data_r4o6nsf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-05-14
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4o6n 
_cell.length_a      46.3290 
_cell.length_b      90.6700 
_cell.length_c      106.4440 
_cell.angle_alpha   90.0000 
_cell.angle_beta    92.0740 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97910 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.100 
_diffrn_reflns.pdbx_d_res_low    106.374 
_diffrn_reflns.limit_h_max       22 
_diffrn_reflns.limit_h_min       -22 
_diffrn_reflns.limit_k_max       43 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       50 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            51383 
_diffrn_reflns.pdbx_number_obs   50389 
# 
_entry.id   4o6n 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4o6n 
_symmetry.space_group_name_H-M   'P 1 21 1' 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'       
2 '-X,  Y+1/2,  -Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -22    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22    0    2 o   37.610   23.109   3.1230   4.3539   3.1230   4.3539   3.1230   4.3539   37.610   23.109   37.610   23.109 0.000000 0.000000 
1 1 1  -22    0    3 o  102.714   29.892   21.000   6.9041   21.000   6.9041   21.000   6.9041  102.714   29.892  102.714   29.892 0.000000 0.000000 
1 1 1  -22    0    4 o   71.176   26.114   10.549   4.4474   10.549   4.4474   10.549   4.4474   71.176   26.114   71.176   26.114 0.000000 0.000000 
1 1 1  -22    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22    1    1 o   58.993   22.432   5.8020   4.7386   5.8020   4.7386   0.0000   0.0000   58.993   22.432  ?   ?  0.000000 22.43241 
1 1 1  -22    1    2 o   50.608   21.900   2.5730   5.2785   2.5730   5.2785   0.0000   0.0000   50.608   21.900  ?   ?  0.000000 21.90028 
1 1 1  -22    1    3 o   54.002   18.425   4.6199   3.0917   4.6760   6.0638   4.6002   3.5939   56.722   23.978   54.025   19.730 2.696327 31.05167 
1 1 1  -22    1    4 o   44.146   18.705   1.7503   3.7042   0.0000   0.0000   1.7503   3.7042  ?   ?    44.146   18.705 0.000000 18.70543 
1 1 1  -22    1    5 o   66.111   23.241   7.9929   4.9339   16.960   7.6922   1.7250   6.4311   88.091   29.051   51.046   23.013 37.04490 37.06105 
1 1 1  -22    2    1 o  118.243   24.741   25.300   7.3344   25.300   7.3344   0.0000   0.0000  118.243   24.741  ?   ?  0.000000 24.74099 
1 1 1  -22    2    2 o   44.076   18.966   1.4654   3.9141   5.8510   5.9237  -1.9330   5.2146   59.494   24.292   41.608   19.457 17.88602 31.12324 
1 1 1  -22    2    3 o   58.879   24.369   5.6140   6.0663   0.0000   0.0000   5.6140   6.0663  ?   ?    58.879   24.369 0.000000 24.36871 
1 1 1  -22    2    4 o   23.755   11.903  -7.7975   3.1325  -4.1370   6.2837  -9.0080   3.6135   42.034   20.144   25.303   12.694 16.73102 23.80966 
1 1 1  -22    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22    3    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21    0    1 o   25.648   17.339  -0.9473   3.3807  -0.9473   3.3807  -0.9473   3.3807   25.648   17.339   25.648   17.339 0.000000 0.000000 
1 1 1  -21    0    2 o   83.348   20.562   11.413   3.8434   11.413   3.8434   11.413   3.8434   83.348   20.562   83.348   20.562 -0.000000 0.000000 
1 1 1  -21    0    3 o   43.739   23.707   4.3858   3.7678   4.3858   3.7678   4.3858   3.7678   43.739   23.707   43.739   23.707 -0.000000 0.000000 
1 1 1  -21    0    4 o   37.934   22.787   2.8802   4.0343   2.8802   4.0343   2.8802   4.0343   37.934   22.787   37.934   22.787 -0.000000 0.000000 
1 1 1  -21    0    5 o   67.048   33.576   11.810   7.1337   11.810   7.1337   11.810   7.1337   67.048   33.576   67.048   33.576 -0.000000 0.000000 
1 1 1  -21    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21    0    7 o   36.732   23.430   1.9408   4.9416   1.9408   4.9416   1.9408   4.9416   36.732   23.430   36.732   23.430 0.000000 0.000000 
1 1 1  -21    0    8 o   69.761   30.389   11.183   5.6970   11.183   5.6970   11.183   5.6970   69.761   30.389   69.761   30.389 -0.000000 0.000000 
1 1 1  -21    0    9 o   52.931   29.117   7.2710   5.7721   7.2710   5.7721   7.2710   5.7721   52.931   29.117   52.931   29.117 -0.000000 0.000000 
1 1 1  -21    0   10 o   49.373   28.454   6.2880   5.8532   6.2880   5.8532   6.2880   5.8532   49.373   28.454   49.373   28.454 -0.000000 0.000000 
1 1 1  -21    0   11 o   25.185   18.120  -7.7786   5.7994  -7.7786   5.7994  -7.7786   5.7994   25.185   18.120   25.185   18.120 0.000000 0.000000 
1 1 1  -21    0   12 o   40.207   27.163   1.0040   8.2712   1.0040   8.2712   1.0040   8.2712   40.207   27.163   40.207   27.163 0.000000 0.000000 
1 1 1  -21    0   13 o   41.921   28.956   0.0661   10.605   0.0661   10.605   0.0661   10.605   41.921   28.956   41.921   28.956 -0.000000 0.000000 
1 1 1  -21    0   14 o   62.091   33.204   11.326   7.2991   11.326   7.2991   11.326   7.2991   62.091   33.204   62.091   33.204 0.000000 0.000000 
1 1 1  -21    0   15 o   32.563   22.764  -3.0423   7.0962  -3.0423   7.0962  -3.0423   7.0962   32.563   22.764   32.563   22.764 -0.000000 0.000000 
1 1 1  -21    0   16 o   37.173   25.291   0.4691   7.4302   0.4691   7.4302   0.4691   7.4302   37.173   25.291   37.173   25.291 -0.000000 0.000000 
1 1 1  -21    0   17 o   31.379   22.229  -4.6554   7.5030  -4.6554   7.5030  -4.6554   7.5030   31.379   22.229   31.379   22.229 -0.000000 0.000000 
1 1 1  -21    1    1 o   44.123   17.689   1.9845   3.0763   2.5010   4.8467   1.6360   3.9809   51.483   21.582   46.318   19.496 5.165459 29.08390 
1 1 1  -21    1    2 o   43.145   15.030   2.5116   2.0614   1.4923   2.8027   3.7130   3.0426   41.133   16.742   51.230   18.225 -10.09716 24.74795 
1 1 1  -21    1    3 o   72.892   15.109   7.8126   2.7590   7.0759   3.8529   8.5879   3.9526   66.694   20.402   73.453   20.162 -6.758911 28.68354 
1 1 1  -21    1    4 o   41.386   17.326   1.1901   3.1171  -1.4283   3.7362   7.1860   5.6538   37.402   17.125   66.352   24.657 -28.95073 30.02046 
1 1 1  -21    1    5 o   36.221   16.322  -0.7710   3.2305   0.1419   3.9858  -2.5190   5.5154   42.171   18.619   43.220   20.143 -1.049580 27.43036 
1 1 1  -21    1    6 o   91.741   16.659   12.579   3.8129   14.308   5.4111   10.874   5.3736   92.847   22.691   79.464   24.048 13.38293 33.06387 
1 1 1  -21    1    7 f  108.246   15.389   17.128   4.1934   18.420   5.9005   15.810   5.9608  106.206   22.164   96.284   23.988 9.922363 32.66044 
1 1 1  -21    1    8 o  107.298   16.299   17.090   4.3877   19.332   6.1655   14.789   6.2455  108.075   22.744   91.165   25.467 16.91074 34.14431 
1 1 1  -21    1    9 o   71.722   25.744   9.1909   6.0840   9.1909   6.0840   0.0000   0.0000   71.722   25.744  ?   ?  0.000000 25.74431 
1 1 1  -21    1   10 o   70.296   21.936   8.2990   4.4292   7.1584   6.2465   9.4524   6.2813   65.312   25.511   72.080   26.120 -6.767975 36.51144 
1 1 1  -21    1   11 o   46.745   20.096   1.5641   4.3864   6.4214   6.1341  -3.5187   6.2749   62.944   25.064   43.878   20.772 19.06668 32.55256 
1 1 1  -21    1   12 f   45.071   21.026  -1.9940   6.0317  -3.9140   7.8931   0.7012   9.3515   48.047   22.902   56.732   26.370 -8.685349 34.92682 
1 1 1  -21    1   13 f   74.481   28.015   11.124   7.3419   10.670   11.462   11.440   9.5609   71.490   31.568   73.310   30.488 -1.819191 43.88682 
1 1 1  -21    1   14 o   83.267   23.267   12.325   5.2125   3.3159   7.2081   22.201   7.5467   56.248   24.926  108.038   27.033 -51.78998 36.77058 
1 1 1  -21    1   15 o   62.337   23.719   6.7962   5.2998   6.6429   7.3676   6.9606   7.6293   62.438   26.414   63.212   26.818 -0.7740288 37.64193 
1 1 1  -21    1   16 o   66.569   24.226   8.2752   5.4114   8.9305   7.4518   7.5440   7.8713   66.852   27.265   63.807   27.161 3.044914 38.48472 
1 1 1  -21    1   17 o  108.377   22.417   20.606   6.0856   26.062   8.7855   15.573   8.4376  109.475   30.063   80.646   30.091 28.82898 42.53544 
1 1 1  -21    2    1 o   91.649   19.089   12.977   4.3846   8.2030   6.4535   17.070   5.9755   69.725   26.257  101.689   23.199 -31.96453 35.03741 
1 1 1  -21    2    2 o  180.984   13.724   46.275   6.3859   27.190   8.8435   67.070   9.2310  122.651   28.396  213.730   16.809 -91.07912 32.99834 
1 1 1  -21    2    3 o   61.339   20.755   5.8787   3.9226   2.1380   6.7536   7.7830   4.8187   55.403   24.358   68.659   23.005 -13.25542 33.50420 
1 1 1  -21    2    4 o  130.425   16.465   25.051   5.4386   0.0000   0.0000   25.051   5.4386  ?   ?   130.425   16.465 0.000000 16.46508 
1 1 1  -21    2    5 o   80.726   16.877   9.8243   3.4156   6.6407   4.7515   13.228   4.9132   64.200   22.782   90.441   21.321 -26.24081 31.20249 
1 1 1  -21    2    6 o   80.929   21.077   10.644   4.4622   15.760   8.3347   8.5881   5.2832   88.667   30.253   70.935   24.087 17.73179 38.67029 
1 1 1  -21    2    7 o  114.908   14.764   19.123   4.2929   22.380   6.0336   15.783   6.1093  119.289   20.251   95.499   24.559 23.78971 31.83107 
1 1 1  -21    2    8 o   37.187   17.068  -1.4515   3.7429  -1.4636   5.2623  -1.4390   5.3248   43.749   20.139   44.026   20.263 -0.2767906 28.56863 
1 1 1  -21    2    9 o   89.590   19.446   12.692   4.3833   12.941   6.1844   12.442   6.2135   84.242   25.861   82.389   26.023 1.852554 36.68788 
1 1 1  -21    2   10 o   26.061   13.068  -9.6508   3.8090 -11.1605   5.2414  -7.9613   5.5448   31.655   15.791   35.920   17.602 -4.265049 23.64700 
1 1 1  -21    2   11 o   47.005   20.730   0.9663   4.9276  -0.4729   7.8195   1.9143   6.3463   52.369   24.263   52.832   23.401 -0.4630280 33.70904 
1 1 1  -21    2   12 o   62.441   24.095   6.4840   5.5199   3.9907   6.7108   11.700   9.7063   57.420   24.771   74.231   30.782 -16.81102 39.51104 
1 1 1  -21    2   13 o  103.381   23.378   18.534   6.1135   10.478   7.4380   35.310   10.733   72.507   27.972  129.429   32.157 -56.92208 42.62054 
1 1 1  -21    2   14 o   71.717   23.925   9.3829   5.2120   9.3997   7.2689   9.3651   7.4773   69.291   27.381   69.084   27.619 0.2069778 38.89108 
1 1 1  -21    2   15 o  125.093   18.614   24.808   5.8477   22.968   8.1012   26.809   8.4497  106.263   28.739  116.413   28.297 -10.14985 40.33227 
1 1 1  -21    2   16 o   39.968   18.838  -2.5242   5.0590  -1.9808   6.8825  -3.1628   7.4615   46.462   21.921   46.498   22.192 -0.3623962E-01 31.19376 
1 1 1  -21    2   17 o   72.859   30.964   13.627   10.200   20.200   14.973   7.9350   13.932   76.454   34.726   64.681   30.716 11.77277 46.36116 
1 1 1  -21    3    1 o  143.450   22.249   32.980   7.9996   0.0000   0.0000   32.980   7.9996  ?   ?   143.450   22.249 0.000000 22.24917 
1 1 1  -21    3    2 o   47.204   21.736  -1.4670   6.1373  -1.4670   6.1373   0.0000   0.0000   47.204   21.736  ?   ?  0.000000 21.73628 
1 1 1  -21    3    3 o   82.267   12.953   9.6234   2.6690  -0.8744   7.5916   11.104   2.8510   52.361   24.135   88.562   12.800 -36.20071 27.31868 
1 1 1  -21    3    4 o   36.259   16.392  -0.8780   3.2894  -7.7870   6.9273   1.1334   3.7377   41.754   20.286   43.757   18.673 -2.003407 27.57201 
1 1 1  -21    3    5 o   65.017   18.140   6.5597   3.1709   6.0986   4.3527   7.0811   4.6287   62.026   21.827   65.781   22.544 -3.755024 31.37951 
1 1 1  -21    3    6 o  121.099   29.104   27.400   9.0163   0.0000   0.0000   27.400   9.0163  ?   ?   121.099   29.104 0.000000 29.10427 
1 1 1  -21    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21    3    8 o   54.756   20.425   4.3785   3.8867   8.3287   5.6196   0.7561   5.3815   69.259   24.755   48.337   21.473 20.92173 32.77037 
1 1 1  -21    3    9 o  116.564   15.890   20.102   4.6726   25.670   6.5368   14.286   6.6817  126.936   20.586   87.280   26.895 39.65615 33.86917 
1 1 1  -21    3   10 o   88.444   20.405   12.685   4.5796   14.628   6.5131   10.785   6.4406   88.646   26.397   75.811   26.559 12.83567 37.44530 
1 1 1  -21    3   11 o  118.284   22.918   23.563   6.7682   35.600   9.2083   9.4200   9.9817  141.273   26.126   70.314   30.272 70.95927 39.98695 
1 1 1  -21    3   12 o  105.475   19.407   17.698   5.1068   13.282   7.1317   22.345   7.3161   81.365   27.979  110.773   25.952 -29.40850 38.16146 
1 1 1  -21    3   13 o  100.081   23.782   17.641   6.0744   11.194   7.3785   31.200   10.700   74.249   28.050  117.611   33.504 -43.36210 43.69565 
1 1 1  -21    3   14 o   46.869   21.531  -0.3732   5.9736   16.340   11.959  -5.9296   6.8954   78.462   33.440   42.324   20.486 36.13815 39.21669 
1 1 1  -21    3   15 o   98.595   22.508   16.939   5.6219   26.118   7.9807   7.8969   7.9207  116.781   26.932   64.852   27.409 51.92943 38.42666 
1 1 1  -21    3   16 o   87.776   24.045   14.320   5.6285   21.465   7.7043   6.1409   8.2426  102.133   28.196   60.959   26.852 41.17398 38.93614 
1 1 1  -21    4    1 o   55.303   21.784   4.0884   4.5874   1.2700   6.6785   6.6060   6.3120   53.470   23.827   64.855   25.551 -11.38499 34.93685 
1 1 1  -21    4    2 o  110.698   21.313   19.576   5.8897   7.4110   8.3981   31.350   8.2622   68.169   28.480  137.258   24.119 -69.08868 37.32084 
1 1 1  -21    4    3 o  127.390   19.351   25.018   6.1847   14.340   8.8171   35.360   8.6775   83.993   30.869  146.291   23.711 -62.29842 38.92412 
1 1 1  -21    4    4 o   61.747   17.162   5.8330   2.8437  -2.9950   7.6848   7.2337   3.0610   49.526   23.305   68.747   17.225 -19.22060 28.97969 
1 1 1  -21    4    5 o   81.124   20.289   10.564   4.2525   21.190   8.5190   7.0374   4.9077  104.153   29.966   65.387   23.159 38.76546 37.87218 
1 1 1  -21    4    6 o   61.941   19.424   6.0563   3.4680   12.441   4.8445  -0.6549   4.9668   87.013   21.595   44.163   20.037 42.85050 29.45886 
1 1 1  -21    4    7 o   60.815   19.952   5.8587   3.6301   7.0570   4.9785   4.4984   5.3045   65.164   23.299   57.256   23.131 7.907688 32.83103 
1 1 1  -21    4    8 o   94.476   17.665   13.661   4.1641   11.484   5.7618   16.042   6.0248   79.965   25.031   96.119   24.211 -16.15337 34.82385 
1 1 1  -21    4    9 o   48.581   20.102   2.4794   4.1268   0.2377   5.8217   4.7434   5.8506   48.414   21.854   58.360   24.021 -9.946201 32.47470 
1 1 1  -21    4   10 o  127.179   20.999   26.154   6.6764   27.870   9.1177   24.170   9.8031  119.410   29.621  104.939   32.617 14.47110 44.05980 
1 1 1  -21    4   11 o   62.050   22.568   6.4035   4.6953   9.2972   6.6525   3.5311   6.6280   70.413   26.626   56.313   24.455 14.09943 36.15222 
1 1 1  -21    4   12 o  137.052   16.233   28.204   5.6509   32.988   8.0863   23.638   7.9001  139.123   23.260  111.451   27.527 27.67199 36.03861 
1 1 1  -21    4   13 o   43.747   19.882  -0.3160   4.9175   4.6456   7.1445  -4.7826   6.7787   58.606   25.420   43.327   20.805 15.27949 32.84863 
1 1 1  -21    4   14 o   68.236   25.716   8.9027   6.1922   20.280   12.412   5.1326   7.1448   83.720   34.771   59.124   25.532 24.59688 43.13810 
1 1 1  -21    4   15 o   70.164   24.452   9.3479   5.4561   6.0386   7.7080   12.671   7.7242   60.799   26.387   75.826   28.686 -15.02631 38.97701 
1 1 1  -21    4   16 o   40.059   19.012  -2.9882   5.3232  -5.8939   7.3928   0.1404   7.6711   43.128   20.954   50.746   23.686 -7.618725 31.62460 
1 1 1  -21    5    1 o   71.147   23.950   8.6290   5.2228   12.140   7.7553   5.7150   7.0652   79.443   28.987   63.122   26.226 16.32082 39.09057 
1 1 1  -21    5    2 o   81.155   24.906   11.590   5.7365   18.580   8.4316   5.5650   7.8274   96.629   30.285   63.608   27.080 33.02118 40.62660 
1 1 1  -21    5    3 o   60.789   23.773   5.5697   5.4295  -4.5470   8.0174   14.140   7.3792   48.523   23.116   85.796   28.461 -37.27301 36.66582 
1 1 1  -21    5    4 o  104.242   12.075   15.238   3.2001   5.8680   8.4566   16.804   3.4572   64.645   27.847  109.274   12.435 -44.62915 30.49789 
1 1 1  -21    5    5 o   56.720   18.779   4.9422   3.2131  -0.1691   8.5256   5.7883   3.4689   55.015   25.434   60.634   19.475 -5.618919 32.03400 
1 1 1  -21    5    6 o   64.624   22.100   6.8739   4.4480   15.170   9.1485   4.3057   5.0901   84.325   31.359   56.318   22.691 28.00739 38.70758 
1 1 1  -21    5    7 o   22.775   11.592 -13.6337   3.7540 -12.4600   8.0376 -13.9611   4.2455   40.945   20.277   25.004   12.687 15.94125 23.91867 
1 1 1  -21    5    8 o  116.357   15.280   19.895   4.4941   25.151   6.3493   14.618   6.3618  125.898   20.149   89.211   25.962 36.68719 32.86356 
1 1 1  -21    5    9 o   91.285   24.260   14.720   5.8346   17.730   7.7840   10.860   8.8144   94.086   29.035   73.462   29.768 20.62431 41.58322 
1 1 1  -21    5   10 o  130.046   15.255   24.923   5.0412   16.408   7.0501   33.831   7.2112   92.080   27.474  146.449   19.494 -54.36961 33.68687 
1 1 1  -21    5   11 o   72.289   22.808   9.1657   4.7741   11.599   6.7735   6.7638   6.7298   76.726   27.204   63.382   25.887 13.34324 37.55258 
1 1 1  -21    5   12 o  135.014   16.420   27.552   5.6243   31.218   8.0352   24.030   7.8751  133.756   24.077  112.285   27.333 21.47053 36.42541 
1 1 1  -21    5   13 o  110.827   19.862   19.943   5.4925   26.728   7.7199   12.988   7.8161  121.111   25.418   77.538   28.956 43.57295 38.52981 
1 1 1  -21    5   14 o   74.635   29.105   12.361   8.1197   13.760   12.575   11.360   10.634   72.895   32.574   70.417   30.770 2.478806 44.80914 
1 1 1  -21    5   15 o   50.443   21.827   2.7263   5.2421   5.4774   7.3696  -0.0912   7.4580   59.113   25.729   50.189   23.402 8.923538 34.77961 
1 1 1  -21    5   16 o   84.888   28.479   16.003   7.3848   11.770   13.968   17.645   8.7001   67.857   31.767   84.594   30.728 -16.73679 44.19637 
1 1 1  -21    6    1 o   45.284   20.573  -0.6358   5.2585   4.0940   7.7532  -4.6650   7.1560   60.408   26.339   45.732   21.801 14.67671 34.19081 
1 1 1  -21    6    2 o  129.515   21.025   26.747   6.8116   29.710   9.9270   24.110   9.3638  122.648   31.179  108.919   31.440 13.72854 44.27857 
1 1 1  -21    6    3 o   69.572   25.793   8.4971   6.1794   1.8840   8.8713   14.730   8.6125   58.500   26.632   84.378   30.584 -25.87807 40.55457 
1 1 1  -21    6    4 o  113.847   11.334   18.020   3.2981   19.160   9.2170   17.853   3.5319   94.693   31.816  112.642   12.305 -17.94893 34.11257 
1 1 1  -21    6    5 o   59.273   18.852   5.5062   3.2564   1.2140   8.8057   6.1862   3.5049   57.169   26.218   62.305   19.525 -5.136261 32.68980 
1 1 1  -21    6    6 o   66.616   19.869   7.1799   3.6879   1.6010   9.3337   8.2120   4.0146   58.438   26.871   70.693   20.638 -12.25455 33.88204 
1 1 1  -21    6    7 o  118.290   18.164   21.530   5.3878   12.370   10.374   24.913   6.3047   75.948   31.686  125.233   20.117 -49.28430 37.53226 
1 1 1  -21    6    8 o  162.214   15.857   38.947   6.5776   62.950   9.3381   15.310   9.2665  203.015   17.942   83.010   31.416 120.0049 36.17884 
1 1 1  -21    6    9 o  126.949   15.297   23.786   4.9288   22.037   6.8744   25.636   7.0704  112.263   24.341  123.089   23.022 -10.82622 33.50383 
1 1 1  -21    6   10 o  148.173   14.156   31.873   5.3670   31.825   7.6181   31.919   7.5624  138.400   21.985  138.960   21.721 -0.5599060 30.90520 
1 1 1  -21    6   11 o   40.301   18.632  -1.4789   4.5753  -4.2743   6.2821   1.6788   6.6769   42.386   20.267   52.360   23.541 -9.974182 31.06313 
1 1 1  -21    6   12 o   77.881   23.191   10.905   5.0273   5.3725   7.1133   16.426   7.1059   59.762   25.638   90.172   27.727 -30.41011 37.76421 
1 1 1  -21    6   13 o   55.462   22.500   4.6366   5.0419   12.427   6.9892  -3.8162   7.2803   77.126   27.603   45.501   21.773 31.62476 35.15628 
1 1 1  -21    6   14 o   40.845   20.001  -7.6545   7.1223  -8.9110   11.452  -6.8620   9.0952   49.808   24.580   46.686   22.807 3.121437 33.53101 
1 1 1  -21    6   15 f   62.914   24.275   7.4156   5.6021   1.8129   7.7962   13.397   8.0553   53.120   24.475   75.756   29.142 -22.63536 38.05643 
1 1 1  -21    7    1 o   90.839   25.328   14.772   6.1837   4.2570   8.7908   25.070   8.7000   61.768   27.442  114.349   29.254 -52.58045 40.11030 
1 1 1  -21    7    2 o  127.354   22.778   26.862   7.2382   34.240   10.516   20.220   9.9776  131.295   31.354   94.811   33.065 36.48392 45.56745 
1 1 1  -21    7    3 f   44.259   20.722  -2.5495   5.9476  -1.2360   8.8109  -3.6490   8.0613   53.877   25.225   49.210   23.367 4.667461 34.38480 
1 1 1  -21    7    4 o   62.773   16.402   6.0296   2.6964   4.3330   8.8741   6.2022   2.8302   61.663   27.473   63.410   16.918 -1.747204 32.26400 
1 1 1  -21    7    5 o   42.137   17.393   1.5854   3.0783   1.7950   8.9450   1.5572   3.2786   57.829   26.485   42.823   17.835 15.00563 31.93044 
1 1 1  -21    7    6 o   39.893   17.494   0.3422   3.4639   0.9659   9.5014   0.2466   3.7200   57.479   26.671   40.768   17.994 16.71072 32.17324 
1 1 1  -21    7    7 o   64.694   26.234   7.1210   6.8513   0.0000   0.0000   7.1210   6.8513  ?   ?    64.694   26.234 0.000000 26.23428 
1 1 1  -21    7    8 o   51.736   20.381   3.6625   4.0160   10.370   10.600   2.5383   4.3395   71.268   30.938   48.956   20.465 22.31223 37.09370 
1 1 1  -21    7    9 o   64.637   24.197   7.3222   5.4645   16.000   10.940   4.4376   6.3077   80.371   32.937   57.385   24.368 22.98650 40.97082 
1 1 1  -21    7   10 o  129.557   15.757   25.131   5.1789   23.857   7.2884   26.431   7.3602  114.918   25.180  122.865   23.987 -7.946671 34.77723 
1 1 1  -21    7   11 o   46.359   20.151   1.5582   4.5085   11.547   6.4386  -8.0515   6.3153   76.184   26.562   38.189   18.728 37.99551 32.50073 
1 1 1  -21    7   12 o   40.918   18.793  -0.9183   4.5470   2.2457   6.3921  -4.1592   6.4694   52.163   23.273   42.721   20.464 9.441807 30.99028 
1 1 1  -21    7   13 o   51.829   21.943   3.3852   5.0910   9.2199   7.1062  -2.7672   7.2971   67.456   26.940   46.471   22.115 20.98512 34.85451 
1 1 1  -21    7   14 o   41.824   20.598  -8.8234   7.9038 -26.1900   12.142   3.9450   10.411   42.093   21.367   58.978   27.550 -16.88492 34.86508 
1 1 1  -21    8    1 o   82.608   26.517   12.854   6.4316   13.300   9.2101   12.430   8.9855   78.765   30.917   77.035   30.442 1.730148 43.38894 
1 1 1  -21    8    2 o  124.974   24.348   26.917   7.5987   24.750   11.037   28.870   10.477  101.477   34.811  115.048   33.270 -13.57136 48.15320 
1 1 1  -21    8    3 o   63.281   25.676   6.5208   6.5671   5.9790   9.6291   6.9920   8.9794   64.626   28.716   65.825   28.524 -1.198723 40.47512 
1 1 1  -21    8    4 o   78.762   15.075   9.2348   2.9634   5.9790   9.5535   9.5814   3.1172   64.392   28.608   79.886   15.624 -15.49356 32.59611 
1 1 1  -21    8    5 o   46.426   18.638   2.5152   3.4209   0.0000   0.0000   2.5152   3.4209  ?   ?    46.426   18.638 0.000000 18.63844 
1 1 1  -21    8    6 o   47.925   20.077   2.3254   4.1899   0.0000   0.0000   2.3254   4.1899  ?   ?    47.925   20.077 0.000000 20.07743 
1 1 1  -21    8    7 o   57.322   22.722   5.0126   5.0200  -3.8690   10.688   7.5262   5.6861   53.756   25.892   65.234   24.629 -11.47898 35.73486 
1 1 1  -21    8    8 o   63.031   21.728   6.7424   4.3023   8.8410   10.857   6.3515   4.6859   68.123   30.367   61.372   22.511 6.750694 37.80076 
1 1 1  -21    8    9 f   40.021   18.299  -0.8719   4.2462   8.5340   10.801  -2.5914   4.6180   67.213   30.100   38.441   18.082 28.77205 35.11374 
1 1 1  -21    8   10 o   56.183   23.410   4.5786   5.6521   2.3390   11.596   5.2764   6.4731   59.902   28.321   58.733   24.798 1.169056 37.64354 
1 1 1  -21    8   11 o   62.563   22.629   6.9012   4.7115   5.6090   6.4040   8.4258   6.9562   59.084   24.790   65.960   26.544 -6.875973 36.31988 
1 1 1  -21    8   12 o   90.905   22.145   14.535   5.1663   12.106   7.4185   16.822   7.1991   74.406   28.122   89.355   27.980 -14.94819 39.67040 
1 1 1  -21    8   13 o   65.011   23.717   7.9600   5.1914   16.162   7.6506   0.9609   7.0676   84.553   28.984   50.549   23.295 34.00370 37.18488 
1 1 1  -21    8   14 o   57.048   26.520   3.6361   9.4627 -13.5200   14.300   17.000   12.621   50.515   25.330   73.904   32.855 -23.38853 41.48561 
1 1 1  -21    9    1 o  108.124   26.179   21.438   7.2539   18.030   10.147   25.000   10.374   86.884   32.876  103.595   33.717 -16.71079 47.09220 
1 1 1  -21    9    2 o  111.755   26.543   23.062   7.5694   11.430   11.130   33.070   10.324   72.881   31.670  126.309   31.627 -53.42831 44.75741 
1 1 1  -21    9    3 o   49.193   23.702  -5.1320   8.9727   0.0000   0.0000  -5.1320   8.9727  ?   ?    49.193   23.702 0.000000 23.70200 
1 1 1  -21    9    4 o   92.327   16.265   12.927   3.7478   0.0000   0.0000   12.927   3.7478  ?   ?    92.327   16.265 0.000000 16.26507 
1 1 1  -21    9    5 o  118.868   13.594   20.441   4.1104   10.970   10.696   22.082   4.4523   71.539   31.066  122.980   14.240 -51.44087 34.17442 
1 1 1  -21    9    6 o   61.008   20.505   6.1699   3.8285   2.0100   10.294   6.8376   4.1244   58.735   27.423   63.534   21.283 -4.799217 34.71280 
1 1 1  -21    9    7 o   36.513   17.539  -4.4733   4.8272   11.800   10.282  -9.0742   5.4672   72.335   30.923   34.044   16.835 38.29183 35.20824 
1 1 1  -21    9    8 o   52.996   21.000   4.0877   4.2870   3.8280   10.958   4.1346   4.6582   60.915   28.391   53.668   21.678 7.247593 35.72088 
1 1 1  -21    9    9 o   69.253   22.392   8.5707   4.5800   8.3250   11.783   8.6144   4.9708   66.180   30.342   68.616   23.363 -2.435677 38.29500 
1 1 1  -21    9   10 o   49.557   20.806   2.9344   4.5152   22.850   11.038  -1.0676   4.9481   90.667   34.295   41.955   19.389 48.71272 39.39621 
1 1 1  -21    9   11 o   95.709   25.503   17.651   6.4368   7.2930   12.468   21.415   7.5158   64.006   29.979  102.595   27.654 -38.58948 40.78608 
1 1 1  -21    9   12 o   50.350   21.203   3.2637   4.7125  -1.5253   6.5585   8.3750   6.7756   45.683   21.507   64.635   26.131 -18.95166 33.84356 
1 1 1  -21    9   13 o   38.675   18.975  -7.3260   6.5042 -19.1700   13.983  -4.0559   7.3474   47.486   23.969   44.363   21.393 3.122490 32.12794 
1 1 1  -21   10    1 o   62.875   28.292   5.6700   9.6673   0.0000   0.0000   5.6700   9.6673  ?   ?    62.875   28.292 0.000000 28.29216 
1 1 1  -21   10    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   10    3 o   98.902   35.190   25.710   11.344   25.710   11.344   0.0000   0.0000   98.902   35.190  ?   ?  0.000000 35.19048 
1 1 1  -21   10    4 o   44.993   17.607   2.5634   2.9795   2.3660   10.045   2.5824   3.1200   58.510   27.241   45.448   17.945 13.06236 32.62056 
1 1 1  -21   10    5 o   57.780   19.784   5.4485   3.5647   11.890   10.337   4.5791   3.7976   72.052   30.909   54.228   20.197 17.82412 36.92223 
1 1 1  -21   10    6 o  114.581   36.700   34.920   12.325   34.920   12.325   0.0000   0.0000  114.581   36.700  ?   ?  0.000000 36.69959 
1 1 1  -21   10    7 o   41.609   18.438   0.4955   3.9434   9.8740   11.020  -0.8819   4.2231   67.945   30.418   39.657   18.176 28.28840 35.43436 
1 1 1  -21   10    8 o   40.281   18.364  -0.5525   4.2367 -10.7100   10.687   1.3417   4.6149   47.231   23.388   45.743   20.122 1.487595 30.85296 
1 1 1  -21   10    9 o   52.531   21.274   4.0440   4.4993   9.1880   11.761   3.1621   4.8697   66.029   30.288   50.662   21.456 15.36700 37.11758 
1 1 1  -21   10   10 o   36.512   17.340  -2.9922   4.4420   6.6440   11.622  -4.6407   4.8070   62.505   29.168   35.699   17.237 26.80658 33.88059 
1 1 1  -21   10   11 o   40.174   18.551  -0.9316   4.5162  -3.7890   11.331  -0.3919   4.9243   52.221   25.499   42.581   19.557 9.640480 32.13478 
1 1 1  -21   11    1 o   65.873   26.853   8.3256   7.2237   7.6560   10.139   9.0160   10.295   65.001   29.133   67.043   29.745 -2.042152 41.63522 
1 1 1  -21   11    2 o   82.715   29.093   15.031   7.7321   12.180   11.412   17.450   10.513   71.363   31.506   81.570   32.700 -10.20741 45.40846 
1 1 1  -21   11    3 o   61.543   16.500   5.9606   2.6842   26.010   11.164   4.7305   2.7653   98.178   34.913   54.663   17.371 43.51464 38.99567 
1 1 1  -21   11    4 o   34.237   15.529  -0.6913   2.9803  -9.9750   10.292   0.1585   3.1137   47.033   23.228   37.176   16.433 9.857063 28.45278 
1 1 1  -21   11    5 o  128.116   13.970   24.142   4.5610   5.9560   11.614   27.458   4.9594   62.732   29.235  136.367   14.251 -73.63501 32.52314 
1 1 1  -21   11    6 o   70.463   28.357   10.919   7.9397   1.8980   11.072   20.470   11.392   57.772   27.419   83.906   33.897 -26.13332 43.59833 
1 1 1  -21   11    7 o   63.064   21.864   7.0989   4.3592   16.120   11.441   5.5668   4.7149   75.530   32.462   57.370   22.232 18.16000 39.34539 
1 1 1  -21   11    8 o   46.078   19.759   2.0751   4.2212  -5.7210   11.372   3.3211   4.5460   51.157   25.097   50.201   20.962 0.9559898 32.69963 
1 1 1  -21   11    9 o   52.656   21.493   4.2065   4.6351   0.0677   11.876   4.9502   5.0343   55.856   27.000   55.169   22.445 0.6870651 35.11110 
1 1 1  -21   11   10 o   62.429   23.330   7.4076   5.0757  -5.8780   13.064   9.7698   5.5085   52.570   26.001   69.652   24.550 -17.08249 35.75949 
1 1 1  -21   12    1 o  103.827   28.367   22.399   7.8455   32.910   11.471   13.160   10.754  111.598   35.370   71.824   31.170 39.77444 47.14463 
1 1 1  -21   12    2 o   65.539   27.419   8.7876   7.7992   5.2640   11.447   11.840   10.655   61.273   28.708   69.666   30.612 -8.393101 41.96716 
1 1 1  -21   12    3 o  101.339   14.157   15.283   3.6147   7.0020   11.458   16.199   3.8093   63.011   29.256  104.011   14.536 -40.99990 32.66770 
1 1 1  -21   12    4 o   32.005   15.016  -2.0088   3.1502  -5.6720   10.406  -1.6392   3.3053   49.696   24.302   33.592   15.635 16.10365 28.89694 
1 1 1  -21   12    5 o   41.047   17.950   0.9134   3.6250   3.5940   10.724   0.5676   3.8517   58.357   27.482   40.989   18.190 17.36808 32.95611 
1 1 1  -21   12    6 o  107.933   21.188   20.116   5.7124  -7.5810   12.255   27.804   6.4567   50.885   25.170  128.977   19.972 -78.09232 32.13134 
1 1 1  -21   12    7 f   45.530   19.716   1.9195   4.2839   4.8810   11.240   1.4162   4.6336   59.395   28.021   45.249   20.022 14.14581 34.43882 
1 1 1  -21   12    8 f   46.956   20.435   2.2032   4.6481  -1.1870   11.421   2.8762   5.0886   53.674   26.071   49.463   21.454 4.210960 33.76299 
1 1 1  -21   13    1 o   75.486   29.056   13.781   8.0110   9.3080   11.464   18.050   11.199   64.427   29.682   77.261   32.619 -12.83399 44.10236 
1 1 1  -21   13    2 o   78.211   16.461   9.6947   3.2294  -0.0349   11.326   10.556   3.3692   54.834   26.472   81.680   16.493 -26.84579 31.18968 
1 1 1  -21   13    3 o   47.720   18.671   3.3139   3.3501   6.3400   11.590   3.0380   3.4995   60.835   28.625   46.976   18.854 13.85974 34.27610 
1 1 1  -21   13    4 o   31.095   15.009  -3.8990   3.6360 -10.1900   11.319  -3.1751   3.8395   47.346   23.551   33.219   15.872 14.12725 28.40047 
1 1 1  -20    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20    0    2 o   58.077   24.801   6.8771   3.8041   6.8771   3.8041   6.8771   3.8041   58.077   24.801   58.077   24.801 0.000000 0.000000 
1 1 1  -20    0    3 o   25.899   17.511  -1.1563   3.4501  -1.1563   3.4501  -1.1563   3.4501   25.899   17.511   25.899   17.511 -0.000000 0.000000 
1 1 1  -20    0    4 o   25.370   17.851  -4.2700   4.5796  -4.2700   4.5796  -4.2700   4.5796   25.370   17.851   25.370   17.851 0.000000 0.000000 
1 1 1  -20    0    5 o   59.731   27.436   7.7433   4.6478   7.7433   4.6478   7.7433   4.6478   59.731   27.436   59.731   27.436 -0.000000 0.000000 
1 1 1  -20    0    6 o   23.978   16.895  -4.0600   4.1479  -4.0600   4.1479  -4.0600   4.1479   23.978   16.895   23.978   16.895 0.000000 0.000000 
1 1 1  -20    0    7 o   83.002   28.376   13.026   5.4778   13.026   5.4778   13.026   5.4778   83.002   28.376   83.002   28.376 -0.000000 0.000000 
1 1 1  -20    0    8 o   40.170   25.030   2.6270   5.2851   2.6270   5.2851   2.6270   5.2851   40.170   25.030   40.170   25.030 -0.000000 0.000000 
1 1 1  -20    0    9 o   63.994   30.642   9.5061   5.8437   9.5061   5.8437   9.5061   5.8437   63.994   30.642   63.994   30.642 -0.000000 0.000000 
1 1 1  -20    0   10 o   73.946   31.572   12.024   6.1647   12.024   6.1647   12.024   6.1647   73.946   31.572   73.946   31.572 -0.000000 0.000000 
1 1 1  -20    0   11 o   39.295   25.495   1.5933   6.1804   1.5933   6.1804   1.5933   6.1804   39.295   25.495   39.295   25.495 -0.000000 0.000000 
1 1 1  -20    0   12 o  101.280   32.402   19.859   7.4939   19.859   7.4939   19.859   7.4939  101.280   32.402  101.280   32.402 -0.000000 0.000000 
1 1 1  -20    0   13 o   77.981   41.787   18.750   11.583   18.750   11.583   18.750   11.583   77.981   41.787   77.981   41.787 -0.000000 0.000000 
1 1 1  -20    0   14 o   33.612   23.270  -3.0229   6.9495  -3.0229   6.9495  -3.0229   6.9495   33.612   23.270   33.612   23.270 0.000000 0.000000 
1 1 1  -20    0   15 o   93.434   34.858   18.900   7.8572   18.900   7.8572   18.900   7.8572   93.434   34.858   93.434   34.858 -0.000000 0.000000 
1 1 1  -20    0   16 o  108.422   32.586   22.781   7.9763   22.781   7.9763   22.781   7.9763  108.422   32.586  108.422   32.586 0.000000 0.000000 
1 1 1  -20    0   17 o   29.338   21.012  -8.3336   7.4248  -8.3336   7.4248  -8.3336   7.4248   29.338   21.012   29.338   21.012 0.000000 0.000000 
1 1 1  -20    0   18 o   39.878   26.852   0.7319   7.9593   0.7319   7.9593   0.7319   7.9593   39.878   26.852   39.878   26.852 -0.000000 0.000000 
1 1 1  -20    0   19 o   74.485   37.126   15.950   8.7050   15.950   8.7050   15.950   8.7050   74.485   37.126   74.485   37.126 0.000000 0.000000 
1 1 1  -20    0   20 o   60.077   34.574   11.405   8.6226   11.405   8.6226   11.405   8.6226   60.077   34.574   60.077   34.574 0.000000 0.000000 
1 1 1  -20    0   21 o   56.100   35.675   11.340   11.349   11.340   11.349   11.340   11.349   56.100   35.675   56.100   35.675 0.000000 0.000000 
1 1 1  -20    0   22 o   67.569   41.438   21.290   13.941   21.290   13.941   21.290   13.941   67.569   41.438   67.569   41.438 0.000000 0.000000 
1 1 1  -20    0   23 o   42.784   30.771  -3.5720   16.662  -3.5720   16.662  -3.5720   16.662   42.784   30.771   42.784   30.771 -0.000000 0.000000 
1 1 1  -20    1    1 o  158.608   13.200   34.720   5.3740   20.200   7.5651   49.510   7.6352  110.362   26.744  187.064   15.908 -76.70177 31.11751 
1 1 1  -20    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20    1    3 f  213.426   17.545   65.610   9.6137   65.610   9.6137   0.0000   0.0000  213.426   17.545  ?   ?  0.000000 17.54511 
1 1 1  -20    1    4 o  106.938   15.150   16.239   4.0791   20.779   5.0497   7.7120   6.9198  120.112   16.681   71.045   27.086 49.06686 31.81035 
1 1 1  -20    1    5 o  196.393   14.503   53.931   7.3255   27.640   10.167   82.320   10.565  123.494   31.640  239.413   17.149 -115.9184 35.98814 
1 1 1  -20    1    6 o  138.821   12.074   26.445   4.2983   25.238   6.0799   27.652   6.0777  130.937   18.436  138.008   17.387 -7.071136 25.34203 
1 1 1  -20    1    7 o   87.277   18.077   11.351   3.9522   16.922   5.5711   5.7065   5.6076  104.648   21.277   63.486   24.340 41.16174 32.32904 
1 1 1  -20    1    8 o  107.447   15.567   16.558   4.2063   14.095   5.9649   18.993   5.9324   92.574   24.495  110.713   21.461 -18.13894 32.56647 
1 1 1  -20    1    9 o   40.464   18.015  -0.4604   3.8089   0.2638   5.1078  -1.3675   5.7165   47.686   21.065   46.766   21.325 0.9204750 29.97416 
1 1 1  -20    1   10 o  101.208   18.267   15.310   4.6127   16.765   6.3479   13.683   6.7143  100.736   24.551   88.674   26.892 12.06202 36.41334 
1 1 1  -20    1   11 o   59.400   21.702   5.1472   4.3488   7.5750   6.0900   2.6211   6.2121   68.838   25.589   55.998   23.990 12.84005 35.07524 
1 1 1  -20    1   12 o   51.302   22.692   0.8294   5.9466  -6.9900   7.6410   12.840   9.4699   45.570   21.935   81.853   31.567 -36.28359 38.43969 
1 1 1  -20    1   13 o   71.043   27.686   8.4213   7.3438   4.6350   11.276   11.210   9.6774   67.665   30.492   77.696   31.294 -10.03110 43.69247 
1 1 1  -20    1   14 o   52.998   21.980   2.9332   4.9499  -0.6877   6.8370   6.9217   7.1757   50.884   23.249   66.847   26.939 -15.96259 35.58355 
1 1 1  -20    1   15 o   96.437   21.881   15.067   5.3406   17.335   7.2241   12.335   7.9307   97.678   27.426   80.410   29.317 17.26804 40.14595 
1 1 1  -20    1   16 o  125.254   18.864   24.015   5.9306   27.787   8.1423   19.753   8.6555  127.100   25.617   99.690   30.593 27.40978 39.90155 
1 1 1  -20    1   17 o   47.455   21.190   0.3790   5.3114   5.3955   7.3179  -5.2056   7.7212   62.393   26.356   46.832   22.413 15.56135 34.59743 
1 1 1  -20    1   18 o   81.882   24.998   12.030   5.7880   21.089   8.5453   4.3503   7.8676  102.510   30.163   60.588   26.472 41.92176 40.13181 
1 1 1  -20    1   19 o   63.754   24.918   6.7924   5.9619   8.6834   8.7080   5.1239   8.1795   68.938   28.916   61.842   27.006 7.095737 39.56585 
1 1 1  -20    1   20 o   47.762   21.595   0.3284   5.7109   5.1627   8.1667  -4.2978   7.9890   61.258   26.862   47.622   22.793 13.63532 35.22890 
1 1 1  -20    1   21 o   62.010   27.252   5.8769   8.4469   18.330   11.236 -10.3100   12.810   83.295   33.659   52.178   25.796 31.11657 42.40714 
1 1 1  -20    1   22 o   52.494   24.215   1.0051   7.6647   19.590   13.531  -7.7758   9.3008   79.707   34.773   46.632   22.840 33.07462 41.60321 
1 1 1  -20    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20    2    1 o  128.055   16.116   23.400   5.2272   18.150   7.6015   28.110   7.1997  103.309   27.796  136.352   21.063 -33.04345 34.87552 
1 1 1  -20    2    2 o   85.542   17.462   10.765   3.7383   0.0000   0.0000   10.765   3.7383  ?   ?    85.542   17.462 0.000000 17.46209 
1 1 1  -20    2    3 o   70.090   17.200   7.2691   3.0994   9.2361   3.9075   3.9320   5.0895   78.040   19.411   57.514   22.853 20.52612 29.98379 
1 1 1  -20    2    4 o   42.219   16.991   1.5659   2.8505   0.9824   4.0056   2.1646   4.0572   45.394   19.350   49.095   20.081 -3.700832 27.88718 
1 1 1  -20    2    5 o  215.942   11.010   63.175   6.1381   60.985   7.4227   67.910   10.916  209.611   13.747  213.610   19.960 -3.999146 24.23592 
1 1 1  -20    2    6 o   58.211   21.506   4.6981   4.2889   2.4680   7.7532   5.6814   5.1484   60.152   26.280   62.878   23.497 -2.726078 35.25256 
1 1 1  -20    2    7 o   92.987   16.911   12.660   3.9233   9.1456   5.6028   16.041   5.4955   74.899   24.798  101.528   21.562 -26.62878 32.86112 
1 1 1  -20    2    8 f   88.237   18.145   11.641   4.0088   7.3164   5.6566   16.005   5.6821   68.409   24.788  100.592   22.384 -32.18307 33.39847 
1 1 1  -20    2    9 o   85.534   19.758   11.246   4.2893   10.448   6.0200   12.069   6.1130   78.757   25.686   84.400   25.673 -5.643150 36.31693 
1 1 1  -20    2   10 o   95.322   19.125   13.799   4.5579   12.839   6.4213   14.774   6.4707   86.263   26.329   93.047   25.897 -6.784447 36.93047 
1 1 1  -20    2   11 o   78.713   22.295   10.022   4.7522   10.859   6.7015   9.1744   6.7399   78.856   27.121   73.641   27.000 5.214180 38.26966 
1 1 1  -20    2   12 o   58.221   23.431   4.3212   5.4211   6.8711   6.4047  -2.1210   10.180   66.635   25.887   57.729   27.055 8.906345 37.44471 
1 1 1  -20    2   13 o   41.105   19.206  -2.8683   5.0636  -5.3314   6.2205   1.9700   8.7181   42.275   20.201   59.803   26.893 -17.52825 33.63441 
1 1 1  -20    2   14 o   71.808   23.439   8.5898   5.0121   10.686   6.8235   6.1334   7.3862   77.141   27.309   65.117   26.915 12.02355 38.34326 
1 1 1  -20    2   15 f  153.159   15.926   34.187   6.2260   38.025   8.6822   30.123   8.9331  153.751   22.463  130.729   27.263 23.02205 35.32490 
1 1 1  -20    2   16 o   43.455   20.028  -1.6462   5.2260   0.5383   7.2063  -4.0695   7.5899   53.347   24.176   47.946   22.740 5.400623 33.19032 
1 1 1  -20    2   17 o  121.842   19.107   22.969   5.8319   23.622   8.1208   22.274   8.3805  113.234   27.874  107.696   29.274 5.538208 40.42175 
1 1 1  -20    2   18 o  158.366   16.548   37.330   6.6881   36.586   9.5516   38.046   9.3680  143.195   26.735  148.154   25.320 -4.959412 36.82193 
1 1 1  -20    2   19 o   97.252   25.050   16.951   6.3489   23.529   8.8571   9.9998   9.1053  107.305   30.452   71.429   29.733 35.87682 42.56013 
1 1 1  -20    2   20 f   79.095   25.791   11.855   6.0691   11.636   8.1689   12.125   9.0671   74.694   29.175   74.919   30.250 -0.2250443 42.02638 
1 1 1  -20    2   21 o   78.840   29.873   13.867   8.3848   9.1670   10.693   21.370   13.510   68.007   30.237   84.027   35.670 -16.02058 46.76199 
1 1 1  -20    2   22 o   51.474   24.373  -1.1773   8.6477  -4.6970   13.429   1.3160   11.303   55.706   27.317   57.992   27.576 -2.286343 38.81570 
1 1 1  -20    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20    3    2 o   66.845   22.694   6.8291   4.6899   3.5590   7.0940   9.3680   6.2507   61.121   25.891   75.844   26.187 -14.72248 36.82574 
1 1 1  -20    3    3 o   60.109   18.858   5.3539   3.2683   8.4140   6.9892   4.4975   3.6975   72.936   27.353   56.608   20.096 16.32801 33.94176 
1 1 1  -20    3    4 f   32.576   14.778  -1.1281   2.7009  -5.1559   3.7412   3.2562   3.9033   31.312   15.140   52.208   20.229 -20.89566 25.26761 
1 1 1  -20    3    5 o   44.631   17.823   1.9270   3.1099   5.3782   4.2944  -1.8785   4.5095   60.795   21.650   40.931   18.768 19.86387 28.65195 
1 1 1  -20    3    6 o  181.859   16.001   47.164   7.4611   27.590   10.688   65.770   10.420  120.519   33.184  210.682   19.309 -90.16226 38.39324 
1 1 1  -20    3    7 o   92.094   24.013   13.842   5.7874   0.0000   0.0000   13.842   5.7874  ?   ?    92.094   24.013 0.000000 24.01287 
1 1 1  -20    3    8 o   86.014   18.855   11.207   4.0851   9.2131   5.6636   13.369   5.8980   74.800   24.940   89.795   24.621 -14.99472 35.04536 
1 1 1  -20    3    9 o   34.204   16.143  -3.2463   3.7370  -6.8280   5.2643   0.3919   5.3058   36.751   17.816   48.584   21.464 -11.83303 27.89489 
1 1 1  -20    3   10 o  174.995   12.177   42.215   5.4854   45.441   7.8120   39.078   7.7042  176.318   17.329  161.944   18.710 14.37321 25.50208 
1 1 1  -20    3   11 o   56.454   23.631   3.3097   5.7976  -5.6440   7.4551   17.010   9.2219   46.482   22.184   92.843   31.821 -46.36079 38.79098 
1 1 1  -20    3   12 o   55.686   21.976   3.9876   4.6766   2.4279   6.5309   5.6290   6.6997   56.020   24.301   63.574   25.882 -7.553986 35.50225 
1 1 1  -20    3   13 o   79.857   23.585   10.695   5.2158   13.936   7.3165   7.3460   7.4377   86.802   28.318   68.184   27.444 18.61864 39.43459 
1 1 1  -20    3   14 o   94.176   26.005   15.608   6.5527   14.170   12.168   16.196   7.7766   81.595   34.201   92.363   29.107 -10.76768 44.90953 
1 1 1  -20    3   15 o   63.531   23.818   6.3861   5.2987   16.734   7.3080  -5.0830   7.6938   95.040   27.874   47.211   22.533 47.82939 35.84258 
1 1 1  -20    3   16 o  106.175   21.696   18.261   5.7655   31.726   8.2365   5.3246   8.0733  137.922   23.922   63.348   27.249 74.57364 36.25974 
1 1 1  -20    3   17 o  206.497   13.081   60.178   6.9609   61.902   9.8652   58.468   9.8233  200.225   19.259  193.590   19.871 6.634750 27.67257 
1 1 1  -20    3   18 o  142.074   18.533   31.099   6.6579   30.904   9.2837   31.306   9.5534  128.189   28.677  127.825   29.458 0.3639145 41.11095 
1 1 1  -20    3   19 f   96.367   24.439   16.474   6.1095   16.539   8.2899   16.397   9.0390   88.268   30.171   85.864   31.300 2.403976 43.47403 
1 1 1  -20    3   20 o   57.267   24.694   4.1829   6.6628   17.790   10.819  -4.1308   8.4568   83.927   33.328   48.792   23.378 35.13564 40.71039 
1 1 1  -20    3   21 o   63.200   26.579   6.9926   7.3892   10.451   8.8461  -0.9916   13.440   70.246   29.279   59.047   28.586 11.19944 40.91967 
1 1 1  -20    3   22 o  105.835   33.283   27.350   10.174   12.310   14.560   41.700   14.222   69.742   32.579  116.488   39.520 -46.74594 51.21732 
1 1 1  -20    4    1 o   68.600   23.474   7.2982   5.0183   6.2140   7.3034   8.2680   6.9072   67.435   27.177   72.436   27.187 -5.000832 38.44091 
1 1 1  -20    4    2 o   64.927   23.259   6.3050   4.9636  -0.0552   7.4226   11.450   6.6758   54.993   24.764   82.251   27.060 -27.25797 36.68125 
1 1 1  -20    4    3 o   91.553   12.335   11.624   2.8507   21.860   7.9974   10.134   3.0512  113.531   27.488   84.362   14.484 29.16923 31.07082 
1 1 1  -20    4    4 o  140.598   13.229   27.441   4.7614   17.000   9.1786   31.285   5.5693   95.134   31.751  149.129   14.605 -53.99511 34.94876 
1 1 1  -20    4    5 o   35.410   15.842  -0.7182   2.9835   2.0448   4.0765  -3.9051   4.3781   48.612   20.035   36.644   17.348 11.96791 26.50181 
1 1 1  -20    4    6 o  172.220   23.948   47.070   10.394   0.0000   0.0000   47.070   10.394  ?   ?   172.220   23.948 0.000000 23.94779 
1 1 1  -20    4    7 o   63.189   20.069   6.0821   3.6917   4.4856   5.0794   7.8697   5.3748   58.629   22.976   70.152   24.280 -11.52295 33.42748 
1 1 1  -20    4    8 o   79.008   19.989   9.6771   4.0940   11.916   5.6987   7.2889   5.8855   84.580   24.559   68.153   25.191 16.42681 35.18139 
1 1 1  -20    4    9 o  138.141   20.185   29.070   7.0096   0.0000   0.0000   29.070   7.0096  ?   ?   138.141   20.185 0.000000 20.18500 
1 1 1  -20    4   10 o  119.625   18.233   21.353   5.4711   28.500   8.8249   16.891   6.9728  128.700   27.317   98.585   26.663 30.11522 38.17190 
1 1 1  -20    4   11 o  173.264   19.167   45.231   8.4583   0.0000   0.0000   45.231   8.4583  ?   ?   173.264   19.167 0.000000 19.16732 
1 1 1  -20    4   12 o   95.665   20.627   14.390   4.9610   17.069   6.8956   11.515   7.1427   98.723   26.437   79.700   27.966 19.02351 38.48426 
1 1 1  -20    4   13 o   47.132   20.578   0.8899   4.7472   3.0454   6.4147  -1.7201   7.0585   56.704   24.337   49.912   23.099 6.792015 33.55366 
1 1 1  -20    4   14 o   95.762   26.059   16.200   6.6364   9.9590   12.373   18.721   7.8631   74.708   32.904   99.881   28.805 -25.17322 43.73056 
1 1 1  -20    4   15 f   59.316   23.386   5.0768   5.2916   1.2826   7.3550   9.1482   7.6189   54.971   24.712   71.666   28.123 -16.69449 37.43810 
1 1 1  -20    4   16 o   82.836   24.526   12.039   5.6345   10.993   8.0000   13.069   7.9372   75.674   29.058   81.272   29.376 -5.597969 41.31970 
1 1 1  -20    4   17 o   38.968   18.474  -3.6788   4.9986  -6.4487   6.7967  -0.4155   7.3772   42.309   20.445   51.747   23.829 -9.437817 31.39838 
1 1 1  -20    4   18 o   44.955   20.603  -0.8997   5.4249  -1.3743   7.8952  -0.4753   7.4667   51.328   23.982   51.532   23.816 -0.2043533 33.79859 
1 1 1  -20    4   19 o   68.449   27.966   8.7732   7.8570   0.0000   0.0000   8.7732   7.8570  ?   ?    68.449   27.966 0.000000 27.96552 
1 1 1  -20    4   20 o   57.152   25.994   2.7619   8.4245   16.290   11.187 -14.9600   12.804   79.876   33.078   49.642   24.750 30.23420 41.31303 
1 1 1  -20    4   21 o   79.389   25.792   12.330   6.0719   8.4084   8.2918   16.864   8.9161   65.946   27.967   84.379   31.037 -18.43237 41.77837 
1 1 1  -20    4   22 o   82.357   32.069   17.777   9.8471   17.450   14.900   18.030   13.121   74.193   34.054   76.684   33.823 -2.490982 47.99671 
1 1 1  -20    5    1 o  128.157   18.661   24.287   6.0131   18.760   8.6745   29.400   8.3427  101.431   30.523  135.303   24.715 -33.87241 39.27395 
1 1 1  -20    5    2 o   55.616   22.846   3.1973   5.2790   4.0190   7.8629   2.5230   7.1231   63.271   27.044   58.712   25.424 4.558365 37.11843 
1 1 1  -20    5    3 o   22.337   10.833  -3.0622   1.9513   6.0240   7.4758  -3.7265   2.0214   66.843   27.291   21.710   10.636 45.13336 29.29009 
1 1 1  -20    5    4 f   43.171   16.985   1.9089   2.7857   2.8300   7.9015   1.7782   2.9769   60.904   26.571   43.444   17.406 17.45924 31.76489 
1 1 1  -20    5    5 o   39.278   16.861   0.4442   3.0796   0.6117   8.1992   0.4167   3.3228   57.704   26.002   40.436   17.437 17.26843 31.30766 
1 1 1  -20    5    6 o  160.344   26.582   42.720   10.654   0.0000   0.0000   42.720   10.654  ?   ?   160.344   26.582 0.000000 26.58212 
1 1 1  -20    5    7 o   76.103   19.743   8.9609   3.9251   9.1749   5.4982   8.7384   5.6052   74.593   24.559   72.952   24.810 1.641266 34.90924 
1 1 1  -20    5    8 o   48.195   19.740   2.1731   3.9270   6.8453   5.4081  -3.0385   5.7117   66.290   24.204   43.791   20.439 22.49919 31.67940 
1 1 1  -20    5    9 f   42.065   18.974  -0.8451   4.3792  -2.9520   6.6555   0.7634   5.8154   47.297   22.072   50.848   22.468 -3.550266 31.49544 
1 1 1  -20    5   10 o   47.189   20.541   0.8793   4.6982   1.3151   5.6856  -0.0590   8.3426   51.464   22.494   56.207   25.681 -4.742523 34.13895 
1 1 1  -20    5   11 o   68.843   23.135   7.7165   4.8736   12.324   6.8505   2.9951   6.9350   82.719   27.422   57.992   25.099 24.72776 37.17396 
1 1 1  -20    5   12 o   67.175   23.402   7.3398   4.9972  -0.3665   7.0199   15.257   7.1152   51.923   23.659   91.463   27.671 -39.53975 36.40598 
1 1 1  -20    5   13 o  152.445   22.111   37.107   8.4762   0.0000   0.0000   37.107   8.4762  ?   ?   152.445   22.111 0.000000 22.11060 
1 1 1  -20    5   14 o   60.239   25.779   4.2600   7.1592   3.9800   10.821   4.4780   9.5474   64.976   29.516   64.087   28.529 0.8885651 41.04986 
1 1 1  -20    5   15 o   83.480   24.505   12.180   5.6459   15.229   7.8498   8.9120   8.1264   87.941   29.363   70.820   28.623 17.12068 41.00518 
1 1 1  -20    5   16 o   49.597   21.675   1.4954   5.2777   15.390   7.5860 -11.5392   7.3474   88.528   28.833   39.513   19.535 49.01504 34.82717 
1 1 1  -20    5   17 f   45.611   20.662  -0.2869   5.2578   1.9092   6.9130  -3.3004   8.0981   54.245   24.202   49.605   23.516 4.639679 33.74531 
1 1 1  -20    5   18 o   50.929   22.454   1.7449   5.7766  -5.9593   7.9169   10.517   8.4475   45.899   22.153   72.550   29.232 -26.65021 36.67722 
1 1 1  -20    5   19 o   96.256   26.923   17.758   6.9756   13.550   10.834   20.738   9.1168   76.007   32.086   96.320   31.620 -20.31264 45.04792 
1 1 1  -20    5   20 o   41.899   20.083  -4.4401   6.2532 -10.4271   7.4328   10.060   11.567   39.823   19.681   69.188   31.056 -29.36487 36.76663 
1 1 1  -20    5   21 o   53.803   25.146   0.7291   8.6910   0.7291   8.6910   0.0000   0.0000   53.803   25.146  ?   ?  0.000000 25.14600 
1 1 1  -20    5   22 o   55.320   25.907   1.8879   9.3048   1.0270   15.419   2.3810   11.669   60.093   29.427   58.332   27.816 1.760197 40.49321 
1 1 1  -20    6    1 o   39.995   18.832  -3.7594   5.0327  -3.4990   6.9883  -4.0400   7.2539   48.102   22.503   48.274   22.693 -0.1723480 31.95838 
1 1 1  -20    6    2 o   69.987   25.126   7.7837   5.7954   3.2450   8.3108   12.080   8.0858   62.399   27.237   82.262   29.662 -19.86235 40.27001 
1 1 1  -20    6    3 o   53.213   22.766   1.9947   5.5808   1.9320   8.1490   2.0500   7.6587   59.696   26.476   58.778   25.887 0.9182472 37.02884 
1 1 1  -20    6    4 o   57.788   17.832   4.9550   2.9362   11.000   8.3092   4.0925   3.1387   79.010   29.786   53.680   18.555 25.32985 35.09278 
1 1 1  -20    6    5 o  126.142   12.645   22.082   4.0760   29.050   10.062   20.714   4.4581  125.843   31.058  120.882   14.529 4.961464 34.28799 
1 1 1  -20    6    6 o   87.820   19.947   11.913   4.4342   12.960   9.0082   11.578   5.0940   83.211   31.084   84.538   22.758 -1.327423 38.52431 
1 1 1  -20    6    7 o   69.789   23.385   7.8552   4.9792   6.2780   9.7380   8.4136   5.7939   69.170   29.840   71.501   25.180 -2.330933 39.04430 
1 1 1  -20    6    8 o   34.330   16.367  -4.0868   4.0357  -4.5610   5.8901  -3.6673   5.5406   42.175   20.011   42.027   19.780 0.1472130 28.13736 
1 1 1  -20    6    9 o   44.706   19.840   0.0112   4.5824  -1.3837   5.7061   2.5450   7.6903   46.267   21.177   58.898   25.941 -12.63121 33.48664 
1 1 1  -20    6   10 o   55.767   21.485   4.2155   4.3832   2.2148   6.2021   6.2120   6.1956   54.645   23.693   64.357   25.327 -9.711811 34.68172 
1 1 1  -20    6   11 o   68.885   22.674   7.7501   4.6866   4.8297   6.7149   10.524   6.5442   61.309   25.528   76.981   26.783 -15.67257 36.99978 
1 1 1  -20    6   12 o  120.965   17.740   21.937   5.3935   24.703   7.7009   19.273   7.5563  120.242   25.515  103.012   27.712 17.22932 37.66935 
1 1 1  -20    6   13 f  110.657   19.436   18.956   5.3676   23.146   7.5705   14.722   7.6116  115.335   25.966   87.577   28.899 27.75828 38.85057 
1 1 1  -20    6   14 o  144.194   25.667   35.763   9.2354   17.950   13.073   53.510   13.049   85.645   35.637  167.449   31.233 -81.80404 47.38612 
1 1 1  -20    6   15 o  102.658   21.635   17.184   5.5718   11.352   7.7518   23.418   8.0141   76.574   28.789  112.926   27.625 -36.35139 39.89925 
1 1 1  -20    6   16 o   46.611   21.145  -0.2686   5.5287  -0.0095   7.6498  -0.5519   7.9994   52.897   24.324   52.936   24.531 -0.3953934E-01 34.54601 
1 1 1  -20    6   17 o  155.886   16.132   36.132   6.4195   35.975   9.0306   36.293   9.1274  143.400   25.233  143.728   25.448 -0.3275299 35.83705 
1 1 1  -20    6   18 o   45.691   20.845  -0.4005   5.4709   2.7518   7.6639  -3.6762   7.8122   56.425   25.306   47.857   22.804 8.567757 34.06499 
1 1 1  -20    6   19 o   47.867   22.679  -2.6834   7.5100  -2.3560   9.8013  -3.1490   11.688   53.196   25.402   55.577   26.846 -2.381031 36.95874 
1 1 1  -20    6   20 o  140.112   19.236   31.510   6.7971   34.819   9.5428   28.103   9.6838  132.918   28.567  112.247   31.837 20.67097 42.77475 
1 1 1  -20    6   21 o   92.440   26.246   16.905   6.5778   17.930   9.5283   15.971   9.0919   83.648   31.809   80.204   30.931 3.443672 44.36814 
1 1 1  -20    7    1 o  105.753   23.817   18.143   6.3672   12.550   8.7926   24.310   9.2327   82.628   30.740  115.305   30.458 -32.67719 43.27407 
1 1 1  -20    7    2 o   53.826   23.329   1.7844   6.0083  -8.1890   8.4568   11.950   8.5379   47.272   22.834   81.147   30.271 -33.87513 37.91796 
1 1 1  -20    7    3 o   66.848   25.560   6.8248   6.1732   11.340   8.8789   2.6000   8.5887   79.373   30.579   61.422   27.214 17.95130 40.93478 
1 1 1  -20    7    4 o   65.152   17.851   6.4195   3.1017  -0.9712   8.9930   7.4174   3.3045   56.897   26.240   69.904   18.105 -13.00697 31.88020 
1 1 1  -20    7    5 o  100.775   15.040   14.588   3.8058   18.600   9.7497   13.867   4.1337   96.413   32.721   96.874   17.099 -0.4608002 36.91904 
1 1 1  -20    7    6 o   38.549   17.835  -2.1679   4.2041  -5.6170   9.1663  -1.2491   4.7310   51.632   24.630   42.761   19.460 8.871620 31.39005 
1 1 1  -20    7    7 o   48.075   22.312  -2.3400   6.6553   0.0000   0.0000  -2.3400   6.6553  ?   ?    48.075   22.312 0.000000 22.31219 
1 1 1  -20    7    8 o  119.630   24.298   23.619   7.2723   17.300   11.592   27.720   9.3385   89.111   34.769  123.205   29.626 -34.09377 45.67862 
1 1 1  -20    7    9 o   96.389   18.932   14.222   4.5583   16.327   6.5437   12.238   6.3532   97.225   25.622   83.199   26.318 14.02636 36.73061 
1 1 1  -20    7   10 o   47.135   20.115   1.4718   4.3376  -0.7462   6.1488   3.6689   6.1198   48.608   22.146   57.467   24.179 -8.858913 32.78840 
1 1 1  -20    7   11 o   66.946   22.595   7.3120   4.6488   10.306   6.5945   4.3545   6.5546   75.851   26.848   59.664   25.060 16.18710 36.72562 
1 1 1  -20    7   12 o   56.684   22.328   4.4187   4.8195   3.7727   6.7990   5.0712   6.8328   58.588   25.098   61.489   25.690 -2.900921 35.91485 
1 1 1  -20    7   13 o   56.621   22.903   4.2417   5.2077   1.2489   7.3233   7.3035   7.4072   54.683   24.613   66.901   27.223 -12.21832 36.70007 
1 1 1  -20    7   14 o   51.916   24.346  -2.0502   8.2646  -2.2580   12.438  -1.8860   11.059   59.688   28.533   57.831   27.434 1.856686 39.58279 
1 1 1  -20    7   15 o  125.406   18.944   24.399   5.9619   21.668   8.3851   27.190   8.4784  104.845   29.586  121.755   27.529 -16.90989 40.41264 
1 1 1  -20    7   16 o   68.221   23.916   8.1361   5.2232   22.978   7.2676  -7.7200   7.5118  113.908   25.291   43.086   20.977 70.82195 32.85781 
1 1 1  -20    7   17 o   44.330   20.391  -1.0265   5.3815   1.1365   7.1060  -3.9353   8.2405   52.766   23.950   48.734   23.277 4.032028 33.39790 
1 1 1  -20    7   18 o   68.640   27.461   9.0991   7.3979   14.070   9.4535   1.2450   11.883   78.098   31.110   59.929   28.432 18.16928 42.14511 
1 1 1  -20    7   19 o   45.037   20.754  -0.7190   5.6093   4.0662   7.6642  -6.2392   8.2317   57.677   25.624   45.636   22.159 12.04045 33.87604 
1 1 1  -20    7   20 o   48.015   22.026   0.2723   6.2215   2.1065   8.7074  -1.6407   8.8924   55.436   25.655   51.252   24.396 4.184170 35.40318 
1 1 1  -20    7   21 o   58.561   24.536   5.8513   6.2587   7.9358   8.9124   3.8231   8.7912   63.398   27.924   57.067   26.180 6.330971 38.27749 
1 1 1  -20    8    1 o   69.482   25.992   7.7711   6.3029   4.0850   8.4763   12.330   9.4264   63.524   27.621   81.131   31.437 -17.60666 41.84686 
1 1 1  -20    8    2 o   60.178   25.071   4.2213   6.4816   3.1070   9.1093   5.3640   9.2246   62.893   27.938   66.845   28.939 -3.952549 40.22463 
1 1 1  -20    8    3 o   46.490   17.726   2.6118   2.9637   0.5122   8.9945   2.8676   3.1390   58.682   26.755   48.079   18.264 10.60237 32.39396 
1 1 1  -20    8    4 o  104.651   13.820   15.516   3.6546   0.2836   9.8742   17.934   3.9340   60.081   27.631  112.636   13.770 -52.55503 30.87194 
1 1 1  -20    8    5 f   68.867   20.220   7.4538   3.8436   0.0000   0.0000   7.4538   3.8436  ?   ?    68.867   20.220 0.000000 20.21952 
1 1 1  -20    8    6 o   58.446   24.321   3.9690   6.0896   0.0000   0.0000   3.9690   6.0896  ?   ?    58.446   24.321 0.000000 24.32092 
1 1 1  -20    8    7 o   70.733   20.684   7.9682   4.0293   0.0848   10.501   9.3292   4.3633   60.531   28.070   76.119   21.294 -15.58805 35.23292 
1 1 1  -20    8    8 o   68.425   21.534   7.5442   4.2580  -2.3410   11.241   9.2001   4.6008   59.011   27.895   74.921   22.157 -15.91002 35.62428 
1 1 1  -20    8    9 o   52.855   22.243   2.7101   5.1805 -18.4100   10.553   9.4149   5.9462   44.797   22.356   73.680   25.535 -28.88290 33.93900 
1 1 1  -20    8   10 o   78.786   21.651   10.163   4.5548   9.3580   6.2794   11.056   6.6169   72.985   26.159   78.042   26.943 -5.057281 37.55326 
1 1 1  -20    8   11 o   38.969   18.049  -2.0216   4.3228   9.3243   6.2600 -12.3637   5.9767   72.620   26.109   33.972   16.933 38.64881 31.11931 
1 1 1  -20    8   12 o  130.418   16.493   25.202   5.4473   26.552   7.8516   23.948   7.5638  124.146   25.275  117.269   25.617 6.876953 35.98689 
1 1 1  -20    8   13 o  125.521   17.743   23.888   5.6082   25.695   8.1360   22.253   7.7412  119.452   26.937  110.320   27.250 9.131454 38.31672 
1 1 1  -20    8   14 o   70.519   26.850   9.0743   6.7940   12.640   13.783   7.9298   7.8086   75.797   33.970   67.628   27.783 8.169838 43.88437 
1 1 1  -20    8   15 o   64.084   24.216   6.9410   5.5002   6.1986   7.7386   7.6989   7.8188   63.436   26.965   66.642   27.631 -3.206139 38.60771 
1 1 1  -20    8   16 o   39.917   18.843  -3.0834   5.0970  -2.8190   6.6437  -3.4617   7.9465   45.685   21.550   48.521   23.087 -2.835587 31.58155 
1 1 1  -20    8   17 o  183.481   16.826   51.053   7.9080   62.580   12.954   44.206   9.9843  181.214   28.542  157.429   25.344 23.78510 38.16996 
1 1 1  -20    8   18 o   71.991   26.975   10.415   6.7944   11.292   8.5679   8.9300   11.153   72.195   29.316   67.434   30.362 4.761032 42.20483 
1 1 1  -20    8   19 o   59.811   24.152   6.1022   5.7802   1.8929   7.8291   11.146   8.5699   53.925   24.727   70.901   29.115 -16.97680 38.19780 
1 1 1  -20    8   20 o   42.601   20.077  -2.1418   5.7441   0.3073   7.9811  -4.7737   8.2735   51.382   24.041   46.320   22.426 5.061951 32.87669 
1 1 1  -20    9    1 o   80.217   27.577   11.518   6.9282   16.700   9.8797   6.5050   9.7181   90.323   32.754   68.914   29.769 21.40909 44.26087 
1 1 1  -20    9    2 o   46.826   21.723  -2.2971   6.2977   0.2608   9.6193  -4.2160   8.3315   59.288   27.268   50.623   23.956 8.664913 36.29678 
1 1 1  -20    9    3 o   31.349   13.871  -0.3545   2.2235 -10.3100   9.2140   0.2611   2.2912   47.078   22.989   33.922   14.552 13.15659 27.20742 
1 1 1  -20    9    4 o  105.463   17.168   16.520   4.5287   0.0000   0.0000   16.520   4.5287  ?   ?   105.463   17.168 0.000000 17.16816 
1 1 1  -20    9    5 o   53.649   20.386   3.8964   3.9117 -11.2200   9.9805   6.6398   4.2518   48.296   23.656   64.686   21.610 -16.38988 32.04023 
1 1 1  -20    9    6 o   71.439   22.727   8.4208   4.7325   13.650   10.507   7.0899   5.3006   81.661   32.707   66.196   23.994 15.46542 40.56393 
1 1 1  -20    9    7 o   95.392   18.473   13.908   4.3996   7.7980   11.378   14.982   4.7708   71.274   31.464   98.324   19.421 -27.04924 36.97470 
1 1 1  -20    9    8 o   39.147   17.846  -1.2100   4.0005   0.5180   10.478  -1.5048   4.3284   60.291   27.987   40.068   18.378 20.22317 33.48158 
1 1 1  -20    9    9 o   74.532   21.818   9.1657   4.4814   1.0370   11.854   10.521   4.8406   62.732   29.335   79.363   22.509 -16.63128 36.97532 
1 1 1  -20    9   10 o   48.719   20.422   2.1814   4.3392  -3.0760   10.787   3.1964   4.7396   56.495   26.886   52.688   21.645 3.806904 34.51621 
1 1 1  -20    9   11 o  126.745   20.606   25.468   6.5327   17.440   12.508   28.479   7.6606   84.675   35.014  130.715   23.488 -46.04057 42.16259 
1 1 1  -20    9   12 o   62.923   23.240   6.4591   5.0075   8.8976   7.0451   3.9693   7.1188   70.174   27.181   58.786   25.436 11.38834 37.22632 
1 1 1  -20    9   13 o   35.419   17.198  -6.1251   4.9589  -3.3482   6.9534  -8.9990   7.0739   46.322   21.910   40.578   19.884 5.744358 29.58734 
1 1 1  -20    9   14 o   48.817   22.450  -0.5548   6.5189  -5.8600   12.728   1.3317   7.5899   56.155   27.332   54.377   24.709 1.777325 36.84509 
1 1 1  -20    9   15 o  107.778   21.780   19.361   5.8712   25.678   8.4019   13.333   8.2079  115.456   28.311   79.125   29.648 36.33081 40.99414 
1 1 1  -20    9   16 o   36.731   17.961  -7.3161   5.6839 -12.4000   8.9539  -3.8847   7.3562   42.889   21.268   46.110   22.015 -3.221310 30.61020 
1 1 1  -20    9   17 o   50.659   22.912   1.2390   6.4352  -5.1473   7.9877   13.050   10.863   46.109   22.253   73.652   31.642 -27.54309 38.68389 
1 1 1  -20    9   18 o   59.910   24.436   6.1021   5.9864   14.053   8.5520  -1.5370   8.3825   77.579   29.976   50.504   23.937 27.07523 38.36078 
1 1 1  -20    9   19 o   95.093   25.426   17.471   6.3841   16.034   9.1940   18.809   8.8715   79.564   30.986   87.511   31.122 -7.947571 43.91696 
1 1 1  -20    9   20 o   44.658   21.110  -1.8441   6.4378   5.4759   9.1519  -9.0143   9.0578   59.077   26.955   44.103   21.783 14.97400 34.65635 
1 1 1  -20   10    1 o   86.344   33.358   15.860   10.589   0.0000   0.0000   15.860   10.589  ?   ?    86.344   33.358 0.000000 33.35786 
1 1 1  -20   10    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   10    3 o  102.177   14.508   15.021   3.7320   17.820   10.841   14.644   3.9750   89.984   33.998   99.916   15.891 -9.931931 37.52879 
1 1 1  -20   10    4 o  100.177   15.461   14.647   3.8829   8.6150   10.567   15.588   4.1749   72.005   31.073  102.849   16.208 -30.84334 35.04613 
1 1 1  -20   10    5 o  128.545   13.449   23.391   4.4119   17.610   11.462   24.397   4.7802   88.032   34.510  130.530   14.376 -42.49788 37.38513 
1 1 1  -20   10    6 o   40.551   18.745  -1.9305   4.6281   19.320   10.555  -6.9889   5.1496   93.145   33.843   35.572   17.329 57.57333 38.02179 
1 1 1  -20   10    7 o   46.887   19.518   1.9844   3.9239  -8.9410   11.003   3.5764   4.2001   51.929   25.305   52.713   20.819 -0.7836380 32.76841 
1 1 1  -20   10    8 o   72.245   21.599   8.6191   4.3543   0.8772   11.307   9.9670   4.7182   61.424   28.699   77.139   22.332 -15.71556 36.36421 
1 1 1  -20   10    9 o   55.233   21.654   4.2330   4.5129  -8.8010   11.697   6.5126   4.8917   53.131   25.935   63.310   23.034 -10.17867 34.68694 
1 1 1  -20   10   10 o   53.789   21.759   3.7044   4.7008   0.8176   11.792   4.2499   5.1257   61.453   28.902   56.153   22.719 5.299168 36.76250 
1 1 1  -20   10   11 o   41.624   19.099  -1.2627   4.6812   10.840   11.988  -3.4402   5.0849   73.399   32.354   39.611   18.736 33.78765 37.38765 
1 1 1  -20   10   12 o   83.152   26.460   13.043   6.4146   0.9653   12.777   17.113   7.4170   62.041   29.448   93.505   28.243 -31.46446 40.80283 
1 1 1  -20   10   13 o   62.287   24.966   6.3445   6.1271   12.492   7.2659  -8.7870   11.400   78.869   28.153   51.511   25.241 27.35765 37.81133 
1 1 1  -20   10   14 o   58.699   23.433   5.3661   5.3742   2.6633   7.7325   7.8916   7.4746   56.255   25.309   66.135   27.178 -9.879856 37.13732 
1 1 1  -20   10   15 f   67.322   25.506   8.4276   6.1116   0.1239   9.7349   13.830   7.8518   55.692   26.214   80.158   29.180 -24.46611 39.22505 
1 1 1  -20   10   16 o   99.078   26.617   18.990   6.9767   27.477   8.8866   5.3540   11.264  115.674   29.551   62.782   29.099 52.89245 41.47268 
1 1 1  -20   10   17 o   56.959   23.795   4.9998   5.8612  -0.1578   8.3625   9.9798   8.2173   52.033   24.429   68.576   28.370 -16.54312 37.43879 
1 1 1  -20   10   18 o   57.224   23.800   5.3340   5.8272   5.9707   8.0911   4.6477   8.3993   60.032   26.515   58.103   26.237 1.928196 37.30191 
1 1 1  -20   10   19 o   52.335   23.113   3.2392   6.1466  -1.8064   8.3206   9.3001   9.1193   48.949   23.382   64.945   28.434 -15.99589 36.81351 
1 1 1  -20   11    1 o   49.473   22.697  -0.9066   6.6076 -11.1600   8.9446   11.410   9.8033   45.115   22.158   76.540   31.251 -31.42575 38.30907 
1 1 1  -20   11    2 o   63.653   16.308   6.1202   2.7009   9.0000   10.183   5.9023   2.8013   71.941   30.764   62.240   16.928 9.700886 35.11400 
1 1 1  -20   11    3 o   61.516   18.788   5.8978   3.2689   6.4160   10.740   5.8449   3.4317   68.032   30.273   61.125   19.343 6.906334 35.92536 
1 1 1  -20   11    4 o   36.514   16.516  -0.8667   3.3443   12.920   10.567  -2.4015   3.5255   78.737   32.330   34.169   15.985 44.56775 36.06571 
1 1 1  -20   11    5 o   88.131   22.509   12.972   5.1568   28.130   11.342   9.0225   5.7897  111.661   35.147   71.733   25.178 39.92756 43.23451 
1 1 1  -20   11    6 o   50.143   21.312   2.2183   4.8331  -0.2215   10.424   2.8865   5.4549   58.596   27.435   53.405   22.668 5.190964 35.58826 
1 1 1  -20   11    7 o   52.876   20.702   3.7593   4.1209 -16.7400   11.333   6.8824   4.4236   47.007   23.412   64.679   22.040 -17.67213 32.15422 
1 1 1  -20   11    8 o   30.695   15.025  -6.2678   4.0078  -3.5300   10.320  -6.7541   4.3492   54.547   26.052   31.856   15.606 22.69123 30.36865 
1 1 1  -20   11    9 f   80.224   22.171   10.893   4.7605   14.200   12.167   10.295   5.1729   78.293   33.558   76.634   23.673 1.658875 41.06776 
1 1 1  -20   11   10 o   51.371   21.491   2.9064   4.7913  -9.7590   12.345   5.1527   5.1988   52.912   25.996   58.470   23.140 -5.558010 34.80290 
1 1 1  -20   11   11 o   54.063   22.209   3.7989   4.9894   6.1550   12.823   3.3785   5.4162   66.793   30.989   53.771   22.692 13.02177 38.40915 
1 1 1  -20   11   12 o   45.950   20.526   0.5431   4.9885   3.1100   13.434   0.1325   5.3726   63.711   30.228   46.348   20.951 17.36314 36.77873 
1 1 1  -20   11   13 o   64.029   28.242   6.6143   9.1489   16.780   14.037  -0.8928   12.063   77.795   34.614   58.197   27.895 19.59825 44.45529 
1 1 1  -20   11   14 o   57.424   25.481   3.8957   7.5567   0.0000   0.0000   3.8957   7.5567  ?   ?    57.424   25.481 0.000000 25.48087 
1 1 1  -20   11   15 o   50.276   22.643   1.4479   6.2087  -0.2472   7.8012   4.3770   10.255   51.100   23.863   60.531   27.953 -9.431049 36.75302 
1 1 1  -20   11   16 o   69.891   25.318   9.6205   5.9008   1.4204   8.4123   17.563   8.2793   53.949   25.055   87.120   30.135 -33.17099 39.18999 
1 1 1  -20   11   17 o   64.501   24.592   8.0196   5.7044   11.894   7.7685   3.4865   8.4034   72.292   28.389   56.193   25.712 16.09916 38.30193 
1 1 1  -20   11   18 f   70.149   25.941   10.395   6.2428   14.725   8.9213   6.2398   8.7389   75.523   30.177   59.799   26.904 15.72429 40.42899 
1 1 1  -20   12    1 o   90.359   28.623   15.843   7.5130   12.160   10.378   19.900   10.891   76.749   31.828   92.270   34.235 -15.52095 46.74446 
1 1 1  -20   12    2 o  154.746   10.975   33.033   4.3706   28.450   12.241   33.703   4.6790  107.826   36.664  155.682   11.688 -47.85564 38.48206 
1 1 1  -20   12    3 o   86.043   21.623   12.243   4.8135   15.170   11.526   11.625   5.2975   81.220   33.601   81.901   23.650 -0.6810608 41.08918 
1 1 1  -20   12    4 o   29.290   14.178  -4.4114   3.3024   9.1640   10.610  -5.8676   3.4750   71.036   30.895   28.265   13.868 42.77174 33.86453 
1 1 1  -20   12    5 o   57.448   25.266   3.2156   7.2718   8.6750   11.176  -0.7922   9.5760   70.254   31.090   55.937   26.224 14.31706 40.67264 
1 1 1  -20   12    6 o   88.672   19.933   12.627   4.4669   0.1696   10.987   15.094   4.8893   59.204   27.861   97.049   20.110 -37.84514 34.36073 
1 1 1  -20   12    7 o   70.019   21.977   8.3094   4.4383 -10.8600   11.848   11.438   4.7868   51.284   25.249   82.242   22.028 -30.95792 33.50788 
1 1 1  -20   12    8 o   84.561   21.277   11.917   4.6566   22.800   11.861   9.9335   5.0631   93.625   35.517   75.083   23.458 18.54197 42.56439 
1 1 1  -20   12    9 o   54.946   21.705   4.3515   4.5661  -2.1590   11.679   5.5261   4.9609   57.243   27.440   59.102   22.832 -1.859737 35.69688 
1 1 1  -20   12   10 o   32.908   16.116  -6.7841   4.6278 -15.5700   12.290  -5.3326   4.9955   48.680   24.267   36.296   17.537 12.38384 29.94061 
1 1 1  -20   12   11 o   82.707   24.043   12.412   5.4587   8.1790   13.316   13.267   5.9847   67.936   31.541   84.023   25.368 -16.08672 40.47671 
1 1 1  -20   12   12 o   51.687   22.040   2.9994   5.2000   18.320   13.446   0.3052   5.6387   79.550   34.685   47.062   21.351 32.48748 40.73014 
1 1 1  -20   12   13 o   61.571   26.466   6.2930   7.6068   0.0000   0.0000   6.2930   7.6068  ?   ?    61.571   26.466 0.000000 26.46628 
1 1 1  -20   12   14 o  107.459   24.409   21.092   6.6396   12.930   14.166   23.390   7.5164   70.569   32.681  109.977   26.662 -39.40722 42.17732 
1 1 1  -20   12   15 o   77.313   28.057   13.178   7.2513  -2.4580   15.232   17.761   8.2457   58.094   28.607   87.206   30.079 -29.11243 41.51050 
1 1 1  -20   12   16 o  132.082   18.305   28.101   6.0944   26.832   8.6609   29.345   8.5773  111.226   29.557  119.661   28.144 -8.435631 40.81292 
1 1 1  -20   12   17 o   70.549   25.370   10.379   5.9108   14.754   8.4850   6.2540   8.2385   76.171   29.739   59.304   26.443 16.86614 39.79460 
1 1 1  -20   13    1 o   39.729   16.217   1.4260   2.6390   17.980   10.285   0.2594   2.7304   87.638   33.115   36.072   15.680 51.56628 36.63983 
1 1 1  -20   13    2 o   55.398   19.026   4.7331   3.2973   26.730   11.471   2.7518   3.4426  104.643   35.492   47.488   18.818 57.15551 40.17204 
1 1 1  -20   13    3 o   42.929   18.124   1.3959   3.4572   0.2615   11.101   1.5177   3.6382   59.136   27.883   43.977   18.581 15.15963 33.50644 
1 1 1  -20   13    4 o   70.191   23.651   8.6741   5.0936   19.660   11.688   6.0987   5.6592   87.577   34.685   61.480   24.202 26.09760 42.29384 
1 1 1  -20   13    5 o   89.533   18.908   12.712   4.2476   21.510   11.038   11.182   4.6020   92.730   34.454   81.501   21.492 11.22880 40.60720 
1 1 1  -20   13    6 o   62.834   21.768   6.6072   4.3207   12.830   12.027   5.6852   4.6298   74.723   32.686   59.388   22.264 15.33470 39.54874 
1 1 1  -20   13    7 f   48.838   20.367   2.5821   4.2838  -0.9613   11.619   3.1395   4.6085   57.909   27.654   51.206   21.220 6.702976 34.85707 
1 1 1  -20   13    8 o   54.966   21.619   4.4825   4.5116   10.950   10.997   3.1737   4.9470   71.370   31.237   51.879   21.779 19.49157 38.07965 
1 1 1  -20   13    9 o   60.149   22.575   6.0449   4.7623   10.500   12.136   5.2340   5.1776   70.125   31.613   57.786   23.022 12.33849 39.10751 
1 1 1  -20   13   10 o   56.530   22.421   4.9720   4.8907 -19.4800   12.665   9.2574   5.3020   46.793   23.514   70.724   24.129 -23.93112 33.69165 
1 1 1  -20   13   11 o   79.442   24.227   11.788   5.4387   11.390   13.102   11.871   5.9781   69.893   32.026   77.987   25.605 -8.093994 41.00362 
1 1 1  -20   13   12 o   57.597   26.772   2.8320   9.6385   0.0000   0.0000   2.8320   9.6385  ?   ?    57.597   26.772 0.000000 26.77177 
1 1 1  -20   13   13 o   87.247   29.885   17.578   8.1339   13.480   13.798   19.760   10.070   70.359   32.468   85.918   32.694 -15.55817 46.07645 
1 1 1  -20   13   14 o   89.885   25.105   15.733   6.0700  -7.1720   14.906   20.286   6.6459   54.622   27.147  103.100   25.117 -48.47760 36.98404 
1 1 1  -20   13   15 o   33.665   16.693  -8.9487   5.5104 -31.0500   14.492  -5.2129   5.9580   43.934   22.400   39.005   18.919 4.928802 29.32066 
1 1 1  -20   13   16 o   45.572   21.638  -1.6764   6.9090 -13.3800   14.072   2.0407   7.9306   49.412   24.824   52.310   24.304 -2.898140 34.74126 
1 1 1  -20   14    1 o   74.890   18.494   8.9615   3.5662   7.4360   10.868   9.1455   3.7753   66.621   29.986   75.031   19.311 -8.409363 35.66649 
1 1 1  -20   14    2 o   52.512   19.468   4.1117   3.5204   17.770   11.214   2.6185   3.7078   83.334   33.643   47.393   19.270 35.94135 38.77113 
1 1 1  -20   14    3 o   67.127   23.497   7.9915   5.0406  -0.4942   12.007   9.8071   5.5538   58.632   28.030   72.851   24.696 -14.21907 37.35735 
1 1 1  -20   14    4 o   50.399   21.425   2.6719   4.8864  -6.2210   10.650   5.0431   5.4994   51.447   25.032   57.706   23.466 -6.258511 34.31108 
1 1 1  -20   14    5 o   47.687   19.950   2.4058   4.1287   6.7850   11.868   1.8029   4.4038   65.560   30.203   46.805   20.129 18.75486 36.29567 
1 1 1  -20   14    6 o  150.734   17.629   35.163   6.7532   11.510   13.365   43.274   7.8258   70.962   32.454  165.946   18.522 -94.98405 37.36704 
1 1 1  -20   14    7 o   51.881   20.826   3.7467   4.2706   9.6950   10.968   2.6838   4.6365   68.414   30.507   49.526   20.953 18.88795 37.00977 
1 1 1  -20   14    8 o   77.130   23.040   10.766   4.9562   7.5560   12.310   11.387   5.4144   65.557   30.397   78.022   24.239 -12.46500 38.87788 
1 1 1  -20   14    9 o   48.568   20.948   2.2791   4.7975  -4.5250   12.473   3.4606   5.1974   54.578   26.672   52.335   22.165 2.243240 34.67959 
1 1 1  -20   14   10 o   95.587   24.099   16.842   5.9655   0.0000   0.0000   16.842   5.9655  ?   ?    95.587   24.099 0.000000 24.09945 
1 1 1  -20   14   11 f   68.066   26.627   9.5976   6.8123   0.0000   0.0000   9.5976   6.8123  ?   ?    68.066   26.627 0.000000 26.62655 
1 1 1  -20   14   12 o   51.060   24.301  -0.9335   8.8163  -7.9050   12.326   6.3690   12.615   50.980   25.222   62.187   29.443 -11.20720 38.76913 
1 1 1  -20   14   13 o   48.217   21.513   1.8646   5.4621  -1.9620   13.928   2.5601   5.9378   55.979   27.525   50.533   22.496 5.446583 35.54897 
1 1 1  -20   14   14 o   32.847   16.321  -9.1324   5.3771  -6.9300   14.488  -9.4842   5.7907   53.052   26.431   34.087   16.937 18.96547 31.39202 
1 1 1  -20   14   15 o   39.825   19.127  -3.4913   5.7339   4.2380   14.169  -5.0049   6.2702   58.629   28.602   39.726   19.301 18.90343 34.50515 
1 1 1  -20   15    1 o   89.483   18.054   12.702   4.0404  -5.5440   11.662   15.191   4.3072   53.144   25.931   98.594   17.507 -45.45010 31.28752 
1 1 1  -20   15    2 o   51.523   21.496   3.3481   4.7750  -1.1650   10.420   4.5477   5.3722   54.852   26.192   55.676   22.979 -0.8243484 34.84324 
1 1 1  -20   15    3 o   46.014   20.318   1.1893   4.7479 -16.7900   12.012   4.5185   5.1688   46.642   23.362   55.277   22.645 -8.634991 32.53575 
1 1 1  -20   15    4 o   48.036   20.020   2.6518   4.1356   6.0630   12.251   2.2130   4.3936   63.696   29.797   47.459   20.249 16.23719 36.02634 
1 1 1  -20   15    5 o   59.505   21.814   6.0459   4.3990   0.4048   11.847   6.9481   4.7378   57.689   27.649   62.596   22.685 -4.906918 35.76422 
1 1 1  -20   15    6 o   90.144   21.174   13.944   4.8601   17.910   12.346   13.217   5.2869   78.059   33.637   85.103   23.301 -7.043182 40.91906 
1 1 1  -20   15    7 o   65.608   22.754   7.8589   4.7216   6.6290   12.305   8.0713   5.1130   63.357   29.710   65.785   23.602 -2.427380 37.94373 
1 1 1  -20   15    8 o   51.135   21.983   3.1367   5.2493   0.0000   0.0000   3.1367   5.2493  ?   ?    51.135   21.983 0.000000 21.98325 
1 1 1  -20   15    9 f   66.776   25.391   8.9673   6.0711   0.0000   0.0000   8.9673   6.0711  ?   ?    66.776   25.391 0.000000 25.39144 
1 1 1  -20   15   10 o   51.318   22.216   3.2750   5.4359   10.700   13.044   1.7146   5.9799   65.996   30.832   49.145   22.170 16.85047 37.97491 
1 1 1  -20   15   11 o   51.193   23.177   2.3931   6.6045   24.420   13.407  -4.6653   7.5893   81.644   35.117   44.113   21.386 37.53130 41.11635 
1 1 1  -20   15   12 o   56.436   24.341   5.4257   6.4769  -7.6030   13.105   9.6365   7.4504   51.021   25.373   65.418   27.035 -14.39673 37.07660 
1 1 1  -20   15   13 o   65.152   24.784   8.9323   5.7855   8.3310   14.891   9.0392   6.2788   61.501   29.849   64.682   25.483 -3.180962 39.24708 
1 1 1  -20   16    1 o   34.648   16.745  -4.6994   4.5616  -7.5720   11.726  -4.1872   4.9516   50.762   25.017   36.959   17.756 13.80332 30.67802 
1 1 1  -20   16    2 o   56.240   22.546   5.1691   4.9981   2.4160   11.971   5.7504   5.5004   58.735   28.054   58.158   23.533 0.5764236 36.61736 
1 1 1  -20   16    3 o   41.869   18.584   0.6333   4.0227 -12.7500   10.811   2.7841   4.3339   45.737   22.794   48.368   20.349 -2.631615 30.55553 
1 1 1  -20   16    4 o   43.522   19.069   1.2143   4.1080   1.7440   11.876   1.1423   4.3783   57.709   27.665   44.187   19.511 13.52272 33.85353 
1 1 1  -20   16    5 o   49.268   20.590   3.1285   4.3908   20.410   12.885   0.8580   4.6704   78.662   34.128   44.338   19.829 34.32438 39.47073 
1 1 1  -20   16    6 o  134.059   17.797   28.718   6.0274   0.0000   0.0000   28.718   6.0274  ?   ?   134.059   17.797 0.000000 17.79723 
1 1 1  -20   16    7 o   47.356   21.228   1.5337   5.3853   0.0000   0.0000   1.5337   5.3853  ?   ?    47.356   21.228 0.000000 21.22780 
1 1 1  -20   16    8 o   74.062   24.764   11.164   5.5838   2.7670   14.016   12.748   6.0877   58.700   28.595   77.792   25.853 -19.09232 38.54945 
1 1 1  -20   16    9 o   66.234   24.367   8.9303   5.4960   9.4530   14.351   8.8405   5.9496   63.213   30.332   65.180   25.052 -1.967411 39.34035 
1 1 1  -20   16   10 o   75.662   27.497   13.417   6.9684   3.3820   14.486   16.439   7.9485   58.259   28.528   80.662   29.359 -22.40358 40.93661 
1 1 1  -20   16   11 o  101.498   26.896   21.936   7.1847  -2.0470   14.523   29.708   8.2673   54.453   27.017  118.611   27.452 -64.15749 38.51648 
1 1 1  -20   17    1 o   54.931   20.994   5.1270   4.1637   10.750   12.340   4.4046   4.4232   65.315   30.337   52.660   21.175 12.65447 36.99599 
1 1 1  -20   17    2 o   39.515   18.035  -0.3425   4.1010   25.250   12.953  -3.1936   4.3234   83.716   35.198   35.349   16.877 48.36737 39.03518 
1 1 1  -20   17    3 o   52.102   21.632   4.1332   4.8019   0.0000   0.0000   4.1332   4.8019  ?   ?    52.102   21.632 0.000000 21.63202 
1 1 1  -20   17    4 o   94.918   24.289   17.438   5.9965   0.0000   0.0000   17.438   5.9965  ?   ?    94.918   24.289 0.000000 24.28899 
1 1 1  -20   17    5 o   61.634   23.335   7.3927   5.1135   1.5810   12.220   8.6264   5.6302   55.937   27.123   64.826   24.500 -8.889442 36.54969 
1 1 1  -20   17    6 o   53.606   21.974   4.8019   4.8713  -5.0240   11.594   6.9085   5.3682   50.273   24.795   59.687   23.548 -9.414139 34.19487 
1 1 1  -20   17    7 o   46.842   20.550   2.2892   4.7849  -1.3030   12.230   2.9385   5.1994   53.196   26.083   49.086   21.481 4.110100 33.78978 
1 1 1  -20   17    8 o   36.235   17.503  -4.0816   4.9682   2.5000   13.331  -5.1432   5.3539   56.200   27.487   36.351   17.700 19.84877 32.69310 
1 1 1  -20   17    9 o   40.631   19.756  -4.5855   6.6026  -4.9740   13.731  -4.4686   7.5304   51.563   25.696   43.025   20.959 8.538113 33.15966 
1 1 1  -20   18    1 o   55.465   22.572   5.6191   5.0934   0.0000   0.0000   5.6191   5.0934  ?   ?    55.465   22.572 0.000000 22.57214 
1 1 1  -20   18    2 o   39.394   18.341  -0.9468   4.5544  -7.0760   13.663  -0.1806   4.8307   50.675   25.312   41.641   19.214 9.033798 31.77878 
1 1 1  -20   18    3 o   42.496   19.354   0.5180   4.6908   17.180   13.821  -1.6514   4.9868   67.744   31.677   39.606   18.679 28.13724 36.77402 
1 1 1  -20   18    4 f   56.983   22.718   6.2541   5.0455   0.6932   14.652   7.0023   5.3742   55.178   27.334   58.955   23.465 -3.777287 36.02468 
1 1 1  -20   18    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    0    1 o   67.514   22.475   7.9686   3.5007   7.9686   3.5007   7.9686   3.5007   67.514   22.475   67.514   22.475 -0.000000 0.000000 
1 1 1  -19    0    2 o  199.343   12.731   53.442   6.5124   53.442   6.5124   53.442   6.5124  199.343   12.731  199.343   12.731 -0.000000 0.000000 
1 1 1  -19    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    0    4 f   72.923   30.655   10.820   5.8269   10.820   5.8269   10.820   5.8269   72.923   30.655   72.923   30.655 0.000000 0.000000 
1 1 1  -19    0    5 o   31.346   20.422   0.1058   4.0205   0.1058   4.0205   0.1058   4.0205   31.346   20.422   31.346   20.422 -0.000000 0.000000 
1 1 1  -19    0    6 o   57.645   27.928   7.1078   4.8689   7.1078   4.8689   7.1078   4.8689   57.645   27.928   57.645   27.928 -0.000000 0.000000 
1 1 1  -19    0    7 o  131.806   18.630   25.015   5.9944   25.015   5.9944   25.015   5.9944  131.806   18.630  131.806   18.630 0.000000 0.000000 
1 1 1  -19    0    8 o  200.620   14.881   54.977   7.6354   54.977   7.6354   54.977   7.6354  200.620   14.881  200.620   14.881 -0.000000 0.000000 
1 1 1  -19    0    9 o   63.917   30.013   8.8355   5.5785   8.8355   5.5785   8.8355   5.5785   63.917   30.013   63.917   30.013 0.000000 0.000000 
1 1 1  -19    0   10 o  171.667   17.112   41.290   7.4355   41.290   7.4355   41.290   7.4355  171.667   17.112  171.667   17.112 0.000000 0.000000 
1 1 1  -19    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    0   12 o   27.104   19.284  -6.9470   5.8660  -6.9470   5.8660  -6.9470   5.8660   27.104   19.284   27.104   19.284 0.000000 0.000000 
1 1 1  -19    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    0   14 o  169.902   20.476   42.156   8.6646   42.156   8.6646   42.156   8.6646  169.902   20.476  169.902   20.476 -0.000000 0.000000 
1 1 1  -19    0   15 o  164.250   21.285   39.960   8.6366   39.960   8.6366   39.960   8.6366  164.250   21.285  164.250   21.285 -0.000000 0.000000 
1 1 1  -19    0   16 o   80.755   36.385   15.316   8.1580   15.316   8.1580   15.316   8.1580   80.755   36.385   80.755   36.385 -0.000000 0.000000 
1 1 1  -19    0   17 o  147.563   25.176   34.302   8.7820   34.302   8.7820   34.302   8.7820  147.563   25.176  147.563   25.176 0.000000 0.000000 
1 1 1  -19    0   18 o  172.149   22.662   45.065   9.6191   45.065   9.6191   45.065   9.6191  172.149   22.662  172.149   22.662 -0.000000 0.000000 
1 1 1  -19    0   19 o   24.925   18.279 -17.4688   7.7247 -17.4688   7.7247 -17.4688   7.7247   24.925   18.279   24.925   18.279 -0.000000 0.000000 
1 1 1  -19    0   20 o   38.877   26.563  -1.3567   8.3855  -1.3567   8.3855  -1.3567   8.3855   38.877   26.563   38.877   26.563 -0.000000 0.000000 
1 1 1  -19    0   21 o   99.610   38.910   23.084   9.5927   23.084   9.5927   23.084   9.5927   99.610   38.910   99.610   38.910 -0.000000 0.000000 
1 1 1  -19    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    0   23 o   53.258   32.999   7.9182   9.0565   7.9182   9.0565   7.9182   9.0565   53.258   32.999   53.258   32.999 0.000000 0.000000 
1 1 1  -19    0   24 o   28.736   20.840 -12.4523   8.4603 -12.4523   8.4603 -12.4523   8.4603   28.736   20.840   28.736   20.840 -0.000000 0.000000 
1 1 1  -19    0   25 o  153.978   29.319   42.155   10.462   42.155   10.462   42.155   10.462  153.978   29.319  153.978   29.319 -0.000000 0.000000 
1 1 1  -19    0   26 o   76.791   38.743   18.677   9.5397   18.677   9.5397   18.677   9.5397   76.791   38.743   76.791   38.743 -0.000000 0.000000 
1 1 1  -19    0   27 o   42.263   28.693   2.8031   9.4610   2.8031   9.4610   2.8031   9.4610   42.263   28.693   42.263   28.693 0.000000 0.000000 
1 1 1  -19    1    1 o  253.275   11.459   85.746   7.5177   0.0000   0.0000   85.746   7.5177  ?   ?   253.275   11.459 0.000000 11.45895 
1 1 1  -19    1    2 o  219.618   8.5826   63.599   4.8824   65.888   6.8926   61.293   6.9171  221.331   12.068  213.105   12.587 8.226059 17.43727 
1 1 1  -19    1    3 o  142.927   11.251   27.439   4.1319   32.150   6.6504   24.477   5.2731  151.294   17.280  132.768   15.632 18.52669 23.30148 
1 1 1  -19    1    4 o  133.776   15.992   24.939   5.4316   24.939   5.4316   0.0000   0.0000  133.776   15.992  ?   ?  0.000000 15.99165 
1 1 1  -19    1    5 o  161.444   15.724   36.150   6.4923   25.620   9.5383   45.240   8.8621  125.274   29.823  177.666   19.582 -52.39204 35.67735 
1 1 1  -19    1    6 o   52.416   19.017   3.4560   3.3308   7.1175   4.5109  -0.9336   4.9390   69.483   22.197   45.764   20.435 23.71935 30.17090 
1 1 1  -19    1    7 o  103.462   15.535   15.005   4.0347   14.128   5.6723   15.902   5.7402   96.257   23.054  102.800   22.206 -6.543129 32.00919 
1 1 1  -19    1    8 o   62.301   20.384   5.5644   3.7898   2.0537   5.2530   9.3754   5.4731   53.911   22.524   78.067   24.389 -24.15573 33.19868 
1 1 1  -19    1    9 o   37.025   17.028  -2.1430   3.7501   0.0567   5.1209  -4.6868   5.5069   48.499   21.269   41.583   19.616 6.915569 28.93374 
1 1 1  -19    1   10 o   77.393   20.556   9.0036   4.1905   12.243   5.9011   5.7089   5.9516   88.086   24.807   65.636   25.097 22.44975 35.28799 
1 1 1  -19    1   11 o   79.620   21.320   9.6452   4.4847   15.934   6.5092   3.9622   6.1876  100.169   25.129   61.108   24.875 39.06070 35.35867 
1 1 1  -19    1   12 o   67.135   23.600   6.6403   5.0875   2.3630   7.9202   9.6447   6.6381   61.640   26.750   77.857   26.980 -16.21695 37.99360 
1 1 1  -19    1   13 o   77.774   27.952   9.7283   7.1744  -6.7430   10.447   24.430   9.8698   55.693   26.491  117.249   31.726 -61.55530 41.33221 
1 1 1  -19    1   14 o   78.601   22.864   9.7235   4.9352   8.3847   6.9907   11.054   6.9682   73.435   27.392   81.471   27.662 -8.036301 38.92982 
1 1 1  -19    1   15 o  124.050   18.364   22.576   5.7227   20.427   8.0402   24.783   8.1470  109.314   28.207  122.840   26.391 -13.52587 38.62764 
1 1 1  -19    1   16 o  103.977   21.583   16.760   5.6227   12.402   7.9224   21.183   7.9814   83.849   29.451  111.314   27.772 -27.46550 40.48023 
1 1 1  -19    1   17 o   64.215   24.338   6.0340   5.5664   3.2659   7.8089   8.8935   7.9368   61.412   26.606   73.881   28.785 -12.46875 39.19770 
1 1 1  -19    1   18 o  142.359   17.615   29.776   6.3570   20.203   8.6345   41.107   9.3937  104.517   30.197  161.033   23.189 -56.51672 38.07325 
1 1 1  -19    1   19 o   41.720   19.680  -3.8671   5.5420  -4.7700   7.3997  -2.7136   8.3637   47.314   22.444   52.738   24.655 -5.423801 33.34042 
1 1 1  -19    1   20 o   67.684   25.192   7.4269   5.9065   5.1363   8.0605   10.083   8.6798   64.150   27.400   75.101   29.843 -10.95038 40.51393 
1 1 1  -19    1   21 o   51.323   23.099   0.3338   6.4487   15.040   10.230  -9.3619   8.3068   84.588   32.757   44.932   21.916 39.65593 39.41225 
1 1 1  -19    1   22 o   60.815   29.171  -3.0900   13.246  -3.0900   13.246   0.0000   0.0000   60.815   29.171  ?   ?  0.000000 29.17068 
1 1 1  -19    1   23 o   64.153   25.521   6.6039   6.3540   3.1764   8.6643   10.592   9.3464   60.055   26.923   73.911   30.384 -13.85551 40.59563 
1 1 1  -19    1   24 o   63.067   25.880   6.3034   6.7655   2.8485   9.1116   10.549   10.100   59.574   27.071   72.682   30.847 -13.10791 41.04139 
1 1 1  -19    1   25 o  205.405   15.330   62.138   8.0978   68.378   11.416   55.818   11.488  203.166   22.046  176.815   25.847 26.35124 33.97203 
1 1 1  -19    1   26 o   39.049   19.092  -7.5457   6.4151  -6.5893   8.8657  -8.5967   9.2940   47.017   22.868   46.350   22.729 0.6665192 32.24163 
1 1 1  -19    1   27 o   55.198   24.352   3.6988   6.8051  -1.4656   9.7452   8.6138   9.5071   52.882   25.273   65.550   28.857 -12.66785 38.35986 
1 1 1  -19    2    1 o   52.454   19.863   3.1616   3.7053   11.510   6.5608  -0.7483   4.4899   85.826   26.684   44.195   19.624 41.63093 33.12357 
1 1 1  -19    2    2 o  116.576   11.241   18.303   3.3524   18.040   5.1141   18.501   4.4391  112.421   18.183  115.432   15.217 -3.011063 23.71036 
1 1 1  -19    2    3 o   44.143   16.610   2.1484   2.5815   7.7502   3.3822  -5.6692   3.9955   73.102   17.985   32.508   15.701 40.59320 23.87426 
1 1 1  -19    2    4 o   79.473   15.667   8.9408   3.1106   8.9892   4.3195   8.8886   4.4833   77.688   20.975   77.082   21.592 0.6057663 30.10271 
1 1 1  -19    2    5 o   95.777   16.235   12.960   3.8838   17.924   4.7684   3.1780   6.6941  112.633   16.863   61.272   25.499 51.36079 30.57007 
1 1 1  -19    2    6 o   78.809   17.630   8.9861   3.5089   5.3839   4.8818   12.836   5.0471   63.207   23.008   92.583   21.464 -29.37690 31.46548 
1 1 1  -19    2    7 o   75.487   18.869   8.3693   3.6795   7.9105   5.1636   8.8426   5.2445   72.638   23.794   76.195   23.886 -3.556732 33.71475 
1 1 1  -19    2    8 o   48.516   19.278   2.2397   3.6220   1.2138   5.1225   3.2655   5.1221   51.285   21.872   56.792   22.804 -5.507034 31.59818 
1 1 1  -19    2    9 o   97.770   17.328   13.721   4.2276   11.965   6.0222   15.428   5.9362   87.027   25.240  100.150   23.318 -13.12343 34.36302 
1 1 1  -19    2   10 o  125.630   14.813   21.976   4.7278   19.721   6.8392   24.040   6.5429  112.767   24.142  127.677   20.476 -14.90969 31.65595 
1 1 1  -19    2   11 f   73.625   21.690   8.2518   4.4165   6.7552   6.2143   9.7791   6.2779   68.861   25.799   78.563   26.258 -9.701134 36.81137 
1 1 1  -19    2   12 o  114.529   24.712   20.691   7.1159   12.810   8.8906   34.740   11.870   86.464   31.112  139.630   33.289 -53.16616 45.56422 
1 1 1  -19    2   13 o  242.831   12.730   80.565   7.9794   69.596   9.8187  101.900   13.693  220.857   17.301  263.073   20.250 -42.21596 26.63486 
1 1 1  -19    2   14 o  177.236   16.266   44.587   7.3844   28.330   13.469   51.574   8.8298  116.009   38.449  188.561   18.309 -72.55141 42.58599 
1 1 1  -19    2   15 o   94.704   21.823   13.959   5.2433   11.072   7.3044   17.028   7.5311   80.781   28.285   99.506   28.025 -18.72408 39.81732 
1 1 1  -19    2   16 o  217.249   12.312   64.718   6.9002   62.815   9.5561   66.791   9.9739  207.731   17.935  213.925   18.171 -6.194244 25.53174 
1 1 1  -19    2   17 o   88.022   24.406   12.801   5.7584   15.699   8.1251   9.8767   8.1623   92.611   29.812   76.283   29.338 16.32801 41.82654 
1 1 1  -19    2   18 f  117.956   19.880   21.194   5.8583   26.796   8.2526   15.505   8.3174  126.469   26.059   90.946   30.218 35.52378 39.90243 
1 1 1  -19    2   19 o  127.591   18.393   24.365   5.9031   30.041   8.2234   18.329   8.4790  135.542   24.316   98.279   30.299 37.26279 38.84967 
1 1 1  -19    2   20 o  121.058   21.116   23.008   6.3806   27.234   8.5779   17.774   9.5466  124.781   27.298   93.106   32.351 31.67519 42.32896 
1 1 1  -19    2   21 o   66.897   28.140   6.6807   8.2851   3.3140   10.280   12.920   13.995   63.728   28.879   79.063   34.899 -15.33521 45.29802 
1 1 1  -19    2   22 o   70.133   29.721   8.3006   9.3539   19.380   14.172  -0.2525   12.452   86.993   36.709   62.105   29.358 24.88882 47.00445 
1 1 1  -19    2   23 o   49.187   22.395  -0.2092   6.2742  -1.0846   9.0279   0.6086   8.7259   54.745   25.600   56.316   25.927 -1.570854 36.43583 
1 1 1  -19    2   24 o  158.706   18.761   39.019   7.5633   37.795   10.766   40.211   10.627  138.302   30.839  145.705   29.175 -7.402954 42.45283 
1 1 1  -19    2   25 o   64.721   26.199   7.3221   6.8198   1.6263   9.6501   13.005   9.6391   57.850   26.856   76.224   31.040 -18.37328 41.04485 
1 1 1  -19    2   26 o   54.887   24.224   3.2126   6.7407  -0.4693   9.5809   6.8217   9.4856   54.451   25.744   63.871   28.434 -9.419178 38.35659 
1 1 1  -19    2   27 o   41.298   20.085  -6.2100   6.8351 -15.9559   9.8030   3.0107   9.5352   42.014   21.053   57.452   26.679 -15.43809 33.98526 
1 1 1  -19    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    3    2 o   81.093   12.555   9.0351   2.5520   5.9960   7.8084   9.3985   2.7002   70.509   28.211   82.553   13.062 -12.04491 31.08859 
1 1 1  -19    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    3    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    3    5 o   99.801   14.037   13.782   3.5286   8.9799   4.7184   19.875   5.3150   77.137   22.333  118.015   17.953 -40.87777 28.65397 
1 1 1  -19    3    6 o  129.561   15.384   23.362   5.0619   21.870   9.6794   23.923   5.9387  113.246   31.728  129.397   18.223 -16.15113 36.58912 
1 1 1  -19    3    7 o   76.950   19.269   8.7402   3.8324   10.064   5.2540   7.2354   5.6023   80.874   23.610   70.365   24.763 10.50950 34.21450 
1 1 1  -19    3    8 o  140.468   18.965   28.446   6.7240   0.0000   0.0000   28.446   6.7240  ?   ?   140.468   18.965 0.000000 18.96494 
1 1 1  -19    3    9 o   55.147   20.789   3.7327   4.0476   7.2726   5.5244  -0.3699   5.9473   70.139   24.596   50.748   22.557 19.39083 33.37356 
1 1 1  -19    3   10 o   36.887   17.060  -2.4193   3.8416  -2.6706   5.1915  -2.1151   5.7111   43.226   19.936   46.457   21.235 -3.230827 29.12642 
1 1 1  -19    3   11 f   85.740   22.994   11.444   5.2120   12.830   7.9833   10.415   6.8807   87.243   29.609   80.366   27.487 6.877129 40.40086 
1 1 1  -19    3   12 o  162.880   13.759   36.626   5.7506   36.485   7.9334   36.783   8.3476  157.499   19.890  157.072   21.046 0.4270630 28.95735 
1 1 1  -19    3   13 o  174.456   13.163   41.859   5.9043   44.898   8.4550   38.968   8.2488  175.494   18.897  162.312   20.046 13.18250 27.54881 
1 1 1  -19    3   14 o  164.581   17.246   38.945   7.2431   29.410   13.527   42.779   8.5762  117.934   38.505  169.911   19.861 -51.97671 43.32575 
1 1 1  -19    3   15 o  161.212   14.254   36.326   5.8909   34.411   8.4675   38.122   8.2008  149.098   22.636  159.461   20.316 -10.36278 30.41593 
1 1 1  -19    3   16 o   96.473   22.159   14.665   5.4209   11.234   7.5748   18.267   7.7613   80.439   28.741  102.153   28.338 -21.71355 40.36201 
1 1 1  -19    3   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    3   18 o  135.286   17.779   27.035   6.0793   29.149   8.6266   24.951   8.5685  131.706   26.208  119.196   28.194 12.51034 38.49356 
1 1 1  -19    3   19 o  194.003   13.921   52.989   6.9491   63.888   9.7507   41.740   9.9060  207.177   18.360  159.242   24.825 47.93472 30.87653 
1 1 1  -19    3   20 o   94.245   30.743   17.466   8.6233   0.0000   0.0000   17.466   8.6233  ?   ?    94.245   30.743 0.000000 30.74308 
1 1 1  -19    3   21 o   67.451   28.496   6.9183   8.5558   0.0086   10.850   18.280   13.913   60.362   28.173   86.492   36.428 -26.13025 46.05085 
1 1 1  -19    3   22 o   73.188   27.723   9.7998   7.2195   6.5333   8.6821   17.120   12.997   66.209   28.362   84.229   35.328 -18.01940 45.30416 
1 1 1  -19    3   23 o   57.586   24.421   4.0360   6.3227  -3.0640   8.8283   11.513   9.0595   51.864   24.577   75.586   30.336 -23.72175 39.04259 
1 1 1  -19    3   24 o   67.301   25.993   8.0751   6.4283   3.0652   8.9379   13.443   9.2521   59.358   26.910   78.608   30.946 -19.24988 41.00972 
1 1 1  -19    3   25 o  228.230   14.362   75.735   8.4476   68.553   11.868   83.111   12.027  200.472   23.288  226.301   20.748 -25.82864 31.19039 
1 1 1  -19    3   26 o  105.038   25.911   20.764   7.0063   18.563   9.9079   22.966   9.9089   85.884   32.490   96.888   32.986 -11.00379 46.30009 
1 1 1  -19    3   27 o   41.227   20.131  -6.8830   7.0628  -0.5601   10.256 -12.5869   9.7407   54.235   25.922   43.768   21.784 10.46689 33.85947 
1 1 1  -19    4    1 f   55.792   22.340   3.0668   4.9002  -2.6560   7.9572   6.5630   6.2195   54.469   24.959   69.281   25.838 -14.81168 35.92432 
1 1 1  -19    4    2 o  105.055   21.869   16.477   5.7575   12.790   8.6666   19.390   7.7029   88.655   30.822  110.484   27.117 -21.82940 41.05320 
1 1 1  -19    4    3 o   51.636   17.278   3.6051   2.7182   1.3050   7.7015   3.9324   2.9052   60.148   26.238   53.641   17.861 6.507046 31.73995 
1 1 1  -19    4    4 o   42.713   16.916   1.6302   2.7804   3.3067   3.4954  -1.2579   4.5877   52.226   19.391   43.400   19.513 8.826023 27.50982 
1 1 1  -19    4    5 o   57.699   18.589   4.6945   3.1585   2.9058   4.1947   7.0366   4.7999   52.900   20.833   69.152   22.955 -16.25236 30.99902 
1 1 1  -19    4    6 o   90.447   25.057   12.841   6.0725   0.5120   8.6358   24.900   8.5407   61.102   27.170  125.146   27.129 -64.04410 38.39530 
1 1 1  -19    4    7 o   79.657   18.983   9.3488   3.8613   14.676   5.3039   3.3417   5.6323   98.937   21.324   58.391   23.747 40.54577 31.91593 
1 1 1  -19    4    8 o   94.714   17.756   12.965   4.1961   8.1482   5.6790   18.757   6.2271   73.299   24.972  111.326   22.371 -38.02644 33.52688 
1 1 1  -19    4    9 o   54.717   20.900   3.5769   4.1247   1.6462   5.5280   6.0019   6.1952   53.532   22.774   66.784   25.589 -13.25139 34.25532 
1 1 1  -19    4   10 o   81.536   22.779   10.303   4.9967   4.4430   7.8616   14.274   6.4721   65.812   27.531   94.142   25.783 -28.32948 37.71857 
1 1 1  -19    4   11 o   87.283   23.268   11.938   5.3563   15.276   6.3975   4.1110   9.7958   97.630   25.144   68.599   29.760 29.03135 38.96006 
1 1 1  -19    4   12 o   57.447   22.007   4.1546   4.5818   10.440   6.2957  -2.9227   6.6806   80.185   26.274   48.574   22.477 31.61031 34.57632 
1 1 1  -19    4   13 o   59.385   22.517   4.6718   4.7659   8.8329   6.6931   0.3920   6.7880   74.574   26.972   54.298   24.119 20.27651 36.18322 
1 1 1  -19    4   14 o   94.528   29.303   15.744   7.9181   27.040   11.954   6.9130   10.569  116.152   36.003   73.153   31.314 42.99982 47.71590 
1 1 1  -19    4   15 o  190.364   12.865   49.961   6.3067   50.741   9.0082   49.211   8.8326  185.436   19.023  182.697   18.939 2.738693 26.84355 
1 1 1  -19    4   16 o  136.348   17.225   27.073   5.9477   29.296   8.6385   25.070   8.2012  133.234   25.964  122.222   26.655 11.01141 37.21070 
1 1 1  -19    4   17 o  114.191   19.999   19.891   5.6998   12.611   8.3343   26.288   7.8125   82.902   30.080  126.913   24.653 -44.01097 38.89240 
1 1 1  -19    4   18 o  181.795   14.460   46.750   6.7529   43.652   9.4084   50.042   9.6984  166.420   22.394  179.817   21.231 -13.39699 30.85860 
1 1 1  -19    4   19 o  117.851   21.229   21.822   6.2422   21.300   8.8050   22.350   8.8509  105.713   30.479  108.760   30.294 -3.047440 42.97330 
1 1 1  -19    4   20 o  137.827   21.994   30.278   7.5883   37.130   12.209   25.965   9.6868  133.771   34.875  115.178   31.542 18.59260 47.02295 
1 1 1  -19    4   21 o  136.678   19.379   28.759   6.6686   32.713   9.3352   24.639   9.5293  135.692   27.501  110.902   31.626 24.78973 41.91090 
1 1 1  -19    4   22 o  129.807   24.204   28.441   7.8388   36.492   10.042   15.880   12.542  141.314   28.417   82.142   34.591 59.17213 44.76713 
1 1 1  -19    4   23 o   54.684   23.874   2.7025   6.3885   13.839   9.2256  -7.5580   8.8552   80.328   31.107   47.259   22.955 33.06922 38.65985 
1 1 1  -19    4   24 o  139.708   20.244   31.239   7.1124   35.007   10.121   27.562   9.9972  133.512   29.997  112.800   32.464 20.71199 44.20101 
1 1 1  -19    4   25 o   61.714   25.325   6.3251   6.4790   8.0598   8.9256   4.3931   9.4197   66.298   28.584   60.756   27.576 5.542046 39.71783 
1 1 1  -19    4   26 o   54.994   23.997   3.6904   6.4469  -4.0899   9.1092   11.498   9.1253   49.467   23.846   71.473   29.760 -22.00594 38.13467 
1 1 1  -19    5    1 o   49.563   21.674   0.1548   5.2850   1.2310   8.3599  -0.5617   6.8210   61.773   27.131   53.871   24.037 7.902138 36.24724 
1 1 1  -19    5    2 o   78.878   24.993   9.5805   5.7278   6.3270   8.3905   12.420   7.8384   71.899   29.075   87.543   29.341 -15.64435 41.30670 
1 1 1  -19    5    3 o   57.140   17.292   4.6463   2.7784  -0.0761   8.2463   5.2510   2.9509   59.156   26.410   60.408   17.711 -1.251862 31.79901 
1 1 1  -19    5    4 o  102.977   14.036   14.683   3.6465   11.240   8.7536   15.406   4.0111   83.970   30.773  104.962   15.195 -20.99227 34.31986 
1 1 1  -19    5    5 o  134.810   15.130   25.263   5.1922   20.260   10.099   27.060   6.0535  107.295   33.066  138.185   17.290 -30.89020 37.31404 
1 1 1  -19    5    6 o   62.866   25.003   4.5796   6.0976   0.3298   8.8690   8.3890   8.3970   61.253   27.365   76.241   29.635 -14.98808 40.33649 
1 1 1  -19    5    7 o  220.016   14.997   66.964   8.4960   0.0000   0.0000   66.964   8.4960  ?   ?   220.016   14.997 0.000000 14.99702 
1 1 1  -19    5    8 o  100.650   17.411   14.579   4.3750   11.724   5.9152   18.028   6.5007   85.982   25.037  107.782   23.910 -21.80019 34.62004 
1 1 1  -19    5    9 o  116.297   16.303   19.185   4.7761   20.955   6.6504   17.299   6.8635  117.148   22.736  103.989   25.642 13.15993 34.27018 
1 1 1  -19    5   10 o  111.330   22.043   18.872   6.1319   22.490   8.0294   13.810   9.4980  117.585   26.940   88.850   32.131 28.73461 41.93075 
1 1 1  -19    5   11 o   45.996   19.976   0.4219   4.4230  -6.0067   6.1672   7.2303   6.3467   42.290   20.182   69.938   26.098 -27.64827 32.99058 
1 1 1  -19    5   12 o   87.359   21.328   11.753   4.7841   14.407   6.7884   9.1349   6.7433   92.999   26.748   75.597   27.107 17.40186 38.08179 
1 1 1  -19    5   13 o   60.778   22.865   5.0655   4.8910   3.0234   6.7868   7.2721   7.0548   59.394   25.250   70.123   27.189 -10.72931 37.10523 
1 1 1  -19    5   14 o   66.381   27.530   5.4869   7.7653  -0.0746   11.740   9.8130   10.354   64.809   29.921   77.854   31.989 -13.04527 43.80175 
1 1 1  -19    5   15 o   51.210   21.705   1.8764   4.9898   3.5524   6.9560   0.0999   7.1617   60.340   25.604   54.236   24.383 6.104012 35.35670 
1 1 1  -19    5   16 o   68.378   24.471   7.3871   5.4930   6.5342   7.7388   8.2530   7.7980   67.857   27.743   71.955   28.383 -4.097534 39.68961 
1 1 1  -19    5   17 o   32.657   16.123  -9.1475   4.9453 -13.2852   6.9288  -4.8509   7.0606   37.397   18.573   46.203   21.919 -8.805641 28.72943 
1 1 1  -19    5   18 o  167.205   15.411   40.113   6.5995   36.578   9.1694   43.913   9.5058  149.308   24.563  166.229   22.668 -16.92067 33.42397 
1 1 1  -19    5   19 o   91.751   25.316   14.557   6.2129   5.3319   8.7413   23.974   8.8321   65.227   28.205  113.372   29.714 -48.14499 40.96883 
1 1 1  -19    5   20 o   96.851   30.103   18.318   8.3504   25.840   10.665   6.4000   13.424  110.070   33.989   70.703   32.405 39.36697 46.96099 
1 1 1  -19    5   21 o   55.393   23.794   2.9960   6.1400  -0.6001   8.7793   6.4387   8.5902   55.249   25.637   66.034   28.248 -10.78497 38.14659 
1 1 1  -19    5   22 o   97.562   27.998   18.056   7.4453   18.224   9.2169   17.740   12.631   92.043   31.798   84.566   35.095 7.477478 47.35775 
1 1 1  -19    5   23 o  109.557   28.946   23.319   8.3377   18.280   15.765   25.275   9.8241   80.998   36.313  108.117   32.470 -27.11856 48.71324 
1 1 1  -19    5   24 o   80.829   27.224   12.882   6.7484   11.010   9.7363   14.612   9.3621   72.344   30.472   80.154   31.253 -7.809959 43.64978 
1 1 1  -19    5   25 o  135.236   20.801   30.086   7.0531   32.767   10.202   27.633   9.7614  123.586   31.713  111.468   32.079 12.11717 45.10797 
1 1 1  -19    5   26 o   87.425   27.154   15.652   6.7957   26.067   9.7373   5.7628   9.4886  104.718   32.500   61.267   27.756 43.45099 42.73955 
1 1 1  -19    6    1 o   67.646   25.217   6.2875   5.9229   9.2580   8.8792   3.9060   7.9502   79.025   30.541   65.614   27.581 13.41146 41.15170 
1 1 1  -19    6    2 o   73.998   25.192   8.2737   5.7794   5.5400   8.4282   10.700   7.9401   69.966   28.818   82.185   29.420 -12.21877 41.18277 
1 1 1  -19    6    3 o  121.953   11.314   20.094   3.5332   6.8960   9.1558   22.404   3.8298   73.929   30.195  128.678   11.615 -54.74986 32.35174 
1 1 1  -19    6    4 o  174.432   10.343   40.715   4.6524   28.890   10.498   43.605   5.1899  130.465   31.436  180.053   11.183 -49.58809 33.36589 
1 1 1  -19    6    5 o  146.282   11.591   28.929   4.3562   27.000   10.308   29.349   4.8064  125.432   31.709  146.691   12.777 -21.25928 34.18647 
1 1 1  -19    6    6 o  103.994   26.876   17.505   7.2920  -5.4890   10.688   37.530   9.9740   58.339   27.462  155.051   25.736 -96.71190 37.63635 
1 1 1  -19    6    7 o   60.610   20.270   5.2587   3.7411   6.1889   4.8256   3.8576   5.9226   65.465   22.986   60.213   24.400 5.252247 33.52223 
1 1 1  -19    6    8 o  197.161   16.312   54.680   8.2558   0.0000   0.0000   54.680   8.2558  ?   ?   197.161   16.312 0.000000 16.31187 
1 1 1  -19    6    9 o   57.025   23.080   3.3811   5.2920   8.7930   6.9825  -3.9230   8.1118   75.238   27.497   52.255   24.379 22.98263 36.74844 
1 1 1  -19    6   10 o  183.600   12.240   45.933   5.7875   41.609   8.0066   50.665   8.3755  169.436   18.546  188.288   17.368 -18.85231 25.40878 
1 1 1  -19    6   11 o   52.058   20.962   2.7324   4.3413  -0.4739   6.2721   5.6811   6.0149   51.074   22.901   64.733   25.104 -13.65896 33.97988 
1 1 1  -19    6   12 f   78.112   22.576   9.6131   4.8254   12.665   6.8089   6.5335   6.8395   86.604   27.227   67.954   26.653 18.65070 38.10059 
1 1 1  -19    6   13 o  161.620   14.213   36.493   5.8896   40.324   8.2680   32.546   8.3915  164.592   19.790  144.354   23.230 20.23802 30.51668 
1 1 1  -19    6   14 o   65.359   27.537   5.0063   7.9549   10.110   12.056   1.0710   10.586   78.758   33.571   63.725   29.043 15.03319 44.39061 
1 1 1  -19    6   15 o   65.979   23.958   6.6824   5.2884   12.543   7.4199   0.6323   7.5392   84.032   28.545   55.960   25.098 28.07196 38.00973 
1 1 1  -19    6   16 o   55.644   22.981   3.3053   5.3786   1.7986   7.6907   4.7478   7.5251   58.019   25.727   63.351   26.742 -5.331745 37.10802 
1 1 1  -19    6   17 o  127.988   19.396   24.859   6.2289   31.045   8.6704   18.261   8.9545  136.510   25.457   96.789   31.311 39.72097 40.35398 
1 1 1  -19    6   18 o   50.359   21.981   1.2874   5.4122   1.0337   7.4291   1.5743   7.9008   55.415   24.880   57.410   25.725 -1.995556 35.78794 
1 1 1  -19    6   19 o   65.096   26.017   6.5161   6.6328   3.0240   10.195   9.0786   8.7338   63.283   28.710   72.234   29.495 -8.950230 41.16099 
1 1 1  -19    6   20 o   93.855   25.558   15.534   6.3811   18.351   8.9947   12.679   9.0540   94.438   31.427   79.563   30.815 14.87563 44.01371 
1 1 1  -19    6   21 o   56.659   23.800   3.8370   5.9133   4.4638   8.1338   3.1344   8.6120   61.534   26.900   60.009   26.876 1.524658 38.02491 
1 1 1  -19    6   22 o  125.300   25.893   27.780   8.1261   24.804   10.068   33.340   13.763  106.360   33.055  111.203   38.832 -4.842659 50.99519 
1 1 1  -19    6   23 o   50.086   22.681   0.5764   6.3289   7.1676   9.0463  -5.7426   8.8575   65.837   28.580   48.538   23.427 17.29959 36.95486 
1 1 1  -19    6   24 o   61.768   25.373   6.3041   6.5116  -3.2820   8.9711   16.978   9.4665   50.733   24.247   84.775   31.826 -34.04137 40.00988 
1 1 1  -19    6   25 o   47.068   21.885  -0.8972   6.4495   10.893   9.5987 -10.6016   8.7082   70.257   29.952   43.114   21.306 27.14240 36.75676 
1 1 1  -19    6   26 o   75.286   27.199   12.094   6.8036   9.8640   9.6276   14.319   9.6160   67.002   29.278   75.165   30.850 -8.163490 42.53173 
1 1 1  -19    7    1 o   55.560   23.345   2.2098   5.6922  -5.3240   8.3725   8.6850   7.7621   51.798   24.359   76.258   28.779 -24.45995 37.70391 
1 1 1  -19    7    2 o   49.651   22.067  -0.4269   5.6893  -1.4520   8.0864   0.5779   8.0059   56.128   25.504   59.168   26.242 -3.039986 36.59380 
1 1 1  -19    7    3 o  158.579   10.201   33.671   4.1681   22.320   10.203   35.945   4.5665  112.109   32.952  163.523   10.842 -51.41406 34.68986 
1 1 1  -19    7    4 o   50.959   18.638   3.2619   3.2089 -10.9500   8.8258   5.4268   3.4446   47.282   22.955   61.192   19.381 -13.90958 30.04242 
1 1 1  -19    7    5 o   36.012   16.329  -1.3562   3.2928   11.530   9.4747  -3.1264   3.5117   83.832   31.758   33.569   15.783 50.26296 35.46355 
1 1 1  -19    7    6 o   69.591   22.312   7.3117   4.5547   6.3290   10.594   7.5346   5.0447   73.998   31.505   70.524   23.539 3.474518 39.32702 
1 1 1  -19    7    7 o   86.620   25.549   12.090   6.1242   0.0000   0.0000   12.090   6.1242  ?   ?    86.620   25.549 0.000000 25.54857 
1 1 1  -19    7    8 o  115.327   17.328   19.148   5.0164   19.230   6.1280   18.980   8.7342  112.435   21.828  104.259   30.443 8.175804 37.45962 
1 1 1  -19    7    9 o   62.388   21.414   5.6717   4.1769  -0.5375   5.5072   14.080   6.4087   48.243   21.557   92.875   25.745 -44.63168 33.57864 
1 1 1  -19    7   10 o  156.196   18.975   35.729   7.5195   0.0000   0.0000   35.729   7.5195  ?   ?   156.196   18.975 0.000000 18.97493 
1 1 1  -19    7   11 o   61.875   22.578   5.4625   4.7048   6.7323   6.8237   4.3117   6.4958   68.426   26.682   61.698   25.343 6.727772 36.79908 
1 1 1  -19    7   12 o  149.430   14.774   31.413   5.6437   38.196   8.4995   26.064   7.5479  158.659   21.212  128.648   23.517 30.01144 31.67032 
1 1 1  -19    7   13 o   81.684   23.173   10.750   5.1299   1.7709   7.3643   19.215   7.1501   57.805   25.424  107.374   25.988 -49.56905 36.35567 
1 1 1  -19    7   14 o   81.199   29.890   11.803   8.2718   33.740   13.407  -1.6790   10.511  125.011   38.020   59.796   27.848 65.21492 47.12825 
1 1 1  -19    7   15 o  131.878   18.018   25.740   5.9941   31.471   8.4852   20.033   8.4688  139.289   24.407  104.428   29.826 34.86102 38.53989 
1 1 1  -19    7   16 o   45.191   20.589  -1.2046   5.3151  -3.1533   7.4125   0.8577   7.6254   49.411   23.135   55.975   25.163 -6.563366 34.18161 
1 1 1  -19    7   17 o   78.823   24.623   10.587   5.5788   18.249   8.3745   4.4735   7.4802   97.743   30.108   61.980   26.432 35.76316 40.06486 
1 1 1  -19    7   18 o  215.323   15.031   66.439   8.3312   86.100   14.237   56.200   10.274  228.327   24.452  189.148   21.343 39.17886 32.45624 
1 1 1  -19    7   19 o   48.753   22.256  -0.6800   6.2491  -0.0127   7.8447  -1.8390   10.338   54.170   24.807   57.236   26.962 -3.066437 36.63822 
1 1 1  -19    7   20 o   62.599   25.326   5.9238   6.3696   4.9562   8.7349   7.0226   9.3083   63.320   27.773   67.469   29.140 -4.149231 40.25488 
1 1 1  -19    7   21 o   48.244   21.970  -0.2959   6.0424  -0.5750   8.9832  -0.0653   8.1656   55.127   25.698   54.070   24.960 1.056110 35.82425 
1 1 1  -19    7   22 o   90.037   37.642   24.260   14.685   0.0000   0.0000   24.260   14.685  ?   ?    90.037   37.642 0.000000 37.64233 
1 1 1  -19    7   23 o  105.193   25.710   20.258   6.9462   15.502   9.9499   24.779   9.7017   80.998   32.026  105.358   32.399 -24.35997 45.55587 
1 1 1  -19    7   24 f   70.708   26.365   9.7954   6.4748   13.955   9.3745   6.0014   8.9535   77.148   30.896   62.330   27.693 14.81830 41.49046 
1 1 1  -19    7   25 o  111.586   24.629   22.822   6.9281   35.796   10.037   11.018   9.5744  130.876   30.219   69.697   29.818 61.17873 42.45415 
1 1 1  -19    8    1 o   70.883   26.483   7.2986   6.5394   0.1600   9.3342   14.180   9.1645   61.731   27.787   90.544   31.683 -28.81260 42.14184 
1 1 1  -19    8    2 o   85.217   27.076   11.821   6.7190   3.3800   9.4613   20.410   9.5433   67.086   29.175  107.491   31.940 -40.40478 43.25941 
1 1 1  -19    8    3 o   48.673   17.585   3.0014   2.8437   6.9910   9.1483   2.5747   2.9920   73.241   30.079   47.246   17.859 25.99510 34.98096 
1 1 1  -19    8    4 o   72.419   19.173   7.8232   3.6532   22.400   10.007   5.5821   3.9240  111.793   32.570   62.047   20.760 49.74586 38.62354 
1 1 1  -19    8    5 o   47.370   18.851   2.1749   3.4682  -6.7920   9.6982   3.4898   3.7138   53.763   25.559   53.078   19.932 0.6852379 32.41221 
1 1 1  -19    8    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    8    7 o   97.488   19.967   14.248   4.8724   6.4670   11.063   16.121   5.4272   74.004   31.865  103.121   21.031 -29.11694 38.17941 
1 1 1  -19    8    8 o   90.461   19.150   12.215   4.3473   16.760   10.882   11.352   4.7422   94.004   34.331   85.794   21.408 8.209282 40.45914 
1 1 1  -19    8    9 o  121.289   19.708   21.903   5.9792   14.210   11.480   24.767   7.0043   87.607   34.476  127.107   22.075 -39.50029 40.93724 
1 1 1  -19    8   10 o   95.672   19.646   13.798   4.7056   18.357   6.8373   9.6948   6.4861  106.135   25.239   76.876   26.668 29.25874 36.71751 
1 1 1  -19    8   11 o  173.733   13.412   41.843   5.9889   46.434   8.6899   37.689   8.2652  177.169   19.245  158.021   20.689 19.14816 28.25626 
1 1 1  -19    8   12 o   73.351   23.543   8.6418   5.0702   11.044   7.3536   6.4653   7.0001   79.959   28.345   67.234   26.774 12.72543 38.99121 
1 1 1  -19    8   13 o   38.524   18.215  -3.9527   4.7972  -7.1764   6.7722  -0.7059   6.7964   42.641   20.557   51.567   23.412 -8.926216 31.15614 
1 1 1  -19    8   14 o  107.875   23.799   18.939   6.4718   32.400   13.953   15.249   7.3052  118.327   39.131   92.355   28.059 25.97190 48.15115 
1 1 1  -19    8   15 o  138.775   17.021   28.231   5.9902   26.096   8.6413   30.206   8.3110  121.942   27.955  135.727   24.543 -13.78432 37.19968 
1 1 1  -19    8   16 o  168.639   14.779   40.562   6.3907   43.968   9.2954   37.509   8.8007  166.832   22.050  152.954   22.919 13.87823 31.80367 
1 1 1  -19    8   17 o   73.326   25.551   9.2869   5.9574   17.295   8.6692   2.1215   8.2004   93.334   30.843   58.641   26.247 34.69289 40.49952 
1 1 1  -19    8   18 o   84.849   29.282   13.966   7.8150   10.060   11.104   17.800   11.001   74.155   31.927   88.874   34.088 -14.71908 46.70461 
1 1 1  -19    8   19 o  143.700   19.208   31.831   6.9708   24.564   9.8408   39.149   9.8756  108.483   32.480  149.718   26.431 -41.23483 41.87505 
1 1 1  -19    8   20 o   68.073   25.295   8.0561   5.9498  -1.3104   8.5108   17.010   8.3210   53.257   24.888   91.094   30.223 -37.83734 39.15182 
1 1 1  -19    8   21 o  108.742   23.894   20.363   6.5466   17.811   9.3469   22.820   9.1722   89.380   31.928  104.030   31.404 -14.64989 44.78418 
1 1 1  -19    8   22 o   73.328   28.573   10.852   7.8209   4.6032   9.4925   24.060   13.800   61.807   27.903   90.097   36.965 -28.29004 46.31408 
1 1 1  -19    8   23 o   50.614   22.876   1.1268   6.4016  -0.9613   8.7822   3.4942   9.3510   52.731   24.844   59.277   27.123 -6.545364 36.78134 
1 1 1  -19    8   24 o  136.969   21.309   31.471   7.3145   38.378   10.764   25.545   9.9699  133.724   31.580  102.782   33.017 30.94180 45.68829 
1 1 1  -19    8   25 o   43.763   20.837  -2.9485   6.4967  -4.1490   8.8728  -1.5610   9.5387   48.213   23.313   51.946   24.874 -3.732853 34.09142 
1 1 1  -19    9    1 o  137.274   21.785   28.420   7.4876   28.230   10.738   28.600   10.446  125.680   32.680  127.719   31.718 -2.039154 45.54147 
1 1 1  -19    9    2 o   38.552   15.063   1.4211   2.1782   7.8340   9.6954   1.0802   2.2353   75.105   30.919   37.317   15.036 37.78868 34.38121 
1 1 1  -19    9    3 o   91.389   15.530   11.896   3.5447   5.2740   9.8784   12.874   3.7977   70.474   30.223   94.887   16.022 -24.41318 34.20709 
1 1 1  -19    9    4 o   52.964   19.825   3.5246   3.6679   0.0000   0.0000   3.5246   3.6679  ?   ?    52.964   19.825 0.000000 19.82467 
1 1 1  -19    9    5 f  115.889   17.392   19.409   5.0596   0.0000   0.0000   19.409   5.0596  ?   ?   115.889   17.392 0.000000 17.39171 
1 1 1  -19    9    6 o  116.955   19.268   20.239   5.6340   17.420   11.415   21.148   6.4781   94.853   35.077  117.371   22.119 -22.51830 41.46869 
1 1 1  -19    9    7 o   87.607   19.654   11.588   4.3502 -11.6700   11.328   15.612   4.7115   53.192   25.866  102.958   18.339 -49.76577 31.70724 
1 1 1  -19    9    8 o   68.445   21.466   7.2047   4.2354   21.760   11.093   4.7209   4.5825  104.877   34.901   59.011   22.145 45.86643 41.33391 
1 1 1  -19    9    9 o  101.401   18.291   15.218   4.6276   19.080   12.225   14.573   4.9996   96.130   36.152   97.719   20.410 -1.589714 41.51545 
1 1 1  -19    9   10 o   54.439   22.784   2.6441   5.3877   4.8440   11.386   2.0093   6.1157   70.215   31.211   54.999   23.687 15.21621 39.18170 
1 1 1  -19    9   11 o  107.988   18.931   17.473   5.1024   17.569   7.2910   17.381   7.1431  100.954   27.248  100.771   26.873 0.1837616 38.26988 
1 1 1  -19    9   12 o   82.244   23.459   11.066   5.2426   19.792   7.6335   3.2752   7.2128  106.823   27.442   59.912   25.763 46.91123 37.64005 
1 1 1  -19    9   13 o   74.108   23.819   9.0369   5.1883   9.4221   7.3967   8.6638   7.2794   74.350   28.085   72.297   27.729 2.052643 39.46753 
1 1 1  -19    9   14 o  121.924   22.900   23.864   6.9668   41.880   13.595   17.447   8.1131  141.093   36.810   96.536   29.618 44.55672 47.24646 
1 1 1  -19    9   15 o   80.220   24.017   10.870   5.3810   8.7508   7.4032   13.244   7.8349   71.714   27.839   83.813   29.297 -12.09864 40.41441 
1 1 1  -19    9   16 o  117.516   20.335   21.542   5.9660   32.338   8.8460   12.535   8.0802  137.912   25.708   80.921   29.579 56.99028 39.18995 
1 1 1  -19    9   17 o  178.210   20.368   49.480   9.2334   47.030   12.763   52.170   13.375  154.518   32.896  163.310   32.757 -8.792526 46.42374 
1 1 1  -19    9   18 f   53.820   23.317   2.4663   5.9976  -5.5681   8.3912   10.858   8.5757   48.389   23.213   75.122   29.723 -26.73291 37.71304 
1 1 1  -19    9   19 o  168.746   16.045   41.966   6.9290   31.502   10.037   51.492   9.5769  126.421   30.910  179.744   20.963 -53.32312 37.34816 
1 1 1  -19    9   20 o   51.843   22.999   1.6274   6.1536   4.4822   8.9419  -0.9409   8.4813   61.757   27.542   53.257   24.874 8.499523 37.11140 
1 1 1  -19    9   21 o   54.887   24.011   3.0006   6.4913   2.6750   9.2270   3.3197   9.1338   58.841   26.931   59.619   27.096 -0.7775688 38.20297 
1 1 1  -19    9   22 o   89.102   33.750   20.339   10.700   10.790   15.836   28.360   14.514   70.719   33.331   93.736   38.120 -23.01737 50.63689 
1 1 1  -19    9   23 o  129.794   21.804   28.491   7.0707   33.066   10.302   24.418   9.7221  122.571   32.076  101.414   32.607 21.15679 45.73949 
1 1 1  -19    9   24 o   70.803   26.657   10.424   6.6504   13.672   9.3802   7.1406   9.4301   74.382   30.492   62.812   28.128 11.57093 41.48418 
1 1 1  -19    9   25 o   64.378   28.360   8.9763   9.1969   8.5330   18.339   9.1252   10.630   64.383   31.643   64.410   29.258 -0.2677155E-01 43.09615 
1 1 1  -19   10    1 o   58.026   25.005   2.2310   6.8236  -0.2914   10.458   4.1010   9.0045   62.738   28.698   66.455   28.681 -3.717350 40.57324 
1 1 1  -19   10    2 o   53.608   18.550   3.9778   3.1375   0.0000   0.0000   3.9778   3.1375  ?   ?    53.608   18.550 0.000000 18.55041 
1 1 1  -19   10    3 o   50.644   18.896   3.2098   3.3270  -2.8190   9.4993   4.0528   3.5520   57.137   26.565   54.668   19.666 2.469128 33.05182 
1 1 1  -19   10    4 o   45.745   18.526   1.8549   3.4121   6.9960   10.075   1.1888   3.6264   72.960   30.878   44.460   18.655 28.50023 36.07597 
1 1 1  -19   10    5 o   97.093   21.199   14.502   5.1820   25.690   10.722   11.092   5.9193  116.471   33.649   82.209   25.311 34.26210 42.10606 
1 1 1  -19   10    6 o   52.287   20.223   3.2712   3.8955 -15.0600   10.747   6.0442   4.1797   48.884   24.064   63.491   21.425 -14.60738 32.21930 
1 1 1  -19   10    7 o   35.576   16.627  -2.7781   3.8002  -1.6960   10.656  -2.9358   4.0677   60.681   28.187   36.737   17.181 23.94410 33.01014 
1 1 1  -19   10    8 o  106.925   17.425   16.753   4.6600   6.9440   11.922   18.522   5.0628   73.817   32.410  112.070   18.054 -38.25206 37.09919 
1 1 1  -19   10    9 o  119.462   16.311   20.610   4.9155   23.270   12.053   20.079   5.3835  104.447   36.347  116.259   18.496 -11.81259 40.78238 
1 1 1  -19   10   10 o   79.969   21.886   10.194   4.6655   30.790   13.207   7.2573   4.9870  118.168   38.005   67.830   23.392 50.33809 44.62735 
1 1 1  -19   10   11 o   88.796   25.064   13.305   6.0170   13.600   13.357   13.230   6.7395   82.970   35.351   86.851   27.052 -3.880592 44.51442 
1 1 1  -19   10   12 o  125.896   17.418   23.385   5.5279   24.003   7.6752   22.719   7.9684  119.635   25.544  114.275   27.295 5.360863 37.38336 
1 1 1  -19   10   13 o   82.525   27.378   12.226   6.8283   11.874   8.1857   13.030   12.381   79.902   29.673   80.787   34.213 -0.8842621 45.28820 
1 1 1  -19   10   14 o   57.528   23.285   4.2281   5.3870  -2.0869   7.9089   9.6936   7.3577   51.865   24.155   74.023   27.999 -22.15869 36.97894 
1 1 1  -19   10   15 o   81.097   25.454   11.573   5.9539   7.5638   8.3371   15.747   8.5058   68.717   28.515   88.922   30.557 -20.20483 41.79457 
1 1 1  -19   10   16 o  101.555   28.897   19.555   7.9649   25.940   11.081   12.730   11.457  107.810   34.826   78.306   33.023 29.50404 47.99323 
1 1 1  -19   10   17 o   58.864   23.965   4.8039   5.7446   0.7163   8.1439   8.8520   8.1045   55.489   25.361   70.452   28.546 -14.96331 38.18380 
1 1 1  -19   10   18 o   64.335   24.850   6.8439   5.8756   19.375   7.9915  -7.8994   8.6684   99.415   29.146   46.560   22.637 52.85534 36.90427 
1 1 1  -19   10   19 o   86.809   25.909   13.940   6.2694   17.181   8.6730   10.392   9.0732   89.534   30.850   72.437   29.876 17.09753 42.94550 
1 1 1  -19   10   20 o  106.331   24.582   20.021   6.6354   10.919   9.2498   29.669   9.5239   72.618   30.076  121.306   30.377 -48.68864 42.74716 
1 1 1  -19   10   21 o   92.168   26.427   16.281   6.6358   15.526   9.2909   17.068   9.4808   81.552   31.315   84.803   31.847 -3.251389 44.66417 
1 1 1  -19   10   22 o   48.728   23.751  -6.4997   9.7093 -11.4400   15.057  -2.9830   12.703   54.240   27.010   56.416   27.424 -2.176758 38.49163 
1 1 1  -19   10   23 o   64.288   26.082   7.9744   6.7755   18.020   9.8312  -1.1131   9.3507   83.021   32.123   52.422   24.971 30.59926 40.68652 
1 1 1  -19   10   24 o   58.733   24.880   6.0097   6.5509   1.4610   9.2157   10.656   9.3139   54.208   25.512   67.455   29.141 -13.24690 38.73066 
1 1 1  -19   11    1 o  103.377   13.031   14.866   3.4118   11.850   10.859   15.196   3.5938   82.117   33.122  104.199   13.643 -22.08183 35.82180 
1 1 1  -19   11    2 o  101.893   14.010   14.602   3.6000   26.880   11.074   13.151   3.8068  117.912   34.236   95.542   15.944 22.36993 37.76685 
1 1 1  -19   11    3 o   78.507   18.296   9.2416   3.6518  -8.1640   10.611   11.580   3.8893   53.897   25.920   88.561   17.575 -34.66352 31.31603 
1 1 1  -19   11    4 o   40.943   17.635   0.4429   3.3903  -6.0560   10.028   1.2816   3.6025   54.327   25.873   44.458   18.620 9.868881 31.87679 
1 1 1  -19   11    5 o   75.144   27.987   9.3361   7.2922   9.4490   10.816   9.2420   9.8736   76.916   32.242   75.974   31.230 0.9421005 44.88758 
1 1 1  -19   11    6 o   36.236   16.816  -2.3309   3.7791   11.300   10.869  -4.2052   4.0305   80.085   32.826   34.298   16.353 45.78708 36.67374 
1 1 1  -19   11    7 o  122.210   15.231   21.310   4.7168   11.600   12.000   23.085   5.1297   80.504   33.864  126.677   15.989 -46.17228 37.44934 
1 1 1  -19   11    8 o   42.083   18.775  -0.4520   4.1597  -5.2310   11.739   0.2343   4.4483   58.471   27.887   44.944   19.764 13.52663 34.18022 
1 1 1  -19   11    9 o   45.011   19.619   0.5507   4.2981   3.7100   11.337   0.0204   4.6449   67.383   30.450   45.162   20.011 22.22185 36.43685 
1 1 1  -19   11   10 o   36.854   17.440  -3.7242   4.4152  -8.3130   11.337  -2.9037   4.7937   54.423   26.325   40.002   18.689 14.42146 32.28435 
1 1 1  -19   11   11 o   86.865   23.315   12.486   5.3558  -8.4130   13.195   16.609   5.8603   57.862   28.086  101.060   22.915 -43.19728 36.24776 
1 1 1  -19   11   12 o   56.393   22.537   4.0864   4.9769 -18.5400   12.995   7.9759   5.3877   50.683   25.215   69.410   24.293 -18.72725 35.01299 
1 1 1  -19   11   13 o   68.101   28.949   6.9556   8.9197   3.2060   13.616   9.7740   11.805   67.771   31.607   74.506   32.493 -6.735443 45.32996 
1 1 1  -19   11   14 o   42.252   19.615  -2.2095   5.1482   0.0332   7.2174  -4.5325   7.3455   52.700   24.004   46.753   22.231 5.947521 32.71695 
1 1 1  -19   11   15 o   49.702   22.774  -0.6719   6.6243  -8.9450   8.8778   9.7200   9.9499   46.579   22.705   72.765   30.735 -26.18553 38.21204 
1 1 1  -19   11   16 o  126.691   20.323   25.365   6.4439   22.137   8.9335   28.865   9.3040  104.534   30.864  123.096   29.553 -18.56206 42.73130 
1 1 1  -19   11   17 o   98.115   23.915   16.638   6.0227   35.162   8.3023  -3.9391   8.7502  145.799   22.724   50.572   24.108 95.22763 33.12938 
1 1 1  -19   11   18 o   69.159   25.361   8.6189   5.9467   21.426   8.8169  -2.0692   8.0545  101.114   30.850   50.718   23.864 50.39583 39.00257 
1 1 1  -19   11   19 o  139.817   19.186   30.816   6.7653   31.118   10.228   30.580   9.0205  121.023   32.101  126.810   28.192 -5.787468 42.72290 
1 1 1  -19   11   20 o  108.832   23.963   20.916   6.5726   24.857   9.8492   17.751   8.8251  103.724   32.764   88.268   31.078 15.45610 45.15846 
1 1 1  -19   11   21 o  112.406   24.259   22.700   6.8562   42.398   10.232   6.6489   9.2365  149.075   27.511   63.094   28.075 85.98108 39.30772 
1 1 1  -19   11   22 o   46.539   22.242  -3.1362   7.5491 -21.5800   15.295   2.8037   8.6801   49.334   24.922   56.102   25.840 -6.767654 35.89979 
1 1 1  -19   11   23 o   73.697   26.621   11.612   6.5172  -1.3356   9.2308   24.481   9.2028   51.247   24.521  100.538   31.661 -49.29076 40.04567 
1 1 1  -19   12    1 f  110.578   13.006   17.046   3.6541   20.280   11.498   16.683   3.8538   98.441   35.386  108.785   14.002 -10.34364 38.05551 
1 1 1  -19   12    2 o  153.530   11.603   32.269   4.5805   31.760   11.983   32.356   4.9568  125.777   35.326  152.993   12.621 -27.21609 37.51261 
1 1 1  -19   12    3 o   98.676   16.095   14.127   3.9720   8.1130   11.131   15.005   4.2519   74.198   31.956  101.289   16.794 -27.09078 36.10009 
1 1 1  -19   12    4 o   78.799   22.603   10.016   4.8536   24.560   11.499   6.8627   5.3539  108.217   35.511   66.506   24.113 41.71091 42.92344 
1 1 1  -19   12    5 o   66.871   20.665   6.9636   3.9413   11.640   11.146   6.2953   4.2135   79.868   33.042   63.914   21.512 15.95367 39.42729 
1 1 1  -19   12    6 o   56.553   21.031   4.4641   4.1147   11.020   11.390   3.4801   4.4127   78.509   33.007   53.759   21.305 24.75012 39.28580 
1 1 1  -19   12    7 o   50.655   20.384   2.8019   4.1021 -19.4500   11.540   6.0204   4.3887   47.280   23.560   62.655   21.925 -15.37558 32.18390 
1 1 1  -19   12    8 o   66.179   22.183   6.9472   4.4804   38.210   12.771   2.5597   4.7845  136.075   35.764   51.807   21.558 84.26785 41.75901 
1 1 1  -19   12    9 o   39.523   18.254  -2.0215   4.3750 -13.9300   11.786  -0.1183   4.7117   50.958   25.107   44.859   20.000 6.098637 32.09935 
1 1 1  -19   12   10 o   72.675   23.199   8.7663   4.9281   11.530   11.801   8.1825   5.4237   77.746   33.179   70.070   24.382 7.676521 41.17461 
1 1 1  -19   12   11 o   51.178   21.751   2.2093   5.0335   5.4580   11.905   1.5020   5.5544   68.566   31.073   51.031   22.271 17.53481 38.23001 
1 1 1  -19   12   12 o   96.614   23.537   15.676   5.8360   2.9000   13.010   18.894   6.5298   66.318   30.918  105.555   24.375 -39.23717 39.37070 
1 1 1  -19   12   13 o   78.249   27.538   11.415   6.9283  -0.5031   14.057   15.239   7.9628   63.878   30.480   87.838   29.572 -23.96020 42.46778 
1 1 1  -19   12   14 o  163.960   29.583   50.060   12.102   0.0000   0.0000   50.060   12.102  ?   ?   163.960   29.583 0.000000 29.58317 
1 1 1  -19   12   15 o  133.689   18.594   27.514   6.2648   23.039   8.6317   32.494   9.1068  108.132   29.841  134.318   27.109 -26.18533 40.31659 
1 1 1  -19   12   16 o   44.197   20.340  -1.2194   5.3628   0.5196   7.1484  -3.4580   8.1107   52.310   23.850   49.343   23.433 2.967854 33.43550 
1 1 1  -19   12   17 o  153.921   26.258   42.460   10.093   0.0000   0.0000   42.460   10.093  ?   ?   153.921   26.258 0.000000 26.25793 
1 1 1  -19   12   18 o  111.130   23.060   21.193   6.4207   26.906   8.8406   14.816   9.3405  116.248   29.354   80.366   31.250 35.88200 42.87435 
1 1 1  -19   12   19 o   41.253   19.685  -3.9274   5.8638   1.5961   7.9458 -10.5333   8.6895   54.430   24.941   43.381   21.409 11.04869 32.86937 
1 1 1  -19   12   20 o   66.536   25.754   8.4921   6.3216   16.050   9.0309   1.2307   8.8519   81.722   30.994   54.864   25.553 26.85808 40.16950 
1 1 1  -19   12   21 o   52.155   23.943   1.5055   7.3701  -0.0293   8.8818   4.8990   13.207   52.739   24.889   62.073   29.598 -9.334866 38.67162 
1 1 1  -19   12   22 o   45.338   21.213  -0.9924   6.2127   3.5714   8.9987  -5.1491   8.5879   56.540   26.136   46.301   22.517 10.23870 34.49781 
1 1 1  -19   12   23 o   57.753   26.149   5.4691   8.4072 -32.7400   16.787   18.260   9.7131   46.201   23.603   80.013   31.641 -33.81141 39.47446 
1 1 1  -19   13    1 o  128.786   12.557   23.052   4.1358   46.450   12.533   20.193   4.3812  159.012   31.543  119.152   14.494 39.85977 34.71331 
1 1 1  -19   13    2 o   61.023   19.830   5.6804   3.5889   13.180   10.808   4.7510   3.8048   82.155   33.078   57.131   20.374 25.02362 38.84920 
1 1 1  -19   13    3 o   60.233   22.573   5.2896   4.7580  -3.5440   11.364   7.1671   5.2393   58.754   27.854   67.046   23.909 -8.292286 36.70828 
1 1 1  -19   13    4 f   71.053   22.854   8.2170   4.7755  -7.0430   10.764   11.957   5.3286   54.069   26.028   84.955   23.447 -30.88583 35.03195 
1 1 1  -19   13    5 o   93.425   18.908   13.338   4.4186   9.3070   12.354   13.929   4.7315   75.161   32.997   94.752   19.911 -19.59150 38.53839 
1 1 1  -19   13    6 o  114.213   16.006   19.017   4.6053   12.700   11.165   20.312   5.0554   80.173   33.111  117.150   17.169 -36.97613 37.29754 
1 1 1  -19   13    7 o  121.351   15.778   21.412   4.8424   37.210   13.470   19.067   5.1893  128.264   37.907  112.246   18.492 16.01765 42.17675 
1 1 1  -19   13    8 o   48.872   20.611   1.9711   4.4636   17.140   12.727  -0.1564   4.7664   86.362   35.474   44.800   20.034 41.56214 40.74011 
1 1 1  -19   13    9 o   33.507   16.245  -5.7314   4.3795  -5.0430   12.267  -5.8319   4.6884   57.962   27.873   34.893   16.890 23.06932 32.59114 
1 1 1  -19   13   10 o   53.600   22.101   3.2854   4.9636  -2.7000   12.652   4.3742   5.3962   60.324   28.821   57.483   23.292 2.841251 37.05602 
1 1 1  -19   13   11 o  107.179   21.506   18.551   5.7632   6.1090   13.581   21.283   6.3646   69.575   32.143  114.125   22.329 -44.55044 39.13790 
1 1 1  -19   13   12 o   93.151   29.985   17.463   8.2194   0.0000   0.0000   17.463   8.2194  ?   ?    93.151   29.985 0.000000 29.98458 
1 1 1  -19   13   13 o   74.655   27.170   10.462   6.8071   0.0000   0.0000   10.462   6.8071  ?   ?    74.655   27.170 0.000000 27.17019 
1 1 1  -19   13   14 o   70.910   25.307   9.0640   5.8710  -5.8290   14.432   12.018   6.4268   58.963   28.788   79.803   26.565 -20.83963 39.17187 
1 1 1  -19   13   15 o   87.468   24.319   13.657   5.7093   11.530   14.277   14.062   6.2291   73.234   33.511   87.053   25.790 -13.81879 42.28641 
1 1 1  -19   13   16 o  131.950   23.732   29.956   7.8130   28.240   16.605   30.444   8.8544   90.280   38.956  127.342   27.637 -37.06136 47.76370 
1 1 1  -19   13   17 o   29.473   14.797 -12.0055   4.9600 -13.4902   6.9765 -10.4879   7.0532   36.157   18.065   38.691   19.131 -2.534237 26.31211 
1 1 1  -19   13   18 f   70.564   25.572   9.5993   6.0205   7.3641   9.0937   11.344   8.0331   64.453   28.302   72.757   28.773 -8.303680 40.35992 
1 1 1  -19   13   19 o   64.551   25.478   7.8652   6.2866   14.425   9.0881   1.8462   8.7054   77.317   30.596   55.191   25.581 22.12613 39.88094 
1 1 1  -19   13   20 o   52.865   23.303   3.1680   6.2182   4.7398   8.6969   1.5240   8.8942   58.514   26.535   54.393   25.427 4.120464 36.75103 
1 1 1  -19   13   21 o   81.274   33.331   20.222   11.214   20.580   16.439   19.910   15.337   73.351   34.378   73.803   34.118 -0.4518509 48.43417 
1 1 1  -19   13   22 o   66.688   26.539   9.8919   6.8733   4.9489   9.5733   15.151   9.8743   57.554   26.728   73.036   30.721 -15.48248 40.72076 
1 1 1  -19   14    1 o   97.496   15.963   13.939   3.8919   13.410   11.876   14.003   4.1193   80.843   33.830   96.978   17.019 -16.13534 37.86955 
1 1 1  -19   14    2 o  186.406   13.922   49.116   6.6736   57.610   14.052   46.643   7.5834  174.008   32.367  178.571   16.584 -4.563278 36.36866 
1 1 1  -19   14    3 o  128.951   17.804   24.876   5.7882   8.7130   12.023   29.752   6.6038   73.223   32.333  140.282   18.635 -67.05961 37.31837 
1 1 1  -19   14    4 o   50.301   20.030   2.9844   3.9179   0.5152   11.915   3.2837   4.1485   62.838   29.393   51.890   20.628 10.94814 35.90882 
1 1 1  -19   14    5 o   71.988   21.024   8.3816   4.1652  -4.6170   10.798   10.654   4.5146   55.556   26.566   81.091   21.240 -25.53492 34.01274 
1 1 1  -19   14    6 f  136.896   14.695   26.947   5.1295   27.880   13.092   26.777   5.5752  105.830   37.789  135.005   16.270 -29.17426 41.14314 
1 1 1  -19   14    7 o  100.740   19.616   15.854   4.9347  -6.3100   13.475   19.287   5.3030   58.636   28.443  111.945   18.965 -53.30856 34.18627 
1 1 1  -19   14    8 o  102.643   20.497   16.746   5.2590   12.040   13.540   17.582   5.7071   76.572   34.036  103.869   21.902 -27.29726 40.47387 
1 1 1  -19   14    9 o   63.854   23.089   6.6634   4.9044   5.4010   12.708   6.8844   5.3162   67.749   31.227   64.640   23.932 3.108604 39.34249 
1 1 1  -19   14   10 o   54.380   22.449   3.6098   5.1289   2.7320   13.412   3.7601   5.5508   65.228   30.722   55.605   23.186 9.622952 38.48992 
1 1 1  -19   14   11 f   82.513   29.789   14.016   8.1589   0.0000   0.0000   14.016   8.1589  ?   ?    82.513   29.789 0.000000 29.78925 
1 1 1  -19   14   12 o   68.398   28.063   8.4432   7.9533   5.0170   14.675   9.8680   9.4636   67.426   31.873   71.353   30.047 -3.927849 43.80316 
1 1 1  -19   14   13 o  105.203   23.008   18.863   6.0952   45.410   15.481   13.993   6.6307  126.282   41.192   85.376   26.873 40.90621 49.18275 
1 1 1  -19   14   14 o   36.548   17.722  -5.9096   5.2181   3.3360   13.479  -7.5395   5.6594   63.959   30.326   36.529   17.875 27.43005 35.20209 
1 1 1  -19   14   15 o   78.701   25.575   11.781   5.9701   33.020   16.208   8.4472   6.4216   96.573   39.890   67.365   25.990 29.20808 47.60995 
1 1 1  -19   14   16 o   68.563   25.763   8.9779   6.2060   10.200   14.831   8.7185   6.8329   69.373   32.558   67.383   26.572 1.989548 42.02544 
1 1 1  -19   14   17 o  106.994   28.522   23.311   8.0486   33.040   16.773   20.400   9.1737   91.446   39.304   92.459   31.736 -1.012787 50.51735 
1 1 1  -19   14   18 f   97.210   29.167   20.428   7.9296   14.880   15.589   22.365   9.2100   71.293   33.434   96.424   31.787 -25.13127 46.13306 
1 1 1  -19   14   19 o   50.523   22.622   2.1947   6.0978   8.0985   9.0764  -2.6623   8.2325   63.505   28.064   48.148   23.069 15.35706 36.32897 
1 1 1  -19   14   20 o   30.798   15.554 -14.9037   5.9360  -7.1867   8.8691 -21.1655   7.9893   44.853   22.036   34.007   17.270 10.84533 27.99715 
1 1 1  -19   14   21 o   89.647   30.695   20.630   8.5806   7.2120   16.239   25.828   10.107   61.281   30.049   95.209   33.275 -33.92827 44.83440 
1 1 1  -19   15    1 o   42.544   19.130  -0.4278   4.4107  -0.7283   10.540  -0.3640   4.8563   58.622   27.492   44.450   20.022 14.17282 34.01016 
1 1 1  -19   15    2 o   56.551   22.539   4.3497   4.9644   19.280   12.360   1.4779   5.4209   88.994   35.534   50.236   21.960 38.75870 41.77232 
1 1 1  -19   15    3 o   74.570   21.010   9.0845   4.2319   7.5330   12.431   9.2878   4.5007   70.451   31.856   74.808   21.856 -4.357452 38.63264 
1 1 1  -19   15    4 o  136.190   14.519   26.726   5.0430   8.2190   12.575   30.273   5.5051   71.202   32.132  144.620   14.909 -73.41862 35.42213 
1 1 1  -19   15    5 o  132.047   18.858   26.842   6.2669   17.680   13.661   29.284   7.0528   83.870   35.743  135.905   20.687 -52.03484 41.29809 
1 1 1  -19   15    6 o  110.862   18.199   18.836   5.0448   16.730   13.740   19.164   5.4236   82.003   35.410  110.445   19.680 -28.44170 40.51138 
1 1 1  -19   15    7 o   73.873   23.327   9.4387   4.9931  -2.9540   13.111   11.541   5.4000   59.696   28.734   81.097   24.010 -21.40079 37.44503 
1 1 1  -19   15    8 o  101.627   20.987   16.777   5.3418   2.6600   13.580   19.361   5.8102   64.809   30.643  109.007   21.341 -44.19783 37.34243 
1 1 1  -19   15    9 o   49.730   21.839   1.5473   5.4155   0.0000   0.0000   1.5473   5.4155  ?   ?    49.730   21.839 0.000000 21.83888 
1 1 1  -19   15   10 o   47.548   21.938  -0.9271   6.2954   0.0000   0.0000  -0.9271   6.2954  ?   ?    47.548   21.938 0.000000 21.93759 
1 1 1  -19   15   11 o  108.707   32.953   26.414   10.084   24.910   14.981   27.660   13.635   89.207   37.698   97.179   37.765 -7.971718 53.36072 
1 1 1  -19   15   12 o   51.249   22.393   2.2331   5.6305   5.5640   14.433   1.6353   6.1150   66.318   31.426   51.168   22.801 15.15033 38.82621 
1 1 1  -19   15   13 o  104.808   23.021   19.029   6.0789   9.5400   14.478   21.060   6.6978   69.366   32.431  108.688   24.390 -39.32175 40.57906 
1 1 1  -19   15   14 o   58.249   24.088   5.2521   5.9203 -19.1600   15.299   9.5514   6.4205   51.249   25.766   69.980   26.222 -18.73026 36.76249 
1 1 1  -19   15   15 o   45.408   21.122  -1.1366   6.0171  -2.3810   15.094  -0.9015   6.5609   59.108   28.981   47.268   22.010 11.84010 36.39102 
1 1 1  -19   15   16 o   55.118   23.587   4.2320   5.9932   16.710   14.614   1.7091   6.5712   73.859   33.836   51.109   23.131 22.74939 40.98721 
1 1 1  -19   15   17 o   41.773   19.848  -2.8858   5.8323   13.400   15.940  -5.4030   6.2669   68.887   32.754   40.109   19.443 28.77739 38.09000 
1 1 1  -19   15   18 o   64.705   25.433   8.4887   6.2406  -1.8120   15.134   10.599   6.8500   57.166   28.220   69.655   26.852 -12.48939 38.95372 
1 1 1  -19   15   19 o   97.779   29.426   22.044   8.0621   23.310   16.321   21.635   9.2723   74.051   34.559   89.774   31.829 -15.72272 46.98295 
1 1 1  -19   15   20 o   69.180   30.734   14.707   11.026   9.9620   16.366   18.650   14.920   62.241   30.445   69.406   32.600 -7.165401 44.60532 
1 1 1  -19   16    1 o  122.138   14.970   21.780   4.6369   32.500   13.241   20.282   4.9503  111.789   38.131  116.040   16.971 -4.251442 41.73751 
1 1 1  -19   16    2 o   78.755   21.099   10.266   4.3909   19.120   12.533   9.0267   4.6881   86.249   35.289   72.691   22.550 13.55820 41.87824 
1 1 1  -19   16    3 o   72.070   21.956   8.7831   4.4684 -15.6000   12.811   12.160   4.7679   50.392   25.064   85.481   21.541 -35.08923 33.04913 
1 1 1  -19   16    4 o   51.503   20.756   3.3487   4.2598   5.8960   12.778   3.0302   4.5182   67.112   31.066   51.120   21.083 15.99144 37.54448 
1 1 1  -19   16    5 o  108.889   18.511   18.438   5.0342   11.670   12.946   19.644   5.4642   73.804   33.010  111.287   19.675 -37.48327 38.42880 
1 1 1  -19   16    6 o   74.985   22.925   9.7978   4.8655   20.450   13.210   8.1258   5.2335   86.139   35.831   67.991   23.933 18.14880 43.08863 
1 1 1  -19   16    7 o   70.359   24.781   8.9774   5.6119   0.0000   0.0000   8.9774   5.6119  ?   ?    70.359   24.781 0.000000 24.78144 
1 1 1  -19   16    8 o   64.660   25.171   7.3028   6.0648   0.0000   0.0000   7.3028   6.0648  ?   ?    64.660   25.171 0.000000 25.17064 
1 1 1  -19   16    9 o   75.649   24.323   10.477   5.4097   24.350   13.105   7.6274   5.9393   91.366   36.550   65.373   25.053 25.99206 44.31254 
1 1 1  -19   16   10 o  112.255   25.534   23.011   7.2570   7.4030   14.275   28.450   8.4272   67.340   31.710  122.826   27.205 -55.48640 41.78089 
1 1 1  -19   16   11 o   97.266   27.795   18.886   7.3527   13.480   15.704   20.404   8.3211   72.495   33.855   97.487   30.009 -24.99158 45.24078 
1 1 1  -19   16   12 o  117.605   21.429   23.249   6.2875   2.3710   15.092   27.633   6.9163   62.604   30.304  128.153   21.603 -65.54974 37.21610 
1 1 1  -19   16   13 o   38.942   18.722  -4.5286   5.5268 -12.4500   13.503  -2.9345   6.0574   51.188   25.504   42.846   20.320 8.341606 32.60921 
1 1 1  -19   16   14 o   97.894   25.281   18.250   6.4554   28.040   16.154   16.389   7.0421   84.499   37.387   88.390   27.673 -3.890907 46.51392 
1 1 1  -19   16   15 o   41.050   19.561  -3.2073   5.7488   5.2440   14.179  -4.8698   6.2889   62.154   29.908   40.755   19.688 21.39888 35.80681 
1 1 1  -19   16   16 o   32.302   16.174 -11.7122   5.7356  -7.2800   15.162 -12.4524   6.1960   54.312   27.055   33.432   16.750 20.88008 31.82069 
1 1 1  -19   16   17 o   54.637   23.969   4.4442   6.5090  -6.1230   15.087   6.8609   7.2150   54.079   26.947   59.843   25.751 -5.764194 37.27263 
1 1 1  -19   16   18 o   52.429   23.188   3.7873   6.2078 -16.8500   16.096   7.3933   6.7283   49.782   25.197   60.261   25.354 -10.47913 35.74503 
1 1 1  -19   16   19 o   77.918   27.903   14.878   7.1432   20.190   16.582   13.667   7.9154   67.946   32.604   72.060   28.542 -4.114624 43.33155 
1 1 1  -19   17    1 o   33.479   15.939  -3.3979   3.7995   2.9550   11.936  -4.1143   4.0079   62.296   29.228   33.421   16.035 28.87525 33.33715 
1 1 1  -19   17    2 o   40.020   18.133  -0.5901   4.0511  -3.2260   12.347  -0.2722   4.2885   57.061   27.570   41.695   18.795 15.36541 33.36684 
1 1 1  -19   17    3 o   41.749   18.624   0.1144   4.0922 -15.5300   11.590   2.3426   4.3739   47.277   23.567   48.385   20.404 -1.107567 31.17295 
1 1 1  -19   17    4 o   97.181   21.763   15.921   5.3422   0.0000   0.0000   15.921   5.3422  ?   ?    97.181   21.763 0.000000 21.76313 
1 1 1  -19   17    5 o   91.987   25.123   15.610   6.1551   0.0000   0.0000   15.610   6.1551  ?   ?    91.987   25.123 0.000000 25.12288 
1 1 1  -19   17    6 o  139.848   18.220   30.541   6.4433   33.330   14.984   29.909   7.1368  100.550   39.445  134.615   21.166 -34.06539 44.76528 
1 1 1  -19   17    7 o  100.941   21.844   17.311   5.5456   12.990   13.834   18.138   6.0533   72.533   33.113  101.377   23.508 -28.84333 40.60905 
1 1 1  -19   17    8 o   50.008   21.615   2.4222   5.1298 -13.8000   12.469   5.7275   5.6282   49.258   24.537   59.211   23.859 -9.952858 34.22469 
1 1 1  -19   17    9 o  118.345   24.816   25.433   7.3645   49.270   14.520   17.177   8.5452  133.894   39.295   86.226   30.557 47.66826 49.77795 
1 1 1  -19   17   10 o   75.065   27.492   11.885   6.9850   16.110   14.626   10.637   7.9503   73.895   33.852   70.365   28.356 3.530014 44.15902 
1 1 1  -19   17   11 o   68.278   25.157   9.1160   5.8613 -10.4400   15.557   12.351   6.3276   54.487   27.184   77.748   26.360 -23.26151 37.86614 
1 1 1  -19   17   12 o  135.745   18.896   29.841   6.4640   41.270   15.921   27.585   7.0732  103.447   40.635  125.360   22.614 -21.91346 46.50417 
1 1 1  -19   17   13 o   63.396   25.080   7.8389   6.1049   5.5540   14.152   8.3613   6.7669   61.991   29.842   64.355   26.081 -2.364239 39.63301 
1 1 1  -19   17   14 o   62.864   24.865   7.8040   5.9996 -12.8600   15.132   11.658   6.5352   51.467   25.841   73.203   26.625 -21.73648 37.10321 
1 1 1  -19   17   15 o   65.520   25.506   9.0568   6.2276  -5.7330   14.843   12.216   6.8607   53.929   26.849   73.222   27.171 -19.29277 38.19847 
1 1 1  -19   17   16 o   73.317   26.099   11.917   6.2404  -8.1460   16.048   15.491   6.7735   53.107   26.657   82.755   27.259 -29.64764 38.12691 
1 1 1  -19   17   17 o   72.583   27.019   12.584   6.7950   17.980   15.962   11.389   7.5094   66.924   32.080   67.679   27.458 -0.7543869 42.22663 
1 1 1  -19   18    1 f   58.440   22.662   5.6071   4.9013   0.0000   0.0000   5.6071   4.9013  ?   ?    58.440   22.662 0.000000 22.66157 
1 1 1  -19   18    2 o   43.980   20.144  -0.5122   5.1758   0.0000   0.0000  -0.5122   5.1758  ?   ?    43.980   20.144 0.000000 20.14391 
1 1 1  -19   18    3 o   76.423   24.415   10.990   5.4574   0.6318   13.976   12.854   5.9281   60.406   29.221   81.738   25.357 -21.33221 38.68948 
1 1 1  -19   18    4 o   80.044   23.312   11.670   5.1276  -0.1452   13.908   13.528   5.5161   59.584   28.902   85.780   23.923 -26.19657 37.51823 
1 1 1  -19   18    5 o  174.174   13.878   44.325   6.2092   38.620   15.409   45.431   6.7844  104.603   40.288  174.462   15.164 -69.85832 43.04673 
1 1 1  -19   18    6 o  126.970   18.441   25.686   5.8878   22.990   15.104   26.169   6.3936   81.042   35.989  125.793   20.314 -44.75095 41.32646 
1 1 1  -19   18    7 o   57.130   23.132   5.3183   5.3180 -18.2000   14.304   9.0902   5.7286   49.298   24.802   68.391   24.920 -19.09327 35.15904 
1 1 1  -19   18    8 o   61.636   25.798   6.9638   6.9087   21.900   13.955   2.1143   7.9516   80.210   35.144   53.899   24.790 26.31153 43.00804 
1 1 1  -19   18    9 o   50.109   22.621   1.7644   6.2384   13.750   13.296  -1.6188   7.0643   70.139   32.185   46.848   22.136 23.29107 39.06223 
1 1 1  -19   18   10 o   56.366   23.414   5.2216   5.6293  -8.3840   13.838   7.9194   6.1622   52.551   26.124   63.492   25.172 -10.94122 36.27792 
1 1 1  -19   18   11 o   93.153   24.926   16.934   6.1328   13.790   15.244   17.542   6.6988   67.866   32.199   92.090   26.595 -24.22385 41.76234 
1 1 1  -19   18   12 o   73.599   25.791   11.535   6.0739   9.4610   14.979   11.943   6.6447   63.640   30.653   73.210   26.814 -9.569412 40.72564 
1 1 1  -19   18   13 o   67.484   25.158   9.6598   5.8949   17.410   14.724   8.1803   6.4331   69.487   32.557   62.568   25.404 6.918869 41.29527 
1 1 1  -19   18   14 o   96.362   26.133   19.424   6.6875   5.7120   15.690   22.468   7.3927   59.499   29.248  101.920   27.407 -42.42104 40.08239 
1 1 1  -19   18   15 o   39.657   19.174  -3.9418   5.9966 -24.7900   14.871   0.1064   6.5530   44.910   22.879   46.201   21.670 -1.291580 31.51267 
1 1 1  -19   18   16 o   53.070   23.447   4.7481   6.3314   0.3164   16.666   5.4956   6.8446   55.150   27.609   54.735   24.271 0.4150772 36.76011 
1 1 1  -19   19    1 o   43.121   19.369   0.4413   4.5075  -1.6130   12.845   0.7298   4.8137   56.266   27.402   44.698   20.050 11.56813 33.95405 
1 1 1  -19   19    2 o   65.283   23.362   7.9761   5.0063   10.220   13.658   7.6279   5.3809   66.566   31.242   63.664   23.976 2.901806 39.38162 
1 1 1  -19   19    3 o   85.196   23.918   13.694   5.4947   6.2840   13.890   15.069   5.9828   62.878   30.084   88.032   25.044 -25.15318 39.14368 
1 1 1  -19   19    4 o   84.752   24.027   13.653   5.5169   10.260   13.679   14.312   6.0290   66.128   31.110   84.813   25.429 -18.68542 40.18025 
1 1 1  -19   19    5 o   55.923   22.745   5.1660   5.1683   23.040   12.733   1.6405   5.6550   82.834   34.866   48.422   21.726 34.41200 41.08142 
1 1 1  -19   19    6 o   34.507   16.820  -5.6774   4.8709  -2.0470   12.084  -6.3817   5.3225   54.272   26.463   35.507   17.367 18.76534 31.65262 
1 1 1  -19   19    7 o   68.529   26.726   10.273   6.8475   16.760   13.785   8.1477   7.8896   71.488   32.792   62.818   26.977 8.669731 42.46227 
1 1 1  -19   19    8 o   78.438   27.611   13.975   6.9655   30.620   15.336   9.6487   7.8185   84.698   36.983   65.518   27.436 19.17964 46.04868 
1 1 1  -19   19    9 o   55.387   23.136   5.2059   5.5410  -8.7310   14.726   7.5047   5.9805   52.201   26.105   61.374   24.642 -9.172256 35.89902 
1 1 1  -19   19   10 o   72.676   25.339   11.291   5.8594   27.090   14.622   8.2690   6.3953   79.846   35.437   62.657   25.368 17.18847 43.58087 
1 1 1  -19   19   11 o   88.161   25.209   16.037   6.0462   14.130   15.309   16.389   6.5812   65.134   31.274   86.297   26.709 -21.16345 41.12663 
1 1 1  -19   19   12 o   48.588   21.940   2.3405   5.8735  -6.4200   14.607   4.0301   6.4150   51.765   25.904   52.430   23.359 -0.6650963 34.88049 
1 1 1  -19   19   13 o  116.584   23.116   25.859   6.7343   42.480   16.146   22.359   7.4095   89.870   38.593   99.272   27.741 -9.402336 47.52866 
1 1 1  -19   19   14 o   48.217   22.138   2.2208   6.3024   21.040   15.347  -1.5964   6.9121   67.190   32.002   44.074   21.123 23.11655 38.34399 
1 1 1  -19   20    1 o  113.670   18.633   21.298   5.2962   17.400   12.655   22.126   5.8315   72.431   32.499  113.228   20.643 -40.79652 38.50123 
1 1 1  -19   20    2 o  106.589   20.437   19.586   5.4373   16.120   13.218   20.292   5.9654   70.064   32.128  105.708   22.478 -35.64457 39.21038 
1 1 1  -19   20    3 o   77.612   24.005   11.979   5.3174   5.8100   14.304   12.968   5.7278   60.287   29.258   79.490   24.969 -19.20274 38.46420 
1 1 1  -19   20    4 o   83.081   24.405   13.809   5.5982   30.220   14.729   11.037   6.0525   84.089   36.486   71.409   25.673 12.68021 44.61270 
1 1 1  -19   20    5 o   42.740   20.544  -3.2315   6.6468  -4.5990   13.938  -2.8290   7.5620   53.059   26.349   45.364   21.832 7.694965 34.21876 
1 1 1  -19   20    6 o   45.696   21.467  -0.4596   6.4735   19.450   13.978  -5.8956   7.3039   71.321   32.827   41.573   20.336 29.74802 38.61590 
1 1 1  -19   20    7 o   47.783   22.033   1.2571   6.3364   3.7770   12.937   0.4619   7.2678   57.029   27.711   48.311   22.711 8.718006 35.82870 
1 1 1  -19   20    8 o   46.361   20.950   1.6500   5.3670   22.210   13.607  -2.1382   5.8405   73.627   33.307   41.484   19.753 32.14389 38.72403 
1 1 1  -19   20    9 o   49.849   22.110   3.2727   5.6835 -22.4600   15.113   7.5118   6.1338   45.727   23.273   59.577   24.567 -13.85009 33.84075 
1 1 1  -19   20   10 o   38.551   18.567  -3.3407   5.4932 -13.5800   14.800  -1.7048   5.9157   48.108   24.328   41.851   19.915 6.256649 31.43958 
1 1 1  -19   20   11 o   49.322   22.107   3.2455   5.8394   22.420   14.896  -0.2362   6.3475   68.694   32.362   44.552   21.030 24.14162 38.59452 
1 1 1  -19   20   12 o   51.611   24.226   3.5820   8.2162  -5.3240   16.598   6.4724   9.4560   51.523   26.020   55.610   26.067 -4.086998 36.83096 
1 1 1  -19   21    1 o   52.439   21.916   4.6717   4.9754   4.2150   13.127   4.7483   5.3765   56.543   27.573   52.867   22.474 3.676128 35.57196 
1 1 1  -19   21    2 o   78.187   23.858   12.565   5.2729   8.7890   13.902   13.200   5.6987   59.856   29.001   78.377   24.939 -18.52068 38.24942 
1 1 1  -19   21    3 o   97.904   23.313   18.632   5.8273   12.530   15.068   19.706   6.3189   62.125   30.122   98.232   24.823 -36.10699 39.03252 
1 1 1  -19   21    4 o   51.576   23.397   3.7052   6.7693   10.090   13.932   1.7320   7.7450   60.324   29.180   49.812   23.426 10.51171 37.41981 
1 1 1  -19   21    5 o   43.552   20.673  -1.0533   6.2974  -3.3780   12.828  -0.3153   7.2283   50.779   25.228   46.330   22.037 4.449081 33.49694 
1 1 1  -19   21    6 o   65.559   24.302   9.5472   5.4854   14.780   13.382   8.4904   6.0139   63.579   30.166   61.340   24.682 2.238605 38.97678 
1 1 1  -19   21    7 o   66.519   25.146   10.377   5.9322   8.2550   15.028   10.769   6.4565   57.756   28.436   66.208   25.916 -8.451931 38.47397 
1 1 1  -19   21    8 o   52.014   22.677   4.8450   5.7457  -5.2010   14.267   6.7898   6.2772   50.010   25.107   56.255   24.108 -6.244789 34.80744 
1 1 1  -19   21    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    0    1 o  283.548   11.693  106.363   8.5548  106.363   8.5548  106.363   8.5548  283.548   11.693  283.548   11.693 -0.000000 0.000000 
1 1 1  -18    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    0    3 o  147.421   14.388   29.618   5.3740   29.618   5.3740   29.618   5.3740  147.421   14.388  147.421   14.388 -0.000000 0.000000 
1 1 1  -18    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    0    5 o   96.070   22.661   14.338   4.8978   14.338   4.8978   14.338   4.8978   96.070   22.661   96.070   22.661 0.000000 0.000000 
1 1 1  -18    0    6 o  105.239   21.973   16.754   5.2793   16.754   5.2793   16.754   5.2793  105.239   21.973  105.239   21.973 0.000000 0.000000 
1 1 1  -18    0    7 o   48.537   26.571   4.8034   4.7802   4.8034   4.7802   4.8034   4.7802   48.537   26.571   48.537   26.571 -0.000000 0.000000 
1 1 1  -18    0    8 o   74.144   28.932   10.456   5.3059   10.456   5.3059   10.456   5.3059   74.144   28.932   74.144   28.932 0.000000 0.000000 
1 1 1  -18    0    9 o   85.511   28.460   12.957   5.6142   12.957   5.6142   12.957   5.6142   85.511   28.460   85.511   28.460 0.000000 0.000000 
1 1 1  -18    0   10 o   37.580   24.177   0.7753   5.4010   0.7753   5.4010   0.7753   5.4010   37.580   24.177   37.580   24.177 -0.000000 0.000000 
1 1 1  -18    0   11 o  170.344   17.616   40.311   7.5824   40.311   7.5824   40.311   7.5824  170.344   17.616  170.344   17.616 0.000000 0.000000 
1 1 1  -18    0   12 o  303.023   14.150  123.073   11.052  123.073   11.052  123.073   11.052  303.023   14.150  303.023   14.150 -0.000000 0.000000 
1 1 1  -18    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    0   14 o   63.025   32.180   8.8361   6.6269   8.8361   6.6269   8.8361   6.6269   63.025   32.180   63.025   32.180 0.000000 0.000000 
1 1 1  -18    0   15 o  199.125   17.502   54.980   8.8668   54.980   8.8668   54.980   8.8668  199.125   17.502  199.125   17.502 -0.000000 0.000000 
1 1 1  -18    0   16 o   73.086   34.298   11.857   7.2837   11.857   7.2837   11.857   7.2837   73.086   34.298   73.086   34.298 0.000000 0.000000 
1 1 1  -18    0   17 o   69.206   34.114   10.967   7.3169   10.967   7.3169   10.967   7.3169   69.206   34.114   69.206   34.114 -0.000000 0.000000 
1 1 1  -18    0   18 o  139.581   25.836   30.256   8.3999   30.256   8.3999   30.256   8.3999  139.581   25.836  139.581   25.836 0.000000 0.000000 
1 1 1  -18    0   19 o   59.922   33.668   8.6208   7.9112   8.6208   7.9112   8.6208   7.9112   59.922   33.668   59.922   33.668 0.000000 0.000000 
1 1 1  -18    0   20 o   32.777   23.167  -7.3109   7.9975  -7.3109   7.9975  -7.3109   7.9975   32.777   23.167   32.777   23.167 0.000000 0.000000 
1 1 1  -18    0   21 o  230.186   19.381   75.836   11.367   75.836   11.367   75.836   11.367  230.186   19.381  230.186   19.381 0.000000 0.000000 
1 1 1  -18    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    0   23 o   38.169   26.293  -2.7398   8.6062  -2.7398   8.6062  -2.7398   8.6062   38.169   26.293   38.169   26.293 0.000000 0.000000 
1 1 1  -18    0   24 o   62.750   35.990   11.123   9.2938   11.123   9.2938   11.123   9.2938   62.750   35.990   62.750   35.990 -0.000000 0.000000 
1 1 1  -18    0   25 o   75.989   38.554   16.164   9.4779   16.164   9.4779   16.164   9.4779   75.989   38.554   75.989   38.554 -0.000000 0.000000 
1 1 1  -18    0   26 o   81.138   39.765   18.606   9.9183   18.606   9.9183   18.606   9.9183   81.138   39.765   81.138   39.765 0.000000 0.000000 
1 1 1  -18    0   27 o  160.034   30.386   44.931   11.275   44.931   11.275   44.931   11.275  160.034   30.386  160.034   30.386 0.000000 0.000000 
1 1 1  -18    0   28 o  209.476   24.247   70.564   12.698   70.564   12.698   70.564   12.698  209.476   24.247  209.476   24.247 -0.000000 0.000000 
1 1 1  -18    0   29 o   70.359   38.951   17.151   10.404   17.151   10.404   17.151   10.404   70.359   38.951   70.359   38.951 -0.000000 0.000000 
1 1 1  -18    0   30 o   34.606   24.685  -6.3666   9.8506  -6.3666   9.8506  -6.3666   9.8506   34.606   24.685   34.606   24.685 -0.000000 0.000000 
1 1 1  -18    1    1 o  253.917   8.1990   84.538   5.3926   81.303   7.5886   87.838   7.6647  247.373   11.843  257.307   11.500 -9.934052 16.50763 
1 1 1  -18    1    2 o  241.291   8.4214   76.397   5.2635   75.212   7.3946   77.614   7.4938  237.518   12.059  241.608   11.974 -4.090286 16.99380 
1 1 1  -18    1    3 o   43.687   16.666   1.9269   2.6209   2.4750   3.8771   1.4657   3.5566   51.147   20.065   46.305   18.855 4.841850 27.53392 
1 1 1  -18    1    4 o   49.466   17.214   3.0829   2.7037   3.8910   3.7337   2.1919   3.9202   56.020   20.162   50.324   20.038 5.695904 28.42517 
1 1 1  -18    1    5 o  171.920   12.260   39.564   5.4240   35.590   10.472   41.022   6.3409  153.729   27.297  174.132   14.181 -20.40242 30.76086 
1 1 1  -18    1    6 o  151.953   10.650   30.705   4.1652   33.098   5.8206   28.193   5.9630  156.071   14.566  143.060   16.387 13.01073 21.92512 
1 1 1  -18    1    7 o   94.494   15.294   12.363   3.6156   14.950   4.9492   9.4009   5.2947  102.321   19.383   79.778   23.810 22.54277 30.70217 
1 1 1  -18    1    8 o  102.677   14.606   14.487   3.7751   12.420   5.2476   16.704   5.4349   91.753   22.298  107.815   20.203 -16.06210 30.08941 
1 1 1  -18    1    9 o  109.497   14.412   16.434   3.9883   15.655   5.5158   17.287   5.7737  103.687   21.251  109.120   21.191 -5.433197 30.01084 
1 1 1  -18    1   10 o  167.702   11.751   37.660   5.0722   38.043   7.0757   37.254   7.2749  165.856   16.697  163.656   17.429 2.200104 24.13630 
1 1 1  -18    1   11 o   82.318   20.245   9.9022   4.2868   6.8688   5.9156   13.257   6.2208   70.627   25.382   93.201   25.174 -22.57387 35.74910 
1 1 1  -18    1   12 o   79.299   21.540   9.3058   4.5392   11.117   6.2773   7.3207   6.5718   85.185   26.039   72.770   26.664 12.41499 37.26899 
1 1 1  -18    1   13 o  116.939   24.040   20.598   7.0385   20.598   7.0385   0.0000   0.0000  116.939   24.040  ?   ?  0.000000 24.03959 
1 1 1  -18    1   14 o   84.886   22.525   10.848   5.0349   15.094   7.0908   6.5314   7.1505   97.751   27.075   70.971   27.413 26.78020 38.52967 
1 1 1  -18    1   15 o   92.275   21.465   12.710   5.0337   7.5313   6.8623   18.742   7.4062   73.058   27.162  109.197   26.461 -36.13874 37.92033 
1 1 1  -18    1   16 o  170.310   13.904   39.706   6.0805   29.682   8.4151   50.657   8.7957  139.878   24.095  189.026   18.188 -49.14757 30.18908 
1 1 1  -18    1   17 o  294.383   10.502  115.683   8.0084  108.105   11.310  123.303   11.342  279.141   15.705  299.786   14.605 -20.64481 21.44706 
1 1 1  -18    1   18 o  139.635   16.648   27.588   5.9027   25.482   8.2170   29.833   8.4849  126.999   25.857  138.959   24.466 -11.95984 35.59747 
1 1 1  -18    1   19 o  111.792   20.751   18.723   5.7877   7.0577   7.8652   32.500   8.5474   71.440   28.402  145.468   23.484 -74.02807 36.85318 
1 1 1  -18    1   20 f   52.264   22.534   1.3095   5.5472   9.7803   7.5406  -8.6818   8.1894   77.667   28.546   46.770   22.562 30.89756 36.38585 
1 1 1  -18    1   21 o  155.702   16.773   34.778   6.6581   21.720   9.1095   49.754   9.7557  109.917   30.775  181.580   21.137 -71.66285 37.33445 
1 1 1  -18    1   22 o  164.685   32.904   49.630   13.545   49.630   13.545   0.0000   0.0000  164.685   32.904  ?   ?  0.000000 32.90431 
1 1 1  -18    1   23 o  124.445   22.416   24.384   6.9599   20.689   9.6047   28.469   10.100  103.199   32.320  123.919   31.420 -20.72008 45.07501 
1 1 1  -18    1   24 o  122.210   23.563   24.189   7.1888   14.897   9.8823   34.634   10.477   86.356   32.498  138.305   30.099 -51.94858 44.29553 
1 1 1  -18    1   25 o   52.545   23.453   0.8012   6.4994  -0.0146   9.1892   1.6179   9.1938   57.786   26.605   60.051   27.251 -2.265007 38.08467 
1 1 1  -18    1   26 o  191.127   16.348   53.450   8.0156   57.791   11.275   49.014   11.398  187.645   23.727  167.566   27.191 20.07922 36.08764 
1 1 1  -18    1   27 o   98.080   27.567   17.871   7.2949   6.3097   10.373   29.184   10.261   67.149   29.822  119.584   32.345 -52.43513 43.99472 
1 1 1  -18    1   28 o   97.870   28.197   18.459   7.5384   11.498   10.436   26.052   10.901   74.514   31.476  105.913   34.566 -31.39819 46.74928 
1 1 1  -18    1   29 o  134.067   23.245   30.587   7.7799   30.018   11.081   31.140   10.926  113.080   34.600  116.994   34.016 -3.914078 48.52068 
1 1 1  -18    1   30 o   69.287   27.632   9.6656   7.4660   8.4005   10.640   10.893   10.479   66.574   29.840   70.335   30.645 -3.760918 42.77368 
1 1 1  -18    2    1 o  286.866   9.6486  108.425   7.1696   98.950   13.486  112.159   8.4650  266.405   19.682  290.883   11.235 -24.47849 22.66241 
1 1 1  -18    2    2 o  195.113   11.744   50.745   5.9080   42.750   7.5763   63.150   9.4373  176.422   16.781  214.432   17.134 -38.00909 23.98252 
1 1 1  -18    2    3 o  202.531   9.1809   53.971   4.8165   55.448   6.8155   52.497   6.8075  203.312   13.010  197.612   13.378 5.700439 18.66071 
1 1 1  -18    2    4 o  293.212   12.175  114.499   9.2471   0.0000   0.0000  114.499   9.2471  ?   ?   293.212   12.175 0.000000 12.17511 
1 1 1  -18    2    5 o  174.789   11.465   40.734   5.1621   39.547   6.3490   43.050   8.8670  170.767   14.490  174.853   19.934 -4.085709 24.64371 
1 1 1  -18    2    6 o  115.277   19.230   18.842   5.5399   0.0000   0.0000   18.842   5.5399  ?   ?   115.277   19.230 0.000000 19.23036 
1 1 1  -18    2    7 o   65.985   18.761   6.2120   3.3586   3.9924   4.5675   8.8249   4.9557   58.557   22.082   77.515   23.013 -18.95736 31.89353 
1 1 1  -18    2    8 o  210.767   9.9796   58.705   5.4484   58.023   7.5802   59.434   7.8366  206.996   14.224  209.302   14.545 -2.306168 20.34364 
1 1 1  -18    2    9 o  233.119   14.291   73.624   8.5878   73.624   8.5878   0.0000   0.0000  233.119   14.291  ?   ?  0.000000 14.29076 
1 1 1  -18    2   10 o  115.901   14.526   18.424   4.2651   24.775   6.0826   12.281   5.9822  132.731   18.169   89.979   24.848 42.75236 30.78159 
1 1 1  -18    2   11 o   49.667   20.002   2.0469   3.9534   4.9506   5.3236  -1.5235   5.9032   63.320   23.848   49.206   22.128 14.11451 32.53255 
1 1 1  -18    2   12 o   54.910   23.193   1.6273   5.6661  -1.4940   6.9466   7.8320   9.7942   53.250   23.970   78.584   31.541 -25.33457 39.61582 
1 1 1  -18    2   13 o   99.655   19.420   14.370   4.8329   16.312   6.9146   12.514   6.7576  102.515   26.000   89.479   26.943 13.03634 37.44269 
1 1 1  -18    2   14 o  200.863   14.087   55.016   7.2832   53.380   13.239   55.726   8.7217  184.437   28.640  199.909   17.004 -15.47194 33.30769 
1 1 1  -18    2   15 o  118.675   17.784   20.029   5.2985   12.842   7.6246   26.741   7.3686   89.292   28.893  134.586   21.889 -45.29401 36.24834 
1 1 1  -18    2   16 o  157.079   14.551   33.997   5.8533   33.692   8.4239   34.281   8.1391  150.657   22.256  152.932   21.109 -2.274643 30.67442 
1 1 1  -18    2   17 o  107.976   20.026   17.164   5.3949   20.221   7.7544   14.297   7.5106  112.198   27.007   93.147   28.483 19.05058 39.25147 
1 1 1  -18    2   18 o  129.960   17.677   24.202   5.7963   25.347   7.9565   22.907   8.4610  127.299   25.022  118.143   28.064 9.156273 37.59893 
1 1 1  -18    2   19 o  100.978   22.288   15.683   5.6737   14.815   8.0488   16.541   7.9991   92.802   29.651   98.298   29.250 -5.495209 41.64974 
1 1 1  -18    2   20 o  176.087   14.642   43.265   6.6181   56.571   9.6560   31.477   9.0885  196.622   19.204  139.820   26.053 56.80165 32.36568 
1 1 1  -18    2   21 o  130.048   20.527   25.509   6.6856   36.762   9.6493   15.119   9.2716  151.052   25.574   90.434   31.853 60.61764 40.84898 
1 1 1  -18    2   22 o  149.665   26.500   37.014   9.8973   37.014   9.8973   0.0000   0.0000  149.665   26.500  ?   ?  0.000000 26.49962 
1 1 1  -18    2   23 o  104.781   28.171   19.411   7.8113   36.290   14.824   12.923   9.1908  124.333   40.294   83.046   31.322 41.28733 51.03603 
1 1 1  -18    2   24 o  178.648   16.895   46.576   7.7256   45.754   11.053   47.362   10.802  164.068   26.945  169.039   25.460 -4.971649 37.07053 
1 1 1  -18    2   25 o  160.276   18.512   38.614   7.5441   29.380   10.675   47.827   10.663  121.031   33.099  169.554   25.031 -48.52360 41.49754 
1 1 1  -18    2   26 o   54.826   24.212   1.9189   6.7433  -0.1912   9.5480   4.0188   9.5250   57.682   26.755   63.452   28.352 -5.770004 38.98265 
1 1 1  -18    2   27 o   44.331   21.084  -4.3317   6.6148  -5.8358   9.4140  -2.8649   9.2966   50.666   24.378   53.447   25.296 -2.780888 35.13078 
1 1 1  -18    2   28 o  118.333   25.709   24.866   7.6550   25.499   10.825   24.233   10.827  104.535   34.462  101.275   34.480 3.259796 48.74924 
1 1 1  -18    2   29 o   60.907   25.846   5.5933   7.0886   4.6828   9.9166   6.5446   10.137   62.171   28.247   64.980   29.126 -2.809467 40.57383 
1 1 1  -18    2   30 f   43.909   21.350  -6.5708   7.7128 -10.9900   12.252  -3.6701   9.9265   50.449   24.992   51.709   24.918 -1.260735 35.29207 
1 1 1  -18    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    3    2 o  106.888   14.518   15.632   3.9157   19.490   8.4139   14.565   4.4240  112.106   28.817  101.981   17.370 10.12510 33.64683 
1 1 1  -18    3    3 o  206.785   13.083   57.399   6.9715   0.0000   0.0000   57.399   6.9715  ?   ?   206.785   13.083 0.000000 13.08279 
1 1 1  -18    3    4 o  133.491   16.158   24.538   5.4735   0.0000   0.0000   24.538   5.4735  ?   ?   133.491   16.158 0.000000 16.15837 
1 1 1  -18    3    5 o  134.887   11.385   24.321   3.9407   19.563   5.4702   29.455   5.6816  117.859   18.530  146.859   15.153 -28.99950 23.93678 
1 1 1  -18    3    6 o  277.582   10.884  102.152   7.8259   77.440   14.057  113.252   9.4210  230.973   23.838  291.212   12.489 -60.23932 26.91125 
1 1 1  -18    3    7 f  208.521   9.8910   57.433   5.3425   58.700   7.4121   56.064   7.7073  208.492   13.803  203.154   14.747 5.338928 20.19860 
1 1 1  -18    3    8 o  146.126   11.443   28.563   4.2969   20.210   5.8575   38.295   6.3225  119.026   19.687  167.683   14.705 -48.65662 24.57227 
1 1 1  -18    3    9 o   95.125   17.112   12.755   4.0614   14.124   5.6664   11.308   5.8241   97.500   22.837   86.532   24.741 10.96773 33.66999 
1 1 1  -18    3   10 o  191.204   11.139   48.777   5.4932   45.872   7.7003   51.787   7.8387  182.277   16.487  194.287   15.710 -12.00958 22.77379 
1 1 1  -18    3   11 o   64.511   22.585   5.6783   4.6570   6.7970   6.8079   4.6944   6.3845   71.628   26.970   64.972   25.665 6.655716 37.23009 
1 1 1  -18    3   12 o   36.340   17.496  -6.4445   4.8686 -10.9367   5.7972   4.3060   8.9682   35.880   17.665   69.814   29.317 -33.93423 34.22744 
1 1 1  -18    3   13 o   69.982   26.924   6.3047   6.8763   0.0000   0.0000   6.3047   6.8763  ?   ?    69.982   26.924 0.000000 26.92429 
1 1 1  -18    3   14 f  108.125   26.819   18.421   7.4748   10.140   12.292   23.280   9.4159   85.029   34.887  118.961   30.433 -33.93199 46.29533 
1 1 1  -18    3   15 o  207.169   12.030   57.840   6.4281   50.786   9.3248   64.227   8.8733  188.360   19.389  215.160   16.036 -26.80074 25.16125 
1 1 1  -18    3   16 o  139.141   15.506   26.967   5.4936   25.757   7.9940   28.049   7.5623  129.380   24.755  137.371   21.995 -7.990692 33.11455 
1 1 1  -18    3   17 o   99.903   21.675   15.065   5.4479   15.115   7.8562   15.019   7.5613   95.140   29.138   95.273   28.458 -0.1327820 40.72927 
1 1 1  -18    3   18 o   77.766   23.750   9.4264   5.2237   7.1032   7.4730   11.646   7.3047   71.342   27.893   84.177   28.324 -12.83537 39.75264 
1 1 1  -18    3   19 o   38.765   18.469  -5.1608   5.1202   14.214   7.4571 -22.4429   7.0428   91.585   28.445   32.534   16.489 59.05028 32.87849 
1 1 1  -18    3   20 o  114.515   21.896   20.126   6.2584   14.720   8.7560   25.773   8.9485   90.603   31.007  123.405   28.560 -32.80153 42.15578 
1 1 1  -18    3   21 o  170.475   21.360   44.160   9.2250   62.570   12.526   22.340   13.637  198.109   24.964  100.930   38.132 97.17933 45.57697 
1 1 1  -18    3   22 o   49.874   22.338  -0.1652   5.9503   5.9947   7.9297  -8.1034   9.0018   67.153   27.833   49.197   23.713 17.95510 36.56462 
1 1 1  -18    3   23 o   88.008   29.332   14.240   7.8346  -0.5025   14.742   20.043   9.2489   67.502   31.920  101.936   31.681 -34.43403 44.97298 
1 1 1  -18    3   24 o  103.396   25.364   18.158   6.7418   24.139   9.3623   11.717   9.7162  112.531   31.088   78.946   31.510 33.58462 44.26497 
1 1 1  -18    3   25 o  111.660   24.740   21.018   6.9674   27.834   9.6715   13.664   10.046  120.961   30.789   82.036   32.261 38.92519 44.59531 
1 1 1  -18    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    3   27 o   99.056   26.809   17.969   7.0466   18.524   10.066   17.436   9.8681   90.821   33.042   88.604   32.643 2.216103 46.44662 
1 1 1  -18    3   28 o  129.134   23.773   28.399   7.6590   27.235   10.695   29.624   10.973  109.279   34.086  114.361   34.310 -5.081909 48.36329 
1 1 1  -18    3   29 o  104.782   27.031   20.876   7.3850   14.537   10.225   27.789   10.678   78.328   31.941  108.397   34.098 -30.06973 46.72155 
1 1 1  -18    3   30 o   74.552   29.398   12.442   8.3626   7.4610   12.931   16.023   10.964   65.630   30.673   78.091   32.577 -12.46106 44.74451 
1 1 1  -18    4    1 o  179.822   15.128   43.989   6.9812   40.320   10.888   46.550   9.0975  164.452   26.457  182.161   19.588 -17.70865 32.91889 
1 1 1  -18    4    2 o  167.861   9.5339   37.249   4.1283   21.350   9.7505   40.722   4.5570  115.436   31.659  175.330   10.076 -59.89365 33.22362 
1 1 1  -18    4    3 f  103.149   17.264   14.902   4.4497   19.130   9.3835   13.675   5.0541  109.319   31.449   97.223   20.704 12.09589 37.65206 
1 1 1  -18    4    4 o   56.407   17.763   4.3783   2.8968   1.8139   3.7616   8.1158   4.5411   48.311   19.492   74.681   21.992 -26.36990 29.38697 
1 1 1  -18    4    5 o  214.811   9.5245   60.848   5.2997   57.531   7.4061   64.330   7.5869  206.371   13.936  218.565   13.466 -12.19395 19.37943 
1 1 1  -18    4    6 o  169.188   13.186   38.589   5.7330   42.940   11.064   36.991   6.7030  169.631   26.010  164.146   15.967 5.485031 30.52012 
1 1 1  -18    4    7 f  141.320   11.935   26.799   4.3281   20.570   5.9856   33.624   6.2655  119.957   19.965  156.541   15.662 -36.58344 25.37527 
1 1 1  -18    4    8 o  142.199   12.354   27.214   4.5051   21.258   6.2563   33.628   6.4925  121.532   20.610  156.117   16.295 -34.58477 26.27366 
1 1 1  -18    4    9 o  121.785   14.379   20.302   4.4485   23.578   6.0805   16.530   6.5252  129.094   18.731  104.637   24.505 24.45769 30.84396 
1 1 1  -18    4   10 o  234.074   10.179   72.592   6.1720   82.150   8.8160   63.403   8.6436  246.310   13.874  215.039   15.624 31.27075 20.89538 
1 1 1  -18    4   11 o  100.771   23.539   15.287   6.0334   6.8720   7.9147   26.960   9.3218   73.499   28.715  131.127   28.276 -57.62768 40.29993 
1 1 1  -18    4   12 o  103.488   19.292   15.450   4.9813   21.228   6.9423   9.3182   7.1516  119.178   23.323   79.070   27.962 40.10871 36.41189 
1 1 1  -18    4   13 o  171.117   13.041   39.694   5.7367   40.384   8.3864   39.087   7.8647  168.042   19.637  166.086   18.600 1.955673 27.04781 
1 1 1  -18    4   14 o  185.567   19.963   49.483   9.4448   35.410   14.462   59.950   12.472  137.648   38.859  199.502   24.660 -61.85368 46.02284 
1 1 1  -18    4   15 o  169.576   13.947   39.379   6.0718   41.278   8.5390   37.437   8.6354  169.116   19.872  159.709   21.413 9.407425 29.21291 
1 1 1  -18    4   16 o   45.930   20.315  -0.4195   4.7660  -2.4438   6.5649   1.8362   6.9301   49.507   22.680   58.597   25.226 -9.090439 33.92210 
1 1 1  -18    4   17 o   34.653   16.926  -8.1056   5.0058  -7.9466   6.7450  -8.3005   7.4687   42.642   20.547   45.078   21.695 -2.436237 29.88058 
1 1 1  -18    4   18 o   56.999   23.031   3.3839   5.2598   6.5751   7.2678  -0.1256   7.6217   69.547   27.412   56.410   25.272 13.13650 37.28379 
1 1 1  -18    4   19 o   81.733   25.129   10.783   5.8366   10.135   8.2612   11.429   8.2472   78.912   29.710   82.342   29.916 -3.429504 42.16214 
1 1 1  -18    4   20 o  113.840   21.120   19.739   5.9986   24.904   8.6537   14.961   8.3225  121.476   28.066   91.571   30.218 29.90475 41.24140 
1 1 1  -18    4   21 o   64.691   27.219   4.7935   7.7551   18.690   9.7749 -18.8100   12.739   98.625   32.759   51.317   25.434 47.30828 41.47293 
1 1 1  -18    4   22 o   63.758   25.063   5.7196   6.0608   13.509   8.7321  -1.5213   8.4189   85.282   30.814   54.982   25.368 30.29979 39.91268 
1 1 1  -18    4   23 f   62.610   26.784   4.3156   7.7242  -1.5650   14.901   6.4762   9.0324   66.509   31.637   68.605   29.146 -2.095818 43.01621 
1 1 1  -18    4   24 o   47.174   21.709  -1.6314   6.1094   4.3056   8.7033  -7.3987   8.5780   63.620   27.818   47.861   23.089 15.75909 36.15192 
1 1 1  -18    4   25 o  136.135   20.588   28.931   7.0332   28.811   10.097   29.045   9.8028  121.355   31.753  123.468   30.763 -2.113197 44.21146 
1 1 1  -18    4   26 f   58.179   24.625   3.9933   6.4087   5.1333   9.1594   2.9000   8.9701   64.362   28.330   60.566   27.253 3.796455 39.31037 
1 1 1  -18    4   27 o   98.840   26.388   17.799   6.8829   24.897   9.8590   11.050   9.6133  108.108   32.542   74.392   30.724 33.71565 44.75399 
1 1 1  -18    4   28 o  139.339   21.790   31.901   7.6072   28.961   10.714   34.892   10.803  113.251   33.885  129.251   32.345 -16.00027 46.84483 
1 1 1  -18    4   29 o   95.759   28.100   18.378   7.4255   12.709   10.338   24.419   10.672   74.302   31.353   98.933   34.214 -24.63105 46.40742 
1 1 1  -18    4   30 o   53.471   25.331  -0.5100   9.3638  -6.1460   12.243   7.4350   14.536   53.127   26.058   65.647   31.232 -12.52065 40.67556 
1 1 1  -18    5    1 o  119.051   20.655   20.324   6.1386   18.190   9.8494   21.680   7.8497  105.972   32.654  119.855   26.030 -13.88299 41.75890 
1 1 1  -18    5    2 o  154.007   9.5538   31.389   3.7924   31.710   10.041   31.335   4.0958  144.172   27.896  153.591   10.355 -9.418976 29.75619 
1 1 1  -18    5    3 o  189.394   9.8721   47.484   4.8264   41.480   11.442   48.784   5.3231  165.450   27.675  191.584   10.770 -26.13409 29.69698 
1 1 1  -18    5    4 o  117.443   15.979   19.071   4.7349   21.470   9.2491   18.219   5.5119  116.187   30.387  113.060   19.527 3.127274 36.11993 
1 1 1  -18    5    5 o  181.030   14.663   44.564   6.8165   0.0000   0.0000   44.564   6.8165  ?   ?   181.030   14.663 0.000000 14.66254 
1 1 1  -18    5    6 o  102.986   24.550   15.969   6.4564   19.670   10.245   13.530   8.3156  109.118   33.246   92.844   30.185 16.27347 44.90435 
1 1 1  -18    5    7 o   39.865   17.493  -0.4422   3.4687  -0.1922   4.6903  -0.7439   5.1533   46.759   20.434   47.624   21.091 -0.8653412 29.36666 
1 1 1  -18    5    8 o  135.919   13.221   25.036   4.5957   19.799   6.2786   31.079   6.7450  116.525   21.597  149.032   17.826 -32.50620 28.00343 
1 1 1  -18    5    9 o  218.553   15.522   65.435   8.7302   0.0000   0.0000   65.435   8.7302  ?   ?   218.553   15.522 0.000000 15.52218 
1 1 1  -18    5   10 o  200.610   14.677   54.920   7.5739   53.080   10.142   57.240   11.388  192.535   20.660  198.216   22.582 -5.680710 30.60698 
1 1 1  -18    5   11 o  146.744   13.309   29.251   5.0038   24.665   6.8413   34.527   7.3378  130.306   20.981  156.326   18.478 -26.01961 27.95786 
1 1 1  -18    5   12 o   53.631   21.443   2.7184   4.5074  -0.5892   6.3113   6.1618   6.4396   52.304   23.244   68.769   26.150 -16.46493 34.98755 
1 1 1  -18    5   13 f   66.069   22.813   6.1742   4.7435   5.1974   6.7057   7.1525   6.7111   66.428   26.283   71.830   26.830 -5.401436 37.55854 
1 1 1  -18    5   14 o   72.102   28.755   6.5806   8.0849  -5.3140   12.366   15.460   10.685   63.492   29.777   94.862   34.110 -31.36931 45.27825 
1 1 1  -18    5   15 o  209.961   12.038   59.516   6.5199   53.059   8.8655   67.122   9.6219  193.544   17.886  218.580   17.131 -25.03537 24.76683 
1 1 1  -18    5   16 o   93.299   22.562   13.330   5.3930   4.9242   7.5586   22.046   7.6969   66.669   27.356  118.130   25.870 -51.46071 37.65109 
1 1 1  -18    5   17 o   94.757   23.409   13.984   5.7120   8.2747   7.7990   20.590   8.3893   74.717   28.691  110.876   28.912 -36.15892 40.73156 
1 1 1  -18    5   18 o   53.600   22.403   2.2479   5.1996   0.6238   6.9265   4.3449   7.8705   55.479   24.517   65.221   27.430 -9.742069 36.78983 
1 1 1  -18    5   19 o  102.289   23.107   16.418   5.9779   23.617   8.4094   9.0634   8.4993  118.800   27.817   76.042   29.743 42.75809 40.72389 
1 1 1  -18    5   20 o  102.254   25.416   17.176   6.7027   14.200   10.160   19.469   8.9187   87.328   32.934  103.424   30.910 -16.09531 45.16724 
1 1 1  -18    5   21 o   82.752   26.547   11.662   6.4470   13.736   9.0907   9.5641   9.1444   86.031   31.385   76.096   30.500 9.934959 43.76407 
1 1 1  -18    5   22 o  114.573   22.872   20.926   6.5502   17.664   9.2132   24.259   9.3145   95.447   31.808  114.486   30.755 -19.03866 44.24522 
1 1 1  -18    5   23 o  128.012   32.307   31.428   10.713  -2.1650   16.187   57.610   14.290   67.272   32.263  174.924   32.742 -107.6512 45.96693 
1 1 1  -18    5   24 o   85.055   26.833   12.978   6.6080   20.749   9.6630   6.1515   9.0566  100.686   32.522   67.069   28.855 33.61749 43.47743 
1 1 1  -18    5   25 o   89.456   27.461   14.755   6.9736   11.861   10.360   17.151   9.4297   77.457   31.933   90.459   32.095 -13.00159 45.27463 
1 1 1  -18    5   26 o  134.833   21.274   29.063   7.1836   22.386   10.264   35.473   10.057  100.564   33.576  138.528   28.960 -37.96365 44.33988 
1 1 1  -18    5   27 o   52.191   23.580   0.8902   6.7943  -1.6227   9.4804   3.5438   9.7422   54.676   25.776   61.574   27.984 -6.897770 38.04623 
1 1 1  -18    5   28 o   98.315   27.045   18.401   7.1029   25.739   10.173   11.424   9.9212  106.276   33.259   73.236   30.799 33.03991 45.32940 
1 1 1  -18    5   29 o   63.925   26.416   7.3031   7.1121   2.6369   10.037   12.009   10.079   58.770   27.318   72.642   30.822 -13.87211 41.18576 
1 1 1  -18    5   30 o   65.458   28.244   8.6498   8.7286  -2.6901   10.526   33.610   15.617   52.857   25.519   93.879   38.997 -41.02197 46.60451 
1 1 1  -18    6    1 o  212.695   14.779   61.446   8.0918   53.970   12.288   67.170   10.752  190.902   25.487  219.066   19.140 -28.16449 31.87350 
1 1 1  -18    6    2 o  129.603   10.098   22.334   3.3634   27.450   9.6530   21.627   3.5883  132.897   28.867  127.218   10.997 5.679428 30.89107 
1 1 1  -18    6    3 o  209.580   9.5045   57.949   5.1597   52.760   12.157   59.089   5.6985  188.512   25.554  211.245   10.414 -22.73221 27.59481 
1 1 1  -18    6    4 o  144.817   11.952   28.142   4.4432   25.030   10.350   28.846   4.9197  124.144   31.986  146.104   13.140 -21.95995 34.58007 
1 1 1  -18    6    5 o  156.424   11.543   32.743   4.6441   34.610   10.869   32.326   5.1365  149.083   29.192  154.793   12.929 -5.710678 31.92661 
1 1 1  -18    6    6 o  223.367   15.765   68.346   9.0630   69.490   13.633   67.440   12.132  217.013   24.692  216.514   21.934 0.4987488 33.02763 
1 1 1  -18    6    7 o  169.465   11.426   38.414   4.9864   29.810   6.7508   48.743   7.3970  145.589   18.306  188.728   15.262 -43.13956 23.83326 
1 1 1  -18    6    8 o   91.108   25.818   12.768   6.3712   0.0000   0.0000   12.768   6.3712  ?   ?    91.108   25.818 0.000000 25.81773 
1 1 1  -18    6    9 o  108.739   20.987   17.269   5.6973   25.300   7.6267   7.1300   8.5698  130.504   23.422   75.159   29.721 55.34508 37.84034 
1 1 1  -18    6   10 o  166.010   12.609   37.212   5.3815   29.754   7.4967   45.141   7.7299  143.450   20.780  180.230   16.749 -36.77994 26.69016 
1 1 1  -18    6   11 o  215.718   11.076   62.203   6.1684   63.043   8.6169   61.321   8.8340  213.904   15.661  210.398   16.337 3.505219 22.63117 
1 1 1  -18    6   12 o   83.429   21.338   10.394   4.6297   10.964   6.3608   9.7509   6.7514   83.943   26.304   79.822   27.228 4.120621 37.85813 
1 1 1  -18    6   13 o   92.735   21.310   12.842   5.0114   13.353   7.0706   12.328   7.1039   91.295   27.576   87.847   27.834 3.448219 39.18079 
1 1 1  -18    6   14 o  103.947   29.488   17.931   8.3070  -8.3980   12.792   37.130   10.924   61.295   29.200  152.004   28.798 -90.70924 41.01146 
1 1 1  -18    6   15 o   62.026   23.148   5.0761   4.9932   8.2857   6.9280   1.6067   7.2030   74.542   27.368   58.846   25.524 15.69584 37.42268 
1 1 1  -18    6   16 o  118.958   19.265   20.673   5.7333   20.552   8.0005   20.801   8.2201  112.030   27.721  112.221   28.287 -0.1908264 39.60569 
1 1 1  -18    6   17 o  123.995   18.102   22.247   5.6428   16.682   7.9295   27.956   8.0318   99.026   29.033  134.336   23.961 -35.30956 37.64319 
1 1 1  -18    6   18 o   60.299   23.316   4.6712   5.1773   3.9490   6.9147   5.5926   7.8104   62.097   25.885   67.494   27.764 -5.396599 37.95874 
1 1 1  -18    6   19 o   39.764   18.819  -4.3954   5.1426 -10.5985   6.8530   3.6004   7.7805   39.854   19.538   62.780   26.870 -22.92516 33.22246 
1 1 1  -18    6   20 o  118.229   28.771   24.262   8.7275   28.100   11.602   19.260   13.245  118.779   35.200   94.829   37.119 23.94961 51.15519 
1 1 1  -18    6   21 o   66.196   24.943   6.6440   5.8252   10.341   8.2504   2.9690   8.2258   77.314   29.552   61.536   26.972 15.77810 40.01005 
1 1 1  -18    6   22 o   90.706   26.508   14.330   6.6200   14.127   9.0536   14.563   9.7044   85.667   31.311   86.050   32.239 -0.3827057 44.94129 
1 1 1  -18    6   23 o   82.237   29.976   12.829   8.2901   10.530   15.565   13.740   9.7948   77.756   35.352   83.072   32.085 -5.316772 47.74115 
1 1 1  -18    6   24 o   52.105   23.158   1.0378   6.2668  -0.6353   8.6899   2.8510   9.0462   55.547   25.679   61.239   27.478 -5.692554 37.60910 
1 1 1  -18    6   25 f   64.906   25.948   6.6550   6.5999   10.218   9.3917   3.1791   9.2766   73.880   30.424   61.512   27.693 12.36795 41.14094 
1 1 1  -18    6   26 o  138.012   21.751   30.839   7.5185   33.169   10.906   28.730   10.379  126.395   32.968  116.769   32.904 9.626541 46.57822 
1 1 1  -18    6   27 o   71.598   27.193   9.6852   6.9580   16.586   9.7202   2.4337   9.9645   85.184   32.191   59.995   27.652 25.18889 42.43732 
1 1 1  -18    6   28 o   70.552   27.494   9.7568   7.2423   13.095   9.9898   6.0584   10.515   75.702   31.297   64.266   29.156 11.43570 42.77310 
1 1 1  -18    6   29 o   50.466   23.562  -0.4487   7.5998   5.7610   11.829  -4.8132   9.9172   63.375   29.524   50.522   24.482 12.85252 38.35463 
1 1 1  -18    7    1 o   95.070   25.707   13.803   6.4824  -7.2260   9.9229   29.460   8.5620   55.983   26.385  140.973   24.326 -84.99023 35.88807 
1 1 1  -18    7    2 o  161.132   9.7233   34.417   4.0393   17.810   10.492   37.307   4.3767  103.604   33.916  167.622   10.128 -64.01777 35.39590 
1 1 1  -18    7    3 o  114.828   13.253   17.923   3.8697   3.7550   9.6813   20.617   4.2216   70.879   30.145  123.165   13.451 -52.28542 33.01021 
1 1 1  -18    7    4 o  188.018   10.623   47.039   5.1524   27.690   12.053   51.365   5.6994  127.362   35.308  196.178   11.263 -68.81545 37.06069 
1 1 1  -18    7    5 o   85.788   18.187   10.545   3.9160   21.480   9.8708   8.5023   4.2661  114.234   32.053   76.118   20.968 38.11555 38.30212 
1 1 1  -18    7    6 o  119.548   18.697   20.304   5.6002   4.9220   10.960   25.738   6.5148   75.231   32.038  134.520   19.245 -59.28885 37.37349 
1 1 1  -18    7    7 o  114.229   20.093   18.837   5.7283   0.5896   10.927   25.752   6.7267   68.252   30.441  134.005   19.990 -65.75349 36.41829 
1 1 1  -18    7    8 o   64.867   22.399   5.8372   4.5733   5.0130   5.7239   7.2920   7.6048   64.201   24.597   73.980   28.350 -9.779434 37.53280 
1 1 1  -18    7    9 o   49.911   20.024   2.1815   3.9455  -3.6989   5.2929   9.5347   5.9188   42.474   19.775   79.329   25.435 -36.85455 32.21771 
1 1 1  -18    7   10 o   59.426   21.497   4.6082   4.2517   12.814   5.7453  -5.3258   6.3215   91.579   23.948   44.614   21.037 46.96486 31.87594 
1 1 1  -18    7   11 f  169.782   12.647   39.020   5.5220   38.145   7.8878   39.861   7.7330  163.592   18.966  167.962   18.058 -4.370911 26.18765 
1 1 1  -18    7   12 o   50.948   21.152   1.7854   4.5906  -6.7038   6.3222   11.253   6.6765   42.651   20.376   84.499   27.006 -41.84758 33.83043 
1 1 1  -18    7   13 o   45.819   20.198  -0.3155   4.6723  -1.0260   6.4943   0.4468   6.7271   51.765   23.250   55.330   24.318 -3.564457 33.64436 
1 1 1  -18    7   14 o  154.331   23.921   36.217   9.2531   31.790   14.470   39.280   12.036  126.476   39.679  152.985   31.423 -26.50937 50.61467 
1 1 1  -18    7   15 o  236.167   11.548   75.063   7.0643   72.704   10.099   77.323   9.8853  226.659   17.333  234.863   16.351 -8.204468 23.82795 
1 1 1  -18    7   16 o   55.748   22.851   2.9233   5.2675  -4.2492   7.4684   10.023   7.4306   49.723   23.262   79.057   28.443 -29.33461 36.74417 
1 1 1  -18    7   17 o   89.499   23.441   12.650   5.4990   10.958   7.9430   14.207   7.6205   81.175   29.379   91.138   28.823 -9.963333 41.15695 
1 1 1  -18    7   18 o   90.699   25.025   13.419   6.0711   12.536   8.3737   14.398   8.8151   84.731   30.225   89.501   31.087 -4.769714 43.35854 
1 1 1  -18    7   19 o  217.732   17.546   68.547   9.8117   73.900   12.915   61.240   15.089  217.923   23.238  184.220   32.823 33.70348 40.21673 
1 1 1  -18    7   20 o   81.074   25.663   11.060   6.0401   9.3965   8.4805   12.772   8.6050   75.274   29.629   83.695   30.535 -8.420570 42.54708 
1 1 1  -18    7   21 o   87.151   26.014   13.061   6.3200   10.376   8.5908   16.229   9.3308   76.898   29.951   91.086   31.964 -14.18750 43.80356 
1 1 1  -18    7   22 o  140.824   19.940   30.325   7.0704   37.650   9.4770   21.129   10.618  150.761   25.154   99.953   34.146 50.80803 42.41088 
1 1 1  -18    7   23 f   76.752   29.173   10.857   8.0116 -20.1700   15.519   22.131   9.3545   54.538   27.200  105.490   31.686 -50.95108 41.75953 
1 1 1  -18    7   24 o   43.978   20.686  -3.2968   6.0432  -7.7941   8.1838   2.0960   8.9618   45.818   22.212   59.611   26.993 -13.79256 34.95679 
1 1 1  -18    7   25 o  112.876   24.361   21.743   6.9140   20.168   9.8020   23.302   9.7540   96.063   32.807  104.871   32.525 -8.807648 46.19767 
1 1 1  -18    7   26 o  159.997   19.184   39.820   7.7920   52.584   11.315   28.309   10.746  172.773   26.097  112.670   33.987 60.10301 42.85047 
1 1 1  -18    7   27 o   79.280   27.816   12.565   7.0663   14.943   9.5501   9.6880   10.504   80.878   31.557   70.192   30.630 10.68605 43.97789 
1 1 1  -18    7   28 o   96.124   27.975   18.557   7.3864   21.657   10.157   15.076   10.762   93.424   33.292   77.717   32.335 15.70615 46.41004 
1 1 1  -18    7   29 o   62.731   28.160   6.7737   9.5134   4.2270   12.017   11.050   15.572   61.187   28.899   68.442   32.493 -7.255009 43.48497 
1 1 1  -18    8    1 o  193.720   16.334   51.747   8.1197   45.230   12.018   57.220   11.014  171.534   28.015  199.339   21.680 -27.80495 35.42354 
1 1 1  -18    8    2 o  124.058   11.642   20.692   3.6974   18.540   10.773   20.980   3.9365  104.791   34.370  124.640   12.356 -19.84816 36.52376 
1 1 1  -18    8    3 o  142.274   11.720   27.183   4.2808   12.350   10.819   29.937   4.6612   89.604   33.938  149.144   12.171 -59.54064 36.05410 
1 1 1  -18    8    4 o  102.435   15.450   14.582   3.9721   20.050   10.135   13.590   4.3175  109.367   33.010   97.825   17.690 11.54224 37.45088 
1 1 1  -18    8    5 o   48.211   19.116   2.1172   3.5544   1.3860   9.9858   2.2233   3.8035   67.119   29.560   49.580   19.738 17.53933 35.54465 
1 1 1  -18    8    6 f  122.897   22.046   22.209   6.7601   0.0000   0.0000   22.209   6.7601  ?   ?   122.897   22.046 0.000000 22.04556 
1 1 1  -18    8    7 o  123.213   19.515   21.804   6.0208   0.0000   0.0000   21.804   6.0208  ?   ?   123.213   19.515 0.000000 19.51502 
1 1 1  -18    8    8 o  235.871   12.710   75.061   7.7367  130.200   15.211   55.819   8.9857  302.996   19.485  199.698   17.549 103.2971 26.22255 
1 1 1  -18    8    9 o   89.885   19.634   11.819   4.4433   12.726   5.9669   10.690   6.6573   90.802   24.709   82.952   27.010 7.849831 36.60719 
1 1 1  -18    8   10 o  144.844   13.680   28.680   5.0717   31.405   7.1487   25.919   7.1964  148.132   19.074  132.607   21.702 15.52472 28.89238 
1 1 1  -18    8   11 o   60.668   22.448   4.7787   4.6761   5.5618   6.5946   3.9868   6.6317   66.895   26.189   62.925   25.699 3.969975 36.69215 
1 1 1  -18    8   12 o   51.157   21.185   1.9113   4.5888  -4.5435   6.3162   9.1263   6.6778   45.386   21.283   77.206   27.044 -31.82018 34.41434 
1 1 1  -18    8   13 o  128.882   17.137   23.589   5.5791   19.568   7.8392   27.717   7.9419  109.775   27.598  134.955   23.577 -25.17995 36.29784 
1 1 1  -18    8   14 o   57.908   26.256  -0.9879   8.5115   0.3885   13.020  -2.0150   11.248   69.927   31.999   63.516   29.311 6.411419 43.39482 
1 1 1  -18    8   15 o   88.328   23.413   12.223   5.4435   6.8743   7.4535   18.338   7.9687   70.565   27.776  104.424   28.613 -33.85932 39.87769 
1 1 1  -18    8   16 o  121.784   19.416   21.876   5.9192   15.220   8.0939   29.529   8.6787   93.642   29.714  136.235   25.531 -42.59304 39.17612 
1 1 1  -18    8   17 o  161.904   23.721   40.810   9.6531   0.0000   0.0000   40.810   9.6531  ?   ?   161.904   23.721 0.000000 23.72120 
1 1 1  -18    8   18 o  214.751   14.561   64.511   8.0520   88.650   13.916   52.364   9.8723  239.877   22.665  186.460   20.794 53.41664 30.75914 
1 1 1  -18    8   19 o   94.357   27.613   15.503   7.1787   17.354   8.8918   12.040   12.165   96.178   31.210   81.645   34.208 14.53253 46.30635 
1 1 1  -18    8   20 o  109.782   22.982   19.296   6.3257   29.213   8.7464   8.4191   9.1598  131.743   26.548   72.913   30.039 58.82941 40.08875 
1 1 1  -18    8   21 o   65.294   25.679   6.3888   6.3654   16.242   8.8681  -4.0831   9.1422   91.212   31.205   53.104   25.119 38.10794 40.05915 
1 1 1  -18    8   22 o   59.616   25.971   3.3237   7.5237   2.4284   9.4351   4.8870   12.468   61.603   27.813   68.879   31.441 -7.276497 41.97766 
1 1 1  -18    8   23 o  131.499   26.349   29.975   8.6623   26.270   17.735   31.136   9.9270   93.419   40.285  128.459   30.321 -35.04003 50.42051 
1 1 1  -18    8   24 o   65.176   26.079   6.8127   6.6729   7.8327   9.6832   5.8902   9.2085   69.206   29.806   65.506   28.629 3.700562 41.32800 
1 1 1  -18    8   25 o  120.728   24.173   24.876   7.2957   23.342   9.8750   26.719   10.826  103.473   32.820  108.606   34.354 -5.133148 47.51154 
1 1 1  -18    8   26 o   94.078   27.220   16.909   7.0115   24.790   9.7740   8.5535   10.064  106.325   32.490   68.729   29.987 37.59585 44.21277 
1 1 1  -18    8   27 o   58.745   25.450   4.6544   7.1442   9.2607   10.163   0.1537   10.045   68.693   30.047   56.415   26.576 12.27827 40.11434 
1 1 1  -18    8   28 o   55.252   24.938   2.8438   7.5773   6.7500   11.600  -0.0637   10.008   64.289   29.702   55.189   26.157 9.099525 39.57804 
1 1 1  -18    8   29 o   64.004   26.944   8.1318   7.6057   24.546   10.744  -8.3549   10.768   93.929   34.143   48.477   23.907 45.45245 41.68044 
1 1 1  -18    9    1 o  156.954   19.363   35.034   7.7053   21.920   11.473   45.810   10.400  112.220   35.352  176.374   23.337 -64.15373 42.36013 
1 1 1  -18    9    2 o  152.250   10.906   30.994   4.2725   34.450   11.646   30.456   4.5927  145.184   31.844  150.482   11.879 -5.297272 33.98798 
1 1 1  -18    9    3 f  102.167   16.502   14.668   4.2183   12.210   10.449   15.147   4.6107   88.543   33.397  103.175   17.901 -14.63260 37.89218 
1 1 1  -18    9    4 o  244.992   9.7969   79.502   6.2171   41.230   13.438   89.925   7.0127  156.535   34.107  260.186   10.405 -103.6513 35.65875 
1 1 1  -18    9    5 o  153.771   21.571   34.460   8.3556   0.0000   0.0000   34.460   8.3556  ?   ?   153.771   21.571 0.000000 21.57087 
1 1 1  -18    9    6 o  133.284   35.454   31.120   12.454   31.120   12.454   0.0000   0.0000  133.284   35.454  ?   ?  0.000000 35.45450 
1 1 1  -18    9    7 o  106.166   17.058   15.953   4.5322   11.660   11.042   16.823   4.9702   86.955   33.931  108.382   18.359 -21.42687 38.57975 
1 1 1  -18    9    8 o   62.971   21.852   5.5149   4.3552   11.110   10.416   4.3294   4.7944   85.125   33.028   59.519   22.581 25.60550 40.00913 
1 1 1  -18    9    9 o  124.288   19.678   22.388   6.1243   11.300   12.475   25.909   7.0297   86.595   35.293  132.835   21.139 -46.24046 41.13893 
1 1 1  -18    9   10 o  145.942   14.178   29.296   5.2922   29.315   7.2131   29.274   7.7887  141.950   20.186  140.337   22.162 1.612457 29.97669 
1 1 1  -18    9   11 o  142.064   14.797   27.961   5.3652   25.564   7.4967   30.477   7.6818  130.043   23.102  143.694   21.282 -13.65135 31.41023 
1 1 1  -18    9   12 o  119.898   17.310   20.512   5.2204   19.826   7.3375   21.216   7.4288  111.821   25.850  116.166   25.396 -4.345268 36.23773 
1 1 1  -18    9   13 o   89.353   23.087   12.394   5.3816   15.677   7.4210   8.7530   7.8159   97.246   27.965   76.055   28.836 21.19148 40.16945 
1 1 1  -18    9   14 o   82.923   26.721   11.187   6.5265   2.8820   12.375   14.387   7.6816   71.246   32.039   92.134   28.911 -20.88809 43.15522 
1 1 1  -18    9   15 o   52.157   22.107   1.7538   5.1761   0.5522   7.2734   2.9867   7.3676   56.242   24.975   61.147   26.159 -4.904533 36.16686 
1 1 1  -18    9   16 o   99.671   21.972   15.386   5.5201   19.586   7.8027   11.178   7.8104  107.621   27.795   81.240   29.168 26.38086 40.29095 
1 1 1  -18    9   17 o   51.169   22.617   0.4339   5.8970   11.140   8.9636  -7.7358   7.8302   80.334   30.780   46.153   22.213 34.18153 37.95804 
1 1 1  -18    9   18 o   95.715   27.100   15.776   7.0231   8.5935   8.6586   29.590   12.008   73.672   29.626  120.526   35.831 -46.85417 46.49216 
1 1 1  -18    9   19 o  170.879   15.620   41.741   6.8374   47.116   9.8747   36.791   9.4767  173.389   22.518  149.782   25.329 23.60677 33.89113 
1 1 1  -18    9   20 o  251.953   17.973   93.666   11.653   0.0000   0.0000   93.666   11.653  ?   ?   251.953   17.973 0.000000 17.97318 
1 1 1  -18    9   21 o  139.513   19.135   29.555   6.7330   26.978   9.4954   32.161   9.5486  119.708   30.527  134.648   28.277 -14.93935 41.61139 
1 1 1  -18    9   22 f  140.553   24.009   32.682   8.4272   35.583   10.003   25.590   15.641  140.786   28.410   95.825   39.339 44.96142 48.52501 
1 1 1  -18    9   23 o  119.650   23.603   23.881   7.0555   22.828   10.137   24.871   9.8261  102.642   33.325  109.623   32.370 -6.981659 46.45826 
1 1 1  -18    9   24 o   91.408   27.007   15.597   6.8383   16.961   9.5712   14.175   9.7736   87.748   32.175   80.884   31.817 6.863434 45.24979 
1 1 1  -18    9   25 o   63.111   26.015   6.3620   6.8752  -2.7875   9.6898   15.638   9.7565   53.557   25.486   82.989   32.031 -29.43143 40.93328 
1 1 1  -18    9   26 o   60.386   25.478   5.4970   6.8251   9.4702   9.4802   1.2217   9.8339   69.396   29.680   57.564   26.851 11.83207 40.02379 
1 1 1  -18    9   27 o   83.432   28.514   14.758   7.4041  -0.0052   10.543   29.124   10.400   56.347   26.747  111.508   33.391 -55.16073 42.78279 
1 1 1  -18    9   28 o   54.890   25.613   1.5797   8.9607   7.0350   11.989  -5.3250   13.488   63.771   29.714   54.876   27.003 8.894733 40.15039 
1 1 1  -18   10    1 o   36.161   15.312   0.3402   2.4794  -1.7790   10.032   0.4781   2.5588   62.193   28.317   37.160   15.635 25.03247 32.34629 
1 1 1  -18   10    2 o   76.927   18.947   8.6362   3.7506   0.0000   0.0000   8.6362   3.7506  ?   ?    76.927   18.947 0.000000 18.94705 
1 1 1  -18   10    3 o   64.665   21.677   5.9366   4.2785   0.0000   0.0000   5.9366   4.2785  ?   ?    64.665   21.677 0.000000 21.67717 
1 1 1  -18   10    4 o  129.810   15.248   23.347   5.0296   5.9470   10.802   28.163   5.6832   75.636   31.990  142.461   15.659 -66.82512 35.61693 
1 1 1  -18   10    5 o  176.934   19.914   44.999   8.9684   24.650   12.329   67.870   13.070  116.201   36.651  212.979   24.117 -96.77818 43.87401 
1 1 1  -18   10    6 f  127.320   14.597   22.384   4.7271   15.480   12.284   23.584   5.1214   94.777   36.099  130.231   15.485 -35.45461 39.28044 
1 1 1  -18   10    7 o   64.293   21.659   5.9027   4.2717   20.610   11.383   3.4918   4.6085  106.885   35.343   56.143   21.918 50.74157 41.58744 
1 1 1  -18   10    8 o   93.614   19.003   12.794   4.4507   23.320   12.202   11.178   4.7800  112.003   36.572   86.145   21.492 25.85815 42.41938 
1 1 1  -18   10    9 o  110.352   17.670   17.438   4.8803   19.580   12.039   17.017   5.3387  102.776   36.286  107.681   19.872 -4.905121 41.37129 
1 1 1  -18   10   10 o   94.650   20.246   13.321   4.8135  -4.1870   12.236   16.526   5.2356   63.639   29.773  105.982   19.800 -42.34301 35.75580 
1 1 1  -18   10   11 o   91.904   25.636   13.521   6.3335  -1.2580   13.102   18.027   7.2350   68.260   31.548  105.775   26.470 -37.51424 41.18160 
1 1 1  -18   10   12 f   92.628   21.727   13.103   5.1229   10.167   7.0740   16.341   7.4287   79.586   27.837   99.226   27.794 -19.63984 39.33698 
1 1 1  -18   10   13 f   63.679   25.103   5.1416   6.0962   13.819   7.1751 -17.3800   11.560   90.834   27.851   50.163   24.744 40.67085 37.25501 
1 1 1  -18   10   14 o   60.801   23.219   4.8879   5.0903   3.5413   7.2669   6.1851   7.1324   61.957   26.223   67.813   27.019 -5.855930 37.65228 
1 1 1  -18   10   15 o   40.917   19.937  -9.3953   6.8237  -9.3953   6.8237   0.0000   0.0000   40.917   19.937  ?   ?  0.000000 19.93665 
1 1 1  -18   10   16 o  103.906   22.245   16.888   5.8064   9.2110   8.4857   23.648   7.9623   75.500   29.663  119.409   26.440 -43.90863 39.73677 
1 1 1  -18   10   17 o   85.116   27.501   12.599   6.9095   11.600   9.2176   13.880   10.439   80.577   31.124   85.320   33.076 -4.742981 45.41733 
1 1 1  -18   10   18 o  114.390   21.042   20.282   6.0051   31.046   8.4375   9.2334   8.5485  138.341   24.440   74.342   29.593 63.99831 38.38002 
1 1 1  -18   10   19 o   89.157   25.397   13.621   6.1488   16.546   8.5224   10.445   8.8800   92.855   30.576   76.485   30.251 16.37043 43.01166 
1 1 1  -18   10   20 o   58.744   24.353   4.1792   6.0732   8.5383   8.4309  -0.5224   8.7558   71.431   29.052   56.144   25.893 15.28698 38.91566 
1 1 1  -18   10   21 f  118.536   23.250   23.090   6.8837   18.235   9.5998   28.228   9.8761   93.104   32.436  120.395   31.357 -27.29048 45.11471 
1 1 1  -18   10   22 o   74.520   31.741   10.649   10.762   29.500   16.400  -3.6100   14.263   98.708   40.374   61.595   29.729 37.11267 50.13886 
1 1 1  -18   10   23 o   62.514   25.409   6.0021   6.4441   0.3088   8.9649   12.089   9.2694   56.323   26.054   76.839   30.740 -20.51589 40.29553 
1 1 1  -18   10   24 o  101.120   26.526   18.865   7.0343   2.9433   9.7289   36.307   10.183   60.467   27.667  137.794   29.423 -77.32761 40.38801 
1 1 1  -18   10   25 o   45.888   21.727  -3.1194   6.8721   0.0257   9.9749  -5.9607   9.4812   56.535   26.587   49.562   23.998 6.972980 35.81551 
1 1 1  -18   10   26 o   99.088   27.140   19.146   7.1713   14.901   10.104   23.455   10.180   78.167   31.799   97.785   33.434 -19.61841 46.14104 
1 1 1  -18   10   27 o   65.577   28.621   8.5660   9.1753   10.560   13.105   6.6490   12.850   68.190   31.528   64.098   30.154 4.091621 43.62691 
1 1 1  -18   10   28 o   47.085   22.482  -2.4751   7.6750  -6.2290   11.842   0.2442   10.078   51.338   25.269   54.153   25.831 -2.815704 36.13561 
1 1 1  -18   11    1 o  210.475   10.790   59.246   5.8628   56.680   13.658   59.826   6.4912  189.028   28.805  210.762   11.939 -21.73431 31.18096 
1 1 1  -18   11    2 o  146.666   12.173   29.110   4.5827   12.990   12.240   31.738   4.9422   89.606   35.492  152.959   12.585 -63.35300 37.65734 
1 1 1  -18   11    3 f  179.300   11.123   43.141   5.1407   33.330   12.914   44.988   5.6038  136.136   36.051  182.652   11.909 -46.51588 37.96753 
1 1 1  -18   11    4 o   75.214   23.353   8.5713   5.0267   10.470   10.061   7.9397   5.8029   82.951   32.384   73.031   25.231 9.919815 41.05225 
1 1 1  -18   11    5 o   68.057   23.520   6.7154   5.0427   12.820   10.633   4.9442   5.7277   88.246   33.592   63.278   24.509 24.96720 41.58285 
1 1 1  -18   11    6 o   54.956   20.775   3.6449   4.0490  -6.7870   11.938   5.0009   4.3041   60.573   28.668   60.607   21.664 -0.3389359E-01 35.93332 
1 1 1  -18   11    7 o  150.605   16.288   31.838   6.2531   9.5020   12.577   39.172   7.2070   82.552   34.695  166.694   16.926 -84.14216 38.60310 
1 1 1  -18   11    8 o  116.483   16.931   19.304   4.9590   8.6160   12.573   21.273   5.3965   80.784   34.356  121.949   17.593 -41.16458 38.59811 
1 1 1  -18   11    9 o   45.110   19.631   0.2074   4.2889   20.470   12.026  -2.7453   4.5908  103.661   36.293   40.232   18.622 63.42921 40.79179 
1 1 1  -18   11   10 f  157.510   14.382   34.373   5.8032   48.640   14.031   31.429   6.3738  166.256   33.735  148.813   16.831 17.44337 37.70023 
1 1 1  -18   11   11 o  112.831   18.607   18.594   5.2485   23.310   12.738   17.629   5.7602  107.873   37.374  107.931   21.360 -0.5841827E-01 43.04742 
1 1 1  -18   11   12 f  198.059   15.540   55.048   7.9086   43.180   14.666   59.913   9.3909  148.532   37.974  204.109   17.944 -55.57690 41.99993 
1 1 1  -18   11   13 o  179.718   23.587   50.061   10.715   51.650   15.297   48.530   15.014  164.277   36.856  158.342   37.233 5.934357 52.38893 
1 1 1  -18   11   14 o  128.724   17.940   24.190   5.8191   19.295   8.1581   29.260   8.3026  105.135   29.010  135.587   24.544 -30.45245 37.99957 
1 1 1  -18   11   15 o   44.189   20.229  -1.7806   5.2098  -2.7211   7.4648  -0.8875   7.2745   50.882   23.620   53.041   24.135 -2.158516 33.77044 
1 1 1  -18   11   16 o  114.783   25.942   21.998   7.5319   23.400   10.048   20.200   11.379  110.000   32.794   98.251   35.214 11.74839 48.11945 
1 1 1  -18   11   17 o  101.102   23.902   16.757   6.1610   14.950   8.6553   18.613   8.7718   88.644   30.803   98.990   30.868 -10.34602 43.60794 
1 1 1  -18   11   18 o   64.186   25.047   6.1453   6.0164  -0.4887   8.3277   13.388   8.7014   55.509   25.471   83.595   30.674 -28.08601 39.87092 
1 1 1  -18   11   19 o  114.127   23.525   21.399   6.7235   21.914   9.5448   20.892   9.4725  104.324   32.145  101.636   32.134 2.688042 45.45183 
1 1 1  -18   11   20 o  113.619   24.237   21.691   6.9155   20.411   9.9099   22.906   9.6550   97.869   32.990  105.667   32.292 -7.798714 46.16375 
1 1 1  -18   11   21 o  141.679   20.527   31.608   7.3136   26.304   10.525   36.561   10.170  110.422   33.710  141.179   28.786 -30.75720 44.32817 
1 1 1  -18   11   22 o   97.304   34.460   22.260   10.866   15.520   16.593   27.320   14.377   78.948   36.126   97.902   38.564 -18.95424 52.84233 
1 1 1  -18   11   23 o   69.484   26.912   8.8595   6.9058   4.6808   9.4964   13.549   10.061   62.611   28.119   78.211   31.764 -15.59996 42.42209 
1 1 1  -18   11   24 o   54.586   24.294   2.4748   6.9191 -17.1203   9.9184   21.051   9.6571   42.628   21.334   95.489   32.564 -52.86104 38.93036 
1 1 1  -18   11   25 o   68.355   26.682   9.0170   6.8291   9.2031   9.5732   8.8241   9.7446   68.067   29.474   67.437   29.462 0.6309357 41.67467 
1 1 1  -18   11   26 o   52.650   24.061   1.6125   7.3283   10.410   11.354  -4.6695   9.5945   68.418   30.735   49.769   24.109 18.64866 39.06235 
1 1 1  -18   11   27 o   62.190   27.473   7.2454   8.6906   13.810   11.562  -1.2790   13.176   71.329   31.591   56.571   27.595 14.75775 41.94609 
1 1 1  -18   12    1 o  111.142   14.333   17.137   4.0302   11.200   11.130   18.032   4.3236   84.635   33.743  113.673   15.054 -29.03830 36.94839 
1 1 1  -18   12    2 o  100.859   15.893   14.368   4.0146   6.1620   11.484   15.510   4.2850   75.846   32.558  104.627   16.346 -28.78024 36.43102 
1 1 1  -18   12    3 o   45.140   19.914  -0.3193   4.5506 -19.9100   11.121   3.6208   4.9872   47.850   23.724   57.342   22.673 -9.491482 32.81620 
1 1 1  -18   12    4 o  120.468   18.909   21.047   5.7062   15.990   12.035   22.514   6.4810   94.234   35.770  123.150   21.075 -28.91621 41.51650 
1 1 1  -18   12    5 o  132.780   14.200   24.389   4.8083   12.540   11.730   26.782   5.2715   86.977   34.651  138.767   14.899 -51.78993 37.71855 
1 1 1  -18   12    6 o   72.430   21.499   7.9420   4.3255   15.960   12.356   6.8221   4.6178   93.523   36.060   67.747   22.516 25.77632 42.51287 
1 1 1  -18   12    7 o   52.118   20.530   2.9018   4.0746   2.8860   11.728   2.9040   4.3453   70.527   31.491   52.979   21.095 17.54770 37.90347 
1 1 1  -18   12    8 o  108.979   17.966   17.216   4.8948  -5.7310   12.344   21.497   5.3319   61.628   29.163  122.449   17.292 -60.82068 33.90376 
1 1 1  -18   12    9 o   55.133   21.619   3.4912   4.4991  -8.3940   12.429   5.2834   4.8264   59.169   28.349   61.879   22.824 -2.709209 36.39452 
1 1 1  -18   12   10 o   87.395   22.315   11.892   5.0692   7.0370   13.457   12.695   5.4722   77.492   34.213   89.697   23.331 -12.20533 41.41103 
1 1 1  -18   12   11 o  107.034   20.242   17.237   5.4065   0.3273   13.980   20.211   5.8627   69.777   32.368  116.105   20.229 -46.32737 38.16956 
1 1 1  -18   12   12 o   48.998   22.397  -1.6845   6.3540   13.470   13.858  -5.7187   7.1499   85.768   36.252   46.153   21.942 39.61586 42.37511 
1 1 1  -18   12   13 o   50.089   22.659  -0.8211   6.2969 -16.0500   13.729   3.2360   7.0862   55.281   27.210   60.180   25.697 -4.899040 37.42639 
1 1 1  -18   12   14 f   71.587   28.027   8.0378   7.5527   0.0000   0.0000   8.0378   7.5527  ?   ?    71.587   28.027 0.000000 28.02722 
1 1 1  -18   12   15 o   78.953   27.846   10.868   7.0878   24.720   10.097  -2.5870   9.9517  113.050   32.652   57.270   26.811 55.78056 42.24962 
1 1 1  -18   12   16 o   80.280   25.224   10.975   5.8451   8.2298   8.2805   13.700   8.2520   71.494   28.894   85.389   30.053 -13.89532 41.68962 
1 1 1  -18   12   17 o   66.990   28.193   6.3557   8.3235   0.0000   0.0000   6.3557   8.3235  ?   ?    66.990   28.193 0.000000 28.19308 
1 1 1  -18   12   18 o  178.736   15.330   46.021   7.0290   43.448   9.8493   48.691   10.034  162.446   24.141  173.911   22.826 -11.46451 33.22372 
1 1 1  -18   12   19 o  130.356   20.263   26.559   6.6199   33.713   9.6051   20.086   9.1364  137.090   27.995   99.064   31.584 38.02681 42.20518 
1 1 1  -18   12   20 o   84.383   25.955   12.919   6.2259   17.275   9.0260   8.9655   8.5989   90.525   31.456   70.773   29.125 19.75253 42.86869 
1 1 1  -18   12   21 f   55.432   24.823   1.9879   7.3449  -4.6893   8.6372   19.430   13.960   49.562   23.715   85.196   36.216 -35.63467 43.28967 
1 1 1  -18   12   22 o   63.557   27.031   6.2690   7.7837 -14.7800   16.345   12.443   8.8520   56.195   28.009   76.842   30.263 -20.64719 41.23505 
1 1 1  -18   12   23 o   54.649   24.142   2.7491   6.7106  -9.9995   9.4936   15.479   9.4868   46.221   22.727   81.863   31.588 -35.64212 38.91429 
1 1 1  -18   12   24 o   93.489   27.994   17.664   7.3102   18.360   10.719   17.059   9.9949   84.199   33.257   83.020   32.314 1.179832 46.37084 
1 1 1  -18   12   25 o   42.318   20.524  -5.8823   7.0068  -2.5950   10.898  -8.1987   9.1484   53.856   25.992   45.856   22.499 7.999954 34.37743 
1 1 1  -18   12   26 o  117.198   31.008   30.608   9.5592   26.760   13.157   34.910   13.912   88.967   36.250  101.022   38.432 -12.05511 52.83061 
1 1 1  -18   12   27 o  101.610   29.734   23.561   8.3243   36.470   13.365   15.378   10.640  103.170   37.991   72.979   31.334 30.19014 49.24569 
1 1 1  -18   13    1 o  106.894   14.408   15.944   3.8877   18.610   11.845   15.622   4.1157   99.196   35.881  105.178   15.578 -5.981987 39.11652 
1 1 1  -18   13    2 o   51.983   21.281   2.3533   4.5612   9.0980   11.803   1.1693   4.9454   80.119   33.638   50.161   21.444 29.95767 39.89231 
1 1 1  -18   13    3 o   40.856   18.477  -1.3602   4.1839  -2.7310   10.638  -1.1094   4.5507   60.936   28.256   43.179   19.422 17.75740 34.28702 
1 1 1  -18   13    4 o  148.481   12.880   30.203   4.9047   23.250   12.834   31.392   5.3076  107.925   37.509  150.841   13.735 -42.91566 39.94446 
1 1 1  -18   13    5 f  153.960   16.266   33.513   6.3886   35.030   12.492   32.975   7.4344  137.906   34.931  149.981   19.606 -12.07524 40.05689 
1 1 1  -18   13    6 o  161.304   13.106   35.737   5.4288   15.720   13.775   39.418   5.9068   91.336   37.140  169.086   13.601 -77.75031 39.55202 
1 1 1  -18   13    7 o  111.026   16.984   17.742   4.7292   34.260   13.154   15.290   5.0681  132.475   36.942  100.971   20.084 31.50410 42.04836 
1 1 1  -18   13    8 o   48.566   20.510   1.4413   4.4293   7.0740   12.708   0.6625   4.7257   76.424   33.511   47.710   20.684 28.71411 39.37996 
1 1 1  -18   13    9 o  102.561   19.102   15.650   4.8880   20.490   13.158   14.875   5.2647   99.052   37.449   98.435   21.269 0.6171799 43.06723 
1 1 1  -18   13   10 o   89.023   22.210   12.452   5.1048   19.040   13.395   11.333   5.5215   95.241   37.315   83.644   24.142 11.59647 44.44403 
1 1 1  -18   13   11 o   54.917   22.238   3.2711   4.9156   18.690   13.319   0.8397   5.2889   93.855   37.071   49.855   21.745 43.99972 42.97839 
1 1 1  -18   13   12 o   86.652   31.571   14.047   9.1944   9.5190   13.966   17.510   12.215   78.605   34.771   91.717   35.717 -13.11280 49.84681 
1 1 1  -18   13   13 o   57.758   23.978   3.5936   5.8991   0.0000   0.0000   3.5936   5.8991  ?   ?    57.758   23.978 0.000000 23.97793 
1 1 1  -18   13   14 o   82.967   26.707   12.027   6.5206 -11.5600   14.943   17.574   7.2470   59.302   29.025  100.121   27.225 -40.81865 39.79554 
1 1 1  -18   13   15 o  136.249   23.272   29.911   7.9183 -13.7200   15.802   44.540   9.1501   58.950   29.050  169.066   21.371 -110.1150 36.06447 
1 1 1  -18   13   16 o  155.432   16.262   35.223   6.4505   34.332   9.0345   36.150   9.2128  143.028   25.312  147.132   25.072 -4.103729 35.62703 
1 1 1  -18   13   17 o   74.019   24.909   9.4774   5.6498   5.6039   7.9389   13.452   8.0421   64.231   27.307   83.187   29.626 -18.95607 40.29166 
1 1 1  -18   13   18 o  152.053   17.965   34.887   6.9392   40.250   10.031   29.967   9.6092  151.999   26.439  125.694   29.941 26.30473 39.94324 
1 1 1  -18   13   19 o  161.199   25.527   44.888   10.304   0.0000   0.0000   44.888   10.304  ?   ?   161.199   25.527 0.000000 25.52667 
1 1 1  -18   13   20 o   74.117   26.792   10.308   6.6029   16.025   9.7269   5.4220   8.9921   84.471   32.135   63.496   28.003 20.97509 42.62455 
1 1 1  -18   13   21 o   61.219   28.315   2.9689   10.584 -18.1700   16.627   17.370   13.724   54.817   27.461   80.631   35.102 -25.81433 44.56791 
1 1 1  -18   13   22 o   45.979   21.456  -1.7064   6.2884   0.6536   9.0336  -3.9250   8.7589   55.520   25.844   49.736   23.821 5.784138 35.14722 
1 1 1  -18   13   23 o   71.772   27.359   10.434   7.0591   17.377   10.258   4.1892   9.7291   82.851   32.594   60.334   27.629 22.51626 42.72860 
1 1 1  -18   13   24 o   67.968   27.662   9.5292   7.6498   9.0530   13.025   9.7799   9.4516   66.684   31.038   67.715   29.304 -1.031288 42.68580 
1 1 1  -18   13   25 o   47.616   22.872  -3.2078   8.2074 -10.8000   11.284   5.3190   11.959   47.713   23.697   61.179   28.874 -13.46535 37.35347 
1 1 1  -18   13   26 o   46.314   22.092  -2.1195   7.3728 -13.0200   11.692   5.0769   9.4997   46.408   23.216   58.208   26.888 -11.80030 35.52417 
1 1 1  -18   14    1 o  184.445   14.004   47.103   6.6405   45.370   13.920   47.613   7.5557  156.822   35.138  183.626   16.046 -26.80402 38.62873 
1 1 1  -18   14    2 o  221.320   12.843   67.072   7.3313   41.500   13.961   76.810   8.6147  147.035   36.755  235.498   14.188 -88.46352 39.39878 
1 1 1  -18   14    3 o   49.091   19.604   2.4132   3.7625   6.5990   11.740   1.9340   3.9721   74.708   32.495   48.287   19.824 26.42060 38.06428 
1 1 1  -18   14    4 o  136.770   13.780   25.980   4.8155   3.4940   11.343   30.924   5.3186   69.464   30.996  149.209   13.922 -79.74487 33.97894 
1 1 1  -18   14    5 o  101.116   18.104   15.023   4.5678   9.2410   12.443   15.923   4.9106   79.053   33.911  103.565   19.006 -24.51258 38.87408 
1 1 1  -18   14    6 o  101.001   18.605   15.111   4.6881   12.830   12.862   15.460   5.0345   84.720   35.308  101.303   19.896 -16.58354 40.52752 
1 1 1  -18   14    7 o   94.786   20.419   13.714   4.8654   8.0740   12.387   14.742   5.2906   76.595   33.347   97.581   21.510 -20.98663 39.68242 
1 1 1  -18   14    8 o   90.974   20.797   12.769   4.7940   4.0380   12.440   14.292   5.1952   70.759   31.943   95.920   21.448 -25.16132 38.47536 
1 1 1  -18   14    9 o  106.213   19.359   16.976   5.1298   10.400   13.724   18.044   5.5307   79.919   34.939  108.782   20.377 -28.86351 40.44667 
1 1 1  -18   14   10 o   44.341   19.949  -0.7470   4.8042   7.0160   12.784  -2.0235   5.1842   74.131   33.005   43.491   20.008 30.64007 38.59638 
1 1 1  -18   14   11 o   61.834   25.558   4.6799   6.6600 -14.5600   12.720   11.947   7.8172   53.299   26.226   81.489   29.189 -28.19006 39.24052 
1 1 1  -18   14   12 o   67.989   28.858   6.2750   8.8408   0.0000   0.0000   6.2750   8.8408  ?   ?    67.989   28.858 0.000000 28.85823 
1 1 1  -18   14   13 o  107.266   24.563   19.197   6.6778   12.650   14.988   20.818   7.4591   80.416   35.774  109.680   26.542 -29.26398 44.54498 
1 1 1  -18   14   14 o   57.843   23.864   4.0511   5.7911   23.880   14.952   0.5515   6.2814   95.615   38.761   51.417   22.996 44.19741 45.06938 
1 1 1  -18   14   15 o  143.219   17.562   30.604   6.3785   37.280   15.783   29.301   6.9734  116.600   41.506  137.333   20.207 -20.73324 46.16344 
1 1 1  -18   14   16 o   41.107   19.496  -4.0230   5.5777  -9.7770   15.476  -3.1641   5.9795   59.299   29.129   43.856   20.612 15.44247 35.68355 
1 1 1  -18   14   17 o  136.255   24.416   31.448   8.3010   44.590   16.391   26.915   9.6268  124.895   42.426  115.814   31.331 9.080727 52.74120 
1 1 1  -18   14   18 o   61.730   24.595   5.9536   5.9102  -3.0396   8.3325   15.059   8.3843   50.588   23.945   85.013   30.253 -34.42461 38.58238 
1 1 1  -18   14   19 o   89.772   26.226   15.014   6.4806   8.1046   9.4467   21.157   8.9070   68.000   29.362  100.011   31.091 -32.01109 42.76460 
1 1 1  -18   14   20 o   39.670   19.295  -6.9223   6.3146  -2.7167   9.0476 -10.9165   8.8172   51.874   24.668   43.866   21.633 8.008190 32.81005 
1 1 1  -18   14   21 o   54.375   24.912   1.4331   7.9228 -14.4800   16.476   6.2196   9.0361   55.337   27.664   63.223   27.968 -7.886333 39.33859 
1 1 1  -18   14   22 o   55.436   24.333   3.5985   6.7166  -6.0355   10.151   11.100   8.9576   50.047   24.370   71.219   29.555 -21.17179 38.30701 
1 1 1  -18   14   23 o   68.034   27.697   9.6810   7.6721   4.2960   12.575   12.874   9.6831   61.497   29.197   72.833   30.518 -11.33687 42.23491 
1 1 1  -18   14   24 o   70.546   28.981   11.714   8.4956   5.1320   11.639   19.220   12.429   60.585   28.561   77.884   33.655 -17.29864 44.14049 
1 1 1  -18   14   25 o   99.305   29.341   22.398   8.0712   31.980   12.939   16.295   10.326   95.862   36.919   74.899   31.456 20.96265 48.50236 
1 1 1  -18   15    1 o  106.536   20.586   17.286   5.4753   21.270   12.175   16.276   6.1302  101.026   36.402  100.699   23.866 0.3274689 43.52802 
1 1 1  -18   15    2 o  154.223   12.812   32.816   5.0719   22.080   13.446   34.597   5.4764  100.592   37.897  157.830   13.526 -57.23784 40.23893 
1 1 1  -18   15    3 o  169.754   12.141   39.498   5.3032   25.090   12.507   42.656   5.8557  108.783   37.059  175.780   12.952 -66.99640 39.25677 
1 1 1  -18   15    4 f  199.180   14.223   55.442   7.2899   46.790   14.695   58.266   8.3959  152.585   37.456  202.080   16.175 -49.49557 40.79958 
1 1 1  -18   15    5 o   80.992   20.950   10.238   4.4282   10.690   12.963   10.178   4.7116   79.948   34.459   80.110   22.023 -0.1615448 40.89487 
1 1 1  -18   15    6 o   82.141   21.361   10.619   4.5877 -15.8400   11.634   15.491   4.9922   50.233   24.787  100.908   19.806 -50.67498 31.72853 
1 1 1  -18   15    7 o   68.759   23.054   7.4911   4.8392  -4.2900   12.036   9.7625   5.2851   60.097   28.542   77.151   23.944 -17.05409 37.25523 
1 1 1  -18   15    8 o  154.208   14.713   33.687   5.8057   35.830   13.784   33.225   6.4012  127.412   38.507  151.429   16.591 -24.01671 41.92873 
1 1 1  -18   15    9 o  128.658   17.685   24.457   5.7379   41.210   14.528   21.361   6.2457  135.956   39.137  116.911   21.413 19.04427 44.61193 
1 1 1  -18   15   10 o  102.091   29.809   19.464   8.3744   0.0000   0.0000   19.464   8.3744  ?   ?   102.091   29.809 0.000000 29.80868 
1 1 1  -18   15   11 f   55.764   24.887   1.3614   7.3150  -1.9080   13.678   2.6710   8.6570   63.730   30.313   60.791   27.106 2.938457 40.66491 
1 1 1  -18   15   12 o   75.441   25.227   9.8345   5.7942   15.350   14.660   8.8134   6.3079   82.728   36.140   71.681   26.145 11.04630 44.60545 
1 1 1  -18   15   13 o   89.691   24.637   13.876   5.8994   32.260   15.773   10.886   6.3611  106.692   40.841   77.893   26.430 28.79909 48.64723 
1 1 1  -18   15   14 o   62.711   24.883   6.0123   6.0263   7.7390   14.559   5.6553   6.6200   72.113   33.303   62.406   25.603 9.707626 42.00737 
1 1 1  -18   15   15 o  118.227   22.770   23.091   6.7200   5.1670   15.972   26.947   7.4076   69.790   33.068  127.245   23.334 -57.45539 40.47163 
1 1 1  -18   15   16 o   95.622   25.721   16.498   6.5098   1.0990   15.126   19.998   7.2119   65.147   31.229  104.793   26.540 -39.64613 40.98290 
1 1 1  -18   15   17 o   54.919   23.768   3.0959   6.2179  -7.3510   16.299   4.8752   6.7266   60.119   29.602   59.609   25.230 0.5091629 38.89499 
1 1 1  -18   15   18 f   90.821   29.824   17.308   8.1103   12.350   16.068   19.003   9.3949   73.586   34.324   91.336   32.072 -17.74986 46.97646 
1 1 1  -18   15   19 o   68.328   27.789   8.9467   7.7138  -0.6141   15.755   11.961   8.8466   62.380   30.372   74.423   29.940 -12.04292 42.64809 
1 1 1  -18   15   20 o   57.601   27.346   0.4232   11.028  -4.3940   16.475   4.3340   14.844   59.937   29.561   64.454   30.907 -4.517067 42.76749 
1 1 1  -18   15   21 o  123.065   23.631   26.788   7.2591   31.802   10.651   22.438   9.9200  116.043   33.541   94.629   32.972 21.41376 47.03321 
1 1 1  -18   15   22 o  153.879   21.834   40.610   8.4586   52.740   14.529   34.391   10.404  137.796   38.966  122.916   32.266 14.87943 50.59119 
1 1 1  -18   15   23 o   93.336   30.409   20.693   8.4377   25.570   13.898   17.846   10.619   83.452   35.820   78.534   32.347 4.917801 48.26395 
1 1 1  -18   15   24 o   81.632   30.380   17.408   8.5895   13.650   12.005   21.350   12.295   68.226   31.030   78.556   33.704 -10.33022 45.81285 
1 1 1  -18   16    1 o  151.217   13.398   31.920   5.1935   5.5400   12.185   37.776   5.7410   71.147   31.909  164.400   13.604 -93.25359 34.68770 
1 1 1  -18   16    2 o  108.258   17.137   17.221   4.6456   26.300   13.213   15.940   4.9625  107.233   37.998  102.416   19.417 4.816994 42.67150 
1 1 1  -18   16    3 o   57.154   21.110   4.6078   4.1318  -1.9890   12.496   5.4176   4.3780   62.804   29.603   60.502   21.825 2.302391 36.77866 
1 1 1  -18   16    4 o   42.110   18.630  -0.1161   4.0105   1.7800   11.951  -0.3567   4.2574   65.798   30.311   42.647   19.013 23.15078 35.78014 
1 1 1  -18   16    5 o   33.842   16.193  -4.3672   4.0250  -9.1150   10.973  -3.6291   4.3265   52.973   25.689   36.584   17.298 16.38874 30.97018 
1 1 1  -18   16    6 o  104.099   19.157   16.500   4.9752   21.520   12.335   15.524   5.4371   97.332   36.370   98.694   21.845 -1.361938 42.42652 
1 1 1  -18   16    7 o  118.035   18.240   20.892   5.3972  -1.0560   13.510   25.061   5.8874   64.440   30.498  129.614   18.023 -65.17482 35.42527 
1 1 1  -18   16    8 o  229.068   17.914   77.836   10.545   0.0000   0.0000   77.836   10.545  ?   ?   229.068   17.914 0.000000 17.91360 
1 1 1  -18   16    9 o   91.973   27.001   15.226   6.8546   0.0000   0.0000   15.226   6.8546  ?   ?    91.973   27.001 0.000000 27.00142 
1 1 1  -18   16   10 o   92.463   33.264   18.477   10.163   4.0480   13.690   36.190   15.168   68.449   31.846  116.690   40.764 -48.24102 51.72921 
1 1 1  -18   16   11 o   77.438   25.016   10.530   5.7172 -14.0500   13.821   15.605   6.2797   54.178   26.787   94.494   25.195 -40.31629 36.77374 
1 1 1  -18   16   12 o   57.917   23.458   4.5770   5.4709   3.0080   14.658   4.8310   5.8970   67.288   31.822   59.237   24.218 8.050865 39.98931 
1 1 1  -18   16   13 o   72.025   25.911   9.3288   6.1661   5.3020   15.178   10.125   6.7481   69.115   32.593   73.939   27.030 -4.823402 42.34290 
1 1 1  -18   16   14 o   84.458   26.055   13.188   6.2688   26.740   15.416   10.503   6.8617   93.635   38.808   74.489   27.253 19.14565 47.42125 
1 1 1  -18   16   15 o   66.133   25.710   7.6389   6.3211   9.1500   15.329   7.3293   6.9385   71.253   33.332   65.430   26.447 5.823174 42.54948 
1 1 1  -18   16   16 o   38.450   18.688  -6.6468   5.8950  -5.7860   14.945  -6.8054   6.4152   58.841   28.847   40.180   19.521 18.66102 34.83161 
1 1 1  -18   16   17 o   94.202   26.596   16.951   6.7739   31.300   16.934   14.217   7.3911   92.728   39.663   82.917   28.485 9.810410 48.83166 
1 1 1  -18   16   18 o   76.901   27.003   11.888   6.6600   10.260   15.855   12.236   7.3388   69.757   33.022   76.518   28.156 -6.760811 43.39569 
1 1 1  -18   16   19 o   74.840   27.051   11.494   6.7306   2.7840   16.756   13.169   7.3495   63.662   31.068   78.389   28.277 -14.72734 42.00989 
1 1 1  -18   16   20 o   54.303   24.947   2.1279   8.0199 -17.7600   16.523   8.2576   9.1729   52.464   26.428   64.790   28.438 -12.32601 38.82221 
1 1 1  -18   16   21 o   39.424   19.397  -8.2502   6.9514  -5.1010   10.646 -10.5911   9.1783   50.446   24.650   43.516   21.571 6.929428 32.75550 
1 1 1  -18   16   22 o   62.965   26.819   8.2317   7.6837   10.460   12.651   6.9291   9.6721   65.204   30.429   60.900   27.757 4.303936 41.18709 
1 1 1  -18   16   23 o   54.891   25.646   3.4036   9.0284   5.3740   12.585   1.3140   12.960   59.034   28.347   56.092   27.362 2.941849 39.39897 
1 1 1  -18   17    1 o   71.414   21.798   8.2582   4.4013   16.460   12.428   7.0821   4.7064   86.218   35.193   66.393   22.733 19.82539 41.89627 
1 1 1  -18   17    2 o   64.130   22.111   6.4998   4.4556  -6.6170   11.611   8.7647   4.8250   55.902   26.941   72.856   22.922 -16.95481 35.37291 
1 1 1  -18   17    3 o   46.837   20.136   1.2548   4.4039   11.320   12.047  -0.2976   4.7314   77.377   33.285   44.437   19.910 32.94049 38.78534 
1 1 1  -18   17    4 f   28.343   14.083  -8.5425   4.0016 -13.4800   11.494  -7.8614   4.2686   50.279   24.777   30.462   15.028 19.81749 28.97811 
1 1 1  -18   17    5 o   74.351   23.991   9.3820   5.2596   0.0000   0.0000   9.3820   5.2596  ?   ?    74.351   23.991 0.000000 23.99139 
1 1 1  -18   17    6 o   52.165   22.676   1.8691   5.7098   0.0000   0.0000   1.8691   5.7098  ?   ?    52.165   22.676 0.000000 22.67557 
1 1 1  -18   17    7 o  153.743   17.239   35.173   6.7470   10.730   15.124   41.246   7.5388   75.894   34.637  165.844   17.829 -89.94987 38.95660 
1 1 1  -18   17    8 o   71.783   24.319   8.8778   5.3857   24.030   14.124   6.3000   5.8258   94.580   37.907   63.328   24.665 31.25193 45.22515 
1 1 1  -18   17    9 o   65.902   26.609   7.0664   7.0159   5.4890   13.988   7.5966   8.1098   68.939   32.113   67.721   28.114 1.218300 42.68080 
1 1 1  -18   17   10 o   39.288   18.674  -3.9846   5.1715  -6.1670   13.085  -3.5806   5.6299   57.373   27.876   41.696   19.720 15.67698 34.14600 
1 1 1  -18   17   11 o   69.592   25.144   8.5854   5.8142  -1.8160   14.119   10.709   6.3804   61.724   29.737   75.831   26.442 -14.10670 39.79291 
1 1 1  -18   17   12 o   52.564   24.094   0.3033   7.4240  -1.2190   14.877   0.8081   8.5670   62.549   30.231   55.682   25.655 6.866611 39.65024 
1 1 1  -18   17   13 o  182.198   18.032   50.967   8.3985   26.340   16.002   60.330   9.8667   89.901   38.508  195.301   19.776 -105.4007 43.28911 
1 1 1  -18   17   14 o   99.260   25.429   18.008   6.5674   36.970   16.913   14.641   7.1265  101.918   41.257   85.387   27.953 16.53088 49.83487 
1 1 1  -18   17   15 o   43.986   20.630  -2.2395   5.9385  -9.2370   14.824  -0.9019   6.4812   55.947   27.676   47.624   22.073 8.322903 35.40015 
1 1 1  -18   17   16 o   44.957   20.932  -1.4450   5.9324   23.910   16.134  -5.4090   6.3793   83.042   37.017   41.166   19.872 41.87603 42.01427 
1 1 1  -18   17   17 f   81.022   27.644   13.698   6.9595   3.2520   16.153   16.079   7.7120   63.592   30.915   85.866   29.102 -22.27415 42.45744 
1 1 1  -18   17   18 o   58.830   24.891   5.6248   6.5441   8.5590   16.764   5.0973   7.1081   66.446   32.109   58.179   25.295 8.267265 40.87610 
1 1 1  -18   17   19 o   68.636   28.575   10.605   8.4115  -1.2700   16.740   14.616   9.7288   59.491   29.426   75.062   30.945 -15.57016 42.70205 
1 1 1  -18   17   20 o   58.609   26.756   5.2804   9.0333   0.0000   0.0000   5.2804   9.0333  ?   ?    58.609   26.756 0.000000 26.75647 
1 1 1  -18   17   21 o   53.659   24.849   2.8360   8.1884   0.0000   0.0000   2.8360   8.1884  ?   ?    53.659   24.849 0.000000 24.84918 
1 1 1  -18   17   22 o   52.804   25.703  -0.3950   11.263   0.0000   0.0000  -0.3950   11.263  ?   ?    52.804   25.703 0.000000 25.70314 
1 1 1  -18   18    1 o   82.543   21.358   11.147   4.6014   20.770   13.808   9.9449   4.8803   89.413   36.864   76.717   22.851 12.69675 43.37174 
1 1 1  -18   18    2 o   75.035   23.673   9.6763   5.1431   0.0000   0.0000   9.6763   5.1431  ?   ?    75.035   23.673 0.000000 23.67310 
1 1 1  -18   18    3 o   62.958   24.473   6.2558   5.7266   0.0000   0.0000   6.2558   5.7266  ?   ?    62.958   24.473 0.000000 24.47252 
1 1 1  -18   18    4 o   58.921   23.328   5.0600   5.2859   9.2410   13.444   4.2955   5.7489   72.608   32.951   57.500   23.754 15.10832 40.62073 
1 1 1  -18   18    5 o  102.850   22.872   17.690   5.9357   35.370   13.882   13.735   6.5662  116.688   39.047   86.025   26.687 30.66323 47.29580 
1 1 1  -18   18    6 o   46.149   20.640   0.2541   5.0606   3.0830   13.334  -0.2220   5.4699   65.377   30.743   46.582   21.091 18.79549 37.28248 
1 1 1  -18   18    7 o  138.067   16.802   28.558   5.8851   24.570   14.787   29.309   6.4151   91.609   37.991  138.123   18.387 -46.51402 42.20703 
1 1 1  -18   18    8 o   58.924   27.268   1.5634   9.8339   8.4330   14.897  -3.7420   13.092   70.823   33.040   58.593   28.329 12.23011 43.52243 
1 1 1  -18   18    9 o   63.697   24.353   6.8427   5.6038   4.4250   14.250   7.2850   6.0948   66.298   31.361   65.064   25.259 1.234344 40.26809 
1 1 1  -18   18   10 o  110.425   20.895   19.896   5.7578   3.9270   14.273   23.000   6.2925   65.438   31.079  118.438   21.294 -52.99957 37.67398 
1 1 1  -18   18   11 o   63.232   24.169   6.8546   5.5183 -28.2000   14.505   12.787   5.9670   47.073   23.836   82.721   25.404 -35.64807 34.83577 
1 1 1  -18   18   12 o   72.443   25.607   9.9615   5.9971   5.1380   15.517   10.808   6.5023   66.157   31.691   74.289   26.620 -8.132507 41.38767 
1 1 1  -18   18   13 o   49.802   22.397   1.1895   6.0482  -9.7620   14.599   3.4588   6.6453   55.010   27.257   55.361   24.255 -0.3503532 36.48621 
1 1 1  -18   18   14 o   46.242   21.457  -0.9360   6.1497 -17.8600   15.335   2.3075   6.7132   51.671   25.953   53.014   23.737 -1.342407 35.17113 
1 1 1  -18   18   15 o   76.544   26.359   11.835   6.3312  -4.4090   15.885   14.903   6.9032   58.434   28.858   84.783   27.499 -26.34922 39.86180 
1 1 1  -18   18   16 o   47.780   21.880   0.4111   6.1015  -1.1170   16.042   0.6695   6.5973   59.770   29.418   49.370   22.661 10.39914 37.13400 
1 1 1  -18   18   17 o   55.563   24.394   4.2638   6.7531  -0.4056   16.347   5.2247   7.4154   59.591   29.400   58.007   25.512 1.583508 38.92648 
1 1 1  -18   18   18 o   49.797   23.488  -0.3084   7.8898  -4.9570   16.517   1.0658   8.9806   56.534   28.174   53.179   25.075 3.354733 37.71690 
1 1 1  -18   18   19 o   93.401   33.515   25.094   10.310   0.0000   0.0000   25.094   10.310  ?   ?    93.401   33.515 0.000000 33.51509 
1 1 1  -18   18   20 o   86.496   31.894   21.318   9.4238   0.0000   0.0000   21.318   9.4238  ?   ?    86.496   31.894 0.000000 31.89414 
1 1 1  -18   18   21 o   76.526   29.430   16.029   8.2132   0.0000   0.0000   16.029   8.2132  ?   ?    76.526   29.430 0.000000 29.42953 
1 1 1  -18   19    1 o  156.047   16.421   36.338   6.5381   14.340   14.844   41.632   7.2825   76.821   34.767  166.090   17.175 -89.26990 38.77788 
1 1 1  -18   19    2 f  151.898   15.372   33.916   5.9649   19.210   14.881   36.732   6.5109   82.603   36.240  157.061   16.238 -74.45858 39.71144 
1 1 1  -18   19    3 o   61.114   23.038   6.0853   4.9703   26.470   13.667   2.9782   5.3357   95.898   37.656   52.702   22.396 43.19601 43.81253 
1 1 1  -18   19    4 o   82.680   23.271   11.968   5.1946 -10.9400   13.323   16.075   5.6411   53.581   26.455   96.993   22.832 -43.41254 34.94525 
1 1 1  -18   19    5 o   50.594   21.768   2.3512   5.1540 -13.6900   12.065   5.9317   5.7003   49.538   24.586   60.822   24.180 -11.28375 34.48378 
1 1 1  -18   19    6 o   55.420   24.365   3.0740   6.7578  -1.3300   12.734   4.8005   7.9731   59.183   28.444   60.398   26.512 -1.215462 38.88397 
1 1 1  -18   19    7 o  142.155   20.416   32.656   7.3018   24.800   14.622   35.266   8.4279   88.808   37.371  143.434   23.498 -54.62530 44.14466 
1 1 1  -18   19    8 o   72.164   24.794   9.6764   5.6001   31.610   15.227   6.2456   6.0221   97.378   39.242   61.353   24.695 36.02595 46.36561 
1 1 1  -18   19    9 o  107.564   22.705   19.908   6.1274   29.660   16.066   18.248   6.6284   91.208   38.813   98.948   25.649 -7.739532 46.52271 
1 1 1  -18   19   10 o   97.918   23.682   17.101   5.9408   22.940   14.566   15.935   6.5066   84.034   36.373   90.876   26.201 -6.841797 44.82719 
1 1 1  -18   19   11 o   60.915   24.434   6.3765   5.8737  -9.4660   14.398   9.5393   6.4333   54.389   26.971   69.592   26.215 -15.20298 37.61161 
1 1 1  -18   19   12 o   74.726   26.046   11.181   6.1903   29.780   16.521   8.1426   6.6768   87.313   38.248   65.198   26.087 22.11497 46.29758 
1 1 1  -18   19   13 o   59.136   24.474   5.8955   6.1187   19.830   15.673   3.3900   6.6461   76.196   34.956   54.263   23.996 21.93295 42.40002 
1 1 1  -18   19   14 o   77.089   26.477   12.369   6.3856   18.080   16.285   11.331   6.9416   73.003   34.215   72.534   27.248 0.4686432 43.73980 
1 1 1  -18   19   15 o   65.115   25.566   8.5437   6.2995   31.170   16.285   4.5620   6.8314   85.434   37.682   55.968   24.554 29.46528 44.97598 
1 1 1  -18   19   16 o   40.281   19.487  -4.7620   6.2175   6.6170   16.367  -6.6810   6.7213   62.417   30.513   39.835   19.491 22.58201 36.20687 
1 1 1  -18   19   17 o   50.283   23.168   1.6877   6.9861 -12.9800   16.330   4.9735   7.7290   51.936   26.176   56.360   25.335 -4.424065 36.42855 
1 1 1  -18   19   18 o   49.632   23.789  -0.6859   8.7716   0.0000   0.0000  -0.6859   8.7716  ?   ?    49.632   23.789 0.000000 23.78858 
1 1 1  -18   19   19 o   43.986   21.489  -4.7052   8.0808   0.0000   0.0000  -4.7052   8.0808  ?   ?    43.986   21.489 0.000000 21.48941 
1 1 1  -18   19   20 o   61.422   26.803   9.4491   8.0431   0.0000   0.0000   9.4491   8.0431  ?   ?    61.422   26.803 0.000000 26.80253 
1 1 1  -18   20    1 o  123.947   18.191   24.017   5.6667   13.430   13.907   26.125   6.2052   73.462   33.406  127.991   19.318 -54.52962 38.58902 
1 1 1  -18   20    2 o  124.696   18.584   24.503   5.8193   7.1940   13.690   28.320   6.4290   66.704   31.298  133.440   19.148 -66.73627 36.69075 
1 1 1  -18   20    3 o  137.673   17.305   29.186   6.0348   37.170   14.297   27.456   6.6569  110.393   39.482  129.581   20.516 -19.18845 44.49395 
1 1 1  -18   20    4 o  134.876   17.492   28.154   5.9673   17.970   14.999   30.069   6.5041   77.384   34.991  137.904   18.689 -60.52056 39.66989 
1 1 1  -18   20    5 o   83.862   27.877   14.568   7.0782   14.980   14.245   14.432   8.1564   74.139   33.750   80.379   29.666 -6.239700 44.93496 
1 1 1  -18   20    6 o  119.530   24.673   25.792   7.3861   15.760   15.277   28.852   8.4378   74.043   34.166  122.597   27.274 -48.55380 43.71745 
1 1 1  -18   20    7 o  192.833   14.223   54.536   7.0541   26.200   15.712   61.690   7.8945   84.975   37.260  203.694   15.069 -118.7191 40.19213 
1 1 1  -18   20    8 o   55.780   23.209   4.6433   5.5450   17.350   14.151   2.3384   6.0270   75.593   34.102   51.375   22.778 24.21848 41.01000 
1 1 1  -18   20    9 o   51.536   22.201   3.0890   5.3748   29.220   15.595  -0.4335   5.7256   87.664   37.790   45.423   20.945 42.24113 43.20577 
1 1 1  -18   20   10 f  122.667   21.187   25.543   6.4885   10.270   15.673   28.702   7.1281   66.992   32.026  128.714   22.180 -61.72203 38.95689 
1 1 1  -18   20   11 o   74.254   26.081   11.412   6.2130   3.8140   14.870   13.019   6.8385   61.425   29.815   77.550   27.351 -16.12494 40.46041 
1 1 1  -18   20   12 o   94.657   25.518   17.626   6.3990   38.150   17.129   14.298   6.8984   91.609   39.547   80.793   27.523 10.81581 48.18202 
1 1 1  -18   20   13 o   76.086   26.284   12.368   6.2975  -2.0640   15.593   15.181   6.8839   57.090   28.267   83.029   27.487 -25.93867 39.42765 
1 1 1  -18   20   14 o   37.030   18.166  -6.8813   5.9569  -5.8430   15.799  -7.0534   6.4316   54.721   27.316   38.410   18.849 16.31167 33.18840 
1 1 1  -18   20   15 o   48.414   22.147   1.5262   6.2287   13.880   15.831  -0.7364   6.7751   65.566   31.563   46.170   21.773 19.39624 38.34468 
1 1 1  -18   20   16 o   70.018   26.691   11.503   6.7187 -12.0500   16.090   16.477   7.3941   51.021   25.749   82.067   28.473 -31.04661 38.38916 
1 1 1  -18   20   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   20   18 o   57.656   26.061   7.3765   8.3107   0.0000   0.0000   7.3765   8.3107  ?   ?    57.656   26.061 0.000000 26.06093 
1 1 1  -18   20   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   21    1 o  204.319   13.440   60.673   7.0732   32.200   16.507   67.076   7.8283   89.454   38.720  213.452   14.240 -123.9983 41.25521 
1 1 1  -18   21    2 o  206.332   13.447   61.918   7.1476   59.140   17.054   62.510   7.8723  132.612   43.233  204.720   14.949 -72.10820 45.74461 
1 1 1  -18   21    3 o  144.342   22.027   35.818   7.9747   22.650   15.601   40.476   9.2785   79.046   35.720  148.529   25.005 -69.48302 43.60233 
1 1 1  -18   21    4 o   69.322   26.502   9.9282   6.6358   5.4520   14.060   11.211   7.5268   62.805   30.106   71.438   27.976 -8.633320 41.09836 
1 1 1  -18   21    5 o   57.996   24.735   5.4469   6.5509  -7.7940   13.155   9.8135   7.5543   52.559   26.013   67.795   27.528 -15.23551 37.87392 
1 1 1  -18   21    6 o   90.096   24.161   15.308   5.7544   5.2670   13.441   17.562   6.3675   61.829   29.585   95.136   25.373 -33.30681 38.97506 
1 1 1  -18   21    7 o   82.999   25.582   13.865   6.0447   2.2810   15.588   15.915   6.5578   60.414   29.585   87.896   26.559 -27.48276 39.75730 
1 1 1  -18   21    8 o  102.000   23.954   19.391   6.2209  -1.8590   14.443   24.231   6.8930   56.736   27.923  114.551   23.999 -57.81535 36.81889 
1 1 1  -18   21    9 o   55.106   23.405   4.7989   5.8214   22.910   14.922   1.5479   6.3223   76.997   34.851   49.346   22.472 27.65112 41.46811 
1 1 1  -18   21   10 o  111.299   22.757   22.472   6.3393   41.330   17.338   19.562   6.8109   92.037   39.760   97.857   26.303 -5.819786 47.67289 
1 1 1  -18   21   11 o   44.445   20.656  -0.3407   5.7345 -24.2000   14.947   3.7775   6.2097   46.213   23.484   52.726   23.262 -6.513428 33.05420 
1 1 1  -18   21   12 o   43.129   20.225  -0.9895   5.7037  -2.3290   15.415  -0.7770   6.1394   55.329   27.516   44.567   20.926 10.76217 34.56942 
1 1 1  -18   21   13 o   74.008   26.099   12.323   6.2265   12.230   15.938   12.340   6.7641   63.234   30.733   72.268   26.947 -9.034718 40.87368 
1 1 1  -18   21   14 o   61.841   25.049   8.3880   6.2386   18.750   16.774   6.7246   6.7207   66.194   32.019   57.682   24.837 8.511971 40.52259 
1 1 1  -18   21   15 o   54.747   24.403   5.5081   7.0111   0.0000   0.0000   5.5081   7.0111  ?   ?    54.747   24.403 0.000000 24.40339 
1 1 1  -18   21   16 o   44.248   22.277 -12.3400   11.647   0.0000   0.0000 -12.3400   11.647  ?   ?    44.248   22.277 0.000000 22.27656 
1 1 1  -18   21   17 o   49.979   24.181   1.4498   9.5782   0.0000   0.0000   1.4498   9.5782  ?   ?    49.979   24.181 0.000000 24.18051 
1 1 1  -18   22    1 o   59.987   25.354   6.7622   6.7782   6.9070   13.781   6.7161   7.7849   62.045   29.759   60.079   26.289 1.966316 39.70764 
1 1 1  -18   22    2 o  150.284   21.255   39.090   8.0434   38.610   16.043   39.252   9.2963   94.097   39.343  141.819   26.274 -47.72132 47.30906 
1 1 1  -18   22    3 o  104.061   26.502   21.968   7.1630  -2.3310   14.276   30.143   8.2807   55.634   27.453  122.657   26.811 -67.02266 38.37361 
1 1 1  -18   22    4 o   70.854   24.867   10.348   5.6477   23.100   13.787   7.7771   6.1909   78.262   34.587   62.214   25.039 16.04713 42.69961 
1 1 1  -18   22    5 o  109.030   22.590   21.595   6.1703   11.610   15.170   23.574   6.7542   64.894   31.151  111.869   24.026 -46.97559 39.33993 
1 1 1  -18   22    6 o   53.008   22.674   4.2819   5.5343   11.160   13.648   2.9284   6.0544   64.430   30.540   50.802   22.659 13.62807 38.02750 
1 1 1  -18   22    7 o  103.852   23.814   20.533   6.2696   14.360   14.891   21.863   6.9120   66.289   31.559  104.011   25.784 -37.72208 40.75243 
1 1 1  -18   22    8 o   97.914   25.655   19.626   6.5850   34.900   16.502   16.733   7.1815   83.272   37.255   84.411   28.081 -1.139160 46.65281 
1 1 1  -18   22    9 o  112.216   23.071   23.612   6.4820   8.2660   15.631   26.798   7.1233   60.623   29.675  118.036   24.113 -57.41341 38.23609 
1 1 1  -18   22   10 o   55.307   23.510   5.6169   5.8829   13.700   16.588   4.4541   6.2918   63.215   30.864   53.036   23.406 10.17951 38.73479 
1 1 1  -18   22   11 o   60.383   24.624   7.8862   6.0770   25.610   15.638   4.7339   6.5953   72.197   33.739   53.406   23.746 18.79160 41.25768 
1 1 1  -18   22   12 o   61.152   24.982   8.4835   6.2693   2.6530   15.650   9.5980   6.8423   55.515   27.627   63.063   25.969 -7.548363 37.91641 
1 1 1  -18   22   13 o   52.421   23.748   4.5951   6.9460   0.0000   0.0000   4.5951   6.9460  ?   ?    52.421   23.748 0.000000 23.74790 
1 1 1  -18   22   14 o   56.456   25.600   7.4142   8.0932   0.0000   0.0000   7.4142   8.0932  ?   ?    56.456   25.600 0.000000 25.59967 
1 1 1  -18   22   15 o   41.687   20.631  -5.8711   8.2704 -18.0400   16.966  -2.0784   9.4720   46.600   23.801   46.384   22.785 0.2160149 32.94910 
1 1 1  -18   23    1 o   70.495   24.854   10.721   5.6464   18.320   13.178   9.0122   6.2491   70.048   32.106   63.892   25.343 6.156765 40.90275 
1 1 1  -18   23    2 o   47.570   21.401   2.1068   5.5283  -6.3300   13.658   3.7599   6.0457   50.986   25.443   51.567   22.841 -0.5805664 34.19134 
1 1 1  -18   23    3 o   86.084   25.104   15.532   5.9427   4.4780   15.052   17.574   6.4681   57.681   28.411   90.212   26.156 -32.53173 38.61750 
1 1 1  -18   23    4 o   46.028   21.064   1.2473   5.6429   0.4208   14.402   1.3972   6.1333   54.846   27.157   47.234   21.742 7.611870 34.78866 
1 1 1  -18   23    5 o   59.910   24.251   7.5801   5.8433  -8.8650   14.125   10.975   6.4182   49.715   24.962   68.285   26.073 -18.56908 36.09620 
1 1 1  -18   23    6 o   61.740   26.608   9.2642   7.7275   36.400   15.980   0.9817   8.8284   82.256   36.741   50.282   24.037 31.97416 43.90538 
1 1 1  -18   23    7 o  113.845   22.765   24.659   6.4787   11.670   15.787   27.290   7.1045   60.605   29.699  117.508   24.148 -56.90292 38.27741 
1 1 1  -18   23    8 o   37.688   18.394  -4.9236   5.8766   1.7630   14.759  -6.1835   6.4064   54.355   27.014   37.981   18.674 16.37471 32.83990 
1 1 1  -18   23    9 o   62.826   25.060   9.3403   6.1417  -8.0220   15.756   12.451   6.6693   50.113   25.313   69.991   26.613 -19.87782 36.72897 
1 1 1  -18   23   10 o   69.296   25.612   11.712   6.0843   1.0160   15.726   13.595   6.5981   53.292   26.699   72.945   26.719 -19.65363 37.77196 
1 1 1  -18   23   11 o   90.275   27.798   20.328   7.1393   0.0000   0.0000   20.328   7.1393  ?   ?    90.275   27.798 0.000000 27.79799 
1 1 1  -18   23   12 o   46.126   22.142   0.3844   7.6637   0.0000   0.0000   0.3844   7.6637  ?   ?    46.126   22.142 0.000000 22.14175 
1 1 1  -18   24    1 o   44.423   20.428   1.2001   5.3961  -2.0050   13.267   1.8354   5.9067   50.795   25.304   46.420   21.356 4.375706 33.11184 
1 1 1  -18   24    2 o   45.428   20.956   1.4467   5.7409  -6.8550   14.741   2.9309   6.2330   49.479   24.929   48.635   22.212 0.8442459 33.38926 
1 1 1  -18   24    3 o   57.071   24.005   7.2133   6.0283   21.640   14.469   4.1828   6.6313   66.571   31.522   51.000   23.144 15.57095 39.10616 
1 1 1  -18   24    4 o   97.723   24.866   20.381   6.3099   8.4030   14.958   22.974   6.9594   56.554   27.944  101.375   26.284 -44.82086 38.36224 
1 1 1  -18   24    5 o   80.160   26.418   15.684   6.3614   20.110   16.114   14.867   6.9238   62.749   30.588   74.492   27.358 -11.74277 41.03736 
1 1 1  -18   24    6 o   40.414   19.246  -1.2883   5.5478   0.8627   14.384  -1.6642   6.0130   51.795   25.887   41.040   19.677 10.75506 32.51669 
1 1 1  -18   24    7 o   46.441   21.284   2.4571   5.7899  -6.5790   15.732   3.8728   6.2270   49.014   24.820   49.328   22.401 -0.3143005 33.43411 
1 1 1  -18   24    8 f   43.823   20.888   0.0356   6.5639   0.0000   0.0000   0.0356   6.5639  ?   ?    43.823   20.888 0.000000 20.88776 
1 1 1  -18   24    9 o   38.116   18.934  -6.9640   7.2174   0.0000   0.0000  -6.9640   7.2174  ?   ?    38.116   18.934 0.000000 18.93407 
1 1 1  -17    0    1 o  186.480   12.619   46.235   6.0313   46.235   6.0313   46.235   6.0313  186.480   12.619  186.480   12.619 -0.000000 0.000000 
1 1 1  -17    0    2 o  215.737   12.526   61.657   6.9460   61.657   6.9460   61.657   6.9460  215.737   12.526  215.737   12.526 -0.000000 0.000000 
1 1 1  -17    0    3 o  377.967   12.023  187.797   11.744  187.797   11.744  187.797   11.744  377.967   12.023  377.967   12.023 0.000000 0.000000 
1 1 1  -17    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17    0    5 o  286.665   12.807  108.542   9.4665  108.542   9.4665  108.542   9.4665  286.665   12.807  286.665   12.807 -0.000000 0.000000 
1 1 1  -17    0    6 f   46.219   25.783   4.0876   4.5977   4.0876   4.5977   4.0876   4.5977   46.219   25.783   46.219   25.783 -0.000000 0.000000 
1 1 1  -17    0    7 o   73.107   29.051   10.040   5.3110   10.040   5.3110   10.040   5.3110   73.107   29.051   73.107   29.051 -0.000000 0.000000 
1 1 1  -17    0    8 o   31.784   21.160  -1.0985   4.6963  -1.0985   4.6963  -1.0985   4.6963   31.784   21.160   31.784   21.160 0.000000 0.000000 
1 1 1  -17    0    9 o   85.852   29.257   12.987   5.8359   12.987   5.8359   12.987   5.8359   85.852   29.257   85.852   29.257 0.000000 0.000000 
1 1 1  -17    0   10 o  156.741   17.909   33.976   7.0257   33.976   7.0257   33.976   7.0257  156.741   17.909  156.741   17.909 -0.000000 0.000000 
1 1 1  -17    0   11 o  136.091   21.513   26.681   7.0166   26.681   7.0166   26.681   7.0166  136.091   21.513  136.091   21.513 0.000000 0.000000 
1 1 1  -17    0   12 o   53.095   30.346   5.5313   6.5740   5.5313   6.5740   5.5313   6.5740   53.095   30.346   53.095   30.346 0.000000 0.000000 
1 1 1  -17    0   13 o  122.533   36.374   26.090   10.044   26.090   10.044   26.090   10.044  122.533   36.374  122.533   36.374 0.000000 0.000000 
1 1 1  -17    0   14 o   34.110   23.490  -4.1156   6.8578  -4.1156   6.8578  -4.1156   6.8578   34.110   23.490   34.110   23.490 -0.000000 0.000000 
1 1 1  -17    0   15 o  282.616   15.414  107.289   11.207  107.289   11.207  107.289   11.207  282.616   15.414  282.616   15.414 0.000000 0.000000 
1 1 1  -17    0   16 o   80.236   35.319   13.422   7.6927   13.422   7.6927   13.422   7.6927   80.236   35.319   80.236   35.319 0.000000 0.000000 
1 1 1  -17    0   17 o   74.732   35.285   12.115   7.7210   12.115   7.7210   12.115   7.7210   74.732   35.285   74.732   35.285 0.000000 0.000000 
1 1 1  -17    0   18 o  131.614   27.058   26.855   8.1494   26.855   8.1494   26.855   8.1494  131.614   27.058  131.614   27.058 -0.000000 0.000000 
1 1 1  -17    0   19 o   96.615   41.340   20.350   10.566   20.350   10.566   20.350   10.566   96.615   41.340   96.615   41.340 0.000000 0.000000 
1 1 1  -17    0   20 o   88.039   42.048   18.360   10.997   18.360   10.997   18.360   10.997   88.039   42.048   88.039   42.048 -0.000000 0.000000 
1 1 1  -17    0   21 o  100.502   43.874   23.260   11.875   23.260   11.875   23.260   11.875  100.502   43.874  100.502   43.874 -0.000000 0.000000 
1 1 1  -17    0   22 f   72.315   40.761   13.600   11.645   13.600   11.645   13.600   11.645   72.315   40.761   72.315   40.761 -0.000000 0.000000 
1 1 1  -17    0   23 o   35.334   25.657 -21.3600   13.029 -21.3600   13.029 -21.3600   13.029   35.334   25.657   35.334   25.657 -0.000000 0.000000 
1 1 1  -17    0   24 o   53.473   32.791   6.0322   8.7280   6.0322   8.7280   6.0322   8.7280   53.473   32.791   53.473   32.791 0.000000 0.000000 
1 1 1  -17    0   25 o   49.222   31.634   3.8338   9.2178   3.8338   9.2178   3.8338   9.2178   49.222   31.634   49.222   31.634 0.000000 0.000000 
1 1 1  -17    0   26 o  209.674   21.946   65.226   11.620   65.226   11.620   65.226   11.620  209.674   21.946  209.674   21.946 0.000000 0.000000 
1 1 1  -17    0   27 o   98.957   41.043   23.473   10.470   23.473   10.470   23.473   10.470   98.957   41.043   98.957   41.043 -0.000000 0.000000 
1 1 1  -17    0   28 o   89.802   40.821   21.035   10.278   21.035   10.278   21.035   10.278   89.802   40.821   89.802   40.821 -0.000000 0.000000 
1 1 1  -17    0   29 o  108.594   42.064   28.421   11.249   28.421   11.249   28.421   11.249  108.594   42.064  108.594   42.064 -0.000000 0.000000 
1 1 1  -17    0   30 o  148.880   34.470   41.533   11.566   41.533   11.566   41.533   11.566  148.880   34.470  148.880   34.470 0.000000 0.000000 
1 1 1  -17    0   31 o   41.453   29.236  -4.0170   12.511  -4.0170   12.511  -4.0170   12.511   41.453   29.236   41.453   29.236 -0.000000 0.000000 
1 1 1  -17    0   32 o  131.859   39.867   38.741   11.878   38.741   11.878   38.741   11.878  131.859   39.867  131.859   39.867 -0.000000 0.000000 
1 1 1  -17    0   33 o   41.863   28.887   1.1546   10.494   1.1546   10.494   1.1546   10.494   41.863   28.887   41.863   28.887 -0.000000 0.000000 
1 1 1  -17    1    1 o  184.155   8.6305   44.349   4.1169   35.375   5.7624   53.704   5.8838  162.722   13.801  201.657   11.310 -38.93451 17.84339 
1 1 1  -17    1    2 f  260.585   8.4624   88.772   5.7120   84.845   8.0081   92.839   8.1498  253.490   12.196  265.301   11.859 -11.81076 17.01138 
1 1 1  -17    1    3 o  216.721   9.7698   61.599   5.4845   57.560   8.7717   64.192   7.0275  206.520   16.536  220.081   12.378 -13.56081 20.65543 
1 1 1  -17    1    4 o  247.553   8.8223   80.199   5.6572   73.480   7.8869   87.321   8.1191  235.203   12.996  257.103   12.191 -21.90034 17.81899 
1 1 1  -17    1    5 o  164.410   12.534   35.954   5.2975   45.490   11.002   33.076   6.0443  179.059   24.352  156.734   15.074 22.32425 28.64017 
1 1 1  -17    1    6 o  169.157   10.366   37.751   4.5201   37.067   6.3732   38.443   6.4118  165.976   14.986  169.133   14.784 -3.157471 21.05056 
1 1 1  -17    1    7 o  116.943   13.186   18.365   3.9246   20.955   5.5671   15.805   5.5334  123.272   17.963  105.607   20.967 17.66483 27.60955 
1 1 1  -17    1    8 o  243.748   9.5246   77.981   6.0137   78.028   8.5689   77.936   8.4417  241.740   13.741  241.704   13.538 0.3561401E-01 19.28965 
1 1 1  -17    1    9 o  350.377   9.0771  160.999   8.2383  172.629   11.910  150.331   11.407  360.637   12.750  336.317   13.095 24.31979 18.27615 
1 1 1  -17    1   10 o  218.864   10.380   63.097   5.8846   57.870   8.3591   68.233   8.2857  206.849   15.719  225.524   14.257 -18.67488 21.22114 
1 1 1  -17    1   11 o  133.139   14.238   23.962   4.8341   19.308   6.7821   28.768   6.8922  115.297   23.506  143.837   18.960 -28.54053 30.19994 
1 1 1  -17    1   12 o  166.682   13.113   37.247   5.6157   37.840   7.8673   36.631   8.0186  165.193   18.716  162.064   19.492 3.128555 27.02292 
1 1 1  -17    1   13 o  130.135   22.638   24.431   7.3539   22.950   9.0611   27.290   12.587  122.213   29.050  128.246   36.270 -6.033073 46.46970 
1 1 1  -17    1   14 o  110.939   22.055   17.846   6.1147   27.030   12.253   14.801   7.0563  127.538   35.685   98.676   26.878 28.86198 44.67508 
1 1 1  -17    1   15 o  215.410   11.898   61.916   6.6132   56.923   9.2415   67.155   9.4676  202.903   17.762  221.329   16.636 -18.42554 24.33617 
1 1 1  -17    1   16 o  179.616   13.334   43.494   6.1593   55.958   8.6074   30.413   8.8176  201.741   16.619  143.376   24.630 58.36411 29.71237 
1 1 1  -17    1   17 o   98.180   21.538   14.128   5.3269   19.258   7.4590   8.7881   7.6100  112.316   26.130   78.689   28.714 33.62642 38.82409 
1 1 1  -17    1   18 o   89.461   24.143   12.103   5.7245   8.8660   8.7763   14.499   7.5523   79.879   30.492   95.939   28.392 -16.06031 41.66372 
1 1 1  -17    1   19 o  124.385   20.644   22.412   6.4181   24.860   9.5950   20.431   8.6340  124.115   30.145  112.839   29.285 11.27615 42.02769 
1 1 1  -17    1   20 o   65.491   25.205   5.3136   6.0279   17.350   8.8030  -5.3126   8.2712  102.446   30.730   52.136   24.419 50.30983 39.25070 
1 1 1  -17    1   21 o   81.068   26.103   10.192   6.2290   5.8087   7.6753   18.650   10.661   69.642   27.933  103.019   34.211 -33.37669 44.16602 
1 1 1  -17    1   22 o   76.151   28.131   8.6783   7.3374   5.1910   9.8329   13.060   11.022   71.726   30.439   88.574   34.085 -16.84846 45.69781 
1 1 1  -17    1   23 o  176.468   23.605   47.364   10.520   55.460   15.688   40.750   14.180  175.656   35.695  147.499   37.138 28.15613 51.51101 
1 1 1  -17    1   24 o  175.154   16.558   43.477   7.4234   64.092   10.428   22.297   10.570  209.635   19.424  109.437   33.845 100.1975 39.02291 
1 1 1  -17    1   25 o  230.636   14.285   73.933   8.4922   65.984   12.046   81.786   11.974  207.383   22.802  235.426   19.819 -28.04266 30.21082 
1 1 1  -17    1   26 f  109.587   25.378   19.728   7.0621   20.473   10.177   19.035   9.8081  102.591   33.394   99.512   32.803 3.079277 46.81025 
1 1 1  -17    1   27 o   98.418   27.374   16.885   7.2322   16.099   10.276   17.656   10.180   89.937   33.278   93.881   33.344 -3.944130 47.10833 
1 1 1  -17    1   28 o  132.034   22.670   27.749   7.4741   24.752   10.541   30.779   10.600  110.269   33.747  126.916   32.193 -16.64639 46.63960 
1 1 1  -17    1   29 o   91.155   28.464   15.435   7.4560   19.272   10.554   11.611   10.535   94.490   33.909   77.895   32.166 16.59430 46.73807 
1 1 1  -17    1   30 o  123.275   25.294   25.990   7.8059   16.549   11.079   35.296   11.000   86.020   33.863  134.050   32.103 -48.02938 46.66159 
1 1 1  -17    1   31 o   98.419   32.039   20.689   9.3673   12.210   14.125   27.346   12.516   75.869   34.163  103.952   36.965 -28.08309 50.33454 
1 1 1  -17    1   32 o  141.843   28.501   37.867   10.108   63.220   18.833   27.607   11.980  142.021   45.353  103.798   36.230 38.22298 58.04778 
1 1 1  -17    1   33 o  127.746   25.956   29.907   8.2959   15.379   11.765   44.274   11.700   77.215   33.045  145.151   31.981 -67.93605 45.98612 
1 1 1  -17    2    1 o  237.802   8.3323   73.911   5.1325   72.185   7.2992   75.598   7.2185  233.542   12.107  239.471   11.637 -5.929642 16.79310 
1 1 1  -17    2    2 o  234.663   11.649   72.603   7.0806   71.590   9.2462   74.040   11.010  230.963   15.546  233.309   18.367 -2.345932 24.06271 
1 1 1  -17    2    3 o   89.765   13.986   10.941   3.1461   8.8158   4.1554   13.797   4.8159   78.897   20.236   99.227   19.432 -20.33070 28.05520 
1 1 1  -17    2    4 o  155.593   10.045   31.911   4.0267   25.868   5.5070   38.854   5.9028  138.249   15.654  170.622   13.465 -32.37253 20.64861 
1 1 1  -17    2    5 o  314.726   12.883  131.234   10.502  115.300   15.487  144.800   14.290  289.210   20.813  327.571   16.899 -38.36105 26.80906 
1 1 1  -17    2    6 o  394.580   8.7988  203.856   8.9931  193.982   12.686  213.831   12.751  382.597   12.801  402.084   12.242 -19.48682 17.71251 
1 1 1  -17    2    7 o  302.037   8.9638  119.531   7.0130  109.636   9.7388  130.188   10.107  287.399   13.082  313.541   12.445 -26.14209 18.05567 
1 1 1  -17    2    8 f  202.690   10.196   54.166   5.3360   48.805   7.5454   59.529   7.5471  190.196   15.449  210.949   13.890 -20.75276 20.77476 
1 1 1  -17    2    9 o   69.634   20.076   6.8460   3.8201   8.9302   5.3294   4.6436   5.4785   78.884   23.966   63.907   24.163 14.97695 34.03320 
1 1 1  -17    2   10 o  160.835   12.170   34.477   5.0326   41.489   7.2319   27.892   7.0078  174.715   16.163  141.348   19.673 33.36777 25.46150 
1 1 1  -17    2   11 o  264.517   14.525   94.046   9.9143   94.046   9.9143   0.0000   0.0000  264.517   14.525  ?   ?  0.000000 14.52522 
1 1 1  -17    2   12 o  243.217   11.691   78.423   7.3655   70.680   11.756   83.426   9.4503  224.941   20.398  248.793   14.730 -23.85216 25.16046 
1 1 1  -17    2   13 o  143.106   17.468   28.315   6.3409   28.837   7.4181   26.900   12.218  142.708   20.669  127.700   35.601 15.00838 41.16637 
1 1 1  -17    2   14 o   75.735   27.953   7.6650   7.2419   14.720   12.920   4.4330   8.7447   97.815   37.078   70.885   29.291 26.93006 47.25190 
1 1 1  -17    2   15 o   97.768   20.337   13.780   4.9826   14.118   7.2537   13.479   6.8560   95.820   27.675   93.980   26.834 1.840431 38.54873 
1 1 1  -17    2   16 o  189.264   13.089   48.214   6.3774   44.402   9.1262   51.853   8.9155  177.044   20.265  193.126   18.031 -16.08194 27.12528 
1 1 1  -17    2   17 o  216.843   13.079   63.310   7.3119   67.510   12.096   60.892   9.1788  216.846   21.831  209.907   17.028 6.939362 27.68704 
1 1 1  -17    2   18 o  196.393   14.043   52.367   7.0968   39.610   11.079   61.242   9.2414  160.589   27.631  210.162   17.125 -49.57234 32.50780 
1 1 1  -17    2   19 o  188.492   15.235   48.764   7.3751   43.300   11.585   52.487   9.5632  167.400   27.685  192.274   19.470 -24.87363 33.84605 
1 1 1  -17    2   20 o  210.141   13.046   59.785   7.0662   53.863   9.9127   65.903   10.075  193.864   20.029  216.408   18.141 -22.54347 27.02306 
1 1 1  -17    2   21 o  200.590   13.832   54.930   7.1429   62.610   10.041   47.061   10.164  209.934   18.659  178.363   22.499 31.57077 29.22940 
1 1 1  -17    2   22 o  121.559   34.813   26.700   11.522   26.700   11.522   0.0000   0.0000  121.559   34.813  ?   ?  0.000000 34.81303 
1 1 1  -17    2   23 o  217.530   20.512   69.346   11.422   65.880   18.146   71.620   14.699  186.864   38.759  211.986   27.410 -25.12256 47.47197 
1 1 1  -17    2   24 o  113.208   26.914   21.025   7.7765   16.961   9.4752   29.410   13.611   96.712   32.259  119.524   38.597 -22.81214 50.30314 
1 1 1  -17    2   25 f   88.991   27.501   13.461   6.9806   18.743   9.7394   7.8818   10.010   99.971   32.675   74.466   31.101 25.50510 45.11031 
1 1 1  -17    2   26 o  102.588   25.950   17.576   6.9007   23.854   9.7775   11.345   9.7407  113.121   31.958   80.390   31.719 32.73184 45.02624 
1 1 1  -17    2   27 o   46.894   21.740  -2.5027   6.2925   8.0081   9.0562 -12.3136   8.7495   72.122   29.806   44.535   21.882 27.58615 36.97575 
1 1 1  -17    2   28 o   48.750   22.542  -1.9941   6.7013   4.3582   9.4515  -8.4154   9.5028   65.158   28.725   49.702   24.056 15.45589 37.46723 
1 1 1  -17    2   29 o   93.372   28.078   16.048   7.3427   11.563   10.259   20.758   10.514   77.714   31.877   98.107   33.958 -20.39300 46.57526 
1 1 1  -17    2   30 o   60.025   25.843   4.1088   7.2745  -0.5023   10.273   8.7468   10.303   58.500   27.340   71.513   30.772 -13.01286 41.16319 
1 1 1  -17    2   31 o  138.306   32.335   38.603   11.377   44.960   15.105   30.270   17.294  131.515   40.424   95.886   40.512 35.62919 57.23012 
1 1 1  -17    2   32 f   80.836   31.650   14.852   9.6320   10.490   17.930   16.622   11.420   72.343   34.492   81.839   33.608 -9.495583 48.15800 
1 1 1  -17    2   33 o   57.206   25.316   3.8614   7.4104   6.5288   10.112   0.7673   10.891   63.960   28.844   57.803   27.364 6.157276 39.75862 
1 1 1  -17    3    1 o  331.016   11.028  144.232   9.4554   0.0000   0.0000  144.232   9.4554  ?   ?   331.016   11.028 0.000000 11.02761 
1 1 1  -17    3    2 o  276.512   8.4055   99.972   6.0204   95.685   8.4445  104.404   8.5857  269.149   12.112  281.292   11.783 -12.14279 16.89839 
1 1 1  -17    3    3 f  322.696   12.253  137.635   10.242   0.0000   0.0000  137.635   10.242  ?   ?   322.696   12.253 0.000000 12.25331 
1 1 1  -17    3    4 o  244.905   12.790   79.642   8.0855   0.0000   0.0000   79.642   8.0855  ?   ?   244.905   12.790 0.000000 12.78996 
1 1 1  -17    3    5 o  106.922   15.065   15.548   4.0568   13.263   4.8771   20.680   7.3085   96.897   20.091  119.658   24.406 -22.76109 31.61187 
1 1 1  -17    3    6 o   96.383   19.888   13.120   4.8006  -3.0690   10.252   17.667   5.4331   63.762   28.871  112.451   19.350 -48.68935 34.75613 
1 1 1  -17    3    7 o  138.537   12.085   25.573   4.2934   15.279   5.9536   36.727   6.1971  102.930   22.919  165.213   14.632 -62.28306 27.19145 
1 1 1  -17    3    8 o  141.678   12.169   26.765   4.4225   22.213   5.9850   32.239   6.5637  126.431   18.851  153.730   16.754 -27.29950 25.22076 
1 1 1  -17    3    9 o  217.191   10.140   62.083   5.7046   61.506   7.8646   62.723   8.2869  214.094   14.263  215.863   14.912 -1.769058 20.63504 
1 1 1  -17    3   10 o  317.084   13.270  133.951   10.899   0.0000   0.0000  133.951   10.899  ?   ?   317.084   13.270 0.000000 13.27017 
1 1 1  -17    3   11 o  108.053   17.050   16.186   4.6139   13.649   6.2662   19.191   6.8188   95.959   24.970  114.704   23.732 -18.74500 34.44886 
1 1 1  -17    3   12 o  172.256   17.074   40.724   7.5178   41.360   9.6471   39.740   11.996  170.283   22.416  161.508   29.772 8.775284 37.26746 
1 1 1  -17    3   13 o  162.280   13.543   35.468   5.6407   36.197   8.0348   34.760   7.9208  160.625   19.726  157.272   19.888 3.353165 28.01139 
1 1 1  -17    3   14 o  173.378   20.348   42.421   8.9644   31.090   13.495   51.370   11.993  135.232   37.309  186.916   25.431 -51.68338 45.15175 
1 1 1  -17    3   15 o  319.326   11.374  135.454   9.4083  148.400   15.483  127.875   11.846  327.353   18.333  307.549   14.870 19.80350 23.60570 
1 1 1  -17    3   16 o  276.879   12.214  102.348   8.7601  100.300   14.153  103.619   11.153  266.175   20.690  275.554   15.691 -9.378876 25.96665 
1 1 1  -17    3   17 o  173.269   14.950   41.006   6.6443   44.450   10.516   38.718   8.5721  173.784   24.001  164.669   20.544 9.114670 31.59246 
1 1 1  -17    3   18 o  188.189   13.714   48.027   6.6390   39.818   9.1827   57.017   9.6098  165.633   21.943  201.441   18.628 -35.80774 28.78369 
1 1 1  -17    3   19 o  132.064   17.666   24.577   5.8918   27.982   8.5971   21.561   8.0904  135.637   25.403  117.404   27.145 18.23298 37.17778 
1 1 1  -17    3   20 o  153.795   16.439   32.988   6.4473   38.849   9.3453   27.664   8.9063  161.934   22.920  133.302   26.724 28.63275 35.20626 
1 1 1  -17    3   21 o  115.474   21.005   19.684   6.0513   11.658   8.6675   27.316   8.4522   85.257   30.715  132.938   25.473 -47.68045 39.90312 
1 1 1  -17    3   22 o   95.095   27.723   14.787   7.2484   18.329   8.6589   6.4920   13.251  103.931   30.301   78.590   34.345 25.34153 45.80086 
1 1 1  -17    3   23 o  140.982   28.781   32.726   10.155   51.140   16.848   22.220   12.727  160.172   40.565  106.131   37.325 54.04099 55.12423 
1 1 1  -17    3   24 o  110.235   26.366   19.854   7.4274   13.481   9.2908   31.140   12.363   87.400   31.752  127.213   35.935 -39.81295 47.95368 
1 1 1  -17    3   25 o  103.418   27.822   18.255   7.6162   15.786   9.3647   23.080   13.090   92.283   32.042  104.027   37.705 -11.74425 49.48094 
1 1 1  -17    3   26 o  162.809   20.040   39.830   8.2730   30.886   10.115   57.910   14.380  131.905   30.248  179.201   32.161 -47.29515 44.15034 
1 1 1  -17    3   27 o   86.635   27.423   13.240   6.8969   13.883   9.3554   12.475   10.208   85.163   31.704   81.476   32.367 3.687126 45.30754 
1 1 1  -17    3   28 o   87.667   27.621   13.860   7.0034   18.701   9.6719   8.5244   10.154   95.910   32.590   72.781   30.912 23.12875 44.91813 
1 1 1  -17    3   29 o  103.697   27.326   19.292   7.4433   14.612   10.336   24.334   10.728   83.688   32.781  106.420   34.255 -22.73169 47.41350 
1 1 1  -17    3   30 o   68.493   27.394   7.9408   7.3593  -0.7958   10.258   17.208   10.564   57.997   27.174   87.714   33.461 -29.71671 43.10514 
1 1 1  -17    3   31 o  109.871   33.989   26.962   10.659   28.410   14.370   25.190   15.894   99.402   38.731   90.817   38.625 8.584373 54.69883 
1 1 1  -17    3   32 o   79.855   31.533   14.553   9.6346   4.0750   16.883   19.613   11.732   67.003   32.341   86.565   34.600 -19.56281 47.36150 
1 1 1  -17    3   33 o   76.098   28.690   12.462   7.7095   19.566   10.987   5.5720   10.820   85.522   33.705   62.888   28.922 22.63473 44.41336 
1 1 1  -17    4    1 o   97.361   22.945   13.638   5.6917   15.280   9.2562   12.640   7.2175  100.909   31.748   92.814   27.822 8.094666 42.21379 
1 1 1  -17    4    2 o   85.418   14.799   9.9900   3.1557   20.010   9.3135   8.6904   3.3542  114.877   30.708   78.972   16.907 35.90565 35.05474 
1 1 1  -17    4    3 o  252.002   8.8407   83.151   5.7708   79.709   8.0640   86.766   8.2620  244.989   12.751  256.054   12.457 -11.06538 17.82602 
1 1 1  -17    4    4 o  152.836   10.407   30.855   4.0956   23.941   5.4740   39.647   6.1730  132.604   16.278  172.068   13.970 -39.46410 21.45125 
1 1 1  -17    4    5 o  143.796   11.158   27.418   4.1237   24.434   5.6496   30.819   6.0327  133.784   16.664  150.876   15.665 -17.09178 22.87067 
1 1 1  -17    4    6 o  231.532   11.730   71.014   7.0120   62.280   13.188   74.456   8.2792  208.870   24.864  236.198   13.589 -27.32816 28.33548 
1 1 1  -17    4    7 o  179.581   15.633   43.605   7.1993   0.0000   0.0000   43.605   7.1993  ?   ?   179.581   15.633 0.000000 15.63278 
1 1 1  -17    4    8 o   91.277   17.583   11.642   4.0065   7.4556   5.4176   16.697   5.9523   73.345   24.389  107.881   22.045 -34.53540 32.87568 
1 1 1  -17    4    9 o   68.294   21.043   6.5402   4.0904   7.1709   5.5305   5.7786   6.0774   72.358   24.644   68.734   25.560 3.623962 35.50490 
1 1 1  -17    4   10 o   51.053   20.137   2.3328   3.9251   5.7488   5.2550  -1.9778   5.9031   66.807   23.932   49.032   22.081 17.77454 32.56272 
1 1 1  -17    4   11 o   87.756   24.036   11.343   5.6247   6.3810   7.1298   19.520   9.1530   72.372   27.517  111.896   30.668 -39.52440 41.20313 
1 1 1  -17    4   12 o  171.208   12.965   39.311   5.7071   38.606   7.9913   40.045   8.1532  166.558   18.855  169.654   18.873 -3.096283 26.67740 
1 1 1  -17    4   13 o  143.747   15.465   28.231   5.6677   18.862   7.9191   38.069   8.1152  111.038   27.641  164.878   19.370 -53.83987 33.75274 
1 1 1  -17    4   14 o   85.902   32.917   10.290   10.253   0.0000   0.0000   10.290   10.253  ?   ?    85.902   32.917 0.000000 32.91721 
1 1 1  -17    4   15 o  132.424   18.260   24.594   6.0970   26.670   9.6620   23.220   7.8593  130.753   29.259  124.504   25.234 6.249115 38.63704 
1 1 1  -17    4   16 o  139.742   18.138   27.387   6.4107   32.590   10.101   23.878   8.2953  145.774   27.766  125.226   26.405 20.54836 38.31648 
1 1 1  -17    4   17 o  191.035   13.354   49.323   6.5666   47.575   9.4062   50.985   9.1714  182.843   20.197  190.422   18.841 -7.578995 27.62100 
1 1 1  -17    4   18 o  171.687   14.599   40.286   6.4308   26.775   8.9339   54.814   9.2640  131.530   27.123  197.612   18.306 -66.08220 32.72264 
1 1 1  -17    4   19 o  124.738   20.245   22.531   6.3171   17.768   8.5608   28.225   9.3599  104.198   30.057  134.044   27.866 -29.84565 40.98722 
1 1 1  -17    4   20 o  149.520   16.553   31.267   6.3033   31.406   8.8083   31.120   9.0241  143.940   24.502  142.546   25.370 1.394211 35.27029 
1 1 1  -17    4   21 o  114.626   28.055   21.268   8.2622   10.440   10.207   41.850   14.072   82.791   32.531  152.885   36.110 -70.09396 48.60274 
1 1 1  -17    4   22 o  285.257   11.760  109.602   8.6895  124.651   12.659   96.192   11.949  298.445   16.438  260.385   17.824 38.06024 24.24676 
1 1 1  -17    4   23 o  109.203   33.394   21.833   10.323   11.140   17.167   27.890   12.921   86.432   38.377  118.610   37.533 -32.17737 53.67929 
1 1 1  -17    4   24 o  101.123   25.632   16.673   6.7227   11.568   9.7585   21.285   9.2747   82.407   31.970  109.012   31.239 -26.60495 44.69847 
1 1 1  -17    4   25 o  166.490   19.919   41.328   8.4199   47.386   10.496   30.390   14.103  173.548   23.989  117.220   39.356 56.32860 46.09091 
1 1 1  -17    4   26 o  167.065   19.980   41.997   8.4750   43.059   10.636   40.150   14.027  161.510   26.330  138.329   37.986 23.18196 46.21900 
1 1 1  -17    4   27 o   79.885   28.765   11.447   7.6009   7.7425   9.4659   18.170   12.753   71.499   30.077   90.728   36.136 -19.22933 47.01506 
1 1 1  -17    4   28 o   80.290   29.209   11.969   7.8656   12.155   9.6461   11.600   13.588   79.604   31.515   78.496   34.529 1.107475 46.74874 
1 1 1  -17    4   29 o   69.294   27.372   8.0523   7.2616   2.3472   9.9863   14.454   10.578   61.940   28.221   82.776   32.929 -20.83654 43.36728 
1 1 1  -17    4   30 o  126.301   27.885   28.984   8.8789   32.620   14.188   26.643   11.383  110.476   39.350  107.585   35.333 2.890976 52.88566 
1 1 1  -17    4   31 o   62.732   27.578   5.2032   8.6555   9.9065   10.340  -5.8090   15.822   71.658   30.831   60.751   29.762 10.90721 42.85255 
1 1 1  -17    4   32 o   62.717   28.132   5.4025   9.4752  -1.3320   17.301   8.2877   11.324   63.410   31.077   67.894   30.579 -4.484028 43.59894 
1 1 1  -17    4   33 o   88.767   29.715   17.418   8.0396   10.673   11.374   24.153   11.366   69.305   30.973   93.512   34.918 -24.20634 46.67567 
1 1 1  -17    5    1 o  153.311   17.278   32.084   6.7420   24.300   10.509   37.530   8.7894  125.707   32.146  163.954   21.192 -38.24730 38.50282 
1 1 1  -17    5    2 o  220.398   9.1865   63.677   5.2446   72.330   12.616   61.869   5.7665  227.957   21.624  216.924   10.262 11.03223 23.93543 
1 1 1  -17    5    3 o  192.290   12.223   49.112   6.0567   32.040   12.065   54.864   7.0032  144.045   33.038  202.777   13.409 -58.73167 35.65501 
1 1 1  -17    5    4 o  175.891   12.851   41.245   5.8147   39.680   11.912   41.735   6.6624  163.427   29.212  176.156   14.736 -12.72948 32.71840 
1 1 1  -17    5    5 o  151.006   11.062   30.227   4.2967   28.091   5.7460   32.935   6.4713  143.893   15.670  155.653   16.292 -11.76009 22.60434 
1 1 1  -17    5    6 o  134.942   16.856   24.935   5.7633   11.290   12.012   29.015   6.5688   92.127   35.546  145.256   17.833 -53.12883 39.76830 
1 1 1  -17    5    7 o  154.047   11.831   31.582   4.6848   27.353   6.5214   36.090   6.7342  140.671   18.333  162.917   16.171 -22.24579 24.44598 
1 1 1  -17    5    8 o   36.666   16.709  -1.9291   3.5030  -1.2693   4.6391  -2.8043   5.3432   44.533   19.850   44.972   20.549 -0.4392815 28.57115 
1 1 1  -17    5    9 o  203.279   10.755   54.693   5.6431   53.642   7.9354   55.768   8.0266  199.032   15.514  203.036   15.376 -4.003876 21.84308 
1 1 1  -17    5   10 o   87.315   20.833   10.991   4.6462   10.330   6.5168   11.674   6.6259   83.883   26.667   88.534   26.684 -4.651085 37.72497 
1 1 1  -17    5   11 o   72.738   23.274   7.5225   4.9577   4.9089   5.9927   13.190   8.8247   65.567   25.157   93.062   31.132 -27.49491 40.02588 
1 1 1  -17    5   12 o   88.234   21.058   11.295   4.7459   5.5379   6.4985   17.875   6.9475   68.413   26.209  109.493   25.040 -41.07969 36.24792 
1 1 1  -17    5   13 o   87.043   22.493   11.149   5.1078   16.650   7.8232   7.0620   6.7435  103.738   28.319   73.098   26.975 30.63985 39.11070 
1 1 1  -17    5   14 o  155.874   30.748   38.100   11.974   0.0000   0.0000   38.100   11.974  ?   ?   155.874   30.748 0.000000 30.74772 
1 1 1  -17    5   15 o  118.771   19.436   20.083   5.7726   18.180   9.0387   21.394   7.5018  106.325   30.947  119.326   25.068 -13.00123 39.82579 
1 1 1  -17    5   16 o  159.159   14.545   34.547   5.9303   29.462   8.1899   40.150   8.5984  141.669   23.115  167.982   20.164 -26.31352 30.67391 
1 1 1  -17    5   17 o  107.470   21.118   16.878   5.6691   15.892   8.0475   17.850   7.9876   99.709   29.252  106.110   28.470 -6.401207 40.81928 
1 1 1  -17    5   18 o  152.989   15.900   32.395   6.2088   39.170   8.7270   25.452   8.8352  164.716   20.926  127.586   27.541 37.12999 34.58924 
1 1 1  -17    5   19 o   63.223   24.319   4.8752   5.6089  -0.6503   8.0961   9.9748   7.7778   58.171   26.055   80.954   29.103 -22.78326 39.06216 
1 1 1  -17    5   20 o   96.219   24.654   14.376   6.1724   18.407   8.2655   9.2955   9.2805  105.852   29.197   79.852   31.122 25.99989 42.67395 
1 1 1  -17    5   21 o  146.169   24.190   32.610   8.8385   41.550   12.077   22.300   12.970  158.656   30.495  107.769   37.692 50.88618 48.48327 
1 1 1  -17    5   22 o  121.426   21.742   22.171   6.5874   13.420   8.9331   32.602   9.7528   88.640   31.261  142.346   27.445 -53.70596 41.59929 
1 1 1  -17    5   23 o  168.742   26.225   45.347   11.091   51.070   17.719   41.660   14.221  154.210   42.831  147.260   37.253 6.949921 56.76509 
1 1 1  -17    5   24 o  116.920   23.017   21.325   6.7226   25.461   9.4853   17.151   9.5292  120.354   30.413   96.097   32.350 24.25664 44.40137 
1 1 1  -17    5   25 o   86.533   26.998   12.805   6.7092   26.740   9.6497  -0.2337   9.3346  122.224   30.560   59.465   27.168 62.75873 40.89025 
1 1 1  -17    5   26 o   94.381   27.607   15.652   7.1773   24.728   10.322   7.1559   9.9867  112.470   33.167   71.430   30.504 41.04008 45.06173 
1 1 1  -17    5   27 o   99.956   29.056   18.339   7.9724   22.893   9.8743   9.8120   13.512  107.381   32.622   76.843   34.086 30.53798 47.18106 
1 1 1  -17    5   28 o  124.603   27.364   27.257   8.5903   27.160   10.538   27.450   14.830  115.397   33.366  102.065   39.463 13.33177 51.67830 
1 1 1  -17    5   29 o   75.357   29.046   10.598   8.0143   14.791   10.109   3.5040   13.148   83.503   32.500   67.028   31.193 16.47462 45.04713 
1 1 1  -17    5   30 o  132.567   39.838   44.250   14.784   44.250   14.784   0.0000   0.0000  132.567   39.838  ?   ?  0.000000 39.83752 
1 1 1  -17    5   31 o   40.422   19.822  -9.0050   7.0686   3.2966   9.9035 -21.7799   10.092   61.015   27.916   40.842   20.584 20.17298 34.68438 
1 1 1  -17    5   32 o   46.579   22.776  -8.1393   9.1381   6.5620   17.147 -13.9711   10.800   67.800   32.692   46.287   23.021 21.51352 39.98392 
1 1 1  -17    5   33 o  109.795   28.770   24.759   8.2808   35.538   11.550   13.358   11.879  119.669   35.026   72.208   31.998 47.46099 47.44200 
1 1 1  -17    6    1 o  198.176   15.870   53.071   8.0781   47.430   12.127   57.570   10.831  180.675   26.718  203.491   20.842 -22.81567 33.88596 
1 1 1  -17    6    2 o  231.895   9.0601   70.505   5.4422   52.720   12.851   74.391   6.0075  190.520   26.779  237.973   9.7457 -47.45305 28.49716 
1 1 1  -17    6    3 o  149.138   11.317   29.524   4.3395   36.580   10.633   28.114   4.7533  158.078   26.934  145.028   12.784 13.05000 29.81361 
1 1 1  -17    6    4 o  103.638   18.944   15.061   4.8982   35.380   11.344   10.405   5.4305  153.517   29.601   84.656   23.782 68.86088 37.97125 
1 1 1  -17    6    5 o  211.436   12.440   59.488   6.7831   55.210   13.667   60.887   7.8133  193.636   28.066  213.041   14.241 -19.40494 31.47226 
1 1 1  -17    6    6 o   87.344   22.476   11.061   5.1148  -2.2570   11.090   14.659   5.7645   66.911   30.187  100.616   22.662 -33.70490 37.74740 
1 1 1  -17    6    7 o  123.806   13.853   20.702   4.3664   23.603   5.9915   17.416   6.3765  130.455   18.229  109.537   23.195 20.91765 29.50106 
1 1 1  -17    6    8 o   99.474   17.379   13.795   4.3151   13.457   5.8472   14.198   6.3944   95.761   23.701   97.850   25.105 -2.089066 34.52483 
1 1 1  -17    6    9 f   70.197   21.308   6.9963   4.2140   8.9040   6.0056   5.1462   5.9144   78.682   25.656   66.195   25.088 12.48653 35.88309 
1 1 1  -17    6   10 o  187.949   22.850   50.520   10.895   0.0000   0.0000   50.520   10.895  ?   ?   187.949   22.850 0.000000 22.84953 
1 1 1  -17    6   11 o  200.961   11.760   53.809   6.0949   55.364   8.7060   52.315   8.5355  200.934   16.883  195.181   17.054 5.753098 23.99756 
1 1 1  -17    6   12 o  212.854   12.558   60.640   6.8934   51.190   10.662   67.427   9.0358  189.180   22.179  222.445   15.784 -33.26523 27.22218 
1 1 1  -17    6   13 o  120.532   18.798   20.502   5.6774   3.8880   8.3175   34.996   7.7687   68.404   28.441  157.662   19.434 -89.25862 34.44643 
1 1 1  -17    6   14 o  166.008   31.199   43.510   12.923   0.0000   0.0000   43.510   12.923  ?   ?   166.008   31.199 0.000000 31.19869 
1 1 1  -17    6   15 o   60.637   22.457   4.5591   4.6820   8.9172   6.4901  -0.1705   6.7610   77.993   26.695   55.197   24.316 22.79564 36.10978 
1 1 1  -17    6   16 o  103.815   21.332   15.794   5.5447   20.424   7.9744   11.461   7.7148  114.591   27.262   86.161   29.107 28.43019 39.88022 
1 1 1  -17    6   17 o  170.087   14.415   39.511   6.2913   35.444   9.0090   43.381   8.7895  155.011   23.146  174.441   19.803 -19.43019 30.46129 
1 1 1  -17    6   18 o  254.324   11.719   86.570   7.7201   75.652   10.522   99.303   11.363  232.567   17.596  267.805   16.459 -35.23825 24.09428 
1 1 1  -17    6   19 o  167.365   15.221   38.686   6.5267   39.026   9.0588   38.319   9.4116  162.827   22.045  160.192   23.370 2.634949 32.12645 
1 1 1  -17    6   20 o   92.981   28.896   14.207   7.6943   22.560   10.113   2.7250   11.857  113.970   32.608   71.643   31.848 42.32742 45.57984 
1 1 1  -17    6   21 o   42.739   20.007  -3.9587   5.5394  -5.6734   7.3376  -1.6864   8.4470   47.677   22.537   56.812   25.912 -9.135506 34.34184 
1 1 1  -17    6   22 o  166.844   16.233   39.251   6.9266   36.442   9.5070   42.430   10.112  152.896   24.859  165.757   24.271 -12.86104 34.74257 
1 1 1  -17    6   23 o  113.897   33.395   24.111   10.491   25.100   16.658   23.460   13.506  104.439   41.393  105.611   38.297 -1.171936 56.39158 
1 1 1  -17    6   24 o  158.805   17.548   36.521   7.0978   42.070   10.122   31.153   9.9555  162.609   24.818  134.499   29.396 28.11040 38.47166 
1 1 1  -17    6   25 o  133.296   20.860   27.135   6.9664   29.310   9.9036   25.004   9.8012  128.061   30.324  115.896   31.723 12.16405 43.88511 
1 1 1  -17    6   26 o   66.152   26.288   6.4342   6.7350   6.0885   9.4560   6.7902   9.5949   68.575   29.494   69.987   29.894 -1.411842 41.99417 
1 1 1  -17    6   27 o   82.310   28.620   12.469   7.4724   7.1047   10.199   18.685   10.979   70.253   30.422   92.971   34.397 -22.71773 45.92020 
1 1 1  -17    6   28 o  100.345   27.963   18.443   7.5394   32.265   10.324   2.6474   11.036  130.163   31.054   64.006   29.353 66.15686 42.73073 
1 1 1  -17    6   29 o   63.346   27.380   5.2153   8.2311   11.507   10.158  -6.8110   14.045   76.166   31.530   58.978   28.708 17.18772 42.64101 
1 1 1  -17    6   30 o   85.827   34.027   17.688   11.260   17.688   11.260   0.0000   0.0000   85.827   34.027  ?   ?  0.000000 34.02650 
1 1 1  -17    6   31 o   84.226   30.561   15.506   8.6025   15.040   10.676   16.370   14.525   79.576   32.565   78.291   34.995 1.284531 47.80313 
1 1 1  -17    6   32 o   90.180   35.196   22.881   11.881   10.420   17.286   34.040   16.358   69.782   33.433   96.017   39.900 -26.23516 52.05574 
1 1 1  -17    7    1 o  213.344   15.543   61.461   8.5302   63.000   13.043   60.310   11.276  209.948   24.440  207.723   21.257 2.225006 32.39077 
1 1 1  -17    7    2 o  166.974   10.386   36.856   4.4699   33.180   12.236   37.422   4.8018  145.784   33.151  168.017   11.096 -22.23282 34.95887 
1 1 1  -17    7    3 o  165.554   10.740   36.291   4.5807   48.460   11.703   34.089   4.9779  183.117   25.352  159.960   12.103 23.15703 28.09346 
1 1 1  -17    7    4 o  181.766   11.189   43.807   5.2426   38.610   13.610   44.712   5.6810  156.209   34.552  183.313   12.031 -27.10365 36.58677 
1 1 1  -17    7    5 o  189.728   13.261   48.175   6.4762   44.030   13.532   49.407   7.3757  169.035   32.079  191.295   15.005 -22.26010 35.41505 
1 1 1  -17    7    6 o  200.702   13.320   53.930   6.8855   40.220   13.540   58.711   7.9967  159.733   33.781  208.607   14.897 -48.87442 36.91985 
1 1 1  -17    7    7 o  281.991   9.5770  104.605   6.9954   96.490   9.8134  112.989   9.9746  268.037   14.185  291.039   13.231 -23.00122 19.39766 
1 1 1  -17    7    8 o  214.264   11.678   61.049   6.4570   67.950   9.9689   56.061   8.4750  222.622   17.426  202.832   16.268 19.79028 23.83936 
1 1 1  -17    7    9 o  302.315   18.546  126.100   14.453   0.0000   0.0000  126.100   14.453  ?   ?   302.315   18.546 0.000000 18.54584 
1 1 1  -17    7   10 o  261.236   14.101   91.894   9.5064   0.0000   0.0000   91.894   9.5064  ?   ?   261.236   14.101 0.000000 14.10073 
1 1 1  -17    7   11 o  319.896   11.000  135.624   9.1152  133.800   15.128  136.663   11.421  310.460   18.902  319.025   13.821 -8.565460 23.41557 
1 1 1  -17    7   12 o  238.559   12.101   76.033   7.4532   79.190   12.125   74.116   9.4490  237.450   19.897  233.082   15.743 4.368225 25.37208 
1 1 1  -17    7   13 o  166.820   15.020   37.977   6.4208   43.410   10.107   34.300   8.3142  172.749   23.170  154.615   21.327 18.13425 31.49150 
1 1 1  -17    7   14 o   70.329   29.149   4.5998   8.6969   14.120   13.981  -1.4100   11.108   95.477   37.895   66.368   30.052 29.10920 48.36500 
1 1 1  -17    7   15 o  138.187   16.387   26.495   5.7514   21.998   8.2384   30.769   8.0328  119.053   27.297  145.422   22.014 -26.36948 35.06757 
1 1 1  -17    7   16 o  158.693   23.214   37.125   9.2602   0.0000   0.0000   37.125   9.2602  ?   ?   158.693   23.214 0.000000 23.21375 
1 1 1  -17    7   17 o   41.780   19.586  -4.2544   5.3403  -0.6618   7.1615  -8.7544   8.0149   55.240   24.640   47.262   22.675 7.978535 33.48626 
1 1 1  -17    7   18 o  100.517   22.531   15.205   5.7214   17.951   8.0392   12.387   8.1445  105.222   28.701   87.784   29.906 17.43878 41.44977 
1 1 1  -17    7   19 o   96.046   25.059   14.430   6.3000   19.490   9.1305   9.8328   8.7039  107.287   31.068   80.500   30.452 26.78745 43.50351 
1 1 1  -17    7   20 o  222.986   15.487   69.016   8.8896   67.370   10.735   72.610   15.859  216.316   19.363  211.172   29.823 5.144241 35.55715 
1 1 1  -17    7   21 o  159.568   16.286   35.877   6.6371   35.424   9.2076   36.368   9.5757  151.573   24.271  152.833   25.057 -1.259247 34.88420 
1 1 1  -17    7   22 o   86.977   25.861   12.341   6.2550   18.773   9.0365   6.4239   8.6668  102.699   31.209   70.787   29.198 31.91183 42.73768 
1 1 1  -17    7   23 o   94.210   33.819   16.969   10.499  -0.8247   16.074   30.210   13.866   71.375   33.622  118.664   38.997 -47.28909 51.49031 
1 1 1  -17    7   24 o  104.921   25.934   18.333   7.0081   10.252   9.9040   26.437   9.9178   78.164   31.596  120.244   31.475 -42.07996 44.59759 
1 1 1  -17    7   25 o  116.403   23.667   21.816   6.8928   21.308   9.6798   22.339   9.8174  104.810   32.384  107.332   32.510 -2.522438 45.88711 
1 1 1  -17    7   26 o  104.441   25.954   18.661   6.9907   14.473   9.5831   23.425   10.220   85.599   32.044  107.652   33.278 -22.05270 46.19749 
1 1 1  -17    7   27 o  142.348   21.253   31.806   7.5963   35.098   10.594   28.322   10.898  137.366   30.563  117.007   33.959 20.35874 45.68684 
1 1 1  -17    7   28 o  224.983   15.097   72.844   8.7472   88.661   12.531   57.813   12.216  238.659   20.469  182.781   26.580 55.87793 33.54763 
1 1 1  -17    7   29 o   69.819   28.476   8.6397   8.1290   14.600   12.652   4.4494   10.608   79.783   34.209   64.488   29.268 15.29441 45.02065 
1 1 1  -17    7   30 o   62.404   26.562   5.7608   7.5273   7.4249   10.294   3.8483   11.035   67.392   29.829   63.150   29.104 4.241528 41.67562 
1 1 1  -17    7   31 o   48.289   23.060  -3.7218   8.0795  -3.8018   9.5348  -3.5180   15.215   51.493   24.713   60.018   29.357 -8.524761 38.37367 
1 1 1  -17    7   32 o   64.911   29.910   7.3436   11.648   3.6070   18.414   9.8360   15.039   64.781   31.812   68.150   32.231 -3.369011 45.28579 
1 1 1  -17    8    1 o   52.548   16.364   3.7378   2.4662   0.2945   10.213   3.9510   2.5414   67.962   29.914   53.862   16.585 14.10059 34.20437 
1 1 1  -17    8    2 o   84.836   16.664   10.047   3.5313   4.0010   11.313   10.700   3.7171   76.674   32.598   87.494   17.014 -10.81978 36.77086 
1 1 1  -17    8    3 o  179.643   13.394   43.268   6.1878   38.070   12.350   45.011   7.1500  157.157   31.436  182.323   15.280 -25.16530 34.95283 
1 1 1  -17    8    4 o   81.483   19.371   9.4792   4.0286   3.3880   12.202   10.224   4.2680   77.449   33.407   84.523   19.835 -7.073303 38.85152 
1 1 1  -17    8    5 o  178.387   15.038   43.087   6.8839   47.170   14.479   41.894   7.8248  173.202   33.484  174.539   17.545 -1.337051 37.80233 
1 1 1  -17    8    6 o  135.803   16.931   25.410   5.8265   15.030   13.501   27.786   6.4588   99.530   37.861  141.545   18.025 -42.01482 41.93278 
1 1 1  -17    8    7 o   99.226   23.312   14.473   5.8900   0.0000   0.0000   14.473   5.8900  ?   ?    99.226   23.312 0.000000 23.31178 
1 1 1  -17    8    8 o  230.658   11.621   70.787   6.9212   62.283   8.5707   86.730   11.734  214.071   15.563  250.693   18.194 -36.62242 23.94244 
1 1 1  -17    8    9 o  224.159   14.940   68.091   8.6251   0.0000   0.0000   68.091   8.6251  ?   ?   224.159   14.940 0.000000 14.94013 
1 1 1  -17    8   10 o  288.143   10.906  110.030   8.1402   96.140   12.860  119.316   10.515  262.783   19.021  298.172   13.614 -35.38892 23.39118 
1 1 1  -17    8   11 o  162.611   14.682   35.982   6.1175   45.050   9.3542   29.206   8.0866  178.124   20.657  141.693   22.806 36.43124 30.77104 
1 1 1  -17    8   12 f  181.714   13.649   44.641   6.3776   26.920   9.7449   57.918   8.4348  130.976   29.440  205.566   15.966 -74.58986 33.49037 
1 1 1  -17    8   13 o  104.471   19.907   15.728   5.1903   8.2231   7.3224   23.307   7.3581   76.625   28.135  125.475   23.503 -48.84968 36.66009 
1 1 1  -17    8   14 o  155.412   24.544   35.969   9.5525   27.230   15.115   41.780   12.326  120.534   40.742  162.348   30.429 -41.81393 50.85102 
1 1 1  -17    8   15 o  172.912   13.931   40.681   6.1865   46.550   9.0141   35.455   8.5060  181.004   19.536  156.270   21.590 24.73410 29.11660 
1 1 1  -17    8   16 o  175.373   14.391   42.052   6.4800   48.625   9.2973   35.843   9.0363  184.536   19.757  155.613   23.121 28.92267 30.41260 
1 1 1  -17    8   17 o  140.683   17.542   27.932   6.2537   32.395   8.7653   23.306   8.9250  146.876   23.858  120.103   29.013 26.77303 37.56287 
1 1 1  -17    8   18 o  176.304   14.765   42.819   6.6807   36.846   9.6075   48.411   9.2962  155.605   24.658  183.235   19.906 -27.63068 31.69051 
1 1 1  -17    8   19 o  157.409   20.594   36.259   8.1955   54.060   11.254   16.160   11.958  189.534   23.422   94.997   35.749 94.53754 42.73830 
1 1 1  -17    8   20 o  192.972   14.377   51.406   7.1348   52.084   10.139   50.741   10.042  187.689   21.228  185.129   21.331 2.559998 30.09392 
1 1 1  -17    8   21 o  155.083   17.379   34.409   6.8612   28.015   9.5901   41.113   9.8204  128.982   29.363  163.212   23.941 -34.22990 37.88572 
1 1 1  -17    8   22 o  110.786   22.986   19.147   6.3800   18.658   8.8556   19.674   9.1996  102.011   30.872  104.227   31.448 -2.215881 44.06883 
1 1 1  -17    8   23 o  162.783   28.308   44.562   11.503   37.750   17.355   49.900   15.362  122.668   43.539  157.473   38.079 -34.80563 57.84121 
1 1 1  -17    8   24 o  158.630   18.107   37.002   7.3067   35.688   10.257   38.356   10.411  144.072   28.493  150.476   27.733 -6.403488 39.76157 
1 1 1  -17    8   25 o  147.420   20.636   33.373   7.6643   37.992   10.922   28.892   10.758  145.663   29.947  121.380   33.240 24.28282 44.74051 
1 1 1  -17    8   26 o  108.458   25.900   20.208   7.1760   26.678   9.9359   13.154   10.375  117.084   31.896   81.309   32.524 35.77435 45.55358 
1 1 1  -17    8   27 o  155.827   19.569   37.291   7.7246   39.530   10.683   34.839   11.182  147.866   28.928  132.478   32.768 15.38831 43.71035 
1 1 1  -17    8   28 o   64.352   26.640   6.2814   7.2526  -4.6127   10.415   16.538   10.106   54.208   25.966   86.647   32.804 -32.43904 41.83710 
1 1 1  -17    8   29 o   77.748   31.344   12.880   9.7184   7.2720   12.678   20.870   15.133   69.036   31.586   85.683   37.080 -16.64632 48.70954 
1 1 1  -17    8   30 o   82.590   28.652   13.971   7.4868   5.7865   10.430   22.671   10.754   64.429   29.152   96.007   34.252 -31.57719 44.97793 
1 1 1  -17    8   31 o   85.460   31.320   17.159   9.0676   22.407   11.008   6.0850   15.991   92.022   34.364   66.355   31.888 25.66675 46.87986 
1 1 1  -17    8   32 o   96.834   28.511   19.800   7.6326   19.768   10.059   19.842   11.718   86.366   32.722   82.035   33.904 4.331009 47.11875 
1 1 1  -17    9    1 f  209.087   9.4496   57.505   5.1179   40.880   13.859   60.131   5.5071  159.882   34.478  213.627   9.9522 -53.74484 35.88540 
1 1 1  -17    9    2 o  202.220   9.9402   53.884   5.2068   70.570   14.342   51.351   5.5880  220.072   25.640  196.742   11.009 23.32999 27.90345 
1 1 1  -17    9    3 o   88.674   17.913   11.095   3.9728   5.4220   11.657   11.840   4.2258   79.291   33.367   91.464   18.473 -12.17222 38.13939 
1 1 1  -17    9    4 o   95.799   17.402   12.859   4.1593   3.7360   12.216   14.055   4.4236   77.564   33.441  100.137   17.702 -22.57242 37.83724 
1 1 1  -17    9    5 o   62.754   28.637  -3.2180   10.334   0.0000   0.0000  -3.2180   10.334  ?   ?    62.754   28.637 0.000000 28.63710 
1 1 1  -17    9    6 o  142.755   18.016   28.339   6.5136   0.0000   0.0000   28.339   6.5136  ?   ?   142.755   18.016 0.000000 18.01626 
1 1 1  -17    9    7 o  244.651   10.793   79.238   6.8400   65.030   16.839   82.045   7.4854  202.714   33.220  248.515   11.628 -45.80167 35.19678 
1 1 1  -17    9    8 o  253.945   12.961   86.455   8.4974   62.380   17.603   93.770   9.7027  194.780   36.223  263.560   14.265 -68.77991 38.93055 
1 1 1  -17    9    9 o  192.473   14.426   50.218   7.1401   30.180   16.164   55.075   7.9586  127.743   42.111  200.995   15.404 -73.25205 44.83989 
1 1 1  -17    9   10 o  111.019   18.216   17.398   5.0566   16.020   7.6942   18.445   6.7088  101.316   28.254  111.276   23.982 -9.959312 37.05965 
1 1 1  -17    9   11 o  177.693   13.372   42.652   6.1096   56.080   9.9755   34.592   7.7288  199.440   19.561  156.341   19.509 43.09955 27.62725 
1 1 1  -17    9   12 o   98.720   20.269   14.146   5.0095   17.934   7.1947   10.581   6.9792  108.124   26.007   83.458   27.679 24.66547 37.97961 
1 1 1  -17    9   13 o  245.139   11.377   80.099   7.2241   75.172   10.215   85.029   10.218  232.909   17.050  248.781   15.940 -15.87161 23.34069 
1 1 1  -17    9   14 o  106.369   25.356   17.382   6.8874   12.640   14.734   18.708   7.7910   92.103   38.037  108.963   27.579 -16.85976 46.98338 
1 1 1  -17    9   15 o   86.559   23.248   11.359   5.3231   17.535   7.6733   5.6305   7.3906  104.975   27.785   69.100   27.513 35.87450 39.10195 
1 1 1  -17    9   16 o  208.066   12.836   58.596   6.8841   52.150   9.6612   65.243   9.8116  190.667   19.853  215.481   17.736 -24.81462 26.62138 
1 1 1  -17    9   17 o   46.772   21.034  -1.2623   5.3337   0.5513   7.3836  -3.2414   7.7132   57.703   25.416   52.635   24.284 5.067711 35.15245 
1 1 1  -17    9   18 o   85.277   28.527   11.778   7.4095   13.750   9.7918   9.1350   11.334   90.037   32.615   80.822   33.368 9.214569 46.65986 
1 1 1  -17    9   19 o  140.324   18.950   28.527   6.7118   28.511   9.4378   28.543   9.5471  132.025   28.437  131.752   28.780 0.2730408 40.45936 
1 1 1  -17    9   20 o   75.471   26.156   8.9464   6.2389   5.7010   8.8690   12.126   8.7780   69.898   29.241   84.649   30.847 -14.75167 42.50359 
1 1 1  -17    9   21 o  167.655   24.663   44.142   10.391   0.0000   0.0000   44.142   10.391  ?   ?   167.655   24.663 0.000000 24.66305 
1 1 1  -17    9   22 o  124.303   22.449   23.971   6.9623   26.897   9.5543   20.658   10.167  123.679   30.106  103.736   33.343 19.94252 44.92372 
1 1 1  -17    9   23 o   84.542   30.244   12.985   8.3896   22.500   16.016   9.3863   9.8490   96.819   39.784   75.963   31.205 20.85551 50.56199 
1 1 1  -17    9   24 o   66.610   26.156   6.6614   6.5941  -0.2725   9.0198   14.622   9.6644   57.856   26.534   86.520   32.220 -28.66372 41.73952 
1 1 1  -17    9   25 o   84.145   27.706   12.813   6.9977   10.117   9.6743   15.771   10.134   75.497   30.960   87.547   32.917 -12.05045 45.18884 
1 1 1  -17    9   26 o   49.534   22.730  -1.0523   6.6319   0.8141   9.3385  -2.9514   9.4200   58.862   26.996   54.398   25.660 4.464642 37.24531 
1 1 1  -17    9   27 o   81.705   27.908   12.599   7.0927   3.6727   9.8776   22.101   10.191   63.065   28.467  100.705   33.449 -37.63989 43.92270 
1 1 1  -17    9   28 o   78.582   29.524   12.399   8.1497   23.980   13.108   5.1000   10.405   94.890   36.986   64.883   29.259 30.00674 47.15980 
1 1 1  -17    9   29 o   82.374   28.997   13.901   7.6823   13.598   10.568   14.240   11.188   77.504   32.127   78.150   32.777 -0.6454468 45.89655 
1 1 1  -17    9   30 o  154.079   21.385   39.190   8.3050   46.664   11.783   31.809   11.708  151.595   31.050  112.897   35.728 38.69769 47.33501 
1 1 1  -17    9   31 o   96.742   31.820   22.081   9.2311   28.208   11.070   8.0980   16.724  103.923   34.869   66.853   32.248 37.07050 47.49474 
1 1 1  -17   10    1 o  144.536   11.592   27.897   4.3035   10.250   13.383   29.932   4.5449   89.844   36.579  149.658   11.820 -59.81364 38.44111 
1 1 1  -17   10    2 o   88.846   17.056   11.087   3.7824  -1.8600   12.032   12.507   3.9844   68.998   31.257   94.563   16.886 -25.56557 35.52620 
1 1 1  -17   10    3 o  176.474   12.271   41.665   5.5743   0.0000   0.0000   41.665   5.5743  ?   ?   176.474   12.271 0.000000 12.27075 
1 1 1  -17   10    4 o  227.102   20.605   72.660   11.989   0.0000   0.0000   72.660   11.989  ?   ?   227.102   20.605 0.000000 20.60492 
1 1 1  -17   10    5 o   88.857   22.896   11.668   5.3026   13.860   13.096   11.238   5.7992   95.748   37.067   86.718   24.652 9.030350 44.51576 
1 1 1  -17   10    6 o  216.424   11.299   62.351   6.3125   34.440   15.225   68.146   6.9368  139.105   40.071  225.955   11.894 -86.84995 41.79874 
1 1 1  -17   10    7 o  137.433   15.651   25.947   5.4723   30.520   14.959   25.241   5.8798  130.116   40.266  134.726   17.244 -4.610138 43.80331 
1 1 1  -17   10    8 o  179.849   12.976   43.548   6.0044   28.930   15.935   45.966   6.4822  124.700   41.834  184.421   13.667 -59.72063 44.00986 
1 1 1  -17   10    9 o  135.864   17.470   25.776   6.0058   0.0000   0.0000   25.776   6.0058  ?   ?   135.864   17.470 0.000000 17.47027 
1 1 1  -17   10   10 o  126.611   21.505   23.281   6.8005   0.0000   0.0000   23.281   6.8005  ?   ?   126.611   21.505 0.000000 21.50501 
1 1 1  -17   10   11 o   51.992   20.902   2.3510   4.3088   4.2349   6.0415   0.4009   6.1468   62.884   24.926   53.949   23.489 8.934948 34.25020 
1 1 1  -17   10   12 o  132.421   15.772   24.282   5.3037   23.759   7.7010   24.754   7.3149  125.553   24.559  129.568   22.618 -4.015205 33.38762 
1 1 1  -17   10   13 o  195.438   15.494   52.555   7.7795   59.189   9.4312   38.430   13.761  205.503   17.896  148.599   36.106 56.90408 40.29799 
1 1 1  -17   10   14 o  114.049   19.294   18.750   5.4965   17.486   7.9002   19.935   7.6521  104.242   28.459  112.819   26.615 -8.577560 38.96554 
1 1 1  -17   10   15 o  116.594   19.385   19.657   5.6490   20.379   8.1820   19.000   7.8088  112.601   28.133  109.002   27.622 3.598869 39.42656 
1 1 1  -17   10   16 o  127.786   18.163   23.336   5.8428   19.359   8.2780   27.285   8.2479  108.637   28.909  133.341   24.792 -24.70394 38.08395 
1 1 1  -17   10   17 o  242.452   13.367   80.151   8.3623   79.540   13.194   80.562   10.811  231.601   22.268  238.759   17.604 -7.157776 28.38632 
1 1 1  -17   10   18 o  123.428   21.392   22.779   6.5915   24.111   8.2764   20.470   10.900  122.516   26.823  105.272   34.574 17.24427 43.75916 
1 1 1  -17   10   19 o   81.069   24.816   10.470   5.6995   0.9472   7.7613   21.616   8.3969   58.567   25.914  113.574   28.569 -55.00659 38.57035 
1 1 1  -17   10   20 o  161.986   16.309   37.254   6.7499   30.477   9.4651   44.267   9.6287  135.685   27.863  170.544   22.333 -34.85841 35.70864 
1 1 1  -17   10   21 o  205.494   14.306   58.881   7.5676   52.877   10.738   64.806   10.667  184.940   22.904  208.849   19.962 -23.90836 30.38189 
1 1 1  -17   10   22 o  213.121   16.650   65.263   9.1186   69.869   11.170   56.060   15.789  215.628   20.235  167.636   37.320 47.99150 42.45239 
1 1 1  -17   10   23 o  170.148   16.894   42.068   7.3474   36.028   10.552   47.754   10.237  142.715   29.517  173.277   23.407 -30.56161 37.67184 
1 1 1  -17   10   24 o  147.050   29.474   38.728   10.836   0.0000   0.0000   38.728   10.836  ?   ?   147.050   29.474 0.000000 29.47423 
1 1 1  -17   10   25 o   56.452   24.700   2.4654   6.8721   5.6187   9.5812  -0.8756   9.8621   66.500   29.129   57.831   26.947 8.668846 39.68215 
1 1 1  -17   10   26 o   53.352   23.806   1.2810   6.6901   5.8426   9.4745  -3.2551   9.4480   66.008   28.939   53.701   25.441 12.30780 38.53204 
1 1 1  -17   10   27 f   77.416   27.813   11.425   7.1025   4.6347   10.127   17.998   9.9641   64.092   28.887   89.664   32.836 -25.57185 43.73408 
1 1 1  -17   10   28 o   97.005   33.182   21.575   10.027   22.480   13.959   20.610   14.413   88.829   36.882   85.267   36.535 3.561989 51.91397 
1 1 1  -17   10   29 o   73.039   27.915   10.687   7.3615   14.834   10.437   6.5827   10.384   78.810   32.219   65.062   29.295 13.74774 43.54643 
1 1 1  -17   10   30 o   67.081   27.234   8.8073   7.3931   13.010   10.586   4.8066   10.329   73.538   31.405   61.400   28.246 12.13705 42.23877 
1 1 1  -17   10   31 o   61.219   29.019   4.7144   12.327  -9.5970   18.653   15.810   16.424   57.394   28.799   71.261   33.696 -13.86666 44.32611 
1 1 1  -17   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   11    2 o  171.714   34.770   48.200   14.935   48.200   14.935   0.0000   0.0000  171.714   34.770  ?   ?  0.000000 34.77030 
1 1 1  -17   11    3 o  210.704   10.599   58.942   5.7663   76.000   15.831   56.333   6.1916  224.410   27.832  205.436   11.684 18.97420 30.18446 
1 1 1  -17   11    4 o  108.025   30.864   18.707   9.0668   22.780   14.415   16.040   11.663  113.292   39.730   99.268   35.643 14.02384 53.37537 
1 1 1  -17   11    5 o  104.688   17.903   15.472   4.6803   12.890   13.391   15.832   4.9954   93.278   37.067  105.404   18.995 -12.12648 41.65046 
1 1 1  -17   11    6 o  172.824   12.594   40.165   5.5992   71.580   14.255   34.434   6.0886  219.615   25.534  158.737   14.985 60.87788 29.60655 
1 1 1  -17   11    7 o  201.339   12.110   54.331   6.2866   42.140   16.424   56.424   6.8048  152.032   40.837  204.735   12.897 -52.70285 42.82548 
1 1 1  -17   11    8 o   85.933   22.705   11.021   5.1298   0.0000   0.0000   11.021   5.1298  ?   ?    85.933   22.705 0.000000 22.70517 
1 1 1  -17   11    9 o  154.845   15.533   33.004   6.1464   0.0000   0.0000   33.004   6.1464  ?   ?   154.845   15.533 0.000000 15.53339 
1 1 1  -17   11   10 o  268.804   12.998   97.219   9.0503   48.930   19.180  111.052   10.265  156.867   44.914  286.585   13.828 -129.7182 46.99408 
1 1 1  -17   11   11 o  140.896   15.976   27.540   5.7275   13.870   15.761   29.620   6.1478   94.447   39.200  145.816   16.571 -51.36900 42.55854 
1 1 1  -17   11   12 o  152.214   18.495   32.851   7.1423   46.610   16.096   29.477   7.9699  159.857   39.177  141.258   22.539 18.59933 45.19791 
1 1 1  -17   11   13 o  137.443   29.541   30.479   10.204   25.940   15.553   33.910   13.521  114.501   41.156  136.777   37.186 -22.27616 55.46684 
1 1 1  -17   11   14 o  183.640   13.347   45.916   6.3054   45.179   8.9775   46.634   8.8580  177.039   19.923  180.489   19.243 -3.450455 27.69887 
1 1 1  -17   11   15 o  232.949   17.294   76.317   10.361   0.0000   0.0000   76.317   10.361  ?   ?   232.949   17.294 0.000000 17.29379 
1 1 1  -17   11   16 o  220.113   13.804   66.371   7.8308   78.930   12.527   58.314   10.033  232.018   21.073  200.916   19.524 31.10225 28.72748 
1 1 1  -17   11   17 o  137.816   18.982   27.578   6.5964   27.639   8.4075   27.480   10.639  132.639   25.396  124.870   32.557 7.769661 41.29013 
1 1 1  -17   11   18 o  109.379   22.652   18.421   6.2066   18.632   8.8532   18.216   8.7035  102.960   30.802  102.020   30.545 0.9402313 43.37960 
1 1 1  -17   11   19 o  133.630   20.084   26.577   6.7369   20.567   9.5303   32.580   9.5245  106.194   32.001  141.270   27.013 -35.07590 41.87792 
1 1 1  -17   11   20 o  121.021   21.052   22.303   6.3598   19.360   8.6472   25.770   9.3865  103.859   30.281  120.990   30.079 -17.13110 42.68109 
1 1 1  -17   11   21 o  148.575   18.042   32.399   6.8012   33.950   9.6778   30.885   9.5600  142.250   27.257  134.139   28.399 8.110825 39.36281 
1 1 1  -17   11   22 o  108.787   34.443   24.260   10.880   21.620   16.845   26.150   14.251   93.121   39.688  104.220   39.064 -11.09892 55.68784 
1 1 1  -17   11   23 o  167.936   17.225   41.422   7.3871   29.313   10.383   53.834   10.512  123.259   32.175  184.410   22.471 -61.15088 39.24547 
1 1 1  -17   11   24 o  117.563   24.504   23.139   7.2202   21.589   10.030   24.806   10.401  101.459   33.159  108.969   33.553 -7.510239 47.17370 
1 1 1  -17   11   25 o   63.148   26.097   5.7796   6.9427   8.4668   9.8401   3.1160   9.7969   70.785   30.255   62.275   28.209 8.510174 41.36539 
1 1 1  -17   11   26 o   90.568   27.947   15.654   7.2118   5.6639   10.353   25.072   10.052   65.848   29.481  108.235   32.921 -42.38734 44.19186 
1 1 1  -17   11   27 f   84.338   31.458   15.671   9.2199   18.630   12.652   12.320   13.463   84.735   35.142   74.886   33.567 9.848869 48.59675 
1 1 1  -17   11   28 o   74.798   27.920   11.217   7.2649   9.4090   10.409   12.934   10.144   69.510   30.407   75.728   31.441 -6.217651 43.73963 
1 1 1  -17   11   29 o   86.146   29.283   16.043   7.8086   18.767   10.743   12.993   11.369   84.665   33.341   73.348   31.940 11.31688 46.17163 
1 1 1  -17   11   30 o   91.161   29.495   18.481   7.9457   32.854   11.286   4.3561   11.188  113.302   34.961   60.508   28.360 52.79395 45.01716 
1 1 1  -17   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   12    1 o  166.890   11.529   37.255   4.9534   31.470   14.814   37.983   5.2560  131.452   39.961  168.232   12.143 -36.78001 41.76543 
1 1 1  -17   12    2 o  114.319   14.520   17.930   4.2027   43.710   13.074   14.959   4.4383  165.419   31.665  103.112   17.225 62.30704 36.04692 
1 1 1  -17   12    3 o   96.307   30.225   14.795   8.3951   9.0410   12.622   19.360   11.242   85.138   35.187  106.809   35.115 -21.67058 49.71099 
1 1 1  -17   12    4 o  287.731   11.895  110.542   8.8654   87.790   18.162  117.659   10.158  236.887   30.293  295.775   13.258 -58.88809 33.06697 
1 1 1  -17   12    5 o  121.704   16.411   20.620   5.0417   8.9420   14.524   22.220   5.3760   86.946   36.950  126.164   16.873 -39.21748 40.61974 
1 1 1  -17   12    6 o  120.340   16.370   20.176   4.9702   7.0420   13.042   22.408   5.3759   81.966   34.927  126.687   16.796 -44.72018 38.75619 
1 1 1  -17   12    7 o  119.531   18.535   20.308   5.5530   0.0000   0.0000   20.308   5.5530  ?   ?   119.531   18.535 0.000000 18.53483 
1 1 1  -17   12    8 o  132.675   17.037   24.650   5.7198   0.0000   0.0000   24.650   5.7198  ?   ?   132.675   17.037 0.000000 17.03685 
1 1 1  -17   12    9 o  138.493   19.639   27.502   6.8478   0.0000   0.0000   27.502   6.8478  ?   ?   138.493   19.639 0.000000 19.63877 
1 1 1  -17   12   10 o   64.563   22.675   5.7681   4.6960 -21.4000   13.383   9.5831   5.0149   53.789   26.550   79.690   23.010 -25.90110 35.13335 
1 1 1  -17   12   11 o  223.847   11.713   67.305   6.7677   33.050   15.786   75.018   7.4910  129.039   41.556  235.926   12.300 -106.8868 43.33847 
1 1 1  -17   12   12 o  181.229   16.892   45.995   7.8383   46.900   15.108   45.662   9.1689  162.177   36.806  177.715   20.281 -15.53767 42.02383 
1 1 1  -17   12   13 o  166.698   16.907   39.058   7.1993   25.970   15.386   42.726   8.1460  113.155   40.900  173.155   18.446 -60.00060 44.86678 
1 1 1  -17   12   14 o   53.553   21.613   2.7170   4.6260   5.3776   6.6289   0.1914   6.4587   66.083   26.137   53.759   23.720 12.32454 35.29545 
1 1 1  -17   12   15 o   56.619   23.038   3.1163   5.3051   12.240   8.6024  -2.4832   6.7392   85.779   30.631   49.894   22.902 35.88490 38.24610 
1 1 1  -17   12   16 o  124.974   20.049   23.062   6.2709   21.176   7.9339   26.200   10.237  113.825   27.268  122.088   31.986 -8.263115 42.03088 
1 1 1  -17   12   17 o  104.398   22.752   16.889   5.9788   12.764   8.5550   20.829   8.3591   86.074   30.567  110.793   28.845 -24.71873 42.02808 
1 1 1  -17   12   18 f   83.070   24.629   11.166   5.6790   16.274   8.2683   6.6053   7.8136   95.919   29.978   69.511   28.076 26.40801 41.07253 
1 1 1  -17   12   19 o   82.532   25.220   11.243   5.8892   11.626   8.5739   10.901   8.1033   81.574   30.354   79.776   29.544 1.797371 42.35800 
1 1 1  -17   12   20 f  159.677   17.459   37.151   7.1037   36.927   10.041   37.375   10.052  148.521   27.098  149.656   26.919 -1.135132 38.19579 
1 1 1  -17   12   21 o  196.917   15.411   55.305   7.7983   61.408   11.193   49.547   10.871  198.309   22.168  174.590   24.730 23.71893 33.21187 
1 1 1  -17   12   22 o  182.773   19.870   50.909   9.2555   52.060   17.990   50.495   10.794  140.396   44.273  175.808   24.356 -35.41238 50.52995 
1 1 1  -17   12   23 o  207.679   15.366   62.101   8.2075   59.208   12.082   64.579   11.184  187.446   25.549  202.199   21.692 -14.75343 33.51608 
1 1 1  -17   12   24 o  155.290   19.532   37.216   7.6828   37.034   11.046   37.387   10.692  138.077   31.572  141.036   30.180 -2.959213 43.67660 
1 1 1  -17   12   25 o   81.460   27.852   12.734   7.0648   14.632   10.008   10.849   9.9746   81.804   32.191   74.172   31.018 7.632622 44.70284 
1 1 1  -17   12   26 o   75.676   29.129   11.510   8.0517   22.090   13.583   5.7777   9.9976   89.067   36.623   64.822   29.000 24.24507 46.71443 
1 1 1  -17   12   27 o   76.439   29.607   12.381   8.3585   14.251   10.729   9.4930   13.331   77.743   32.311   70.150   32.204 7.593170 45.61899 
1 1 1  -17   12   28 o   85.729   28.748   15.535   7.5249   5.3167   10.922   24.768   10.382   62.902   28.977  100.321   33.767 -37.41907 44.49547 
1 1 1  -17   12   29 o   54.980   24.667   3.1776   7.2881  -5.2323   10.349   11.453   10.266   50.557   24.616   70.039   30.425 -19.48141 39.13578 
1 1 1  -17   12   30 o   77.791   28.671   14.063   7.6140   12.352   10.412   16.029   11.163   69.526   30.413   74.569   32.057 -5.042801 44.18853 
1 1 1  -17   13    1 o  103.052   16.500   14.899   4.2559   16.390   12.537   14.705   4.5246   98.526   36.696  101.744   17.817 -3.217628 40.79315 
1 1 1  -17   13    2 o   92.204   32.055   13.698   9.3735   18.500   13.326   8.9960   13.187  102.749   37.920   85.001   35.615 17.74815 52.02219 
1 1 1  -17   13    3 o  159.268   12.781   34.289   5.2283   30.810   14.263   34.829   5.6195  129.221   39.195  160.039   13.687 -30.81837 41.51651 
1 1 1  -17   13    4 o  100.196   18.025   14.320   4.5061   27.710   12.955   12.477   4.8062  124.163   37.287   92.135   20.650 32.02824 42.62277 
1 1 1  -17   13    5 o   56.444   21.116   3.8463   4.1603  -1.5650   14.017   4.3690   4.3567   71.878   33.006   58.851   21.688 13.02690 39.49378 
1 1 1  -17   13    6 o  205.870   17.528   59.278   9.2583   0.0000   0.0000   59.278   9.2583  ?   ?   205.870   17.528 0.000000 17.52843 
1 1 1  -17   13    7 o  250.913   14.500   85.984   9.3843   0.0000   0.0000   85.984   9.3843  ?   ?   250.913   14.500 0.000000 14.50049 
1 1 1  -17   13    8 o  107.162   20.082   16.755   5.3697   0.0000   0.0000   16.755   5.3697  ?   ?   107.162   20.082 0.000000 20.08233 
1 1 1  -17   13    9 o   53.653   21.569   2.6944   4.5879 -17.3600   13.647   5.2499   4.8714   56.789   27.783   62.801   22.965 -6.011749 36.04557 
1 1 1  -17   13   10 o   38.040   17.884  -3.8826   4.5078   1.6970   13.071  -4.6358   4.8025   72.811   32.818   38.365   18.165 34.44555 37.50953 
1 1 1  -17   13   11 o   80.350   23.321   9.9033   5.1396   0.1496   13.698   11.501   5.5447   71.777   32.837   86.166   23.969 -14.38906 40.65438 
1 1 1  -17   13   12 o  125.618   31.006   26.691   10.028   19.420   15.274   32.200   13.295  100.115   39.649  130.724   37.382 -30.60985 54.49312 
1 1 1  -17   13   13 o  163.092   14.853   36.895   6.2059   7.2090   16.456   41.817   6.7007   82.613   37.064  173.541   15.055 -90.92748 40.00538 
1 1 1  -17   13   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   13   15 o  219.945   18.159   69.489   10.253   55.470   17.023   77.470   12.844  167.498   39.820  227.072   22.117 -59.57375 45.54985 
1 1 1  -17   13   16 o  134.581   17.937   26.251   6.0973   20.648   8.7025   31.653   8.5454  108.817   29.936  142.390   24.024 -33.57264 38.38394 
1 1 1  -17   13   17 o  154.319   15.258   33.586   6.0191   29.782   8.4393   37.524   8.5873  136.786   24.729  157.061   21.686 -20.27470 32.89062 
1 1 1  -17   13   18 o   94.358   24.610   14.589   6.0776   8.5273   8.7259   20.301   8.4699   73.901   29.733  106.740   29.600 -32.83938 41.95483 
1 1 1  -17   13   19 o   63.667   25.111   5.6685   6.1030   7.2833   9.0112   4.3001   8.2950   70.829   29.539   64.084   27.593 6.745689 40.42194 
1 1 1  -17   13   20 o  155.096   17.745   35.478   7.0008   47.266   10.443   25.855   9.4351  170.827   24.283  118.108   30.595 52.71868 39.06020 
1 1 1  -17   13   21 o  118.181   28.646   25.180   8.6778   18.420   10.542   39.390   15.284   92.890   33.811  125.644   40.926 -32.75380 53.08577 
1 1 1  -17   13   22 o  105.805   25.794   19.461   7.0052   13.097   10.514   24.542   9.3939   80.100   32.493  111.877   31.226 -31.77702 45.06486 
1 1 1  -17   13   23 o   69.229   26.487   8.2946   6.6318   13.845   9.6047   3.2375   9.1680   81.352   31.674   61.313   27.574 20.03868 41.99474 
1 1 1  -17   13   24 o  101.954   27.266   19.264   7.3407   17.466   10.293   21.126   10.472   87.435   33.106   95.739   33.838 -8.303734 47.33930 
1 1 1  -17   13   25 o  141.879   22.134   33.152   7.8688   24.937   11.486   40.419   10.802  100.086   35.431  145.040   29.750 -44.95319 46.26480 
1 1 1  -17   13   26 o   71.420   28.449   10.157   7.9055   7.4902   10.084   14.410   12.735   66.416   29.454   76.342   33.509 -9.925568 44.61368 
1 1 1  -17   13   27 o   74.413   27.678   11.383   7.1271   10.333   10.326   12.338   9.8495   69.734   30.401   73.454   30.778 -3.719971 43.26110 
1 1 1  -17   13   28 o   65.878   27.074   8.5996   7.4179   3.9146   10.606   13.086   10.378   59.822   27.898   72.782   31.089 -12.96026 41.77160 
1 1 1  -17   13   29 o   86.819   29.442   17.479   7.8934   16.310   11.199   18.633   11.127   75.200   32.213   79.355   32.937 -4.154732 46.07070 
1 1 1  -17   14    1 o  118.394   18.433   20.009   5.4690   17.050   13.952   20.546   5.9447   98.618   38.236  119.076   19.981 -20.45821 43.14232 
1 1 1  -17   14    2 o  144.194   13.656   28.384   5.0397   7.0160   14.110   31.509   5.3956   82.186   35.686  151.859   13.870 -69.67296 38.28627 
1 1 1  -17   14    3 o   71.789   21.362   7.6267   4.2665  -2.2610   12.794   8.8639   4.5256   68.089   31.365   76.998   21.738 -8.909294 38.16143 
1 1 1  -17   14    4 o  113.267   16.769   18.087   4.7713   5.2520   13.567   19.899   5.0969   78.756   34.576  118.729   17.063 -39.97336 38.55743 
1 1 1  -17   14    5 o   81.879   21.366   10.039   4.5796 -17.1800   13.926   13.340   4.8494   57.609   28.159   95.158   20.293 -37.54850 34.70954 
1 1 1  -17   14    6 o  116.370   18.891   19.510   5.4992   0.0000   0.0000   19.510   5.4992  ?   ?   116.370   18.891 0.000000 18.89136 
1 1 1  -17   14    7 o   93.960   21.619   13.253   5.1523   0.0000   0.0000   13.253   5.1523  ?   ?    93.960   21.619 0.000000 21.61883 
1 1 1  -17   14    8 o   62.468   22.250   5.3761   4.5360   1.9640   14.302   5.7577   4.7829   74.897   33.988   64.245   22.851 10.65110 40.95596 
1 1 1  -17   14    9 o   43.330   19.474  -1.1781   4.5637   11.220   13.304  -2.8314   4.8585   86.126   35.903   41.529   19.200 44.59715 40.71465 
1 1 1  -17   14   10 o  109.002   19.704   17.445   5.3585   13.200   14.181   18.152   5.7876   89.362   37.145  110.382   21.009 -21.01993 42.67432 
1 1 1  -17   14   11 o  154.330   19.200   34.524   7.5096   44.050   15.702   31.699   8.5510  149.749   39.799  143.952   23.761 5.796432 46.35234 
1 1 1  -17   14   12 o  150.473   20.977   33.606   7.9539   0.0000   0.0000   33.606   7.9539  ?   ?   150.473   20.977 0.000000 20.97736 
1 1 1  -17   14   13 o   59.985   25.293   3.0926   6.7198   0.0000   0.0000   3.0926   6.7198  ?   ?    59.985   25.293 0.000000 25.29318 
1 1 1  -17   14   14 o  134.209   18.366   26.218   6.2174   17.970   15.841   27.720   6.7598   93.921   39.167  137.043   19.601 -43.12148 43.79781 
1 1 1  -17   14   15 o  114.018   21.902   19.989   6.2335   22.620   16.052   19.522   6.7644   99.908   40.280  110.655   24.268 -10.74767 47.02587 
1 1 1  -17   14   16 o   91.264   27.519   14.318   7.0459   21.070   15.169   12.460   7.9564   96.801   39.111   84.148   29.517 12.65317 48.99943 
1 1 1  -17   14   17 o  100.630   23.148   16.213   5.9083   7.9026   7.9203   26.639   8.8715   71.510   28.479  124.400   28.184 -52.89017 40.06718 
1 1 1  -17   14   18 o  137.284   18.132   27.908   6.2901   23.909   8.9269   31.852   8.8644  114.840   29.765  138.801   25.598 -23.96091 39.25813 
1 1 1  -17   14   19 o  173.290   16.188   43.462   7.1824   45.159   10.062   41.698   10.256  167.000   23.945  157.727   26.009 9.273010 35.35297 
1 1 1  -17   14   20 o   82.225   26.142   11.961   6.2625   9.2843   8.7639   14.754   8.9522   73.020   29.650   86.002   31.180 -12.98219 43.02689 
1 1 1  -17   14   21 o   91.420   34.727   19.246   11.349   14.830   17.567   22.410   14.868   80.410   36.933   91.534   38.039 -11.12413 53.01879 
1 1 1  -17   14   22 o   50.448   22.816   0.2576   6.3801   4.4213   8.9512  -4.0422   9.0962   62.626   27.763   51.734   24.639 10.89151 37.11991 
1 1 1  -17   14   23 o   92.293   27.322   16.106   6.9929   12.491   10.122   19.407   9.6724   76.715   31.587   93.302   32.555 -16.58720 45.36066 
1 1 1  -17   14   24 o   44.007   20.979  -4.1998   6.6263 -14.4387   9.5079   5.4703   9.2400   43.434   21.602   63.312   28.131 -19.87794 35.46801 
1 1 1  -17   14   25 f  102.533   31.625   23.081   9.2358   35.030   13.108   11.300   13.015  113.989   37.939   71.852   32.533 42.13674 49.97736 
1 1 1  -17   14   26 o   73.738   27.929   11.311   7.3270   10.341   10.780   12.144   9.9894   69.481   30.651   72.798   30.775 -3.316826 43.43461 
1 1 1  -17   14   27 o   47.703   22.470  -1.5322   7.1770 -10.5622   10.067   7.7999   10.234   46.020   22.773   64.445   29.044 -18.42446 36.90733 
1 1 1  -17   14   28 o   53.945   24.400   3.0760   7.2994   7.3121   10.439  -0.9767   10.211   62.452   28.606   53.133   25.519 9.319859 38.33453 
1 1 1  -17   14   29 o   66.756   27.381   10.262   7.5693   7.9715   10.991   12.328   10.439   61.741   28.662   67.690   29.997 -5.948982 41.48847 
1 1 1  -17   15    1 o   95.949   19.098   13.430   4.5797   2.8250   13.746   14.754   4.8572   75.175   33.790  100.537   19.354 -25.36223 38.94030 
1 1 1  -17   15    2 o  119.393   16.408   20.076   4.9401   2.8830   13.689   22.651   5.2971   75.081   33.737  126.854   16.512 -51.77329 37.56069 
1 1 1  -17   15    3 o  169.027   12.998   38.892   5.6474   20.580   14.478   42.178   6.1332  103.307   39.228  175.671   13.584 -72.36407 41.51310 
1 1 1  -17   15    4 o  164.415   13.426   36.946   5.6681  -2.1640   15.251   43.214   6.1054   71.976   33.529  177.943   13.343 -105.9668 36.08621 
1 1 1  -17   15    5 o  189.060   13.608   48.887   6.6197   0.0000   0.0000   48.887   6.6197  ?   ?   189.060   13.608 0.000000 13.60826 
1 1 1  -17   15    6 o  147.129   16.024   30.340   6.0082   0.0000   0.0000   30.340   6.0082  ?   ?   147.129   16.024 0.000000 16.02424 
1 1 1  -17   15    7 o  144.097   15.286   28.953   5.6184   47.390   15.675   26.235   6.0183  158.193   38.596  135.617   17.543 22.57574 42.39598 
1 1 1  -17   15    8 o   83.168   21.926   10.587   4.7907  -4.0720   14.724   12.322   5.0663   68.425   32.216   89.794   21.963 -21.36926 38.99088 
1 1 1  -17   15    9 o  187.609   12.966   48.092   6.2622   53.250   16.483   47.222   6.7698  166.575   38.905  184.911   14.244 -18.33603 41.43036 
1 1 1  -17   15   10 o  131.984   22.041   26.347   7.2696   18.460   14.769   28.869   8.3514   96.333   38.708  135.945   24.623 -39.61206 45.87595 
1 1 1  -17   15   11 o  125.658   29.322   26.720   9.3699   0.0000   0.0000   26.720   9.3699  ?   ?   125.658   29.322 0.000000 29.32237 
1 1 1  -17   15   12 o  115.025   22.381   20.382   6.4285   19.250   14.891   20.641   7.1268   96.064   38.773  113.628   24.901 -17.56410 46.08086 
1 1 1  -17   15   13 o  136.169   17.945   26.978   6.1754   28.240   16.054   26.759   6.6902  109.487   41.371  134.020   19.874 -24.53357 45.89743 
1 1 1  -17   15   14 o   91.056   25.312   13.714   6.1855   44.790   15.795   8.0854   6.7224  143.652   40.631   71.757   26.843 71.89430 48.69721 
1 1 1  -17   15   15 o   62.890   24.713   5.4142   5.8904 -15.1200   15.003   9.1563   6.4047   58.089   28.564   74.506   26.449 -16.41710 38.92845 
1 1 1  -17   15   16 o  107.834   23.935   18.909   6.5112   26.660   17.179   17.609   7.0361  100.475   41.235  101.417   26.493 -0.9417877 49.01269 
1 1 1  -17   15   17 o   66.672   25.253   6.9420   5.9902 -12.6900   15.750   10.262   6.4769   59.773   29.366   76.990   26.652 -17.21693 39.65767 
1 1 1  -17   15   18 o   87.195   29.377   14.391   7.8584   13.340   15.500   14.754   9.1169   80.731   36.114   86.106   31.428 -5.374123 47.87361 
1 1 1  -17   15   19 o  191.322   21.940   58.204   10.676   0.0000   0.0000   58.204   10.676  ?   ?   191.322   21.940 0.000000 21.93951 
1 1 1  -17   15   20 o  142.523   24.746   34.342   8.8043   33.873   10.426   35.510   16.438  132.552   30.930  108.753   41.678 23.79919 51.90168 
1 1 1  -17   15   21 o   99.890   26.327   18.090   6.9081   23.155   9.9592   13.393   9.5903  103.012   32.990   79.461   31.434 23.55067 45.56807 
1 1 1  -17   15   22 o   82.249   27.680   13.182   6.9766   7.5603   9.7081   19.186   10.033   67.409   29.430   91.088   33.011 -23.67892 44.22457 
1 1 1  -17   15   23 o  102.239   26.887   19.664   7.2153   16.418   10.321   22.768   10.091   82.905   32.669   98.789   33.290 -15.88402 46.64215 
1 1 1  -17   15   24 o  104.368   31.855   24.183   9.3993   29.440   12.929   18.290   13.688  101.424   37.364   80.076   34.954 21.34708 51.16485 
1 1 1  -17   15   25 o   44.407   21.212  -3.7600   6.8457   5.2005   9.8073 -12.2743   9.5600   61.459   27.988   44.112   21.892 17.34663 35.53320 
1 1 1  -17   15   26 o  109.237   27.535   23.847   7.7887   17.878   11.373   29.119   10.689   79.239   33.127  106.954   34.169 -27.71561 47.59103 
1 1 1  -17   15   27 o  131.645   24.327   31.952   7.9901   40.258   11.575   24.392   11.043  127.637   34.282   90.837   34.316 36.79978 48.50632 
1 1 1  -17   15   28 o   65.524   27.122   9.7433   7.5159   14.737   10.650   4.7878   10.609   71.013   30.918   57.952   27.304 13.06124 41.24870 
1 1 1  -17   16    1 o   50.688   20.311   2.4674   4.0543   17.070   12.324   0.6952   4.2932   95.949   36.250   46.407   19.914 49.54224 41.35971 
1 1 1  -17   16    2 o   89.951   20.952   12.209   4.7910  -6.7460   14.638   14.483   5.0703   65.915   31.355   98.431   20.550 -32.51588 37.48870 
1 1 1  -17   16    3 o   53.322   21.222   2.9476   4.3957  -4.3080   13.867   3.7582   4.6347   66.505   31.298   56.625   22.015 9.880352 38.26484 
1 1 1  -17   16    4 o  124.680   17.988   22.398   5.6413   0.0000   0.0000   22.398   5.6413  ?   ?   124.680   17.988 0.000000 17.98780 
1 1 1  -17   16    5 o  153.744   15.689   33.168   6.1604   0.0000   0.0000   33.168   6.1604  ?   ?   153.744   15.689 0.000000 15.68875 
1 1 1  -17   16    6 o  109.247   28.972   20.164   8.3324   0.0000   0.0000   20.164   8.3324  ?   ?   109.247   28.972 0.000000 28.97187 
1 1 1  -17   16    7 o  234.560   11.642   74.315   7.0735   59.250   17.576   77.227   7.7269  173.089   40.003  238.016   12.578 -64.92682 41.93328 
1 1 1  -17   16    8 o  128.717   17.559   23.891   5.7017  -1.9890   15.545   27.914   6.1289   70.498   33.165  139.417   17.346 -68.91840 37.42763 
1 1 1  -17   16    9 o   96.044   29.576   16.102   8.0814   0.0000   0.0000   16.102   8.0814  ?   ?    96.044   29.576 0.000000 29.57558 
1 1 1  -17   16   10 o   97.984   31.670   17.580   9.1624   0.0000   0.0000   17.580   9.1624  ?   ?    97.984   31.670 0.000000 31.67014 
1 1 1  -17   16   11 o  242.188   14.516   81.857   9.0643   41.730   16.658   98.734   10.804  134.029   42.639  264.238   15.858 -130.2094 45.49240 
1 1 1  -17   16   12 o  163.477   15.693   37.987   6.5638   58.020   15.945   33.900   7.2024  172.437   36.817  151.602   18.740 20.83528 41.31215 
1 1 1  -17   16   13 o  121.370   20.309   22.399   6.1593   31.120   16.196   20.924   6.6597  111.118   41.646  114.670   23.217 -3.552162 47.68026 
1 1 1  -17   16   14 o   78.514   25.307   10.381   5.8534   20.250   15.404   8.7157   6.3280   92.563   38.614   72.605   26.231 19.95812 46.68076 
1 1 1  -17   16   15 o   71.711   26.385   8.5721   6.4443   27.080   16.600   5.2878   6.9928  100.243   40.767   63.409   26.197 36.83423 48.45876 
1 1 1  -17   16   16 o   95.616   25.875   15.874   6.5648   21.190   15.864   14.776   7.2112   90.883   38.619   89.915   27.979 0.9678421 47.68940 
1 1 1  -17   16   17 o   78.506   26.781   11.084   6.5316   14.410   15.997   10.419   7.1553   80.877   36.393   75.815   27.816 5.061485 45.80612 
1 1 1  -17   16   18 o  106.957   25.478   19.910   6.9578   15.430   16.072   20.943   7.7186   80.785   36.403  107.087   27.639 -26.30187 45.70659 
1 1 1  -17   16   19 o  133.357   25.473   30.801   8.4785   31.330   17.265   30.633   9.7329   98.212   40.917  126.075   30.201 -27.86255 50.85539 
1 1 1  -17   16   20 o  107.833   36.757   29.222   12.304   20.560   17.700   37.320   17.115   82.740   37.649  105.729   41.940 -22.98932 56.35948 
1 1 1  -17   16   21 o   93.702   26.508   16.478   6.7224   13.027   9.7056   19.661   9.3200   76.963   31.219   93.711   31.991 -16.74818 44.69944 
1 1 1  -17   16   22 o   60.970   25.346   5.8525   6.6045   4.7640   9.3866   6.9198   9.2945   61.638   27.794   64.907   28.555 -3.268677 39.84788 
1 1 1  -17   16   23 o   79.705   30.460   14.529   8.7643  -1.8630   11.951   33.600   12.891   56.797   27.363  109.672   37.622 -52.87494 46.52000 
1 1 1  -17   16   24 o   77.257   27.891   12.705   7.1521   22.128   10.238   3.7232   9.9954   92.524   33.375   59.322   27.465 33.20221 43.22321 
1 1 1  -17   16   25 o   74.590   27.655   12.133   7.1044   17.896   10.096   6.4794   9.9991   81.441   32.241   61.887   28.213 19.55386 42.84266 
1 1 1  -17   16   26 o   59.732   25.758   6.5042   7.2509  -7.8783   10.437   19.921   10.081   47.596   23.485   83.887   32.508 -36.29110 40.10357 
1 1 1  -17   16   27 o   49.575   23.081   1.0628   7.2121  -2.6449   10.189   4.7852   10.210   50.285   24.471   57.445   26.977 -7.160210 36.42239 
1 1 1  -17   17    1 o  173.855   12.694   41.371   5.6771   30.000   14.908   43.300   6.1397  117.375   40.447  177.286   13.470 -59.91156 42.63123 
1 1 1  -17   17    2 o  162.341   13.295   36.294   5.5416   37.440   14.057   36.083   6.0299  137.023   38.182  160.872   14.630 -23.84923 40.88871 
1 1 1  -17   17    3 o   96.535   20.454   14.090   4.9557   0.9937   13.711   16.057   5.3151   70.420   32.450  103.116   20.620 -32.69605 38.44678 
1 1 1  -17   17    4 o  113.076   19.616   19.009   5.5373   0.0000   0.0000   19.009   5.5373  ?   ?   113.076   19.616 0.000000 19.61632 
1 1 1  -17   17    5 o  157.865   16.197   35.396   6.5293   0.0000   0.0000   35.396   6.5293  ?   ?   157.865   16.197 0.000000 16.19663 
1 1 1  -17   17    6 o   95.994   22.854   14.499   5.6011   0.0000   0.0000   14.499   5.6011  ?   ?    95.994   22.854 0.000000 22.85433 
1 1 1  -17   17    7 o  121.674   21.891   22.756   6.6458   0.0000   0.0000   22.756   6.6458  ?   ?   121.674   21.891 0.000000 21.89108 
1 1 1  -17   17    8 o   95.327   30.847   16.615   8.6903   0.9296   16.903   22.250   10.132   73.265   34.502  108.089   33.088 -34.82359 47.80377 
1 1 1  -17   17    9 o   55.541   23.926   2.0836   6.2424   21.000   14.976  -1.8942   6.8674   96.281   38.876   50.184   23.066 46.09691 45.20367 
1 1 1  -17   17   10 o   74.827   24.178   9.1133   5.3405  -8.7700   14.917   11.742   5.7196   62.026   30.049   84.211   24.648 -22.18570 38.86515 
1 1 1  -17   17   11 o   72.962   24.305   8.6921   5.3795   2.1370   14.167   9.7965   5.8151   69.687   32.413   76.597   25.258 -6.910088 41.09270 
1 1 1  -17   17   12 o   63.253   24.652   5.7772   5.8229   1.9140   15.082   6.4540   6.3123   69.939   32.827   65.709   25.651 4.229530 41.66021 
1 1 1  -17   17   13 o  102.016   24.595   17.413   6.4234 -15.2800   15.817   23.871   7.0292   58.182   28.745  121.655   23.152 -63.47299 36.90947 
1 1 1  -17   17   14 o   68.227   25.772   7.6128   6.2280  -2.9740   15.306   9.7134   6.8180   64.843   31.170   74.386   27.174 -9.543274 41.35188 
1 1 1  -17   17   15 o   69.408   25.609   8.1478   6.0774  -2.8530   15.696   10.088   6.5915   64.756   31.238   75.172   26.816 -10.41615 41.16928 
1 1 1  -17   17   16 o   63.539   25.425   6.2097   6.3427  -2.5270   15.274   8.0301   6.9723   63.814   30.791   68.652   26.915 -4.838017 40.89645 
1 1 1  -17   17   17 o   72.692   26.613   9.6118   6.5445   28.360   15.979   5.8328   7.1738   96.532   39.711   62.978   26.318 33.55431 47.64014 
1 1 1  -17   17   18 o   52.156   23.552   0.9021   6.7684  -4.6570   16.380   2.0467   7.4326   62.193   30.429   55.574   24.923 6.618496 39.33318 
1 1 1  -17   17   19 o   36.400   18.285 -16.8373   7.6240 -21.4100   15.451 -15.3655   8.7655   51.765   26.007   40.794   20.361 10.97104 33.02967 
1 1 1  -17   17   20 o   97.123   31.246   20.683   8.9264   26.060   17.798   18.876   10.318   85.480   38.433   87.758   33.166 -2.277878 50.76493 
1 1 1  -17   17   21 o   45.618   22.045  -5.6165   7.9023 -13.8100   17.304  -3.4575   8.8826   56.422   28.229   50.192   24.026 6.230354 37.06871 
1 1 1  -17   17   22 o   74.185   33.040   14.670   12.823   0.0000   0.0000   14.670   12.823  ?   ?    74.185   33.040 0.000000 33.04005 
1 1 1  -17   17   23 o   55.816   24.698   3.9002   7.0520   11.545   9.6958  -4.6866   10.276   70.324   30.045   50.759   24.672 19.56462 38.87650 
1 1 1  -17   17   24 o   77.915   28.042   13.599   7.2228   9.9842   10.098   17.387   10.336   66.325   29.441   78.943   32.144 -12.61799 43.58904 
1 1 1  -17   17   25 o  105.876   27.865   23.696   7.7459   22.807   10.827   24.628   11.086   86.546   33.648   89.415   34.237 -2.869080 48.00376 
1 1 1  -17   17   26 o   59.690   25.888   7.2528   7.4085   9.3863   10.580   5.1999   10.378   62.490   28.687   57.547   27.080 4.942852 39.44994 
1 1 1  -17   18    1 o  119.143   17.216   20.625   5.1589   14.750   13.972   21.553   5.5512   87.126   36.590  121.034   18.275 -33.90869 40.90011 
1 1 1  -17   18    2 o   46.519   20.320   0.4480   4.6334 -11.8600   13.421   2.1133   4.9369   57.445   27.983   51.806   21.753 5.639069 35.44381 
1 1 1  -17   18    3 f   55.944   22.479   3.5664   4.9810   0.0000   0.0000   3.5664   4.9810  ?   ?    55.944   22.479 0.000000 22.47941 
1 1 1  -17   18    4 o  122.343   21.066   22.911   6.4351   0.0000   0.0000   22.911   6.4351  ?   ?   122.343   21.066 0.000000 21.06622 
1 1 1  -17   18    5 o   64.768   24.662   6.1186   5.7322   0.0000   0.0000   6.1186   5.7322  ?   ?    64.768   24.662 0.000000 24.66197 
1 1 1  -17   18    6 o   81.801   24.458   11.061   5.5830 -14.9900   12.982   16.972   6.1840   53.913   26.522  102.416   23.769 -48.50333 35.61415 
1 1 1  -17   18    7 o   76.330   27.532   9.9269   6.9668  -9.4260   14.377   15.866   7.9644   60.264   29.266   93.211   29.465 -32.94772 41.52933 
1 1 1  -17   18    8 o   40.762   19.377  -4.7310   5.5732  -9.1450   14.689  -3.9888   6.0236   60.724   29.511   43.630   20.562 17.09388 35.96811 
1 1 1  -17   18    9 f  144.527   17.174   30.613   6.3037   47.970   16.911   27.813   6.7933  139.327   42.764  135.006   20.033 4.320831 47.22345 
1 1 1  -17   18   10 o  156.198   16.321   35.434   6.5061   13.500   16.206   39.648   7.1036   81.638   36.693  164.666   16.893 -83.02786 40.39529 
1 1 1  -17   18   11 o   55.956   23.465   3.3206   5.7324   7.5190   14.406   2.5307   6.2484   73.615   33.677   55.354   23.891 18.26097 41.29055 
1 1 1  -17   18   12 o   47.031   21.391  -0.7614   5.7063 -28.6700   14.716   4.1772   6.1907   49.148   24.781   58.711   24.484 -9.562679 34.83635 
1 1 1  -17   18   13 o   92.533   29.254   16.536   7.8508   25.540   15.136   13.222   9.1825   95.971   38.967   80.864   31.113 15.10686 49.86403 
1 1 1  -17   18   14 o  194.755   17.968   57.180   8.9622   15.740   18.020   70.799   10.330   80.031   36.992  215.595   18.683 -135.5632 41.44198 
1 1 1  -17   18   15 o   76.462   25.736   10.640   6.0311   41.010   15.824   5.4783   6.5235  119.220   41.637   61.293   25.311 57.92714 48.72667 
1 1 1  -17   18   16 o  110.282   24.027   20.943   6.6695   9.5390   16.370   23.213   7.3031   72.340   34.032  114.754   25.254 -42.41418 42.37892 
1 1 1  -17   18   17 o   54.402   23.928   2.6647   6.5235   8.5770   15.882   1.4648   7.1549   70.434   33.253   53.549   24.195 16.88521 41.12323 
1 1 1  -17   18   18 o   69.986   29.042   9.7333   8.6490   16.350   16.214   7.1019   10.225   76.576   35.287   65.720   29.370 10.85567 45.91030 
1 1 1  -17   18   19 o   47.810   22.757  -3.1636   7.7355   19.120   16.765  -9.1913   8.7192   77.789   35.859   44.554   21.881 33.23505 42.00755 
1 1 1  -17   18   20 o   71.815   27.222   10.538   6.9639  -1.5910   17.605   12.788   7.5824   61.835   30.508   76.960   28.563 -15.12428 41.79242 
1 1 1  -17   18   21 o   98.910   32.178   23.476   9.4495   0.0000   0.0000   23.476   9.4495  ?   ?    98.910   32.178 0.000000 32.17809 
1 1 1  -17   18   22 o   45.885   21.706  -1.9541   6.8286 -12.3000   17.367  -0.0621   7.4268   54.945   27.601   49.759   23.252 5.186733 36.08969 
1 1 1  -17   18   23 o   88.266   31.774   20.482   9.2737   23.790   18.403   19.356   10.737   73.897   35.153   80.653   32.791 -6.756134 48.07282 
1 1 1  -17   18   24 o   91.489   28.236   18.896   7.3613   13.399   10.249   24.752   10.579   69.248   30.236   90.593   33.716 -21.34541 45.28767 
1 1 1  -17   18   25 o   52.337   23.935   3.3571   7.2686   6.3952   10.342   0.3911   10.218   58.236   27.285   52.120   25.158 6.115891 37.11356 
1 1 1  -17   19    1 o  124.176   21.053   23.887   6.5297   0.0000   0.0000   23.887   6.5297  ?   ?   124.176   21.053 0.000000 21.05254 
1 1 1  -17   19    2 o  121.961   20.076   22.745   6.1215   3.3590   14.749   26.780   6.7285   70.900   33.009  132.284   20.283 -61.38440 38.74278 
1 1 1  -17   19    3 o   69.770   24.475   7.9221   5.4707   0.0000   0.0000   7.9221   5.4707  ?   ?    69.770   24.475 0.000000 24.47540 
1 1 1  -17   19    4 o  117.294   20.795   21.354   6.0868   0.0000   0.0000   21.354   6.0868  ?   ?   117.294   20.795 0.000000 20.79540 
1 1 1  -17   19    5 o   63.598   23.353   6.2235   5.0446   4.6150   12.778   6.5204   5.4905   69.572   31.785   64.880   24.261 4.691536 39.98626 
1 1 1  -17   19    6 o  138.721   21.820   30.345   7.5815   29.150   14.577   30.788   8.8765  106.944   39.621  134.322   26.453 -27.37808 47.64067 
1 1 1  -17   19    7 o  182.006   17.017   48.659   7.9297   23.240   15.258   58.065   9.2816   94.295   38.799  196.984   18.404 -102.6890 42.94259 
1 1 1  -17   19    8 o  170.890   14.963   41.879   6.5567   23.590   15.507   45.861   7.2353   93.735   38.892  177.810   15.876 -84.07549 42.00734 
1 1 1  -17   19    9 o   63.099   24.417   6.1362   5.6805 -10.4400   15.083   8.8760   6.1320   58.749   28.838   71.602   25.829 -12.85268 38.71396 
1 1 1  -17   19   10 o   89.596   24.013   13.745   5.6863   21.390   14.315   12.312   6.1961   90.215   37.394   82.777   25.964 7.438171 45.52418 
1 1 1  -17   19   11 o   77.563   25.375   10.752   5.8734  -5.8230   14.770   13.865   6.4012   60.490   29.442   87.327   26.207 -26.83699 39.41634 
1 1 1  -17   19   12 o  140.978   18.949   30.688   6.7447   39.670   16.616   28.916   7.3800  113.301   42.237  133.055   22.195 -19.75370 47.71342 
1 1 1  -17   19   13 o  101.339   24.516   17.966   6.3654   33.430   15.752   14.948   6.9589  103.610   40.501   88.313   27.486 15.29653 48.94700 
1 1 1  -17   19   14 o   76.070   26.142   10.881   6.2257 -12.9800   15.628   15.382   6.7876   56.046   27.844   89.798   26.995 -33.75275 38.78156 
1 1 1  -17   19   15 f   75.222   26.129   10.774   6.2275  -0.5171   15.920   12.813   6.7667   63.114   30.684   80.668   27.260 -17.55410 41.04444 
1 1 1  -17   19   16 o   87.096   26.768   14.777   6.6237  -6.3790   16.010   19.146   7.2756   58.996   29.105   99.258   27.399 -40.26222 39.97257 
1 1 1  -17   19   17 o   57.209   25.859   3.2458   8.1829   5.5260   16.123   2.4547   9.4969   65.978   31.785   57.872   26.786 8.105461 41.56652 
1 1 1  -17   19   18 o   62.435   26.922   6.7070   7.9198   17.390   16.998   3.7447   8.9507   74.444   34.912   58.428   26.659 16.01575 43.92616 
1 1 1  -17   19   19 o   41.746   20.293  -6.1653   6.9552   0.0000   0.0000  -6.1653   6.9552  ?   ?    41.746   20.293 0.000000 20.29267 
1 1 1  -17   19   20 o   75.050   28.960   13.097   7.9739  -6.0130   18.065   17.721   8.8865   58.188   29.071   84.313   30.989 -26.12534 42.49083 
1 1 1  -17   19   21 o   60.630   26.005   6.8982   7.3154   8.9270   16.529   6.4040   8.1579   64.408   31.303   59.956   26.546 4.452106 41.04298 
1 1 1  -17   19   22 o   53.124   24.209   3.1104   7.3537   11.650   17.159   1.1891   8.1391   64.726   31.554   51.503   24.155 13.22233 39.73831 
1 1 1  -17   19   23 o  132.267   24.824   33.895   8.1926   25.500   18.647   35.903   9.1201   71.032   34.210  130.490   27.831 -59.45721 44.10098 
1 1 1  -17   19   24 o   49.397   23.034   1.7505   7.2259   9.1900   17.662   0.2551   7.9189   60.025   29.784   48.517   23.074 11.50793 37.67568 
1 1 1  -17   20    1 o   75.611   23.796   9.7073   5.1995  -3.6910   13.619   11.994   5.6256   61.367   29.474   83.463   24.449 -22.09595 38.29448 
1 1 1  -17   20    2 o   74.009   24.913   9.4668   5.6513   0.0000   0.0000   9.4668   5.6513  ?   ?    74.009   24.913 0.000000 24.91273 
1 1 1  -17   20    3 f  156.672   17.099   36.391   6.8265   0.0000   0.0000   36.391   6.8265  ?   ?   156.672   17.099 0.000000 17.09866 
1 1 1  -17   20    4 o   58.010   24.957   3.5251   6.7743  -6.4170   14.556   6.2737   7.6536   60.343   29.338   65.109   27.194 -4.766354 40.00320 
1 1 1  -17   20    5 o   55.513   24.093   2.7237   6.4262  -2.1970   13.866   4.0698   7.2520   62.357   29.893   59.840   25.783 2.517551 39.47619 
1 1 1  -17   20    6 o  159.242   16.614   37.513   6.7521   19.420   15.837   41.533   7.4646   85.132   37.367  166.397   17.585 -81.26530 41.29782 
1 1 1  -17   20    7 o   63.185   24.095   6.4129   5.4765   3.3600   13.588   7.0050   5.9840   66.397   31.163   65.173   25.105 1.223778 40.01701 
1 1 1  -17   20    8 o   73.779   25.097   9.7205   5.7358   18.070   14.334   8.1286   6.2587   83.320   36.072   68.253   25.822 15.06622 44.36209 
1 1 1  -17   20    9 o  123.537   20.428   24.315   6.3085   4.6640   16.154   27.851   6.8526   68.603   32.718  131.972   20.729 -63.36851 38.73182 
1 1 1  -17   20   10 o  126.946   20.823   25.954   6.6098   14.620   15.894   28.324   7.2681   76.938   35.262  130.992   22.214 -54.05389 41.67566 
1 1 1  -17   20   11 o  148.690   18.215   34.100   6.8690   27.990   15.876   35.507   7.6190   92.613   38.955  149.071   20.256 -56.45767 43.90662 
1 1 1  -17   20   12 o   75.640   26.083   10.905   6.2001   18.470   16.208   9.6078   6.7105   79.178   36.028   70.915   26.760 8.263084 44.87863 
1 1 1  -17   20   13 o   88.201   26.175   14.861   6.4123   13.520   15.711   15.129   7.0239   73.477   34.162   86.823   27.694 -13.34652 43.97752 
1 1 1  -17   20   14 o   93.567   26.267   16.783   6.6270   22.320   16.204   15.671   7.2621   81.354   36.616   87.127   28.199 -5.773598 46.21608 
1 1 1  -17   20   15 f   81.083   26.559   13.149   6.4332   13.870   16.205   13.014   7.0092   71.935   33.847   78.944   27.703 -7.009109 43.73935 
1 1 1  -17   20   16 o   47.029   21.748  -0.4144   6.2393   4.8280   15.585  -1.4149   6.8087   63.915   30.904   47.047   22.074 16.86841 37.97773 
1 1 1  -17   20   17 o   71.956   31.972   13.841   11.936  -0.4599   17.815   25.490   16.079   61.132   30.258   81.426   36.577 -20.29478 47.47068 
1 1 1  -17   20   18 o  119.504   30.702   31.491   9.5545   0.0000   0.0000   31.491   9.5545  ?   ?   119.504   30.702 0.000000 30.70204 
1 1 1  -17   20   19 o   71.107   28.491   11.977   7.9767   18.670   17.711   10.274   8.9341   70.620   33.836   66.525   28.640 4.094551 44.33002 
1 1 1  -17   20   20 o   57.227   25.022   5.6423   7.0406   1.2190   16.728   6.5946   7.7616   58.694   29.100   59.260   26.082 -0.5661240 39.07740 
1 1 1  -17   20   21 o   51.959   23.696   3.0359   7.0618   12.620   17.480   1.1666   7.7198   63.756   31.245   50.185   23.533 13.57128 39.11578 
1 1 1  -17   20   22 o   69.090   27.693   12.218   7.5389   9.7620   17.615   12.769   8.3414   60.635   30.026   68.619   28.502 -7.984463 41.39950 
1 1 1  -17   20   23 o   68.575   27.344   12.373   7.3102   11.650   16.567   12.548   8.1461   60.065   29.628   67.010   28.028 -6.944691 40.78402 
1 1 1  -17   21    1 o   54.351   22.782   3.4504   5.3992   20.350   15.768   1.2057   5.7466   84.364   37.151   50.118   22.230 34.24634 43.29411 
1 1 1  -17   21    2 o   70.417   28.188   9.1828   7.7998   0.0000   0.0000   9.1828   7.7998  ?   ?    70.417   28.188 0.000000 28.18830 
1 1 1  -17   21    3 o   52.741   23.694   1.3013   6.7488   0.0000   0.0000   1.3013   6.7488  ?   ?    52.741   23.694 0.000000 23.69401 
1 1 1  -17   21    4 o   53.328   23.606   2.0438   6.4473  -7.7630   13.281   5.0675   7.3746   55.915   27.366   60.888   26.113 -4.973694 37.82581 
1 1 1  -17   21    5 o   56.446   23.119   4.3745   5.3863 -14.4800   13.244   8.1113   5.8960   51.567   25.621   67.613   25.169 -16.04635 35.91550 
1 1 1  -17   21    6 o  191.291   14.067   52.758   6.9212   35.780   15.868   56.747   7.6914  105.272   40.788  196.753   15.210 -91.48047 43.53148 
1 1 1  -17   21    7 o  173.141   15.609   44.352   6.9254   25.420   16.744   48.259   7.6065   86.934   38.283  179.259   16.569 -92.32472 41.71492 
1 1 1  -17   21    8 o  149.474   16.964   33.926   6.4519   16.480   15.287   37.708   7.1169   77.312   35.105  156.391   17.890 -79.07826 39.40107 
1 1 1  -17   21    9 o  118.944   22.044   23.764   6.5416  -2.7890   15.446   29.568   7.2212   60.574   29.618  133.443   21.632 -72.86926 36.67664 
1 1 1  -17   21   10 o  142.522   22.991   34.786   8.1987   20.650   16.864   39.161   9.3821   79.167   36.297  147.365   25.502 -68.19759 44.36046 
1 1 1  -17   21   11 o  146.380   18.501   33.799   6.8583   6.4360   16.162   39.809   7.5741   66.363   31.933  158.442   18.823 -92.07961 37.06771 
1 1 1  -17   21   12 o  148.060   18.216   34.548   6.8390   32.870   17.234   34.862   7.4508   90.271   39.317  145.806   20.276 -55.53504 44.23738 
1 1 1  -17   21   13 o  134.634   20.046   29.776   6.7777   13.930   16.436   33.023   7.4398   70.812   33.550  140.270   21.132 -69.45801 39.65012 
1 1 1  -17   21   14 o  113.189   23.822   23.152   6.7635   52.540   17.461   17.964   7.3362  116.014   43.288   92.093   28.149 23.92097 51.63530 
1 1 1  -17   21   15 o   62.597   25.842   7.5218   6.7967  -9.7190   16.245   11.180   7.4831   54.870   27.437   70.952   27.863 -16.08135 39.10372 
1 1 1  -17   21   16 o   50.360   24.474  -3.6921   10.103   0.0000   0.0000  -3.6921   10.103  ?   ?    50.360   24.474 0.000000 24.47434 
1 1 1  -17   21   17 o   46.096   22.812  -8.8090   10.110   0.0000   0.0000  -8.8090   10.110  ?   ?    46.096   22.812 0.000000 22.81228 
1 1 1  -17   21   18 o   56.697   24.667   5.5714   6.7680   22.230   17.358   2.5847   7.3497   71.342   33.994   52.064   23.905 19.27775 41.55743 
1 1 1  -17   21   19 o   68.456   27.496   11.457   7.4490   10.600   17.675   11.642   8.2141   62.279   30.697   67.551   28.190 -5.272312 41.67696 
1 1 1  -17   21   20 o   43.916   21.118  -2.4344   7.0413   20.550   17.654  -6.7825   7.6785   66.593   32.361   41.220   20.301 25.37288 38.20175 
1 1 1  -17   21   21 o   63.271   26.403   10.006   7.2059   17.510   17.884   8.5515   7.8733   62.879   30.971   59.688   26.269 3.191372 40.61093 
1 1 1  -17   21   22 o   75.211   28.288   15.772   7.4859   24.870   18.438   13.976   8.1914   64.500   31.706   68.373   28.309 -3.873863 42.50505 
1 1 1  -17   22    1 o   52.166   23.899   0.7703   7.2918   0.0000   0.0000   0.7703   7.2918  ?   ?    52.166   23.899 0.000000 23.89939 
1 1 1  -17   22    2 o   43.171   20.239  -2.2401   5.7038   0.0000   0.0000  -2.2401   5.7038  ?   ?    43.171   20.239 0.000000 20.23873 
1 1 1  -17   22    3 o   85.829   24.859   13.673   5.8453 -11.9700   14.499   18.651   6.3875   53.826   26.755  101.711   24.529 -47.88459 36.29741 
1 1 1  -17   22    4 o   90.424   24.837   15.112   5.9959   0.2393   15.427   17.758   6.5074   62.017   30.164   97.687   25.459 -35.67049 39.47147 
1 1 1  -17   22    5 o   70.357   25.134   9.3873   5.7925 -19.5500   14.423   14.953   6.3251   49.796   25.033   88.194   25.950 -38.39806 36.05644 
1 1 1  -17   22    6 o  105.092   22.482   19.081   5.9349   31.330   14.571   16.645   6.4984   96.655   38.585   93.228   25.954 3.427094 46.50183 
1 1 1  -17   22    7 o   75.290   25.909   11.202   6.1160   26.830   15.186   8.1763   6.6818   87.172   37.431   65.571   26.144 21.60052 45.65717 
1 1 1  -17   22    8 o   91.657   24.673   15.702   5.9876   9.1780   16.020   16.761   6.4554   67.390   32.260   93.211   25.839 -25.82096 41.33236 
1 1 1  -17   22    9 o   80.787   26.289   13.179   6.3070   8.5320   15.538   14.095   6.9011   66.316   31.753   81.765   27.530 -15.44901 42.02521 
1 1 1  -17   22   10 o   89.009   26.340   15.875   6.5002   15.570   16.722   15.929   7.0551   71.214   33.769   86.683   27.767 -15.46954 43.71914 
1 1 1  -17   22   11 o  113.598   23.653   23.360   6.7336   24.230   16.194   23.178   7.4040   78.941   35.956  108.642   26.538 -29.70073 44.68865 
1 1 1  -17   22   12 o  108.624   24.592   22.115   6.7584  -3.1890   16.903   26.930   7.3735   58.197   28.921  120.608   24.439 -62.41111 37.86390 
1 1 1  -17   22   13 o  100.440   25.974   20.048   6.8080   18.070   16.662   20.444   7.4590   70.925   33.655   97.749   28.015 -26.82364 43.78925 
1 1 1  -17   22   14 o   78.327   28.167   14.288   7.2859   0.0000   0.0000   14.288   7.2859  ?   ?    78.327   28.167 0.000000 28.16666 
1 1 1  -17   22   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   22   16 o   42.699   20.856  -5.4772   7.5985  -4.6050   16.018  -5.7305   8.6316   54.472   27.239   44.757   21.938 9.715389 34.97501 
1 1 1  -17   22   17 o   62.649   25.776   8.8095   6.7332 -11.9200   16.266   13.096   7.3967   50.934   25.727   72.075   27.870 -21.14165 37.92866 
1 1 1  -17   22   18 o   71.569   27.725   13.239   7.3309   16.750   17.697   12.512   8.0544   63.593   31.220   67.992   28.105 -4.398407 42.00688 
1 1 1  -17   22   19 o   59.287   25.461   8.1966   7.0282   12.920   17.678   7.3100   7.6595   60.114   29.823   57.311   25.529 2.803635 39.25743 
1 1 1  -17   22   20 o   48.606   22.630   2.5293   6.9320  -1.4760   17.961   3.2303   7.5142   52.888   26.752   50.146   23.418 2.742180 35.55377 
1 1 1  -17   23    1 o  121.724   22.784   25.946   6.9198   0.0000   0.0000   25.946   6.9198  ?   ?   121.724   22.784 0.000000 22.78425 
1 1 1  -17   23    2 o  162.673   18.094   41.932   7.4953   0.0000   0.0000   41.932   7.4953  ?   ?   162.673   18.094 0.000000 18.09435 
1 1 1  -17   23    3 o   71.486   25.429   10.201   5.9232   13.820   15.720   9.6025   6.3945   70.064   33.079   68.812   26.085 1.252327 42.12667 
1 1 1  -17   23    4 o   97.236   23.934   17.434   5.9876   9.9420   14.492   18.976   6.5750   66.592   31.537   99.482   25.421 -32.88992 40.50681 
1 1 1  -17   23    5 o   89.077   25.675   15.670   6.2488   36.690   14.911   11.192   6.8823   99.901   39.299   72.194   27.130 27.70760 47.75365 
1 1 1  -17   23    6 o   77.000   25.761   12.104   6.0424   34.230   15.543   8.1650   6.5582   92.640   38.729   64.197   25.795 28.44350 46.53272 
1 1 1  -17   23    7 o   43.424   20.433  -1.7579   5.9067   8.0950   14.514  -3.7137   6.4664   64.068   30.679   42.509   20.388 21.55829 36.83587 
1 1 1  -17   23    8 o   55.179   23.447   4.7240   5.8477   14.870   15.148   2.9471   6.3391   69.278   32.636   52.080   23.210 17.19736 40.04760 
1 1 1  -17   23    9 o   63.605   25.430   8.1906   6.3391 -19.9100   15.947   13.464   6.9083   49.583   25.094   77.529   27.475 -27.94661 37.21027 
1 1 1  -17   23   10 o   87.348   26.172   15.882   6.3881  -2.0330   15.827   19.369   6.9821   56.866   28.213   96.155   26.950 -39.28899 39.01605 
1 1 1  -17   23   11 o   44.728   20.913  -0.6602   6.0218   5.3280   16.445  -1.5876   6.4713   60.675   29.849   44.559   21.094 16.11550 36.55004 
1 1 1  -17   23   12 o   68.325   27.401   11.090   7.3851   0.0000   0.0000   11.090   7.3851  ?   ?    68.325   27.401 0.000000 27.40110 
1 1 1  -17   23   13 o   36.872   18.774 -24.5800   9.9099   0.0000   0.0000 -24.5800   9.9099  ?   ?    36.872   18.774 0.000000 18.77438 
1 1 1  -17   23   14 o   83.162   32.139   21.405   9.8325   1.6420   17.181   31.030   11.990   56.967   28.445   93.318   35.636 -36.35110 45.59631 
1 1 1  -17   23   15 o  131.915   23.215   33.082   7.6429   30.510   17.961   33.651   8.4457   72.420   34.527  126.742   26.575 -54.32209 43.57005 
1 1 1  -17   23   16 o  158.475   19.482   43.813   7.8289   47.140   18.238   43.061   8.6682   84.258   38.292  150.020   23.043 -65.76128 44.69105 
1 1 1  -17   23   17 o   86.529   28.661   19.502   7.4845   2.4860   16.857   23.680   8.3530   54.536   27.367   93.127   30.252 -38.59082 40.79343 
1 1 1  -17   23   18 o   42.868   20.733  -1.9958   7.0266  -9.5340   18.179  -0.6718   7.6187   49.918   25.418   45.275   21.821 4.642502 33.49939 
1 1 1  -17   23   19 o   47.859   23.260   0.9142   9.1272 -10.5500   18.199   4.7666   10.550   48.657   24.835   51.984   25.205 -3.326794 35.38460 
1 1 1  -17   24    1 f   47.588   21.633   1.2054   5.8266   0.0000   0.0000   1.2054   5.8266  ?   ?    47.588   21.633 0.000000 21.63338 
1 1 1  -17   24    2 o   48.205   21.901   1.4208   5.9599 -28.9700   15.846   6.4282   6.4322   46.241   23.563   58.955   24.796 -12.71457 34.20627 
1 1 1  -17   24    3 o   40.936   19.558  -3.0844   5.8274  -4.6510   14.264  -2.7705   6.3845   54.119   26.838   42.962   20.511 11.15725 33.77851 
1 1 1  -17   24    4 o   69.140   25.608   10.209   6.0886  -9.2420   14.355   14.476   6.7233   51.680   25.834   80.619   27.173 -28.93884 37.49368 
1 1 1  -17   24    5 o   92.498   25.263   17.205   6.2238   25.940   15.636   15.560   6.7845   77.278   35.249   83.637   27.268 -6.359268 44.56527 
1 1 1  -17   24    6 f   50.182   22.380   2.7690   5.9043  -5.5050   14.414   4.4372   6.4722   53.215   26.488   54.155   23.826 -0.9395409 35.62698 
1 1 1  -17   24    7 o  140.129   19.351   33.095   6.8365   40.080   16.847   31.718   7.4800   89.117   38.842  131.739   22.742 -42.62231 45.00987 
1 1 1  -17   24    8 o   55.492   24.084   5.3393   6.4211   12.540   15.666   3.8853   7.0396   63.929   30.929   53.250   24.035 10.67948 39.16963 
1 1 1  -17   24    9 f  102.093   25.636   21.360   6.7699   2.9170   17.732   24.508   7.3248   58.114   28.998  108.719   26.297 -50.60522 39.14623 
1 1 1  -17   24   10 o   91.587   28.332   19.793   7.4064   0.0000   0.0000   19.793   7.4064  ?   ?    91.587   28.332 0.000000 28.33169 
1 1 1  -17   24   11 o   91.989   31.135   23.244   8.8271   0.0000   0.0000   23.244   8.8271  ?   ?    91.989   31.135 0.000000 31.13465 
1 1 1  -17   24   12 o  124.550   29.688   36.369   9.4426   38.670   18.001   35.496   11.091   77.808   36.306  106.770   34.867 -28.96143 50.33757 
1 1 1  -17   24   13 o   93.794   30.271   23.604   8.3732   16.500   16.856   25.931   9.6477   62.156   30.505   91.345   32.458 -29.18826 44.54329 
1 1 1  -17   24   14 o   85.960   28.128   18.847   7.2166   7.3730   18.291   20.963   7.8537   56.515   28.381   88.210   29.367 -31.69447 40.83935 
1 1 1  -17   24   15 o   71.222   27.212   13.901   6.9940   16.400   17.504   13.426   7.6295   59.546   29.564   67.795   27.612 -8.249519 40.45281 
1 1 1  -17   24   16 o   51.961   23.615   5.3875   6.9363   5.9910   16.746   5.2625   7.6208   53.848   27.057   51.912   24.016 1.936077 36.17778 
1 1 1  -17   24   17 o   70.445   29.444   18.159   8.9815   52.840   17.910   6.5078   10.381   79.530   36.802   52.706   25.420 26.82424 44.72721 
1 1 1  -17   25    1 f   58.599   24.940   7.0693   6.6345   0.0000   0.0000   7.0693   6.6345  ?   ?    58.599   24.940 0.000000 24.93958 
1 1 1  -17   25    2 o   92.587   26.022   18.336   6.5002  -2.3880   15.544   22.728   7.1559   54.158   27.044  103.219   26.598 -49.06096 37.93246 
1 1 1  -17   25    3 o   88.018   26.532   17.199   6.5502   13.490   16.039   17.941   7.1758   62.925   30.639   86.703   28.028 -23.77848 41.52497 
1 1 1  -17   25    4 o   87.407   25.922   16.638   6.2904   20.290   15.424   15.909   6.8894   68.032   32.310   81.467   27.506 -13.43472 42.43295 
1 1 1  -17   25    5 o   93.279   26.469   19.137   6.6918   0.6914   15.376   23.447   7.4326   54.956   27.355  102.532   27.443 -47.57586 38.74804 
1 1 1  -17   25    6 o   52.351   23.317   4.4016   6.3866   0.0000   0.0000   4.4016   6.3866  ?   ?    52.351   23.317 0.000000 23.31655 
1 1 1  -17   25    7 f  110.595   30.389   30.434   8.9739   0.0000   0.0000   30.434   8.9739  ?   ?   110.595   30.389 0.000000 30.38870 
1 1 1  -17   25    8 o   39.875   19.665  -6.5508   7.2875   0.0000   0.0000  -6.5508   7.2875  ?   ?    39.875   19.665 0.000000 19.66520 
1 1 1  -17   25    9 o   51.182   23.679   3.7291   7.4086  -0.4372   16.083   4.8514   8.3470   53.192   26.698   53.286   24.817 -0.9400558E-01 36.45060 
1 1 1  -17   25   10 o   50.626   23.910   3.1098   8.2244   1.5610   15.599   3.7060   9.6788   53.359   26.711   52.221   25.019 1.137848 36.59825 
1 1 1  -17   25   11 o   55.952   25.750   7.5666   8.5974   35.800   16.553  -2.8629   10.061   73.667   34.517   46.657   23.028 27.00967 41.49324 
1 1 1  -17   25   12 o   74.933   29.068   17.482   8.0662   37.860   17.052   11.608   9.1553   72.632   34.341   60.586   27.372 12.04630 43.91516 
1 1 1  -17   25   13 o   46.357   21.786   1.9909   6.6791   20.110   16.608  -1.5048   7.2950   59.968   29.595   43.142   20.927 16.82581 36.24706 
1 1 1  -17   25   14 o   50.034   23.078   4.7844   6.9590  -2.6510   16.864   6.3103   7.6397   49.417   25.095   52.336   24.154 -2.918686 34.83045 
1 1 1  -17   26    1 o   56.639   24.357   7.1877   6.4477   0.0000   0.0000   7.1877   6.4477  ?   ?    56.639   24.357 0.000000 24.35711 
1 1 1  -17   26    2 o   42.634   20.400  -1.2802   6.3913   0.0000   0.0000  -1.2802   6.3913  ?   ?    42.634   20.400 0.000000 20.40033 
1 1 1  -17   26    3 o   56.634   25.177   7.5760   7.4115   0.0000   0.0000   7.5760   7.4115  ?   ?    56.634   25.177 0.000000 25.17746 
1 1 1  -17   26    4 o   56.284   25.569   7.6630   8.1216   0.0000   0.0000   7.6630   8.1216  ?   ?    56.284   25.569 0.000000 25.56892 
1 1 1  -17   26    5 o  116.685   25.559   29.356   7.5113  -2.0070   15.628   38.778   8.5656   51.042   25.710  135.151   25.400 -84.10966 36.14106 
1 1 1  -17   26    6 o   53.979   23.956   6.3652   6.6823  -0.5009   15.083   8.0422   7.4538   51.115   25.683   56.653   25.214 -5.537430 35.99097 
1 1 1  -17   26    7 o  114.945   24.521   27.917   7.0784  -4.2120   15.447   36.457   7.9638   49.426   24.978  132.983   24.002 -83.55702 34.64093 
1 1 1  -17   26    8 f   31.160   15.775 -14.0912   6.3350 -16.9500   14.887 -13.4590   7.0005   44.360   22.625   33.390   16.867 10.96960 28.22008 
1 1 1  -17   26    9 o   37.927   19.018  -9.7054   8.0618   1.5460   15.352 -13.9896   9.4731   50.745   25.551   38.315   19.386 12.43018 32.07304 
1 1 1  -17   26   10 o   42.648   21.004  -2.9792   8.2218   14.080   16.751  -8.3927   9.4366   55.391   27.722   40.854   20.498 14.53650 34.47677 
1 1 1  -17   26   11 o   86.319   28.308   21.247   7.3076   16.140   17.172   22.377   8.0753   55.266   27.718   83.440   29.691 -28.17372 40.61785 
1 1 1  -17   27    1 o   47.920   22.805   3.1312   7.7604  -5.2530   14.956   6.2202   9.0781   47.324   23.990   51.753   24.639 -4.429256 34.38881 
1 1 1  -17   27    2 o   44.945   21.110   1.9231   6.2559   21.630   15.438  -1.9489   6.8429   59.781   29.310   41.214   20.056 18.56692 35.51507 
1 1 1  -17   27    3 o   50.060   22.743   5.2057   6.4271   20.530   15.704   2.1225   7.0440   58.597   28.892   45.936   21.822 12.66075 36.20700 
1 1 1  -17   27    4 o   57.554   24.732   9.3359   6.6394   0.4217   15.446   11.356   7.3535   49.100   24.832   60.235   25.958 -11.13432 35.92266 
1 1 1  -17   27    5 o   48.521   22.224   4.5404   6.2996   20.310   15.594   1.4650   6.8866   57.762   28.539   44.629   21.306 13.13288 35.61431 
1 1 1  -17   27    6 f   36.238   18.014  -6.3982   6.5805 -22.6500   14.668  -2.3031   7.3630   41.038   21.046   41.183   20.202 -0.1448822 29.17301 
1 1 1  -17   27    7 o   49.292   23.568   5.3149   8.4953   19.410   15.824  -0.3930   10.070   55.962   27.838   45.298   22.478 10.66412 35.78041 
1 1 1  -16    0    1 o  130.765   15.135   23.281   4.9478   23.281   4.9478   23.281   4.9478  130.765   15.135  130.765   15.135 -0.000000 0.000000 
1 1 1  -16    0    2 o  164.911   14.484   36.421   6.0775   36.421   6.0775   36.421   6.0775  164.911   14.484  164.911   14.484 -0.000000 0.000000 
1 1 1  -16    0    3 o  166.031   18.680   37.680   7.7721   37.680   7.7721   37.680   7.7721  166.031   18.680  166.031   18.680 -0.000000 0.000000 
1 1 1  -16    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16    0    5 o   80.875   31.659   12.060   6.3452   12.060   6.3452   12.060   6.3452   80.875   31.659   80.875   31.659 0.000000 0.000000 
1 1 1  -16    0    6 o   92.330   27.231   13.919   5.6611   13.919   5.6611   13.919   5.6611   92.330   27.231   92.330   27.231 -0.000000 0.000000 
1 1 1  -16    0    7 o   89.033   28.681   13.403   5.8402   13.403   5.8402   13.403   5.8402   89.033   28.681   89.033   28.681 0.000000 0.000000 
1 1 1  -16    0    8 o   50.514   27.922   4.8618   5.3374   4.8618   5.3374   4.8618   5.3374   50.514   27.922   50.514   27.922 0.000000 0.000000 
1 1 1  -16    0    9 o  224.882   14.866   67.241   8.5727   67.241   8.5727   67.241   8.5727  224.882   14.866  224.882   14.866 -0.000000 0.000000 
1 1 1  -16    0   10 o  147.837   19.038   30.293   6.9582   30.293   6.9582   30.293   6.9582  147.837   19.038  147.837   19.038 0.000000 0.000000 
1 1 1  -16    0   11 o  112.625   26.223   19.445   6.6522   19.445   6.6522   19.445   6.6522  112.625   26.223  112.625   26.223 -0.000000 0.000000 
1 1 1  -16    0   12 o   41.912   26.239   1.6848   5.8775   1.6848   5.8775   1.6848   5.8775   41.912   26.239   41.912   26.239 -0.000000 0.000000 
1 1 1  -16    0   13 o   98.063   31.460   16.487   7.0493   16.487   7.0493   16.487   7.0493   98.063   31.460   98.063   31.460 0.000000 0.000000 
1 1 1  -16    0   14 o   51.885   34.694  -2.1490   12.870  -2.1490   12.870  -2.1490   12.870   51.885   34.694   51.885   34.694 -0.000000 0.000000 
1 1 1  -16    0   15 o   69.196   34.567   10.054   7.5536   10.054   7.5536   10.054   7.5536   69.196   34.567   69.196   34.567 -0.000000 0.000000 
1 1 1  -16    0   16 o  244.676   16.403   80.435   10.289   80.435   10.289   80.435   10.289  244.676   16.403  244.676   16.403 -0.000000 0.000000 
1 1 1  -16    0   17 o   91.774   34.587   15.839   7.6957   15.839   7.6957   15.839   7.6957   91.774   34.587   91.774   34.587 -0.000000 0.000000 
1 1 1  -16    0   18 o  116.000   30.405   21.891   7.8938   21.891   7.8938   21.891   7.8938  116.000   30.405  116.000   30.405 -0.000000 0.000000 
1 1 1  -16    0   19 o   39.499   26.100  -0.6334   6.9308  -0.6334   6.9308  -0.6334   6.9308   39.499   26.100   39.499   26.100 -0.000000 0.000000 
1 1 1  -16    0   20 o  283.510   15.958  108.184   11.634  108.184   11.634  108.184   11.634  283.510   15.958  283.510   15.958 -0.000000 0.000000 
1 1 1  -16    0   21 o  195.947   20.288   53.766   10.045   53.766   10.045   53.766   10.045  195.947   20.288  195.947   20.288 -0.000000 0.000000 
1 1 1  -16    0   22 o   30.694   21.830  -9.0493   7.4923  -9.0493   7.4923  -9.0493   7.4923   30.694   21.830   30.694   21.830 -0.000000 0.000000 
1 1 1  -16    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16    0   24 o   28.944   20.891 -13.0889   8.0045 -13.0889   8.0045 -13.0889   8.0045   28.944   20.891   28.944   20.891 -0.000000 0.000000 
1 1 1  -16    0   25 o  215.308   20.856   65.881   11.381   65.881   11.381   65.881   11.381  215.308   20.856  215.308   20.856 -0.000000 0.000000 
1 1 1  -16    0   26 o   72.986   38.263   13.177   9.5388   13.177   9.5388   13.177   9.5388   72.986   38.263   72.986   38.263 0.000000 0.000000 
1 1 1  -16    0   27 o  320.233   17.045  141.545   14.047  141.545   14.047  141.545   14.047  320.233   17.045  320.233   17.045 0.000000 0.000000 
1 1 1  -16    0   28 o  212.532   21.809   66.161   11.717   66.161   11.717   66.161   11.717  212.532   21.809  212.532   21.809 -0.000000 0.000000 
1 1 1  -16    0   29 o  158.254   31.123   41.971   11.351   41.971   11.351   41.971   11.351  158.254   31.123  158.254   31.123 0.000000 0.000000 
1 1 1  -16    0   30 o   63.119   37.326   11.332   10.509   11.332   10.509   11.332   10.509   63.119   37.326   63.119   37.326 -0.000000 0.000000 
1 1 1  -16    0   31 o   39.249   27.380  -4.1542   10.117  -4.1542   10.117  -4.1542   10.117   39.249   27.380   39.249   27.380 0.000000 0.000000 
1 1 1  -16    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16    0   33 o   42.655   29.321  -0.3413   10.569  -0.3413   10.569  -0.3413   10.569   42.655   29.321   42.655   29.321 -0.000000 0.000000 
1 1 1  -16    0   34 o  180.447   29.205   56.726   12.578   56.726   12.578   56.726   12.578  180.447   29.205  180.447   29.205 0.000000 0.000000 
1 1 1  -16    0   35 o   48.637   32.493   6.1020   11.245   6.1020   11.245   6.1020   11.245   48.637   32.493   48.637   32.493 -0.000000 0.000000 
1 1 1  -16    0   36 o   42.602   29.469   1.8983   11.086   1.8983   11.086   1.8983   11.086   42.602   29.469   42.602   29.469 -0.000000 0.000000 
1 1 1  -16    1    1 o  352.510   11.733  162.903   10.714   0.0000   0.0000  162.903   10.714  ?   ?   352.510   11.733 0.000000 11.73334 
1 1 1  -16    1    2 o  214.729   9.6598   60.214   5.3729   47.470   8.3282   69.300   7.0321  188.234   17.273  229.585   11.865 -41.35181 20.95594 
1 1 1  -16    1    3 o  386.322   9.7207  194.938   9.7274  212.600   16.522  185.569   12.034  400.610   15.922  375.948   12.358 24.66223 20.15489 
1 1 1  -16    1    4 o  238.383   16.467   75.750   10.106   75.750   10.106   0.0000   0.0000  238.383   16.467  ?   ?  0.000000 16.46741 
1 1 1  -16    1    5 o  262.566   13.275   90.970   8.9995   75.800   13.982  101.700   11.759  235.110   23.264  276.289   16.506 -41.17915 28.52477 
1 1 1  -16    1    6 o  259.520   17.580   90.160   11.748   0.0000   0.0000   90.160   11.748  ?   ?   259.520   17.580 0.000000 17.58037 
1 1 1  -16    1    7 o  134.904   12.608   24.133   4.3548   24.259   6.0640   23.999   6.2576  133.698   17.965  132.712   18.724 0.9860840 25.94799 
1 1 1  -16    1    8 o  245.555   9.7783   78.844   6.2196   73.193   8.9234   84.182   8.6736  234.741   14.750  252.378   13.315 -17.63635 19.87108 
1 1 1  -16    1    9 o  323.661   9.3649  136.912   7.8513  141.277   11.249  132.766   10.963  327.295   13.269  317.251   13.341 10.04364 18.81600 
1 1 1  -16    1   10 f  145.376   13.499   28.134   5.0254   21.683   7.0491   34.801   7.1662  124.317   22.728  160.427   17.530 -36.10970 28.70306 
1 1 1  -16    1   11 o  279.547   9.9083  102.331   7.1747  101.021   10.138  103.645   10.156  275.809   14.239  279.456   14.074 -3.646851 20.02066 
1 1 1  -16    1   12 o  114.697   17.039   17.961   4.9085   20.614   6.8983   15.240   6.9859  120.800   22.883  102.492   26.210 18.30762 34.79414 
1 1 1  -16    1   13 o  218.688   15.831   64.170   8.9072   68.240   11.372   57.710   14.328  223.372   19.861  199.858   28.482 23.51369 34.72299 
1 1 1  -16    1   14 o  305.131   14.825  124.079   11.717  137.500   18.831  115.600   14.968  314.090   23.312  290.607   20.005 23.48254 30.71938 
1 1 1  -16    1   15 o  124.854   16.775   21.310   5.2881   28.278   7.6114   14.808   7.3522  142.030   21.349   99.993   27.519 42.03698 34.82928 
1 1 1  -16    1   16 o  137.479   16.407   25.772   5.7274   22.159   7.9705   29.629   8.2356  122.985   25.841  144.429   22.768 -21.44421 34.44006 
1 1 1  -16    1   17 o   86.376   23.053   10.843   5.2539   13.437   7.6857   8.5673   7.1986   94.640   28.787   79.158   28.047 15.48246 40.19093 
1 1 1  -16    1   18 o  131.941   17.106   23.986   5.7087   13.921   7.9524   34.688   8.2001   95.728   29.315  157.056   20.658 -61.32850 35.86255 
1 1 1  -16    1   19 o   78.443   24.201   8.9472   5.4083   8.3819   7.4256   9.5859   7.8928   78.288   28.395   82.256   29.344 -3.968056 40.83338 
1 1 1  -16    1   20 o  109.072   20.596   17.070   5.6058   29.784   8.0247   4.9529   7.8342  143.826   22.259   69.837   28.146 73.98827 35.88416 
1 1 1  -16    1   21 o  198.783   12.960   53.101   6.6369   55.579   9.5018   50.740   9.2742  199.672   18.585  190.374   19.063 9.297623 26.62315 
1 1 1  -16    1   22 o  142.100   17.028   28.068   6.1430   23.807   8.7271   32.252   8.6484  123.968   27.857  148.365   23.269 -24.39639 36.29655 
1 1 1  -16    1   23 o   82.513   36.654   4.6060   15.679   4.6060   15.679   0.0000   0.0000   82.513   36.654  ?   ?  0.000000 36.65381 
1 1 1  -16    1   24 o  274.167   12.058  100.731   8.5631   93.136   11.747  109.344   12.509  258.245   17.667  280.285   17.314 -22.03986 24.73685 
1 1 1  -16    1   25 o  167.609   16.718   39.280   7.1614   32.810   9.7349   46.911   10.572  145.055   26.899  177.204   23.621 -32.14818 35.79873 
1 1 1  -16    1   26 o  101.073   25.971   16.224   6.8359   18.035   9.4179   14.207   9.9379  102.038   32.011   91.252   32.887 10.78580 45.89457 
1 1 1  -16    1   27 o   48.768   22.230  -1.8845   6.2053   6.8323   8.6153 -11.2812   8.9451   72.265   29.377   47.271   22.986 24.99403 37.30088 
1 1 1  -16    1   28 o   43.840   20.937  -6.3349   6.6637  -4.3259   9.4063  -8.3590   9.4417   55.359   25.965   51.148   24.559 4.211678 35.73936 
1 1 1  -16    1   29 o   89.115   28.168   13.731   7.2792   13.732   10.281   13.730   10.307   86.328   32.991   86.312   33.022 0.1527405E-01 46.67811 
1 1 1  -16    1   30 o  142.999   21.607   31.524   7.7538   36.915   11.103   26.391   10.833  143.790   30.741  115.996   33.914 27.79423 45.77277 
1 1 1  -16    1   31 o  154.876   21.132   37.046   8.2562   34.671   11.509   39.565   11.850  133.983   33.306  145.316   32.317 -11.33269 46.40811 
1 1 1  -16    1   32 o   62.024   30.454 -10.6300   16.860 -10.6300   16.860   0.0000   0.0000   62.024   30.454  ?   ?  0.000000 30.45424 
1 1 1  -16    1   33 o   99.158   29.481   18.873   8.1286   23.378   11.530   14.421   11.461  100.507   35.509   81.745   33.630 18.76171 48.90664 
1 1 1  -16    1   34 o   63.564   27.227   5.7422   7.9998   9.2212   11.177   2.0876   11.455   71.524   31.393   62.481   29.090 9.042645 42.79854 
1 1 1  -16    1   35 f   66.482   27.720   7.7767   7.9335   6.3743   10.848   9.3895   11.633   65.727   29.736   70.169   31.344 -4.442383 43.20501 
1 1 1  -16    1   36 o   57.287   25.867   3.3669   8.1629   26.689   11.578 -19.6840   11.510   99.416   35.533   44.411   22.331 55.00475 41.96695 
1 1 1  -16    2    1 o  251.117   12.032   82.731   7.8266   0.0000   0.0000   82.731   7.8266  ?   ?   251.117   12.032 0.000000 12.03227 
1 1 1  -16    2    2 o   93.203   13.936   11.685   3.2612   3.5030   4.4970   20.761   4.7363   58.154   21.915  124.516   14.986 -66.36217 26.54874 
1 1 1  -16    2    3 o   59.689   20.198   4.5082   3.7148   5.0220   4.3161   3.0400   7.2959   63.287   21.766   66.402   27.018 -3.115391 34.69484 
1 1 1  -16    2    4 o  125.304   12.304   20.808   3.9420   21.040   5.4162   20.548   5.7482  124.682   17.231  122.742   18.668 1.940132 25.40472 
1 1 1  -16    2    5 f  184.001   15.743   45.173   7.4313   55.630   12.634   39.640   9.1892  200.242   24.894  170.203   21.310 30.03899 32.76941 
1 1 1  -16    2    6 o  119.135   14.691   19.027   4.4376   19.465   5.4558   18.170   7.6281  119.479   18.204  112.618   26.577 6.861115 32.21394 
1 1 1  -16    2    7 o  225.968   10.877   66.904   6.3667   67.704   7.8908   65.410   10.777  226.224   13.528  220.074   19.095 6.150116 23.40100 
1 1 1  -16    2    8 o  145.840   17.629   28.785   6.5245   28.785   6.5245   0.0000   0.0000  145.840   17.629  ?   ?  0.000000 17.62894 
1 1 1  -16    2    9 o  468.730   9.2668  287.123   11.251  299.454   16.229  275.710   15.613  476.536   13.147  457.232   13.182 19.30457 18.61788 
1 1 1  -16    2   10 o  364.324   9.3615  173.554   8.8345  174.837   12.568  172.300   12.421  363.898   13.334  361.279   13.273 2.618652 18.81351 
1 1 1  -16    2   11 o  213.125   11.155   59.819   6.1368   63.208   8.6989   56.461   8.6588  217.430   15.548  205.059   16.440 12.37097 22.62734 
1 1 1  -16    2   12 o   93.543   20.624   12.326   4.8627   10.509   6.6291   14.444   7.1548   86.042   26.835   99.584   27.040 -13.54215 38.09562 
1 1 1  -16    2   13 o  223.948   15.598   67.237   8.9920   81.160   11.799   47.950   13.888  244.330   18.788  180.227   30.858 64.10277 36.12721 
1 1 1  -16    2   14 o  242.095   16.231   78.889   10.119   77.740   15.784   79.690   13.186  233.150   26.613  240.025   21.433 -6.874054 34.17063 
1 1 1  -16    2   15 o  199.276   12.623   52.788   6.4824   53.120   9.4336   52.492   8.9227  196.934   18.718  196.296   17.740 0.6385345 25.78890 
1 1 1  -16    2   16 o  113.315   18.686   17.887   5.2934   8.9908   7.2149   28.258   7.7902   80.690   28.119  141.345   21.992 -60.65511 35.69786 
1 1 1  -16    2   17 o  143.750   15.460   28.066   5.6663   29.213   7.9465   26.880   8.0818  143.405   22.103  136.579   23.704 6.826599 32.40986 
1 1 1  -16    2   18 o  155.257   14.500   32.585   5.7638   35.324   8.2753   30.004   8.0326  158.459   20.652  145.072   22.072 13.38701 30.22684 
1 1 1  -16    2   19 o   56.524   22.601   2.8393   5.0082   6.3453   7.0082  -0.8197   7.1596   71.828   27.289   56.016   24.832 15.81223 36.89548 
1 1 1  -16    2   20 o  159.560   14.876   34.626   6.0775   36.250   8.5689   32.983   8.6212  159.505   21.270  151.108   22.730 8.396667 31.12930 
1 1 1  -16    2   21 o  136.652   17.326   25.977   5.9951   33.011   8.5393   19.139   8.4188  150.953   22.528  110.450   29.041 40.50307 36.75454 
1 1 1  -16    2   22 f   68.803   25.327   6.2508   5.9387   18.030   9.4261  -1.5024   7.6474  105.131   31.858   55.981   25.179 49.15020 40.60726 
1 1 1  -16    2   23 o  172.556   22.777   43.538   9.9319   43.538   9.9319   0.0000   0.0000  172.556   22.777  ?   ?  0.000000 22.77701 
1 1 1  -16    2   24 o  165.369   16.507   38.034   6.9762   34.202   9.3850   42.765   10.429  150.469   24.953  168.870   24.562 -18.40105 35.01361 
1 1 1  -16    2   25 o   60.082   24.498   3.4571   6.0143   10.237   8.2149  -4.3742   8.8291   81.555   29.823   54.922   25.560 26.63320 39.27725 
1 1 1  -16    2   26 o  110.343   24.225   18.830   6.7341   10.827   9.3915   27.299   9.6613   82.855   31.563  128.585   29.617 -45.73051 43.28246 
1 1 1  -16    2   27 o   80.862   26.908   10.522   6.5937   2.3711   9.0632   19.687   9.6108   64.457   28.280  105.096   32.235 -40.63877 42.88184 
1 1 1  -16    2   28 o   49.661   22.796  -2.1651   6.6787  -0.8476   9.5523  -3.4249   9.3413   60.057   27.455   56.195   26.199 3.861752 37.94954 
1 1 1  -16    2   29 o  132.535   22.710   27.295   7.5159   23.579   10.755   30.841   10.508  110.111   34.153  131.265   31.337 -21.15472 46.35176 
1 1 1  -16    2   30 o   67.415   26.997   6.5576   7.1572   11.241   10.243   2.0898   10.004   79.633   32.153   63.676   28.705 15.95738 43.10178 
1 1 1  -16    2   31 o   74.181   29.239   9.3653   8.2697   2.7470   13.414   13.423   10.503   68.661   31.799   82.877   32.861 -14.21617 45.72804 
1 1 1  -16    2   32 o   81.018   36.579   13.680   16.319   13.680   16.319   0.0000   0.0000   81.018   36.579  ?   ?  0.000000 36.57906 
1 1 1  -16    2   33 o   45.546   21.795  -5.4218   7.2966  -6.1965   10.800  -4.7712   9.8971   53.933   25.990   53.274   25.463 0.6591949 36.38459 
1 1 1  -16    2   34 o  157.182   22.209   40.280   8.7907   45.645   12.606   35.201   12.265  149.053   33.469  124.082   36.030 24.97154 49.17657 
1 1 1  -16    2   35 o   50.348   23.562  -1.4452   7.6738 -12.6769   10.952   9.3864   10.755   47.868   23.699   69.841   30.721 -21.97297 38.79953 
1 1 1  -16    2   36 o  179.149   23.509   55.830   10.646   66.585   12.639   29.570   19.750  189.655   26.448   83.370   38.602 106.2852 46.79368 
1 1 1  -16    3    1 o  428.813   16.675  244.200   18.522   0.0000   0.0000  244.200   18.522  ?   ?   428.813   16.675 0.000000 16.67476 
1 1 1  -16    3    2 o  109.472   11.956   15.904   3.3352   0.9741   4.3357   37.542   5.2197   49.376   20.532  168.728   12.022 -119.3519 23.79266 
1 1 1  -16    3    3 o  243.725   9.0826   77.523   5.7341   73.009   8.1218   82.009   8.0966  235.115   13.391  249.510   12.568 -14.39551 18.36512 
1 1 1  -16    3    4 o   73.462   17.673   7.4722   3.3221   8.3348   4.3749   6.2974   5.1055   77.336   21.205   69.831   23.678 7.504684 31.78541 
1 1 1  -16    3    5 o  184.662   12.013   44.956   5.7148   42.134   6.9034   51.100   10.187  177.827   15.131  193.773   20.612 -15.94592 25.56909 
1 1 1  -16    3    6 o  168.287   17.714   38.179   7.6058   37.250   12.541   38.720   9.5658  159.913   31.396  167.481   22.629 -7.567429 38.70161 
1 1 1  -16    3    7 o  168.397   12.922   37.551   5.5936   41.098   6.9139   30.830   9.5167  175.442   15.369  147.672   25.819 27.76987 30.04724 
1 1 1  -16    3    8 o  203.658   12.114   54.718   6.3620   53.719   7.8645   56.610   10.822  200.723   15.240  203.635   20.809 -2.912659 25.79258 
1 1 1  -16    3    9 o  136.246   13.745   24.760   4.7845   24.421   6.5305   25.153   7.0296  133.412   19.471  134.926   20.780 -1.514587 28.47705 
1 1 1  -16    3   10 o  149.032   13.263   29.546   5.0665   31.052   6.9609   27.849   7.3884  151.136   18.143  142.026   20.691 9.110062 27.51909 
1 1 1  -16    3   11 o   62.479   21.638   4.9362   4.2692   0.0613   5.7746   10.812   6.3401   53.322   22.991   87.086   26.069 -33.76407 34.75877 
1 1 1  -16    3   12 o  220.870   14.978   65.182   8.5184   69.540   11.061   58.830   13.354  226.061   19.067  203.742   25.889 22.31931 32.15247 
1 1 1  -16    3   13 o   82.143   23.022   9.6215   5.0952   13.658   6.8361   4.5765   7.6424   96.735   26.500   70.138   27.961 26.59669 38.52360 
1 1 1  -16    3   14 o  132.807   18.503   24.294   6.1924   22.009   7.8221   28.130   10.135  123.245   25.348  137.503   29.350 -14.25742 38.78060 
1 1 1  -16    3   15 o   63.158   23.250   4.7424   5.0048   5.6714   6.8362   3.6693   7.3471   70.523   26.913   66.736   27.129 3.787178 38.21394 
1 1 1  -16    3   16 o  156.906   14.859   33.228   5.9674   31.861   8.5074   34.551   8.3726  149.791   22.632  156.930   21.134 -7.138229 30.96548 
1 1 1  -16    3   17 f   58.648   22.837   3.4653   4.9938   5.3628   7.0620   1.5676   7.0625   69.750   27.159   60.707   25.781 9.042747 37.44695 
1 1 1  -16    3   18 o  184.584   13.272   45.685   6.3032   54.398   8.9715   37.190   8.8578  199.030   17.583  161.929   21.661 37.10095 27.89876 
1 1 1  -16    3   19 o  147.548   15.678   29.749   5.9001   36.747   8.2945   22.583   8.3943  161.485   20.276  122.125   27.230 39.35963 33.94986 
1 1 1  -16    3   20 o  216.582   12.434   62.764   6.9464   64.383   9.9037   61.196   9.7457  215.752   17.882  210.169   18.077 5.582947 25.42780 
1 1 1  -16    3   21 o   54.962   22.767   2.0341   5.3018   6.3402   7.4675  -2.3429   7.5288   72.040   27.962   54.348   24.662 17.69244 37.28357 
1 1 1  -16    3   22 o  186.293   19.558   49.051   9.2971   58.030   12.376   37.420   14.086  198.149   24.644  147.143   36.995 51.00568 44.45182 
1 1 1  -16    3   23 o   79.036   26.961   9.3432   6.6198   2.4902   8.3646   20.830   10.829   64.912   27.824  110.328   34.280 -45.41608 44.15066 
1 1 1  -16    3   24 o  120.946   21.303   21.459   6.4302   22.646   9.3492   20.393   8.8582  117.419   30.474  111.644   29.992 5.774544 42.75733 
1 1 1  -16    3   25 o  219.729   13.544   65.748   7.6714   75.445   10.996   56.551   10.708  230.612   18.564  196.788   21.349 33.82405 28.29199 
1 1 1  -16    3   26 o  186.021   15.474   48.112   7.3885   52.837   10.553   43.568   10.348  188.709   22.002  168.906   24.355 19.80325 32.82193 
1 1 1  -16    3   27 o  172.962   16.789   42.390   7.4272   45.935   10.671   39.059   10.344  172.154   24.631  156.745   26.417 15.40878 36.11826 
1 1 1  -16    3   28 o  191.298   15.964   51.699   7.8380   56.134   11.139   47.350   11.031  191.364   22.928  172.749   25.411 18.61540 34.22601 
1 1 1  -16    3   29 o   58.207   24.912   2.7262   6.6877   6.2278   9.4881  -0.7313   9.4279   70.229   29.855   59.146   27.126 11.08312 40.33823 
1 1 1  -16    3   30 o   44.654   21.233  -5.2311   6.6994  -4.6129   9.1927  -5.9314   9.7837   53.218   25.178   53.380   25.459 -0.1619339 35.80620 
1 1 1  -16    3   31 o  109.898   29.352   22.050   8.5136   30.230   13.323   16.405   11.068  114.339   38.253   88.477   34.125 25.86197 51.26239 
1 1 1  -16    3   32 o   53.727   25.971  -7.5076   10.990  -4.0590   17.538  -9.7370   14.102   66.562   32.325   58.095   28.384 8.466732 43.01793 
1 1 1  -16    3   33 o   83.728   29.622   13.800   8.0270   21.910   11.267   5.4394   11.439   97.203   35.019   67.374   30.503 29.82891 46.44079 
1 1 1  -16    3   34 o   96.235   32.135   20.131   9.4020   25.059   11.485   10.120   16.370  101.623   35.474   73.454   34.388 28.16892 49.40580 
1 1 1  -16    3   35 o   62.112   27.814   5.0423   9.2199   11.438   11.267  -7.9220   16.041   72.663   31.715   58.690   28.987 13.97325 42.96613 
1 1 1  -16    3   36 o   83.597   35.921   22.529   14.003   15.070   20.839   28.670   18.908   71.814   34.958   83.028   38.203 -11.21432 51.78351 
1 1 1  -16    4    1 o  156.020   10.911   32.029   4.3818   0.0000   0.0000   32.029   4.3818  ?   ?   156.020   10.911 0.000000 10.91102 
1 1 1  -16    4    2 o   83.174   20.006   9.6516   4.2575   6.3960   10.504   10.292   4.6572   82.412   32.803   85.720   21.113 -3.308220 39.01084 
1 1 1  -16    4    3 o   95.748   13.738   12.318   3.3095   8.4075   4.2824   18.118   5.2149   77.630   20.853  115.245   18.063 -37.61475 27.58830 
1 1 1  -16    4    4 o  179.562   10.294   42.320   4.7681   42.507   6.6052   42.117   6.8900  178.843   14.380  177.782   15.105 1.061020 20.85493 
1 1 1  -16    4    5 o   77.559   18.295   8.3546   3.6160   11.363   4.8594   4.6224   5.4129   89.995   21.196   64.685   24.108 25.30978 32.10088 
1 1 1  -16    4    6 o  310.051   22.305  131.300   17.794  131.300   17.794   0.0000   0.0000  310.051   22.305  ?   ?  0.000000 22.30506 
1 1 1  -16    4    7 o   88.160   18.293   10.768   4.0406   11.761   5.5020   9.6048   5.9531   91.083   23.243   82.890   25.361 8.193161 34.40061 
1 1 1  -16    4    8 o  143.481   15.040   27.579   5.5066   25.245   6.6241   32.800   9.9072  135.726   19.393  152.026   26.098 -16.29994 32.51468 
1 1 1  -16    4    9 o  229.587   11.808   69.490   6.9984   67.648   8.4481   73.520   12.494  225.494   14.541  231.861   21.032 -6.366089 25.56887 
1 1 1  -16    4   10 o  218.171   11.033   62.659   6.2145   64.232   8.6512   60.982   8.9330  219.275   15.328  213.207   16.299 6.068497 22.37363 
1 1 1  -16    4   11 o   77.217   22.632   8.3832   4.8194   14.770   6.7695   1.8195   6.8626  100.974   25.790   61.470   25.719 39.50352 36.42234 
1 1 1  -16    4   12 o  228.280   12.829   69.088   7.5552   59.642   9.0929   90.150   13.578  210.287   16.834  256.387   20.619 -46.10005 26.61850 
1 1 1  -16    4   13 o   42.220   19.077  -1.9945   4.4489 -11.2368   6.0746   8.6982   6.5338   37.540   18.402   79.506   26.787 -41.96585 32.49895 
1 1 1  -16    4   14 o   64.167   24.113   4.6778   5.4371   1.6522   6.5800   11.190   9.6534   59.691   25.091   89.893   32.411 -30.20245 40.98811 
1 1 1  -16    4   15 o  116.470   19.191   18.930   5.5880   17.128   7.7279   20.905   8.0898  107.102   27.662  118.852   26.904 -11.75007 38.58764 
1 1 1  -16    4   16 o  129.088   17.461   22.961   5.6887   28.142   7.8053   17.091   8.3084  140.766   22.137  106.011   29.286 34.75542 36.71140 
1 1 1  -16    4   17 o  220.397   11.892   64.572   6.7641   65.241   9.8159   63.968   9.3341  218.323   17.504  216.649   16.763 1.673996 24.23657 
1 1 1  -16    4   18 o   86.972   23.395   11.121   5.3856   7.2366   7.4378   15.401   7.8086   75.152   28.211  100.239   28.644 -25.08705 40.20338 
1 1 1  -16    4   19 o  114.827   19.802   18.734   5.6770   18.660   8.3438   18.798   7.7463  109.672   28.947  111.084   27.150 -1.411140 39.68739 
1 1 1  -16    4   20 o   82.961   24.537   10.252   5.6419   12.933   8.0931   7.7170   7.8694   91.483   29.780   76.490   28.951 14.99329 41.53307 
1 1 1  -16    4   21 o   64.596   24.178   5.1922   5.4556  -3.2923   7.3845   15.388   8.0951   52.282   23.989   98.693   29.438 -46.41065 37.97413 
1 1 1  -16    4   22 o  126.586   23.455   23.756   7.4077   31.618   9.0945   8.2570   12.769  145.223   25.083   83.777   35.070 61.44643 43.11703 
1 1 1  -16    4   23 o   67.058   26.532   5.1884   6.8332   0.4939   8.2558   15.400   12.176   60.873   26.840   96.066   36.089 -35.19336 44.97546 
1 1 1  -16    4   24 o   66.380   25.492   5.5730   6.1572   10.257   8.7339   0.9447   8.6814   82.220   30.628   62.472   27.536 19.74827 41.18576 
1 1 1  -16    4   25 o   74.283   26.120   8.2505   6.2323   8.8129   8.7607   7.6743   8.8679   78.015   30.285   75.501   30.113 2.513245 42.70813 
1 1 1  -16    4   26 o  137.851   20.519   27.974   7.1034   25.800   10.225   30.001   9.8759  121.927   31.978  135.081   29.085 -13.15425 43.22653 
1 1 1  -16    4   27 o   66.378   26.057   5.8398   6.5424   11.302   9.4592   0.8309   9.0585   82.523   31.619   61.653   27.591 20.87077 41.96480 
1 1 1  -16    4   28 o   58.802   25.119   2.7209   6.7761   2.8471   9.1325   2.5663   10.107   64.342   28.305   65.795   29.316 -1.453690 40.75085 
1 1 1  -16    4   29 o   54.501   24.080   0.9661   6.6787  -2.0071   9.2966   4.1371   9.6009   56.997   26.424   66.545   29.154 -9.547443 39.34697 
1 1 1  -16    4   30 o   57.276   24.848   2.4263   6.8294   1.1234   9.2653   3.9762   10.106   60.523   27.422   66.244   29.427 -5.720261 40.22362 
1 1 1  -16    4   31 o  101.485   32.890   20.911   9.8768   19.530   12.506   23.200   16.101   92.684   36.127   94.351   39.428 -1.666817 53.47666 
1 1 1  -16    4   32 o   79.695   33.664   12.980   11.938   6.7310   17.916   17.970   16.010   74.246   35.134   85.332   37.509 -11.08623 51.39383 
1 1 1  -16    4   33 o  144.314   26.225   36.227   9.4421   33.796   11.211   42.160   17.514  127.834   33.465  116.477   43.375 11.35747 54.78344 
1 1 1  -16    4   34 o   46.378   22.556  -7.7717   8.6241 -13.7826   10.281   6.5010   15.842   46.034   22.821   69.663   32.986 -23.62939 40.11069 
1 1 1  -16    4   35 o   96.287   32.462   21.472   9.5956   17.885   11.471   29.830   17.510   82.936   33.827   89.781   39.352 -6.845177 51.89278 
1 1 1  -16    5    1 o   59.116   16.741   4.7745   2.6798  -7.5000   10.152   5.6938   2.7783   58.972   27.433   64.256   16.581 -5.283787 32.05433 
1 1 1  -16    5    2 o  155.028   11.317   31.678   4.5130   26.590   11.906   32.531   4.8769  133.384   34.275  156.924   12.091 -23.53969 36.34506 
1 1 1  -16    5    3 o  113.785   18.232   17.704   5.1922   7.4760   11.294   20.445   5.8467   86.123   34.099  122.164   19.102 -36.04023 39.08476 
1 1 1  -16    5    4 o  218.413   9.8593   62.385   5.5780   58.449   7.7829   66.542   7.9983  209.804   14.409  224.124   13.845 -14.31995 19.98225 
1 1 1  -16    5    5 o   65.979   24.354   4.9707   5.4972   0.0000   0.0000   4.9707   5.4972  ?   ?    65.979   24.354 0.000000 24.35373 
1 1 1  -16    5    6 o  381.746   10.891  191.074   10.769  177.200   20.567  196.315   12.641  360.220   22.149  386.129   12.638 -25.90948 25.50117 
1 1 1  -16    5    7 o  169.726   11.541   38.007   5.0438   38.869   7.2304   37.190   7.0395  170.005   16.632  166.284   16.564 3.720047 23.47316 
1 1 1  -16    5    8 f  286.955   13.646  108.835   10.143   0.0000   0.0000  108.835   10.143  ?   ?   286.955   13.646 0.000000 13.64553 
1 1 1  -16    5    9 o  241.220   11.917   76.582   7.4464   76.869   8.9338   75.930   13.478  240.387   14.414  234.589   22.454 5.798798 26.68255 
1 1 1  -16    5   10 o   47.927   20.770  -0.2496   4.7618  -5.9934   5.4676   17.790   9.6897   40.843   19.351  109.087   32.125 -68.24383 37.50323 
1 1 1  -16    5   11 o  106.165   22.654   16.032   6.0400   23.900   7.4380   0.7972   10.350  130.110   22.906   70.502   30.587 59.60813 38.21374 
1 1 1  -16    5   12 o  135.999   14.897   24.911   5.1621   32.103   7.0981   16.838   7.5208  153.220   18.243  107.045   27.098 46.17498 32.66679 
1 1 1  -16    5   13 o  155.340   14.081   32.342   5.6044   34.369   7.9174   30.307   7.9343  157.673   19.824  147.158   21.445 10.51541 29.20411 
1 1 1  -16    5   14 o  188.772   15.031   47.933   7.2888   49.741   9.1013   44.700   12.171  190.435   18.691  174.785   27.815 15.64917 33.51202 
1 1 1  -16    5   15 o  244.379   11.313   78.869   7.1610   75.796   10.056   82.031   10.200  236.503   16.519  246.363   16.072 -9.860565 23.04701 
1 1 1  -16    5   16 o  146.127   15.877   29.081   5.9129   33.876   8.0597   23.491   8.7015  155.433   20.520  125.230   27.571 30.20348 34.36906 
1 1 1  -16    5   17 o  125.442   17.678   21.822   5.5848   27.326   8.0700   16.762   7.7368  137.444   23.512  104.969   27.955 32.47473 36.52826 
1 1 1  -16    5   18 o  144.037   16.012   28.418   5.8731   37.057   8.1939   19.292   8.4223  162.446   19.888  111.781   28.882 50.66489 35.06699 
1 1 1  -16    5   19 o  156.641   15.604   33.548   6.2470   31.740   9.1114   35.152   8.5816  146.695   24.867  156.690   21.728 -9.995178 33.02214 
1 1 1  -16    5   20 o   67.632   24.434   6.0676   5.4904   10.243   7.5746   1.4451   7.9696   83.094   28.819   62.449   26.967 20.64460 39.46889 
1 1 1  -16    5   21 o   46.897   21.928  -4.8392   6.6214  -3.2170   7.9791  -8.4270   11.866   54.471   24.972   60.406   28.587 -5.935322 37.95798 
1 1 1  -16    5   22 o  170.981   16.290   40.425   7.1276   28.963   9.8767   52.883   10.296  135.524   29.010  191.870   21.063 -56.34520 35.85077 
1 1 1  -16    5   23 o   63.305   26.100   3.6433   6.9215   3.8102   8.5499   3.3260   11.790   67.636   28.525   73.584   32.271 -5.947876 43.07079 
1 1 1  -16    5   24 o   72.442   26.228   7.5560   6.3314   10.052   8.7545   4.8187   9.1679   81.451   30.600   70.429   29.612 11.02187 42.58199 
1 1 1  -16    5   25 o  259.936   12.951   91.556   8.7201   85.239   12.052   98.495   12.632  243.875   19.235  262.952   18.668 -19.07660 26.80416 
1 1 1  -16    5   26 o  199.323   15.354   55.324   7.8665   53.377   10.897   57.443   11.368  188.185   22.822  195.149   22.925 -6.964066 32.34799 
1 1 1  -16    5   27 o  251.058   13.434   86.611   8.7046   92.856   12.503   80.736   12.126  252.520   19.259  234.138   20.192 18.38208 27.90397 
1 1 1  -16    5   28 o  170.069   18.061   42.053   7.8345   43.729   10.951   40.295   11.213  163.628   26.763  154.042   29.170 9.586563 39.58665 
1 1 1  -16    5   29 o   89.385   28.415   14.143   7.3991   2.7191   10.303   26.308   10.632   65.264   29.301  116.655   33.452 -51.39153 44.47024 
1 1 1  -16    5   30 o   38.246   18.852 -11.0584   6.6677  -5.6781   9.2083 -16.9890   9.6676   51.808   24.706   43.833   21.797 7.974949 32.94750 
1 1 1  -16    5   31 o  100.803   31.005   19.774   8.8845   13.383   11.004   31.740   15.058   81.568   33.184  110.506   40.381 -28.93707 52.26709 
1 1 1  -16    5   32 o   60.552   29.638  -8.7380   15.585  -8.7380   15.585   0.0000   0.0000   60.552   29.638  ?   ?  0.000000 29.63772 
1 1 1  -16    5   33 o   60.671   27.156   3.4031   8.7785   3.5386   10.878   3.1500   14.866   63.695   29.185   67.303   31.893 -3.608315 43.23080 
1 1 1  -16    5   34 o  104.567   31.597   23.278   9.2818   27.545   11.569   15.570   15.549  105.859   35.645   77.741   35.341 28.11839 50.19470 
1 1 1  -16    5   35 o   38.954   19.310 -11.3571   7.3581  -7.0726   10.198 -16.0102   10.627   49.732   24.263   44.631   22.298 5.100414 32.95275 
1 1 1  -16    6    1 o  130.999   10.580   22.619   3.5593   37.360   11.317   21.000   3.7496  161.730   28.029  125.964   11.623 35.76611 30.34313 
1 1 1  -16    6    2 o  191.375   10.348   48.087   5.1108   63.230   13.472   45.541   5.5237  213.177   24.865  185.920   11.526 27.25684 27.40662 
1 1 1  -16    6    3 o  278.687   9.5414  101.533   6.8878  104.000   16.360  101.002   7.5935  275.051   23.179  277.668   10.558 -2.616791 25.47015 
1 1 1  -16    6    4 o  253.242   9.9747   83.923   6.5432   71.720   15.741   86.472   7.1941  225.297   27.547  256.828   10.814 -31.53078 29.59397 
1 1 1  -16    6    5 o   93.807   16.032   12.008   3.7556   14.809   5.0557   8.5596   5.6098  103.311   19.609   78.700   24.709 24.61138 31.54426 
1 1 1  -16    6    6 o  297.115   11.615  116.009   8.9391  118.200   18.029  115.295   10.293  292.267   24.027  295.472   13.449 -3.204956 27.53500 
1 1 1  -16    6    7 o   50.447   19.548   2.3350   3.6452   1.2863   4.7646   3.8152   5.6605   52.017   21.568   62.697   24.342 -10.68018 32.52265 
1 1 1  -16    6    8 o  197.213   11.092   51.240   5.6433   54.814   8.0794   47.834   7.8858  202.390   15.530  188.682   16.295 13.70830 22.50991 
1 1 1  -16    6    9 o  151.695   13.064   30.619   5.0831   31.674   6.9995   29.442   7.3939  152.506   18.070  146.150   20.060 6.356201 26.99868 
1 1 1  -16    6   10 o  194.398   19.156   51.590   9.5206   51.590   9.5206   0.0000   0.0000  194.398   19.156  ?   ?  0.000000 19.15595 
1 1 1  -16    6   11 o  186.151   14.222   46.301   6.8057   41.332   7.8988   60.620   13.409  174.335   17.739  206.588   25.606 -32.25278 31.14996 
1 1 1  -16    6   12 o  147.363   16.815   29.536   6.3034   28.755   7.4618   31.480   11.779  143.696   20.639  143.755   32.406 -0.5848694E-01 38.42066 
1 1 1  -16    6   13 o   82.355   21.966   9.7202   4.7722   8.2409   6.3777   11.602   7.1934   77.516   26.464   89.191   27.976 -11.67530 38.50947 
1 1 1  -16    6   14 o   57.387   23.179   2.5993   5.3253   0.8299   6.3740   6.6890   9.6906   56.893   24.335   78.935   31.480 -22.04204 39.78934 
1 1 1  -16    6   15 o  135.169   15.688   24.880   5.3907   25.054   7.6250   24.707   7.6223  132.078   23.130  131.045   23.309 1.033188 32.83806 
1 1 1  -16    6   16 o   90.106   23.481   11.906   5.5359   13.237   7.9067   10.626   7.7535   93.558   29.328   85.504   29.179 8.054626 41.37043 
1 1 1  -16    6   17 o  141.132   16.083   27.285   5.7747   25.312   8.3368   29.105   8.0065  130.750   25.531  142.356   22.457 -11.60631 34.00280 
1 1 1  -16    6   18 o  186.527   13.279   46.773   6.3742   51.825   8.9360   41.540   9.0949  193.489   18.037  171.180   20.949 22.30890 27.64399 
1 1 1  -16    6   19 o  134.461   17.799   25.234   6.0468   25.280   8.4801   25.187   8.6247  129.506   26.179  128.902   26.709 0.6042786 37.39933 
1 1 1  -16    6   20 o   39.617   18.757  -5.1245   5.1193  -6.6215   6.7744  -3.1314   7.8166   45.200   21.451   54.092   24.768 -8.891834 32.76593 
1 1 1  -16    6   21 o   78.138   28.752   8.6930   7.6529  -4.8160   10.052   27.320   11.803   58.935   27.376  126.582   34.881 -67.64690 44.34090 
1 1 1  -16    6   22 o   58.422   24.151   2.7112   5.9481   9.4361   7.9937  -5.6317   8.9035   80.091   29.398   54.069   25.328 26.02135 38.80434 
1 1 1  -16    6   23 o  163.077   19.939   38.217   8.2472   40.312   10.067   33.940   14.382  163.655   24.501  134.867   38.973 28.78714 46.03482 
1 1 1  -16    6   24 o  203.308   14.987   56.971   7.8368   55.163   11.154   58.734   11.013  192.749   22.781  200.215   21.576 -7.466034 31.37664 
1 1 1  -16    6   25 o  115.766   24.435   20.794   7.0971   17.382   9.6759   24.766   10.441   99.370   32.573  118.612   32.856 -19.24282 46.26522 
1 1 1  -16    6   26 o   88.779   27.174   12.992   6.8338   9.1835   9.3921   17.277   9.9620   77.923   31.019   97.522   33.075 -19.59905 45.34455 
1 1 1  -16    6   27 o  141.316   20.890   29.992   7.4163   31.878   10.265   27.933   10.727  136.406   29.878  123.584   32.919 12.82220 44.45625 
1 1 1  -16    6   28 o  129.290   31.833   30.387   10.590   30.387   10.590   0.0000   0.0000  129.290   31.833  ?   ?  0.000000 31.83328 
1 1 1  -16    6   29 o   59.910   25.664   3.3414   7.1092   5.3786   9.7159   0.9938   10.430   68.130   29.597   62.799   28.701 5.330776 41.22803 
1 1 1  -16    6   30 o  108.092   33.188   23.520   10.185   42.510   13.474  -1.7930   15.556  143.681   36.215   66.905   31.963 76.77615 48.30245 
1 1 1  -16    6   31 o   54.179   25.049  -1.0550   8.2709   3.9777   9.9362 -12.4100   14.925   64.563   28.895   57.761   28.419 6.802116 40.52875 
1 1 1  -16    6   32 o   62.751   30.944  -9.6110   18.031  -9.6110   18.031   0.0000   0.0000   62.751   30.944  ?   ?  0.000000 30.94440 
1 1 1  -16    6   33 f   60.935   26.503   4.5786   7.8089   12.933   10.623  -5.2414   11.518   77.523   32.180   55.291   26.694 22.23267 41.81034 
1 1 1  -16    6   34 o   44.564   21.520  -5.9625   7.4964  -1.2552   10.606 -10.6620   10.597   56.393   26.786   48.442   23.856 7.951435 35.86878 
1 1 1  -16    6   35 o   60.249   26.489   5.3072   7.9877   21.477   11.268 -11.0274   11.325   88.756   34.376   48.821   24.158 39.93422 42.01554 
1 1 1  -16    7    1 o  135.777   11.220   24.355   3.9109   24.410   11.642   24.348   4.1522  127.148   34.479  135.582   11.945 -8.433670 36.48984 
1 1 1  -16    7    2 o  105.287   14.995   14.974   3.9739   16.280   11.961   14.812   4.2132  106.100   36.241  104.387   16.099 1.712448 39.65631 
1 1 1  -16    7    3 o  246.181   9.8910   79.324   6.3073  105.800   16.398   74.727   6.8330  277.162   23.050  238.629   11.054 38.53316 25.56348 
1 1 1  -16    7    4 o  117.274   15.535   18.574   4.6031   23.050   13.929   18.025   4.8771  122.340   38.998  115.093   16.859 7.247414 42.48585 
1 1 1  -16    7    5 o  172.865   15.401   40.015   6.8241   50.960   14.531   36.919   7.7294  186.770   31.132  164.832   18.418 21.93834 36.17191 
1 1 1  -16    7    6 o   94.402   21.779   12.608   5.2172   15.710   13.412   12.056   5.6633  105.302   38.167   91.878   23.655 13.42432 44.90251 
1 1 1  -16    7    7 o  125.758   13.923   21.186   4.4594   19.332   6.0789   23.345   6.5617  117.768   20.682  129.887   20.156 -12.11856 28.87938 
1 1 1  -16    7    8 o  252.831   10.314   83.858   6.7547   86.134   9.7107   81.725   9.4020  254.127   14.816  247.561   14.728 6.566681 20.89133 
1 1 1  -16    7    9 o  134.286   16.791   24.512   5.7128   25.460   7.4873   23.190   8.8379  134.634   22.247  125.768   27.862 8.866348 35.65420 
1 1 1  -16    7   10 o  268.853   10.248   94.900   7.1369   93.039   9.8948   96.918   10.304  264.044   14.523  269.341   14.826 -5.296692 20.75399 
1 1 1  -16    7   11 o  128.403   18.466   22.732   5.9651   17.591   6.8389   39.080   12.197  110.216   24.580  162.157   30.147 -51.94073 38.89753 
1 1 1  -16    7   12 o  147.547   16.455   29.605   6.1820   25.150   7.2518   41.450   11.825  133.542   21.710  168.063   28.160 -34.52141 35.55729 
1 1 1  -16    7   13 o  155.494   16.685   32.950   6.6154   25.675   7.8684   50.490   12.218  133.793   23.565  186.970   25.926 -53.17676 35.03530 
1 1 1  -16    7   14 o  194.442   20.062   52.533   9.9594   68.700   16.139   42.590   12.657  214.436   29.867  167.996   30.195 46.44080 42.47076 
1 1 1  -16    7   15 o  367.584   9.9887  177.926   9.5108  182.633   13.754  173.613   13.166  369.168   14.383  360.161   14.112 9.006531 20.15040 
1 1 1  -16    7   16 o   69.154   24.021   6.4662   5.2632   12.630   7.4683   0.3845   7.4186   91.417   28.478   59.241   25.799 32.17593 38.42638 
1 1 1  -16    7   17 o  125.550   18.633   22.106   5.8758   16.130   8.3317   28.019   8.2877  101.723   29.742  138.451   23.978 -36.72794 38.20351 
1 1 1  -16    7   18 o  214.527   12.417   61.599   6.8705   58.883   9.7520   64.275   9.6811  205.745   18.496  215.806   17.468 -10.06064 25.44106 
1 1 1  -16    7   19 o  147.344   15.831   29.857   5.9474   29.806   8.2267   29.914   8.6079  142.847   23.015  142.271   24.226 0.5754700 33.41550 
1 1 1  -16    7   20 o   85.267   28.070   11.130   7.1826   11.680   9.5087   10.400   10.961   87.566   32.075   85.784   33.710 1.781990 46.53180 
1 1 1  -16    7   21 o  144.008   26.240   31.630   9.4276   0.0000   0.0000   31.630   9.4276  ?   ?   144.008   26.240 0.000000 26.24019 
1 1 1  -16    7   22 o  126.614   20.551   23.281   6.5089   20.591   8.9212   26.342   9.5178  112.216   30.079  128.086   29.320 -15.87063 42.00478 
1 1 1  -16    7   23 o   63.281   28.707  -0.9985   10.191   5.2600   15.984  -5.2850   13.228   81.751   36.614   65.582   30.769 16.16885 47.82576 
1 1 1  -16    7   24 o  138.987   19.877   28.106   6.9522   23.953   9.5879   32.709   10.095  119.074   30.840  142.612   28.327 -23.53785 41.87512 
1 1 1  -16    7   25 o   43.366   20.691  -6.3478   6.4751  -8.3724   9.1157  -4.2859   9.1993   50.612   24.256   55.392   25.883 -4.779541 35.47231 
1 1 1  -16    7   26 o   80.961   27.282   10.749   6.7772   13.736   9.4718   7.6143   9.7013   88.136   32.054   74.475   30.820 13.66087 44.46700 
1 1 1  -16    7   27 o   85.135   27.592   12.324   6.9510   24.841   9.5763  -1.6148   10.106  117.873   30.964   59.902   27.693 57.97106 41.54063 
1 1 1  -16    7   28 o  155.383   22.673   37.652   8.8568   38.406   10.818   36.120   15.424  149.310   29.017  123.898   41.150 25.41187 50.35143 
1 1 1  -16    7   29 o   81.309   29.836   12.078   8.2323   8.7427   10.043   18.910   14.372   73.924   31.033   90.837   37.545 -16.91261 48.70995 
1 1 1  -16    7   30 o   85.975   32.294   14.950   9.7494   15.760   12.730   13.800   15.163   85.087   35.265   81.568   36.149 3.519745 50.50108 
1 1 1  -16    7   31 o   81.953   30.701   13.322   8.8004   14.970   10.798   10.060   15.187   83.652   33.272   75.771   34.631 7.880608 48.02414 
1 1 1  -16    7   32 o   67.249   30.519   5.6697   11.532   15.340   17.075  -2.4410   15.638   79.682   36.530   63.890   30.908 15.79224 47.85123 
1 1 1  -16    7   33 o   48.988   23.129  -2.8296   7.6851   4.1499   10.702 -10.2611   11.043   63.303   28.984   50.109   24.613 13.19395 38.02453 
1 1 1  -16    7   34 o   41.022   20.206  -9.9271   7.6143 -11.1589   10.831  -8.7235   10.706   48.273   23.838   49.726   24.386 -1.453766 34.10171 
1 1 1  -16    7   35 o   81.545   29.271   14.872   7.8652   25.976   11.088   3.6254   11.159   98.220   34.808   60.244   28.263 37.97601 44.83734 
1 1 1  -16    8    1 o   94.274   14.551   12.040   3.4389   19.080   12.149   11.426   3.5856  112.613   36.475   91.478   15.697 21.13499 39.70958 
1 1 1  -16    8    2 o  106.114   15.252   15.247   4.0718   6.2950   12.700   16.273   4.2988   86.009   35.394  109.590   15.582 -23.58135 38.67263 
1 1 1  -16    8    3 o  228.246   10.424   68.315   6.1631   55.100   15.854   70.667   6.6892  192.856   32.917  231.942   11.134 -39.08571 34.74930 
1 1 1  -16    8    4 o   78.740   20.368   8.7253   4.1856   27.610   13.705   6.7826   4.3956  132.845   37.943   70.288   21.840 62.55737 43.77936 
1 1 1  -16    8    5 o  212.289   14.125   59.993   7.7231   54.470   16.036   61.661   8.8124  190.849   33.669  214.430   15.980 -23.58099 37.26857 
1 1 1  -16    8    6 o  156.558   13.673   32.694   5.4894   13.360   15.048   35.661   5.8956  101.765   39.639  163.424   14.064 -61.65912 42.06043 
1 1 1  -16    8    7 o  466.269   13.304  287.790   16.068   0.0000   0.0000  287.790   16.068  ?   ?   466.269   13.304 0.000000 13.30381 
1 1 1  -16    8    8 o  469.466   12.500  291.186   15.201  280.600   20.849  303.200   22.211  456.423   17.634  473.970   18.091 -17.54672 25.26375 
1 1 1  -16    8    9 o  217.341   11.059   62.329   6.2057   56.831   8.8094   67.745   8.7432  205.080   16.729  224.854   15.099 -19.77396 22.53539 
1 1 1  -16    8   10 f  192.660   11.854   49.185   5.8871   50.821   8.1923   47.437   8.4656  193.853   16.471  186.624   17.725 7.229065 24.19640 
1 1 1  -16    8   11 o  212.994   11.502   60.047   6.3223   67.686   8.9619   52.479   8.9205  224.240   15.524  196.171   17.747 28.06963 23.57905 
1 1 1  -16    8   12 o   88.479   21.517   11.247   4.8840   17.120   6.6614   4.4199   7.1821  108.372   24.327   67.910   27.096 40.46162 36.41383 
1 1 1  -16    8   13 o   57.589   23.680   2.2549   5.6788   4.9301   6.5662  -5.6840   11.311   67.463   26.210   63.258   29.263 4.205303 39.28487 
1 1 1  -16    8   14 o   88.411   31.477   11.293   9.0774   5.7950   14.148   15.140   11.834   84.912   36.285   99.466   35.882 -14.55419 51.03093 
1 1 1  -16    8   15 o  103.917   21.482   15.573   5.5915   10.869   7.6754   20.894   8.1622   85.933   29.033  117.552   27.325 -31.61849 39.86907 
1 1 1  -16    8   16 o  166.794   14.747   37.742   6.3058   36.750   8.9483   38.721   8.8876  160.202   22.157  165.086   21.279 -4.883575 30.71999 
1 1 1  -16    8   17 o  103.267   22.157   15.595   5.7494   13.863   8.2607   17.221   8.0070   94.374   30.026  105.206   28.621 -10.83247 41.48209 
1 1 1  -16    8   18 f   66.586   24.218   5.8119   5.4068   7.8594   7.4706   3.5597   7.8351   76.074   28.329   66.294   27.587 9.779900 39.54177 
1 1 1  -16    8   19 o   54.318   23.224   1.0962   5.8012   10.350   8.5356  -6.8478   7.9085   83.585   30.424   49.362   23.353 34.22347 38.35385 
1 1 1  -16    8   20 o  228.064   26.558   78.650   15.395   0.0000   0.0000   78.650   15.395  ?   ?   228.064   26.558 0.000000 26.55800 
1 1 1  -16    8   21 o  174.729   15.778   42.166   7.0641   42.188   9.5281   42.140   10.527  169.848   22.187  167.233   25.073 2.614960 33.48040 
1 1 1  -16    8   22 o  100.539   24.356   15.545   6.2759   11.272   8.2351   21.465   9.6931   84.579   29.995  112.686   31.814 -28.10753 43.72440 
1 1 1  -16    8   23 o   88.198   33.214   12.826   10.326   8.7050   15.187   16.370   14.083   84.427   36.836   95.696   38.017 -11.26980 52.93575 
1 1 1  -16    8   24 o   88.233   26.579   12.564   6.5752   13.642   8.9860   11.323   9.6466   89.552   31.371   83.677   31.962 5.874886 44.78507 
1 1 1  -16    8   25 o   63.543   25.447   4.8744   6.3597   4.7057   8.7644   5.0619   9.2427   67.776   28.749   69.290   29.462 -1.513466 41.16396 
1 1 1  -16    8   26 o   99.050   27.128   16.461   7.1651   16.320   10.239   16.596   10.030   93.248   33.406   94.170   33.134 -0.9229355 47.05112 
1 1 1  -16    8   27 o   57.369   25.559   1.0002   7.6797   2.4239   9.3483  -1.9550   13.469   63.453   28.239   65.661   30.883 -2.207287 41.84789 
1 1 1  -16    8   28 o   82.025   29.691   12.158   8.1130   17.267   10.014   2.3980   13.841   93.161   33.072   69.544   32.241 23.61679 46.18676 
1 1 1  -16    8   29 o  194.117   22.473   59.502   11.091   71.990   15.055   44.680   16.402  201.030   29.815  133.650   42.288 67.38071 51.74119 
1 1 1  -16    8   30 o   98.494   30.249   18.775   8.4599   16.571   10.202   23.630   15.138   88.428   33.070   94.518   38.740 -6.090050 50.93520 
1 1 1  -16    8   31 o   78.458   28.691   11.722   7.6034   21.561   10.615   1.3545   10.896   98.154   34.112   61.631   28.585 36.52282 44.50530 
1 1 1  -16    8   32 o   59.723   28.433  -1.2995   12.088   8.9360   18.324  -9.1850   16.083   73.195   34.890   59.528   29.330 13.66685 45.58030 
1 1 1  -16    8   33 o   50.711   23.500  -0.6241   7.3428   3.5843   10.713  -4.3529   10.084   61.982   28.605   52.519   25.259 9.463757 38.16092 
1 1 1  -16    8   34 o   68.287   28.011   9.2607   7.9222   19.250   11.154  -0.9082   11.254   84.841   33.793   56.620   27.087 28.22060 43.30928 
1 1 1  -16    9    1 o  220.029   9.7256   63.419   5.5430   72.180   15.120   62.059   5.9578  225.646   26.365  217.432   10.578 8.214523 28.40816 
1 1 1  -16    9    2 o  204.146   10.423   54.826   5.4935   70.670   15.094   52.407   5.8981  222.988   26.660  199.251   11.476 23.73628 29.02497 
1 1 1  -16    9    3 o  247.821   10.018   80.523   6.4310  111.300   17.674   75.826   6.9043  282.167   24.422  240.152   11.099 42.01434 26.82561 
1 1 1  -16    9    4 o  238.536   10.429   74.692   6.4438   85.650   17.064   72.870   6.9591  244.893   27.368  235.296   11.418 9.597733 29.65432 
1 1 1  -16    9    5 o  298.298   11.798  117.282   9.1159   73.090   18.861  130.751   10.413  220.339   34.152  314.486   12.783 -94.14691 36.46616 
1 1 1  -16    9    6 o  272.724   13.494   98.609   9.5329   0.0000   0.0000   98.609   9.5329  ?   ?   272.724   13.494 0.000000 13.49429 
1 1 1  -16    9    7 o  190.602   17.033   49.212   8.3207   33.120   16.146   55.030   9.7092  141.593   41.405  200.639   18.905 -59.04604 45.51636 
1 1 1  -16    9    8 o  259.978   12.847   89.528   8.6516   70.970   18.030   95.080   9.8610  216.874   33.147  266.852   14.318 -49.97833 36.10715 
1 1 1  -16    9    9 o  276.972   10.189  100.830   7.3102   91.873   10.307  109.895   10.369  261.609   15.277  287.334   13.932 -25.72412 20.67563 
1 1 1  -16    9   10 o  123.177   15.704   20.659   4.8965   14.359   6.7818   27.519   7.0772   98.604   26.132  140.495   20.012 -41.89089 32.91458 
1 1 1  -16    9   11 o  148.457   14.415   29.711   5.4735   28.373   7.7399   31.050   7.7415  141.608   21.800  148.877   20.629 -7.269577 30.01314 
1 1 1  -16    9   12 o  131.699   15.607   23.633   5.2207   27.582   7.5333   19.984   7.2417  139.523   21.538  116.799   24.708 22.72345 32.77723 
1 1 1  -16    9   13 o   92.904   22.284   12.549   5.2937   20.653   7.4594   4.3266   7.5136  118.329   25.114   68.111   27.524 50.21860 37.25967 
1 1 1  -16    9   14 o  116.168   30.552   21.098   9.3160   45.200   15.045   6.1100   11.864  166.753   35.894   80.822   33.816 85.93063 49.31423 
1 1 1  -16    9   15 o  211.092   14.972   60.393   8.1333   62.141   9.7166   56.300   14.865  212.195   17.844  190.668   31.176 21.52661 35.92126 
1 1 1  -16    9   16 o   63.558   25.530   3.9088   6.4218   0.5326   7.5806   12.490   12.086   59.665   26.029   92.175   35.629 -32.50991 44.12398 
1 1 1  -16    9   17 o   86.241   24.549   11.179   5.7470   5.1305   8.3145   16.712   7.9526   70.843   28.836  103.214   28.704 -32.37049 40.68666 
1 1 1  -16    9   18 o  166.557   15.304   38.012   6.5290   42.945   9.8314   34.119   8.7328  171.851   22.637  152.886   22.744 18.96532 32.08912 
1 1 1  -16    9   19 o  202.276   16.897   56.722   8.7722   63.250   12.108   49.510   12.727  208.262   22.818  178.809   28.429 29.45322 36.45379 
1 1 1  -16    9   20 o   80.267   24.933   9.7866   5.7294   5.8079   7.8456   14.333   8.3867   70.529   28.258   94.035   30.290 -23.50613 41.42440 
1 1 1  -16    9   21 o  156.175   17.145   34.226   6.8219   30.545   9.3836   38.354   9.9353  140.093   26.836  159.081   24.930 -18.98839 36.62846 
1 1 1  -16    9   22 o  120.134   22.128   21.551   6.6321   34.625   9.5224   9.2353   9.2424  150.017   25.412   79.508   31.039 70.50887 40.11457 
1 1 1  -16    9   23 o   50.181   24.373 -11.9872   9.9800  -0.3435   15.186 -20.8400   13.241   73.206   33.879   52.950   26.187 20.25580 42.81997 
1 1 1  -16    9   24 o   58.313   24.688   2.5906   6.4437   9.4228   9.1370  -4.1698   9.0889   78.390   30.787   55.050   25.724 23.34061 40.11905 
1 1 1  -16    9   25 o  144.110   20.090   30.813   7.2953   44.257   10.084   16.049   10.567  169.132   23.665   92.701   33.835 76.43078 41.29003 
1 1 1  -16    9   26 o   80.769   28.957   11.175   7.6951   6.8125   9.4246   19.900   13.328   71.427   30.027   96.762   37.412 -25.33505 47.97175 
1 1 1  -16    9   27 o   51.477   23.780  -2.0746   7.4308  -9.1571   8.9994   13.100   13.173   48.160   23.334   83.227   35.270 -35.06701 42.29026 
1 1 1  -16    9   28 o  138.568   25.282   31.752   8.7402   24.726   10.686   45.950   15.190  110.057   34.029  143.604   39.569 -33.54755 52.18949 
1 1 1  -16    9   29 o   88.811   32.355   16.195   9.6564   38.270   13.039 -10.6200   14.371  133.391   36.621   58.106   28.445 75.28448 46.37061 
1 1 1  -16    9   30 o  115.890   26.435   23.563   7.7600   31.434   10.776   15.084   11.184  124.770   32.879   83.175   33.592 41.59478 47.00503 
1 1 1  -16    9   31 o   90.573   29.624   16.378   8.0050   22.640   10.930   9.1316   11.757   98.699   34.596   71.833   31.833 26.86665 47.01347 
1 1 1  -16    9   32 o   64.516   28.819   5.7386   9.8327  -6.5410   18.642   10.472   11.574   62.922   31.110   72.291   31.832 -9.368153 44.50946 
1 1 1  -16    9   33 o   89.036   29.498   16.815   7.9277   20.107   11.123   13.416   11.302   87.874   34.121   75.132   32.277 12.74183 46.96865 
1 1 1  -16    9   34 o   70.058   28.308   10.439   7.9464   2.2805   11.142   18.883   11.336   58.835   27.800   82.225   33.592 -23.39011 43.60359 
1 1 1  -16   10    1 o  128.428   13.121   22.051   4.3037   32.940   14.082   20.929   4.5200  144.233   37.383  124.739   14.244 19.49433 40.00516 
1 1 1  -16   10    2 o  221.202   10.162   64.230   5.8227   71.400   16.163   63.161   6.2417  221.795   28.814  218.823   11.048 2.972153 30.85958 
1 1 1  -16   10    3 o  165.540   12.243   36.381   5.2125   31.680   15.906   36.947   5.5172  138.717   41.238  166.612   12.884 -27.89432 43.20403 
1 1 1  -16   10    4 o   81.648   30.787   8.2410   8.8784   0.0000   0.0000   8.2410   8.8784  ?   ?    81.648   30.787 0.000000 30.78736 
1 1 1  -16   10    5 o  118.679   18.501   19.479   5.5019   22.790   15.513   19.003   5.8844  119.046   41.246  116.495   20.235 2.551491 45.94230 
1 1 1  -16   10    6 o  128.724   16.461   22.591   5.3630   30.020   15.731   21.613   5.7048  134.307   41.247  125.224   18.114 9.083809 45.04949 
1 1 1  -16   10    7 o  109.820   21.273   17.104   5.8328   1.6220   14.961   19.879   6.3340   82.035   36.153  118.537   21.417 -36.50253 42.02077 
1 1 1  -16   10    8 o  168.946   13.412   38.174   5.8211   29.990   15.859   39.448   6.2580  133.203   41.499  171.427   14.221 -38.22322 43.86845 
1 1 1  -16   10    9 o  213.886   11.773   60.685   6.4977   55.270   16.886   61.626   7.0398  186.889   36.188  215.134   12.689 -28.24510 38.34815 
1 1 1  -16   10   10 o  395.119   11.831  206.726   12.108  182.900   23.980  214.879   14.028  356.118   26.179  401.520   13.488 -45.40140 29.44950 
1 1 1  -16   10   11 o  279.198   10.434  102.790   7.5460  101.522   11.061  103.895   10.321  274.050   15.647  278.148   14.374 -4.098694 21.24661 
1 1 1  -16   10   12 o  228.493   11.698   69.394   6.9003   63.345   9.8848   75.144   9.6369  214.604   17.947  235.287   15.906 -20.68245 23.98064 
1 1 1  -16   10   13 o  180.217   16.340   44.407   7.5448   44.505   9.0174   44.180   13.776  178.226   19.871  167.294   32.963 10.93205 38.48899 
1 1 1  -16   10   14 o   45.283   20.284  -1.4151   4.9076  -2.5479   6.8757  -0.2386   7.0069   51.784   23.525   56.366   24.795 -4.582180 34.17927 
1 1 1  -16   10   15 o  177.475   13.768   42.555   6.2797   50.268   8.8197   34.625   8.9432  190.199   18.121  154.383   23.071 35.81592 29.33692 
1 1 1  -16   10   16 o  135.214   21.634   26.429   7.3216   26.989   9.0807   25.390   12.377  132.761   27.317  121.380   36.445 11.38106 45.54618 
1 1 1  -16   10   17 o  115.840   25.194   20.328   7.3446   22.256   8.8993   16.210   13.006  118.535   29.180   98.861   37.266 19.67477 47.33133 
1 1 1  -16   10   18 o   71.304   27.512   6.4813   7.1958   15.430   9.9688  -3.2540   10.398   96.760   33.085   61.695   28.366 35.06561 43.58033 
1 1 1  -16   10   19 o  151.405   17.275   32.114   6.6536   31.484   9.6358   32.688   9.1986  142.585   27.080  147.053   25.046 -4.468918 36.88684 
1 1 1  -16   10   20 o  136.155   19.666   26.706   6.7348   32.161   9.6141   21.451   9.4372  143.882   26.781  113.301   31.176 30.58083 41.09979 
1 1 1  -16   10   21 o  147.980   17.729   31.044   6.6606   26.702   9.1563   35.923   9.7069  129.014   28.187  152.900   25.400 -23.88541 37.94299 
1 1 1  -16   10   22 o   51.947   23.503  -1.3997   6.7780  -1.6509   7.9500  -0.7312   12.970   55.462   25.235   68.994   31.707 -13.53271 40.52283 
1 1 1  -16   10   23 o   79.085   29.446   9.8996   8.0708 -12.4000   16.260   17.190   9.2970   64.467   31.266   98.541   31.907 -34.07365 44.67228 
1 1 1  -16   10   24 o  121.105   23.138   22.705   6.9938   25.168   9.7826   20.131   10.002  119.461   31.254  104.366   33.023 15.09547 45.46813 
1 1 1  -16   10   25 o   55.906   25.164  -0.0028   7.6552   0.4679   9.4168  -0.9201   13.145   61.053   27.655   66.659   31.078 -5.606346 41.60094 
1 1 1  -16   10   26 o   78.140   28.616   10.471   7.5678   13.431   9.6187   5.6620   12.261   84.875   32.035   72.126   32.202 12.74943 45.42258 
1 1 1  -16   10   27 f   96.539   29.300   17.101   7.9685   12.525   9.9127   25.460   13.397   81.489   32.047  104.464   38.102 -22.97475 49.78680 
1 1 1  -16   10   28 o   39.089   19.381 -13.1668   7.4244  -5.1190   11.133 -19.6124   9.9633   56.401   26.971   42.774   21.403 13.62675 34.43163 
1 1 1  -16   10   29 o  141.603   25.541   34.067   9.0236   26.247   11.212   48.450   15.205  109.085   35.010  144.122   39.537 -35.03734 52.80947 
1 1 1  -16   10   30 o   72.041   27.684   9.4229   7.2644   4.7802   10.005   14.600   10.565   64.560   28.937   81.750   32.777 -17.18997 43.72309 
1 1 1  -16   10   31 f   47.042   22.815  -7.1980   8.6606 -11.5379   10.334   3.0460   15.876   47.735   23.517   67.026   32.093 -19.29040 39.78749 
1 1 1  -16   10   32 o   70.020   28.323   9.5371   7.9642  -2.3348   11.153   21.888   11.376   56.077   26.864   91.890   34.802 -35.81209 43.96378 
1 1 1  -16   10   33 o   69.217   28.264   9.8114   8.0199   27.435   11.550  -6.5976   11.145  100.988   35.553   51.527   25.187 49.46027 43.57109 
1 1 1  -16   10   34 o   39.073   19.397 -10.9945   7.5262  -5.7096   10.854 -15.8883   10.445   50.628   24.771   43.306   21.705 7.321957 32.93491 
1 1 1  -16   11    1 o  206.070   16.359   57.401   8.6606   0.0000   0.0000   57.401   8.6606  ?   ?   206.070   16.359 0.000000 16.35949 
1 1 1  -16   11    2 o   48.475   19.646   1.6064   3.8400   0.0000   0.0000   1.6064   3.8400  ?   ?    48.475   19.646 0.000000 19.64618 
1 1 1  -16   11    3 o  133.600   23.617   25.536   7.8739   26.390   14.382   25.170   9.4094  126.799   39.523  129.853   28.735 -3.053841 48.86425 
1 1 1  -16   11    4 o  111.679   19.161   17.420   5.3434   5.1400   14.268   19.423   5.7628   85.388   36.462  117.895   19.556 -32.50771 41.37552 
1 1 1  -16   11    5 o  247.230   10.805   80.542   6.9193   83.570   18.245   80.034   7.4780  237.056   30.414  246.071   11.732 -9.015015 32.59879 
1 1 1  -16   11    6 o  257.807   10.758   87.603   7.1843   82.570   19.034   88.439   7.7582  233.374   32.358  258.679   11.578 -25.30556 34.36708 
1 1 1  -16   11    7 o  200.615   11.916   53.459   6.1646   74.710   15.973   49.740   6.6824  225.711   27.915  192.821   13.464 32.89023 30.99193 
1 1 1  -16   11    8 f  131.957   16.292   23.821   5.4504   51.990   16.012   20.130   5.7966  181.191   35.386  119.866   19.326 61.32516 40.31971 
1 1 1  -16   11    9 o  104.383   19.474   15.400   5.0717   9.6570   14.852   16.158   5.3961   91.944   38.098  106.634   20.277 -14.68987 43.15821 
1 1 1  -16   11   10 o  106.483   19.494   16.045   5.1787   5.5290   14.273   17.639   5.5574   84.440   36.274  111.553   19.966 -27.11270 41.40589 
1 1 1  -16   11   11 o  287.664   12.643  110.253   9.4206   74.670   18.939  121.951   10.859  216.445   34.973  301.665   13.897 -85.21982 37.63329 
1 1 1  -16   11   12 o  200.691   11.966   53.735   6.1922   52.543   9.1784   54.731   8.3889  194.629   18.425  200.074   16.329 -5.444305 24.61973 
1 1 1  -16   11   13 o  108.277   33.022   19.048   10.104   19.330   15.311   18.830   13.447  106.891   40.400  105.980   38.247 0.9116211 55.63238 
1 1 1  -16   11   14 o  203.516   12.770   55.617   6.6981   48.343   9.6713   62.322   9.2855  184.570   20.579  212.640   17.000 -28.06955 26.69298 
1 1 1  -16   11   15 o   79.412   24.209   9.3892   5.4313   18.009   8.0122   2.0608   7.3878  107.090   28.414   61.737   26.297 45.35295 38.71596 
1 1 1  -16   11   16 o  142.534   16.397   28.171   5.9437   30.746   8.9206   26.116   7.9707  143.227   24.951  132.348   24.140 10.87871 34.71740 
1 1 1  -16   11   17 o  261.746   20.867   98.070   14.031   98.070   14.031   0.0000   0.0000  261.746   20.867  ?   ?  0.000000 20.86746 
1 1 1  -16   11   18 o  150.207   40.506   42.300   16.121   0.0000   0.0000   42.300   16.121  ?   ?   150.207   40.506 0.000000 40.50614 
1 1 1  -16   11   19 o   95.528   27.837   14.642   7.3096   12.306   8.4646   21.490   14.496   87.494   30.459  106.508   39.500 -19.01431 49.87992 
1 1 1  -16   11   20 o   69.950   25.123   7.0279   5.7947   23.037   8.3624  -7.7602   8.0371  120.098   27.476   48.067   22.966 72.03147 35.81066 
1 1 1  -16   11   21 o   75.128   25.867   8.6357   6.0968   11.246   8.3472   5.6501   8.9262   83.433   30.130   70.801   29.453 12.63219 42.13364 
1 1 1  -16   11   22 o   73.470   31.313   6.1047   10.486   9.8890   15.482   2.8970   14.253   84.357   36.988   74.498   33.855 9.859299 50.14215 
1 1 1  -16   11   23 o  147.265   19.419   31.835   7.2268   31.675   10.001   32.011   10.455  137.546   28.984  136.781   30.306 0.7643433 41.93427 
1 1 1  -16   11   24 o  115.629   26.718   22.150   7.8416   12.156   9.7496   40.460   13.196   83.143   32.040  146.071   35.275 -62.92832 47.65374 
1 1 1  -16   11   25 o   40.656   20.022 -12.0460   7.4656 -12.7407   9.3581 -10.8300   12.382   46.342   22.741   55.683   27.069 -9.340569 35.35365 
1 1 1  -16   11   26 o   61.269   26.390   3.6487   7.5932  -6.0689   9.5542   20.310   12.510   52.416   25.043   95.680   36.433 -43.26342 44.21043 
1 1 1  -16   11   27 o  121.013   25.127   24.514   7.6186   23.636   10.780   25.389   10.768  105.753   34.368  110.480   34.160 -4.727364 48.45633 
1 1 1  -16   11   28 o  102.221   32.394   21.501   9.6223   30.470   13.268   11.550   13.976  111.863   38.170   77.343   34.466 34.52010 51.42841 
1 1 1  -16   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   11   30 o   71.709   28.258   9.6375   7.7222   6.4646   10.982   12.741   10.861   67.053   30.165   76.878   32.272 -9.824905 44.17468 
1 1 1  -16   11   31 o   82.622   34.638   17.935   12.485  -6.9640   18.130   40.390   17.218   61.651   30.517  107.629   42.264 -45.97784 52.13007 
1 1 1  -16   11   32 o   99.432   28.468   20.007   7.7055   14.451   10.999   25.362   10.798   76.409   32.297  100.209   34.429 -23.79921 47.20643 
1 1 1  -16   11   33 o   39.972   19.742  -9.7452   7.4417   4.4092   10.797 -22.5525   10.271   60.383   28.156   39.833   20.158 20.55012 34.62810 
1 1 1  -16   12    1 o  236.321   10.378   73.543   6.3528   80.540   17.264   72.447   6.8322  233.283   29.210  234.211   11.262 -0.9280853 31.30613 
1 1 1  -16   12    2 o  289.603   12.328  111.208   9.2481  111.900   18.963  110.992   10.593  278.026   26.658  288.237   14.188 -10.21066 30.19835 
1 1 1  -16   12    3 o  142.246   16.127   27.583   5.8373   34.080   15.146   26.450   6.3260  142.549   39.601  138.395   18.079 4.154343 43.53271 
1 1 1  -16   12    4 o  153.957   13.291   31.780   5.2483   19.540   14.503   33.624   5.6299  110.190   39.727  158.151   13.883 -47.96075 42.08318 
1 1 1  -16   12    5 o   87.763   22.482   11.187   5.1337   17.160   15.215   10.420   5.4535  105.483   40.176   84.490   23.866 20.99279 46.73020 
1 1 1  -16   12    6 o   63.307   22.089   5.2308   4.4531   28.510   15.132   3.0236   4.6594  128.778   40.603   56.078   21.997 72.70052 46.17890 
1 1 1  -16   12    7 o   80.360   22.591   9.3786   4.8985   16.120   14.404   8.4969   5.2090  102.503   39.078   76.820   23.760 25.68362 45.73438 
1 1 1  -16   12    8 o   40.867   18.720  -2.5522   4.4715   10.460   12.976  -4.3055   4.7633   90.357   36.292   39.297   18.446 51.06048 40.71019 
1 1 1  -16   12    9 o   80.924   23.605   9.5972   5.2537   23.890   15.011   7.6021   5.6084  117.328   40.578   73.555   24.818 43.77389 47.56555 
1 1 1  -16   12   10 o  107.451   20.677   16.576   5.5461  -0.5618   15.722   19.012   5.9271   78.603   35.657  115.294   20.602 -36.69138 41.18118 
1 1 1  -16   12   11 o   52.635   22.253   1.1906   5.2234   3.2190   16.263   0.9573   5.5156   83.486   37.194   53.217   22.697 30.26846 43.57194 
1 1 1  -16   12   12 o   94.696   28.503   13.922   7.5640   7.0870   16.274   15.805   8.5427   87.805   38.225   99.887   30.342 -12.08130 48.80393 
1 1 1  -16   12   13 o  112.077   24.204   18.785   6.8212   13.290   16.120   19.984   7.5284   95.783   39.690  114.590   25.964 -18.80756 47.42828 
1 1 1  -16   12   14 f   74.714   23.723   8.2026   5.1585   7.0759   7.1295   9.4405   7.4732   73.057   27.579   80.187   28.559 -7.130325 39.70164 
1 1 1  -16   12   15 f  168.448   20.088   40.507   8.5921   0.0000   0.0000   40.507   8.5921  ?   ?   168.448   20.088 0.000000 20.08783 
1 1 1  -16   12   16 o  348.528   13.739  164.331   12.403  173.500   17.760  155.600   17.330  349.973   19.671  330.400   20.348 19.57339 28.30170 
1 1 1  -16   12   17 o  227.991   15.724   71.687   9.2294   85.901   11.011   38.120   16.922  248.158   17.237  138.092   42.842 110.0658 46.17989 
1 1 1  -16   12   18 o   94.470   24.157   13.752   5.9344   15.844   8.7542   11.974   8.0723   97.377   30.903   86.419   29.764 10.95757 42.90513 
1 1 1  -16   12   19 o  137.806   41.140   37.900   15.806   0.0000   0.0000   37.900   15.806  ?   ?   137.806   41.140 0.000000 41.14037 
1 1 1  -16   12   20 o   74.319   28.296   8.0513   7.5458   6.5578   8.8648   11.980   14.378   72.476   29.669   87.482   36.948 -15.00623 47.38567 
1 1 1  -16   12   21 f  166.412   20.583   40.839   8.6834   45.829   10.423   29.520   15.698  172.898   23.914  116.569   41.405 56.32880 47.81469 
1 1 1  -16   12   22 o   57.107   27.157  -6.5965   10.965 -19.7500   15.803   5.6170   15.228   58.386   28.825   77.708   35.186 -19.32121 45.48589 
1 1 1  -16   12   23 o   43.227   20.636  -6.0004   6.4605  -0.6569   8.4709 -13.4300   9.9884   57.172   26.027   48.050   23.562 9.121944 35.10786 
1 1 1  -16   12   24 o   63.120   26.357   4.6010   7.1869   5.9270   9.2434   2.5740   11.428   68.988   29.401   67.064   30.414 1.924004 42.30159 
1 1 1  -16   12   25 f   61.344   26.158   3.9326   7.3238   2.6268   9.0773   6.3680   12.397   62.326   27.776   72.282   32.318 -9.956352 42.61362 
1 1 1  -16   12   26 o   78.504   27.637   11.004   6.9787   20.215   10.295   3.1736   9.4925   98.271   33.622   63.174   28.260 35.09707 43.92145 
1 1 1  -16   12   27 o  149.080   27.960   39.323   10.400   44.720   14.766   34.010   14.651  138.325   39.342  114.535   40.061 23.78918 56.14865 
1 1 1  -16   12   28 o  113.545   27.784   23.555   8.1049   36.420   11.473   10.739   11.451  133.570   33.281   74.694   32.290 58.87646 46.37112 
1 1 1  -16   12   29 o   48.065   22.751  -3.4057   7.5236  -3.2503   10.958  -3.5444   10.348   56.003   26.775   54.576   26.072 1.427307 37.37138 
1 1 1  -16   12   30 o   70.183   27.979   9.3696   7.6520   16.598   10.924   2.4068   10.722   82.689   33.268   60.740   28.234 21.94900 43.63403 
1 1 1  -16   12   31 o   87.799   35.870   22.548   12.925   30.880   19.836   16.400   17.039   86.169   39.456   75.438   35.241 10.73172 52.90271 
1 1 1  -16   12   32 o  142.008   23.861   35.754   8.4659   36.838   11.988   34.675   11.957  120.311   35.809  114.936   36.072 5.375626 50.82775 
1 1 1  -16   12   33 o  103.936   29.876   24.077   8.4716   32.487   12.161   16.150   11.808  104.109   36.494   74.033   32.386 30.07610 48.79181 
1 1 1  -16   13    1 o  222.833   19.635   68.963   11.218   51.300   16.080   85.710   15.657  178.513   36.017  243.506   25.187 -64.99358 43.95002 
1 1 1  -16   13    2 o  158.042   14.973   33.858   6.0565   27.110   13.879   35.445   6.7312  126.492   38.726  161.052   16.362 -34.55971 42.04092 
1 1 1  -16   13    3 o  122.825   15.586   20.640   4.8472   28.350   14.979   19.739   5.1229  127.911   40.405  119.466   17.037 8.444572 43.85008 
1 1 1  -16   13    4 o  130.037   15.592   23.116   5.1472   32.030   14.124   21.751   5.5273  137.650   38.243  125.245   17.517 12.40494 42.06355 
1 1 1  -16   13    5 o  111.121   18.229   17.300   5.0650   44.400   15.072   13.850   5.3778  164.770   36.295   97.684   21.806 67.08598 42.34130 
1 1 1  -16   13    6 o  106.419   18.880   15.995   5.0139   20.070   15.201   15.498   5.3111  109.365   40.471  104.012   20.442 5.352707 45.34090 
1 1 1  -16   13    7 o  276.250   13.281  102.100   9.5035  102.100   19.725  102.100   10.845  259.006   29.953  274.440   15.317 -15.43460 33.64202 
1 1 1  -16   13    8 o  230.413   11.792   70.765   7.0145   55.390   16.585   74.114   7.7409  183.596   36.161  235.256   12.750 -51.65996 38.34321 
1 1 1  -16   13    9 o   72.998   23.963   7.6346   5.2362  -7.3510   13.958   10.089   5.6488   67.352   31.602   82.358   24.596 -15.00528 40.04597 
1 1 1  -16   13   10 o   77.522   24.201   8.8472   5.3901   11.160   14.680   8.4868   5.7949   91.648   37.918   76.344   25.216 15.30399 45.53739 
1 1 1  -16   13   11 o   93.552   23.617   13.111   5.7237   21.260   15.276   11.780   6.1735  109.215   40.541   88.040   25.561 21.17519 47.92659 
1 1 1  -16   13   12 o  128.987   30.298   26.593   9.9508   47.320   15.861   13.140   12.778  165.086   37.893   92.649   36.401 72.43744 52.54465 
1 1 1  -16   13   13 o   66.137   24.397   5.7342   5.5153   8.7930   14.539   5.2200   5.9608   86.476   36.864   65.438   25.094 21.03787 44.59423 
1 1 1  -16   13   14 f  234.163   14.981   75.004   9.0394   62.230   18.958   78.763   10.284  184.780   40.708  238.407   16.759 -53.62747 44.02231 
1 1 1  -16   13   15 o  127.470   21.341   23.785   6.7975   24.490   9.7549   23.120   9.4773  121.995   30.850  118.608   30.633 3.387062 43.47532 
1 1 1  -16   13   16 o   61.345   24.245   4.1899   5.7000   15.295   8.2414  -5.9939   7.8919   96.485   29.893   49.803   23.491 46.68180 38.01807 
1 1 1  -16   13   17 o   78.963   25.017   9.6011   5.7391   12.301   8.1856   6.9906   8.0488   87.103   29.973   72.922   28.813 14.18114 41.57669 
1 1 1  -16   13   18 o  143.810   25.452   32.049   9.1342   32.049   9.1342   0.0000   0.0000  143.810   25.452  ?   ?  0.000000 25.45206 
1 1 1  -16   13   19 o  199.308   14.224   54.709   7.2949   64.379   10.433   45.460   10.204  211.185   19.285  173.282   23.325 37.90340 30.26535 
1 1 1  -16   13   20 o  152.049   26.107   36.656   9.9121   36.656   9.9121   0.0000   0.0000  152.049   26.107  ?   ?  0.000000 26.10735 
1 1 1  -16   13   21 o  127.658   26.366   26.403   8.4299   33.897   9.9080   6.7560   16.043  143.730   27.616   79.536   36.056 64.19393 45.41701 
1 1 1  -16   13   22 o  108.512   42.689   29.530   17.595   29.530   17.595   0.0000   0.0000  108.512   42.689  ?   ?  0.000000 42.68876 
1 1 1  -16   13   23 o   86.442   32.206   14.076   9.6584   14.076   9.6584   0.0000   0.0000   86.442   32.206  ?   ?  0.000000 32.20645 
1 1 1  -16   13   24 o   82.008   29.022   12.154   7.7059   8.9030   9.7514   17.560   12.575   74.102   30.801   90.067   35.879 -15.96561 47.28683 
1 1 1  -16   13   25 o   64.087   26.286   5.7257   6.9754   11.300   9.7877  -0.0270   9.9434   77.880   31.435   59.523   27.501 18.35666 41.76638 
1 1 1  -16   13   26 o  135.524   25.194   31.022   8.5189   28.560   13.507   32.649   10.977  106.709   38.354  127.691   32.963 -20.98227 50.57250 
1 1 1  -16   13   27 o  130.372   27.511   30.513   8.9986   31.194   11.569   29.470   14.318  118.819   35.134  103.848   39.110 14.97083 52.57393 
1 1 1  -16   13   28 o   54.961   24.534   1.9880   7.1140  -3.6934   10.231   7.3064   9.8987   54.172   25.891   67.602   29.610 -13.42977 39.33352 
1 1 1  -16   13   29 o  115.726   26.641   24.552   7.8207   12.214   10.774   38.295   11.370   74.758   31.798  134.961   32.838 -60.20306 45.71038 
1 1 1  -16   13   30 o   63.835   28.310   6.4567   9.3159   16.450   11.097 -17.3900   17.143   80.414   33.089   54.932   27.570 25.48201 43.06938 
1 1 1  -16   13   31 o   69.085   29.652   10.373   9.5224   5.5390   18.321   12.162   11.146   65.751   32.172   71.272   31.314 -5.521591 44.89596 
1 1 1  -16   13   32 o   86.341   29.559   17.286   7.9571   25.949   11.556   9.4746   10.973   93.103   35.120   65.630   29.778 27.47363 46.04513 
1 1 1  -16   14    1 o  228.272   10.954   69.013   6.4773   78.260   16.833   67.406   7.0176  227.188   29.286  224.757   12.098 2.430832 31.68653 
1 1 1  -16   14    2 o  270.662   10.688   96.934   7.4933   57.400   18.366  104.828   8.2075  182.983   39.876  281.135   11.271 -98.15204 41.43812 
1 1 1  -16   14    3 o  274.464   10.510   99.626   7.4721   76.240   17.067  105.172   8.3110  222.805   30.362  281.487   11.398 -58.68292 32.43139 
1 1 1  -16   14    4 o  190.397   12.397   48.532   6.0807   48.080   16.222   48.606   6.5590  168.491   38.067  190.019   13.412 -21.52824 40.36044 
1 1 1  -16   14    5 o  196.413   12.311   51.637   6.2320   46.120   15.285   52.736   6.8251  166.339   36.479  197.920   13.392 -31.58102 38.85899 
1 1 1  -16   14    6 o  209.157   12.135   58.509   6.5464   47.060   16.895   60.531   7.1011  163.501   40.179  212.275   12.977 -48.77390 42.22294 
1 1 1  -16   14    7 o   99.603   19.958   14.288   4.9697   23.240   15.843   13.311   5.2338  113.358   41.421   95.265   21.695 18.09285 46.75906 
1 1 1  -16   14    8 o   69.145   22.922   6.7856   4.7867   14.150   15.310   5.9877   5.0394   96.560   39.195   66.481   23.476 30.07862 45.68790 
1 1 1  -16   14    9 o  193.475   12.945   50.432   6.4499   61.730   16.974   48.525   6.9729  192.929   35.265  188.935   14.355 3.994339 38.07476 
1 1 1  -16   14   10 o  145.638   16.917   29.524   6.2631   23.340   16.119   30.623   6.7972  111.798   41.615  147.599   18.162 -35.80064 45.40591 
1 1 1  -16   14   11 o   66.055   27.239   4.0531   7.5408   1.4850   16.298   4.7526   8.5061   79.618   36.189   69.775   28.865 9.843147 46.29130 
1 1 1  -16   14   12 o   88.355   27.192   12.210   6.8322   5.3690   16.889   13.548   7.4709   84.314   37.708   92.326   28.437 -8.012024 47.22861 
1 1 1  -16   14   13 o   84.995   26.793   11.253   6.5893   0.0000   0.0000   11.253   6.5893  ?   ?    84.995   26.793 0.000000 26.79340 
1 1 1  -16   14   14 o   87.724   26.653   12.113   6.5913 -17.8400   16.897   17.489   7.1584   63.898   31.187  105.525   26.286 -41.62664 40.78685 
1 1 1  -16   14   15 o  128.291   20.595   24.066   6.6124   32.030   17.229   22.691   7.1608  123.051   43.412  122.522   23.417 0.5296555 49.32511 
1 1 1  -16   14   16 o   61.400   25.540   3.3525   6.7117   10.270   15.877   1.8473   7.4061   86.907   37.795   60.068   25.968 26.83893 45.85576 
1 1 1  -16   14   17 o   74.907   25.618   8.6001   5.9766   5.9290   8.4400   11.287   8.4645   70.476   28.911   83.456   30.309 -12.97980 41.88693 
1 1 1  -16   14   18 o  160.803   16.505   36.507   6.7775   37.618   9.7687   35.475   9.4109  155.415   25.123  151.060   24.920 4.354996 35.38599 
1 1 1  -16   14   19 o   94.096   24.754   14.171   6.1145   9.5248   8.5451   19.047   8.7531   77.843   29.996  104.381   30.475 -26.53825 42.76046 
1 1 1  -16   14   20 o   72.384   25.504   8.1992   5.9443   16.094   8.5845   0.9267   8.2392   94.953   30.651   59.285   26.438 35.66825 40.47836 
1 1 1  -16   14   21 o   69.067   32.596  -1.5010   15.237  -1.5010   15.237   0.0000   0.0000   69.067   32.596  ?   ?  0.000000 32.59574 
1 1 1  -16   14   22 o   74.459   28.201   9.1904   7.4702   18.216   9.4148  -6.1490   12.274   97.307   32.142   59.051   28.260 38.25567 42.79838 
1 1 1  -16   14   23 f  101.903   33.450   21.098   10.203   21.098   10.203   0.0000   0.0000  101.903   33.450  ?   ?  0.000000 33.45017 
1 1 1  -16   14   24 o  106.535   42.583   33.750   17.771   0.0000   0.0000   33.750   17.771  ?   ?   106.535   42.583 0.000000 42.58328 
1 1 1  -16   14   25 o   67.909   29.118   6.8867   9.1667   13.800   11.576  -4.7350   15.009   80.698   33.553   62.397   30.208 18.30173 45.14778 
1 1 1  -16   14   26 o   52.288   24.248  -1.0547   7.8361   5.5477   9.8448 -12.4700   12.945   65.474   29.067   53.147   26.210 12.32734 39.13905 
1 1 1  -16   14   27 o   76.137   28.355   11.318   7.4846   35.458   10.685 -11.9389   10.488  133.186   31.471   47.851   23.597 85.33557 39.33470 
1 1 1  -16   14   28 o   62.167   26.632   5.7593   7.6553   7.7836   11.083   3.9122   10.587   67.790   30.415   62.319   28.641 5.470787 41.77823 
1 1 1  -16   14   29 o   67.228   27.595   8.5585   7.6949   0.0037   11.051   16.611   10.721   57.616   27.359   81.252   32.864 -23.63670 42.76128 
1 1 1  -16   14   30 o   71.807   32.120   12.898   12.261   33.650   18.460  -3.4820   16.400   88.297   39.461   59.593   29.410 28.70386 49.21485 
1 1 1  -16   14   31 o   46.465   22.092  -2.3153   7.2492   4.7540   10.708  -8.2975   9.8500   59.911   27.971   46.701   22.999 13.21018 36.21199 
1 1 1  -16   14   32 o   56.884   26.788   3.7293   10.190 -23.3800   20.965   12.115   11.660   52.924   26.980   66.906   30.488 -13.98246 40.71142 
1 1 1  -16   15    1 o  231.485   10.910   71.115   6.5416   66.450   17.441   71.879   7.0568  201.848   34.604  231.990   11.782 -30.14250 36.55452 
1 1 1  -16   15    2 o  198.164   11.863   52.522   6.0612   47.790   15.234   53.412   6.6065  169.068   35.896  199.290   12.867 -30.22173 38.13255 
1 1 1  -16   15    3 o  138.856   15.210   26.449   5.3813   61.410   15.967   21.969   5.7157  195.903   32.611  124.932   18.197 70.97118 37.34472 
1 1 1  -16   15    4 o  114.814   17.643   18.533   5.0792   32.410   15.295   16.813   5.3848  132.687   40.659  108.103   19.965 24.58334 45.29659 
1 1 1  -16   15    5 o  156.377   14.036   33.248   5.6250   34.470   14.654   33.037   6.0916  138.543   39.119  155.163   15.358 -16.61966 42.02554 
1 1 1  -16   15    6 o  129.635   16.071   23.285   5.2810   28.590   15.341   22.572   5.6247  123.379   41.043  126.811   17.598 -3.431793 44.65619 
1 1 1  -16   15    7 o   88.527   21.756   11.620   4.9534   17.840   14.645   10.817   5.2636  101.676   39.244   84.850   23.257 16.82664 45.61749 
1 1 1  -16   15    8 o  101.601   20.762   15.098   5.2794   25.040   15.489   13.791   5.6157  114.842   41.093   95.895   22.919 18.94666 47.05215 
1 1 1  -16   15    9 o  194.431   13.375   51.232   6.6949   41.590   17.821   52.816   7.2241  144.502   43.808  196.835   14.266 -52.33266 46.07201 
1 1 1  -16   15   10 o  139.706   24.483   29.425   8.5370   53.760   18.064   22.427   9.6871  169.130   41.535  116.143   31.433 52.98756 52.08846 
1 1 1  -16   15   11 o  195.473   16.430   53.097   8.2420   28.530   18.734   58.993   9.1779  116.282   44.511  205.243   17.428 -88.96102 47.80175 
1 1 1  -16   15   12 o  187.793   19.155   50.319   9.1872   0.0000   0.0000   50.319   9.1872  ?   ?   187.793   19.155 0.000000 19.15486 
1 1 1  -16   15   13 f   80.880   27.376   10.205   6.8246 -11.5200   15.584   15.360   7.5913   65.090   31.330   97.113   28.388 -32.02231 42.27814 
1 1 1  -16   15   14 o  160.045   16.579   35.957   6.7735   42.140   17.421   34.856   7.3519  141.916   43.378  156.083   18.547 -14.16655 47.17690 
1 1 1  -16   15   15 o   99.555   23.275   15.267   5.8946   8.1030   16.267   16.349   6.3244   83.803   37.276  102.470   24.211 -18.66634 44.44897 
1 1 1  -16   15   16 o   64.877   24.890   5.5737   5.8664 -20.4400   15.801   9.7329   6.3180   58.722   28.959   78.462   26.342 -19.73975 39.14736 
1 1 1  -16   15   17 o  107.513   27.368   19.065   7.6413   20.290   16.719   18.741   8.5912   98.420   40.569  104.050   30.138 -5.630173 50.53877 
1 1 1  -16   15   18 o  202.797   14.059   56.938   7.3397   56.591   10.572   57.261   10.198  194.331   21.354  196.738   20.303 -2.406738 29.46557 
1 1 1  -16   15   19 o   81.588   26.273   11.034   6.3101   19.121   8.8096   2.5142   9.0426  103.085   30.701   63.473   28.033 39.61206 41.57393 
1 1 1  -16   15   20 o   89.284   30.912   14.668   8.7125   14.668   8.7125   0.0000   0.0000   89.284   30.912  ?   ?  0.000000 30.91172 
1 1 1  -16   15   21 o  142.302   29.231   35.459   10.414   28.110   17.898   39.220   12.805  101.835   41.976  140.902   35.188 -39.06638 54.77440 
1 1 1  -16   15   22 f   78.219   28.516   10.949   7.5029   12.624   9.8403   8.6230   11.596   81.166   31.926   74.121   32.267 7.045212 45.39225 
1 1 1  -16   15   23 o   83.784   28.040   12.949   7.1590   21.484   10.132   4.4373   10.117  101.158   33.339   65.491   29.245 35.66659 44.34797 
1 1 1  -16   15   24 o   88.651   31.876   16.490   9.3313   21.459   11.304   5.8610   16.533   96.257   35.015   71.795   33.905 24.46164 48.74056 
1 1 1  -16   15   25 o  105.318   37.681   28.630   13.024   28.630   13.024   0.0000   0.0000  105.318   37.681  ?   ?  0.000000 37.68130 
1 1 1  -16   15   26 o   74.310   30.059   11.183   8.9704   16.170   10.706  -0.5721   16.436   83.009   33.093   64.655   31.374 18.35380 45.60170 
1 1 1  -16   15   27 o   87.362   31.955   17.554   9.4329   27.775   11.350  -5.2750   16.962  106.177   35.301   61.276   30.177 44.90062 46.44165 
1 1 1  -16   15   28 o   97.460   34.927   24.805   11.194   0.0000   0.0000   24.805   11.194  ?   ?    97.460   34.927 0.000000 34.92698 
1 1 1  -16   15   29 o   66.603   27.465   8.8368   7.6667   16.952   10.897   0.8823   10.789   79.474   32.755   57.031   27.067 22.44353 42.49162 
1 1 1  -16   15   30 o   63.745   30.022   7.5534   12.805   31.390   20.320  -8.1480   16.492   79.548   37.573   55.857   27.887 23.69074 46.79119 
1 1 1  -16   15   31 o   51.410   23.979   1.3414   7.8407   6.5716   11.328  -3.4686   10.863   60.594   28.443   51.074   24.945 9.520496 37.83199 
1 1 1  -16   16    1 o  147.014   14.118   29.495   5.3101   28.010   14.437   29.727   5.7103  122.678   39.765  147.002   15.217 -24.32415 42.57719 
1 1 1  -16   16    2 o  148.082   14.278   29.963   5.4088   36.440   15.763   29.098   5.7583  139.068   40.981  145.220   15.550 -6.152344 43.83171 
1 1 1  -16   16    3 o   67.313   22.257   6.4762   4.5141  -0.6239   12.455   7.5500   4.8435   69.925   31.726   71.803   23.007 -1.878525 39.19053 
1 1 1  -16   16    4 o  153.386   14.574   32.229   5.7210   14.750   14.484   35.460   6.2274   95.391   38.332  160.604   15.148 -65.21339 41.21659 
1 1 1  -16   16    5 o  226.147   15.063   70.065   8.7733   64.190   17.921   71.917   10.061  192.105   37.359  227.251   17.220 -35.14610 41.13645 
1 1 1  -16   16    6 o  187.121   13.275   47.484   6.3928   6.3200   17.261   54.028   6.8823   85.494   38.186  199.574   13.391 -114.0794 40.46619 
1 1 1  -16   16    7 o  182.261   13.541   45.176   6.3470   43.370   16.355   45.496   6.8867  151.340   40.794  182.128   14.724 -30.78755 43.37012 
1 1 1  -16   16    8 o  127.502   18.123   23.120   5.8171  -5.4180   15.335   27.916   6.2869   70.066   32.955  140.578   17.655 -70.51205 37.38606 
1 1 1  -16   16    9 o   72.379   28.238   6.9267   7.6463  -8.4230   16.942   10.853   8.5687   70.342   33.536   83.408   30.464 -13.06625 45.30695 
1 1 1  -16   16   10 o   96.897   29.322   15.460   7.9892   0.0000   0.0000   15.460   7.9892  ?   ?    96.897   29.322 0.000000 29.32233 
1 1 1  -16   16   11 o  111.392   23.404   18.912   6.5382   18.560   17.126   18.973   7.0740   99.165   40.986  110.188   25.317 -11.02283 48.17434 
1 1 1  -16   16   12 o  105.608   22.305   16.877   5.9103   7.1150   15.299   18.589   6.4077   81.987   36.324  110.382   23.150 -28.39595 43.07373 
1 1 1  -16   16   13 o   48.036   21.403  -0.6118   5.3868 -12.3400   14.920   1.1461   5.7764   62.316   30.157   53.273   22.982 9.042999 37.91549 
1 1 1  -16   16   14 o  148.621   17.808   31.631   6.7192   2.7610   16.186   37.642   7.3856   77.036   35.409  162.192   17.877 -85.15586 39.66569 
1 1 1  -16   16   15 o   58.229   24.002   3.2756   5.8519   14.950   15.987   1.4694   6.2883   90.702   38.661   55.289   23.915 35.41270 45.45949 
1 1 1  -16   16   16 o   55.323   23.713   1.8902   6.0757   6.2690   15.410   1.0842   6.6113   78.511   35.487   55.249   24.199 23.26191 42.95280 
1 1 1  -16   16   17 o   57.415   23.935   3.0932   5.9126  -2.5010   15.172   4.0949   6.4202   68.701   32.455   61.074   25.153 7.627041 41.06111 
1 1 1  -16   16   18 o  135.685   22.177   28.432   7.5253   17.730   16.398   31.287   8.4698   91.014   38.983  140.418   24.157 -49.40388 45.86129 
1 1 1  -16   16   19 o  190.378   22.764   56.602   11.003   51.670   18.067   59.510   13.872  145.303   44.123  184.476   30.066 -39.17276 53.39323 
1 1 1  -16   16   20 o   83.521   37.177   14.210   16.211   14.210   16.211   0.0000   0.0000   83.521   37.177  ?   ?  0.000000 37.17717 
1 1 1  -16   16   21 o   75.957   28.298   10.281   7.4561   11.212   9.3573   8.6620   12.340   77.685   30.949   74.064   32.727 3.621437 45.04379 
1 1 1  -16   16   22 o   76.464   27.717   10.646   7.0735   17.174   9.8839   3.7937   10.128   89.946   32.739   64.184   28.912 25.76159 43.67816 
1 1 1  -16   16   23 o   63.872   26.219   6.1757   6.9475   5.9950   10.023   6.3429   9.6387   66.519   29.439   66.721   29.222 -0.2023163 41.47989 
1 1 1  -16   16   24 o  176.605   24.646   53.199   10.967   54.820   15.332   51.500   15.695  152.606   38.723  142.400   40.581 10.20692 56.09137 
1 1 1  -16   16   25 o   77.600   28.063   11.944   7.2448   14.985   10.343   9.0143   10.151   80.530   32.381   69.634   30.252 10.89618 44.31364 
1 1 1  -16   16   26 o   53.087   24.155   1.2243   7.2844  -5.2419   10.069   8.3263   10.552   51.361   24.835   67.701   30.072 -16.33992 39.00144 
1 1 1  -16   16   27 o  111.936   30.709   26.630   9.1725   24.413   11.061   31.510   16.411   96.420   34.702   92.309   39.254 4.111221 52.39380 
1 1 1  -16   16   28 o  118.378   32.090   31.522   10.087   47.321   12.348  -0.1699   17.488  144.597   33.606   61.732   30.448 82.86530 45.34758 
1 1 1  -16   16   29 o   81.302   31.992   17.953   9.8847   15.491   11.826   23.660   18.007   73.297   32.228   75.618   35.611 -2.320953 48.02867 
1 1 1  -16   16   30 o   83.266   29.869   17.344   8.1881   20.131   11.774   14.734   11.394   78.118   33.235   70.484   31.282 7.633781 45.64104 
1 1 1  -16   17    1 o  126.689   16.409   22.478   5.2584   27.300   15.818   21.878   5.5756  116.979   41.561  124.140   17.853 -7.160828 45.23343 
1 1 1  -16   17    2 f  131.586   15.347   24.017   5.1327   28.520   14.322   23.353   5.4979  121.839   39.614  128.870   16.875 -7.030823 43.05887 
1 1 1  -16   17    3 o  134.906   15.648   25.306   5.3666   43.750   14.974   22.588   5.7485  155.829   37.541  125.924   18.148 29.90418 41.69728 
1 1 1  -16   17    4 f  138.741   16.126   26.876   5.6872   13.810   15.752   28.834   6.0986   92.824   38.910  143.371   16.737 -50.54699 42.35726 
1 1 1  -16   17    5 f   66.391   23.112   6.2656   4.8736 -14.2200   16.307   8.2749   5.1070   64.758   31.384   74.149   23.611 -9.390930 39.27369 
1 1 1  -16   17    6 o  102.256   19.755   15.306   5.0432   44.980   16.465   12.234   5.2978  152.435   40.865   89.598   22.777 62.83726 46.78445 
1 1 1  -16   17    7 o  163.280   14.725   36.786   6.1610   23.550   16.809   38.840   6.6218  107.306   41.867  167.296   15.455 -59.99059 44.62851 
1 1 1  -16   17    8 o   81.945   33.670   9.5860   11.470   0.0000   0.0000   9.5860   11.470  ?   ?    81.945   33.670 0.000000 33.66960 
1 1 1  -16   17    9 o   93.603   28.291   14.413   7.4404 -25.5000   16.886   24.030   8.2884   58.699   29.125  122.803   26.809 -64.10419 39.58475 
1 1 1  -16   17   10 o   55.569   22.900   2.6905   5.3256   1.4800   14.458   2.8806   5.7283   73.776   33.746   57.268   23.689 16.50740 41.23085 
1 1 1  -16   17   11 o  120.467   19.842   21.344   5.9761   23.950   14.760   20.833   6.5358  107.510   39.862  117.178   22.349 -9.667702 45.69909 
1 1 1  -16   17   12 o  120.526   20.622   21.630   6.2066   12.860   15.147   23.400   6.8041   87.851   37.543  124.451   21.907 -36.59989 43.46695 
1 1 1  -16   17   13 o  132.790   19.466   25.919   6.4969   17.560   16.028   27.562   7.1070   94.035   39.321  135.846   20.864 -41.81038 44.51371 
1 1 1  -16   17   14 o   61.276   24.607   4.4606   5.9644   9.3640   15.781   3.6435   6.4422   82.186   36.625   60.278   25.044 21.90838 44.36847 
1 1 1  -16   17   15 o   50.998   22.542   0.3185   5.8585  -3.7570   15.859   0.9625   6.3044   68.585   32.628   53.760   23.587 14.82497 40.26097 
1 1 1  -16   17   16 o  174.641   16.399   43.613   7.3316   39.240   17.219   44.581   8.1028  125.930   43.464  174.765   18.164 -48.83464 47.10728 
1 1 1  -16   17   17 o   92.441   25.747   14.396   6.3936   25.130   15.524   12.204   7.0163  101.705   40.070   83.682   27.752 18.02320 48.74184 
1 1 1  -16   17   18 o  138.302   22.118   29.966   7.6565   21.380   16.459   32.337   8.6493   93.047   39.428  141.007   24.574 -47.95967 46.45905 
1 1 1  -16   17   19 o   85.161   33.354   14.880   10.699   10.710   16.811   17.720   13.871   78.750   36.156   87.952   36.662 -9.201347 51.49107 
1 1 1  -16   17   20 o   73.604   30.601   9.5454   9.6284  -5.0320   16.917   16.530   11.710   65.024   31.617   86.319   34.544 -21.29503 46.82902 
1 1 1  -16   17   21 o   60.371   26.716   3.4330   8.2530   0.4822   16.712   4.3848   9.4912   67.594   32.512   63.721   28.399 3.873699 43.16873 
1 1 1  -16   17   22 o   52.732   24.246  -0.2041   7.5977 -14.5000   11.541   10.730   10.093   48.824   24.200   73.968   31.083 -25.14390 39.39301 
1 1 1  -16   17   23 o   55.497   25.525   0.8100   8.4289   8.1440   11.770  -6.9100   12.076   69.268   31.189   54.559   26.570 14.70882 40.97236 
1 1 1  -16   17   24 o   59.350   25.601   4.7019   7.1667  -7.0480   10.204   16.141   10.068   50.311   24.485   82.660   32.360 -32.34915 40.57938 
1 1 1  -16   17   25 o   78.344   28.684   12.931   7.6031   11.952   11.205   13.765   10.350   72.584   31.656   76.261   31.719 -3.677109 44.81244 
1 1 1  -16   17   26 o  202.218   17.349   63.136   8.9997   54.288   12.737   71.958   12.718  160.864   31.694  199.601   25.158 -38.73711 40.46501 
1 1 1  -16   17   27 o   67.546   27.825   9.5956   7.8589   6.9068   10.938   12.465   11.299   63.209   29.073   70.615   31.255 -7.405674 42.68628 
1 1 1  -16   17   28 f   45.179   21.808  -4.1430   7.6796   4.7036   10.854 -13.0105   10.867   59.357   27.856   45.349   22.640 14.00764 35.89632 
1 1 1  -16   17   29 o   58.094   28.077   3.6234   12.828   22.280   19.182 -11.4700   17.253   70.220   34.033   53.301   26.870 16.91844 43.36145 
1 1 1  -16   18    1 o   52.024   21.240   2.3033   4.5285  -4.0240   14.945   2.9430   4.7519   69.583   32.665   54.680   21.962 14.90269 39.36158 
1 1 1  -16   18    2 o   64.536   22.880   5.8680   4.7915   21.680   15.424   4.1791   5.0409  104.187   40.257   59.265   22.982 44.92225 46.35473 
1 1 1  -16   18    3 f  190.047   13.058   49.210   6.3890   46.750   16.924   49.619   6.8995  152.864   41.621  190.056   14.116 -37.19255 43.94955 
1 1 1  -16   18    4 o  122.161   17.597   21.328   5.4077   11.390   14.921   22.831   5.8022   87.101   37.243  125.983   18.316 -38.88223 41.50364 
1 1 1  -16   18    5 o   52.693   22.106   1.8845   5.0912   0.0000   0.0000   1.8845   5.0912  ?   ?    52.693   22.106 0.000000 22.10628 
1 1 1  -16   18    6 o   72.762   26.048   7.9568   6.2244   0.0000   0.0000   7.9568   6.2244  ?   ?    72.762   26.048 0.000000 26.04797 
1 1 1  -16   18    7 o   88.385   30.831   13.277   8.6747   18.170   14.286   10.420   10.918   96.974   38.365   82.057   33.172 14.91708 50.71760 
1 1 1  -16   18    8 o  131.904   20.965   25.906   6.9234   15.160   16.204   28.306   7.6575   91.623   38.985  136.779   22.388 -45.15630 44.95579 
1 1 1  -16   18    9 o   86.677   25.003   12.041   5.9238   6.9330   15.904   12.864   6.3831   80.570   36.268   88.944   26.040 -8.373703 44.64846 
1 1 1  -16   18   10 o  137.679   17.764   27.325   6.1875   22.300   16.068   28.200   6.7045  101.321   40.494  138.791   19.160 -37.47041 44.79824 
1 1 1  -16   18   11 o   90.509   23.609   12.994   5.5928   18.910   14.756   12.002   6.0438   95.752   38.615   85.859   25.396 9.893227 46.21776 
1 1 1  -16   18   12 o  100.990   23.506   16.142   6.0336   13.320   15.692   16.632   6.5361   86.501   37.596  101.289   25.051 -14.78844 45.17773 
1 1 1  -16   18   13 o   59.277   23.898   4.1233   5.6500   7.7190   14.423   3.4715   6.1408   77.928   34.849   58.722   24.428 19.20516 42.55822 
1 1 1  -16   18   14 o  193.627   14.670   52.639   7.3031   25.930   17.127   58.575   8.0740  101.848   41.413  203.467   15.435 -101.6193 44.19563 
1 1 1  -16   18   15 o   57.776   23.941   3.5727   5.8656   3.5390   15.156   3.5786   6.3613   72.517   33.662   58.904   24.711 13.61322 41.75802 
1 1 1  -16   18   16 o   47.009   21.605  -1.7636   6.0246 -35.0300   15.915   3.8007   6.5090   49.891   25.229   59.372   24.956 -9.481567 35.48704 
1 1 1  -16   18   17 o   68.434   26.946   7.4206   7.0162   7.7100   16.331   7.3551   7.7698   75.587   35.035   68.807   27.925 6.779915 44.80259 
1 1 1  -16   18   18 o   62.681   28.151   3.1863   9.5188   13.950   15.663  -3.1170   11.986   80.778   36.206   59.519   28.329 21.25917 45.97234 
1 1 1  -16   18   19 o   87.905   32.234   16.410   9.6063   10.520   15.707   19.930   12.142   75.745   34.839   91.156   35.579 -15.41168 49.79597 
1 1 1  -16   18   20 o   80.921   27.943   12.540   7.1172   7.4670   17.104   13.603   7.8271   72.231   34.223   82.743   29.253 -10.51290 45.02156 
1 1 1  -16   18   21 o   60.882   26.433   4.7515   7.7409   0.0000   0.0000   4.7515   7.7409  ?   ?    60.882   26.433 0.000000 26.43341 
1 1 1  -16   18   22 o   63.549   28.981   4.9260   10.562 -12.3700   19.673   11.930   12.519   60.627   30.297   73.594   32.719 -12.96762 44.59224 
1 1 1  -16   18   23 o   63.381   27.886   6.2721   8.8666   30.760   18.655  -0.8744   10.078   88.548   39.613   55.426   26.263 33.12115 47.52882 
1 1 1  -16   18   24 o   42.412   20.547  -5.9820   6.9729   3.7397   9.7273 -16.2581   10.001   59.693   27.442   42.830   21.433 16.86334 34.81983 
1 1 1  -16   18   25 o   51.227   23.641   0.7022   7.3169   9.8822   10.365  -8.4163   10.330   67.760   29.965   48.188   23.696 19.57216 38.20272 
1 1 1  -16   18   26 o  110.596   27.442   24.590   7.8240   30.278   11.063   18.899   11.067  106.428   34.826   80.764   33.115 25.66389 48.05744 
1 1 1  -16   18   27 o   43.353   21.041  -5.0381   7.4006 -22.8268   10.494   12.562   10.438   39.528   20.044   69.035   30.318 -29.50768 36.34465 
1 1 1  -16   18   28 o   51.300   24.523   0.1256   9.1869  -0.7814   10.917   2.3270   17.007   52.578   25.527   58.632   29.115 -6.053692 38.72100 
1 1 1  -16   18   29 o   49.421   24.621  -6.4943   12.567  -3.6520   19.138  -8.6490   16.663   55.282   27.921   52.092   26.278 3.189960 38.34213 
1 1 1  -16   19    1 o  131.326   17.253   24.671   5.7271   0.0000   0.0000   24.671   5.7271  ?   ?   131.326   17.253 0.000000 17.25338 
1 1 1  -16   19    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   19    3 o  124.937   21.829   23.601   6.8071   0.0000   0.0000   23.601   6.8071  ?   ?   124.937   21.829 0.000000 21.82871 
1 1 1  -16   19    4 o  164.464   15.848   38.066   6.6680   47.440   15.769   36.025   7.3582  154.920   39.249  157.897   18.332 -2.976746 43.31938 
1 1 1  -16   19    5 o   47.385   22.035  -3.3987   6.5408   6.1160   13.506  -6.3140   7.4759   76.629   34.031   46.994   22.369 29.63494 40.72433 
1 1 1  -16   19    6 o   85.792   26.347   12.102   6.4183   1.2990   14.109   14.921   7.2073   71.491   32.933   94.171   27.699 -22.67998 43.03298 
1 1 1  -16   19    7 o   66.275   23.893   6.4772   5.2462   24.450   13.946   3.5148   5.6620  106.937   38.895   58.043   23.730 48.89380 45.56210 
1 1 1  -16   19    8 o  115.552   20.721   20.160   5.9741  -4.9720   15.149   24.788   6.5009   66.723   31.783  128.849   20.137 -62.12627 37.62529 
1 1 1  -16   19    9 f  103.243   22.267   16.586   5.7797   28.320   16.274   14.892   6.1828  109.040   41.546   95.760   24.747 13.28079 48.35765 
1 1 1  -16   19   10 o  185.541   14.734   48.278   7.0228   60.290   17.801   46.064   7.6427  168.780   41.100  179.363   16.639 -10.58350 44.34090 
1 1 1  -16   19   11 o   81.719   25.206   11.072   5.8672   34.470   15.124   6.9262   6.3658  122.101   40.756   67.955   25.962 54.14559 48.32271 
1 1 1  -16   19   12 o   80.719   25.451   10.920   5.9455   15.560   15.107   10.069   6.4675   86.902   37.324   77.276   26.640 9.626190 45.85621 
1 1 1  -16   19   13 o  170.832   16.342   42.071   7.1431   11.790   16.175   49.406   7.9615   81.330   36.596  184.654   16.830 -103.3245 40.28086 
1 1 1  -16   19   14 o  108.789   23.848   19.363   6.5348   2.2500   16.409   22.589   7.1241   71.298   33.703  117.387   24.233 -46.08898 41.51059 
1 1 1  -16   19   15 o   72.042   25.953   8.8057   6.1881   5.1860   16.055   9.4373   6.7062   72.672   34.033   73.803   26.952 -1.130959 43.41220 
1 1 1  -16   19   16 o   82.586   27.027   12.378   6.6625   44.260   16.447   6.1201   7.2871  128.659   42.482   64.795   26.754 63.86395 50.20425 
1 1 1  -16   19   17 o   58.174   26.704   0.9260   9.1649   14.010   15.921  -5.5580   11.208   79.236   35.920   55.183   26.563 24.05303 44.67463 
1 1 1  -16   19   18 o   82.249   31.803   14.564   9.6314 -17.9900   16.843   30.380   11.740   56.344   28.138  114.844   35.694 -58.50001 45.45141 
1 1 1  -16   19   19 o   50.693   23.040   0.3160   6.6042 -16.5900   16.030   3.7720   7.2479   55.225   27.559   58.283   25.438 -3.058270 37.50463 
1 1 1  -16   19   20 o   70.297   27.983   9.4676   7.6438   0.0000   0.0000   9.4676   7.6438  ?   ?    70.297   27.983 0.000000 27.98308 
1 1 1  -16   19   21 o   56.266   25.327   2.7422   7.7542 -23.7100   16.729   9.9805   8.7510   52.054   26.268   70.277   29.192 -18.22266 39.27100 
1 1 1  -16   19   22 o   47.722   22.337  -1.4310   6.9021   3.7130   17.535  -2.3742   7.5083   65.339   31.863   48.040   22.736 17.29906 39.14304 
1 1 1  -16   19   23 o   53.932   24.249   2.6124   7.0852  -5.7380   17.892   4.1655   7.7160   59.521   29.607   57.487   25.615 2.033684 39.14979 
1 1 1  -16   19   24 o   66.713   28.934   9.5915   9.2552  -1.3300   18.153   13.428   10.758   60.793   30.170   72.209   31.257 -11.41580 43.44199 
1 1 1  -16   19   25 o  100.302   32.058   24.914   9.4082   2.2090   17.837   33.665   11.074   61.142   30.266  113.589   34.555 -52.44778 45.93542 
1 1 1  -16   19   26 o   48.387   22.711  -0.0189   7.2186   5.8164   10.300  -5.6508   10.119   59.140   27.551   48.133   23.626 11.00718 36.29369 
1 1 1  -16   19   27 o   53.815   24.329   4.1838   7.2466   1.4366   10.184   7.0010   10.313   53.245   25.550   59.176   27.568 -5.930878 37.58732 
1 1 1  -16   19   28 o   63.249   28.617   11.464   10.049  -2.3600   20.025   16.117   11.618   55.376   28.037   67.678   30.682 -12.30130 41.56252 
1 1 1  -16   20    1 o  273.647   13.915  103.686   9.8310  110.400   18.970  101.220   11.495  256.615   29.051  266.578   16.732 -9.962677 33.52449 
1 1 1  -16   20    2 o  247.487   11.667   83.083   7.4793   79.600   17.721   83.838   8.2501  209.923   33.732  247.056   12.937 -37.13333 36.12746 
1 1 1  -16   20    3 o  186.718   17.558   50.323   8.3921   38.450   17.113   54.083   9.6295  126.024   43.340  191.099   19.738 -65.07451 47.62285 
1 1 1  -16   20    4 o  120.486   33.943   27.654   11.046   24.990   16.196   29.970   15.103  102.765   40.788  114.031   40.602 -11.26654 57.55124 
1 1 1  -16   20    5 o  100.271   25.372   16.552   6.5953   26.220   15.659   14.467   7.2717  105.228   40.590   91.357   28.042 13.87102 49.33416 
1 1 1  -16   20    6 o   87.842   23.932   12.527   5.5936  -4.7880   14.498   15.555   6.0631   64.850   30.946   98.071   24.051 -33.22147 39.19332 
1 1 1  -16   20    7 o  195.944   17.072   55.416   8.5786   62.620   16.310   52.661   10.086  179.873   36.258  185.836   21.341 -5.962967 42.07208 
1 1 1  -16   20    8 o  130.756   19.242   25.573   6.3222   6.6260   15.277   29.488   6.9448   75.981   34.730  140.109   19.678 -64.12816 39.91704 
1 1 1  -16   20    9 o  191.136   18.256   53.799   8.9288   60.230   18.222   51.767   10.243  161.618   42.837  182.573   22.109 -20.95554 48.20573 
1 1 1  -16   20   10 o   89.217   25.423   13.522   6.1601   26.970   16.303   11.282   6.6533  101.640   40.730   80.467   27.032 21.17336 48.88367 
1 1 1  -16   20   11 o   75.177   25.714   9.6090   6.0215   4.1740   15.492   10.576   6.5354   72.037   33.636   77.916   26.784 -5.878677 42.99714 
1 1 1  -16   20   12 o   95.177   24.866   15.389   6.1979   38.200   16.117   11.430   6.7143  119.964   42.014   80.035   27.154 39.92864 50.02474 
1 1 1  -16   20   13 f   69.241   25.537   8.0246   6.0420   7.4580   15.276   8.1297   6.5784   73.569   34.024   69.588   26.438 3.981796 43.08841 
1 1 1  -16   20   14 o   91.226   26.236   14.900   6.5313   11.820   16.053   15.511   7.1498   77.351   35.446   91.386   27.758 -14.03466 45.02157 
1 1 1  -16   20   15 o   90.585   26.248   14.877   6.5154   1.8940   16.408   17.307   7.0991   67.843   32.522   96.960   27.175 -29.11613 42.38101 
1 1 1  -16   20   16 o   41.713   20.287  -7.5954   6.9756 -10.9300   15.272  -6.7164   7.8413   57.430   28.350   45.345   21.924 12.08579 35.83818 
1 1 1  -16   20   17 o   58.787   29.049  -9.5140   16.176  -9.5140   16.176   0.0000   0.0000   58.787   29.049  ?   ?  0.000000 29.04899 
1 1 1  -16   20   18 o   50.349   23.082   0.0610   6.8176   3.7270   16.979  -0.6437   7.4441   66.821   32.296   50.829   23.593 15.99235 39.99603 
1 1 1  -16   20   19 o   67.405   28.384   8.6283   8.4445   0.0000   0.0000   8.6283   8.4445  ?   ?    67.405   28.384 0.000000 28.38419 
1 1 1  -16   20   20 o   56.341   24.732   3.8330   6.9396   10.840   17.233   2.4769   7.5814   69.867   33.449   54.957   24.861 14.90998 41.67671 
1 1 1  -16   20   21 o   61.315   25.893   6.4680   7.0591  -1.9730   16.671   8.3122   7.7922   60.443   29.796   65.382   27.385 -4.938431 40.46886 
1 1 1  -16   20   22 o   90.909   28.270   17.658   7.3634  -8.1450   17.713   23.048   8.0961   57.385   28.688  104.409   28.935 -47.02392 40.74565 
1 1 1  -16   20   23 o   41.874   20.277  -5.0689   6.7725 -32.5900   17.301  -0.0890   7.3598   47.694   24.331   49.316   23.078 -1.622005 33.53505 
1 1 1  -16   20   24 o   48.588   22.748   0.0778   7.1642  -5.3150   17.529   1.1593   7.8497   56.508   28.292   51.246   23.933 5.262653 37.05715 
1 1 1  -16   20   25 o   49.942   23.419   0.9668   7.6455  -7.8190   18.029   2.8931   8.4421   54.656   27.542   53.478   24.923 1.178490 37.14443 
1 1 1  -16   20   26 o   53.360   25.110   3.2658   8.9240   14.620   18.339  -0.2571   10.215   63.016   31.100   51.109   24.786 11.90781 39.76837 
1 1 1  -16   20   27 o   80.129   34.375   28.074   12.786   10.100   20.702   39.160   16.258   58.664   29.555   82.141   36.848 -23.47753 47.23613 
1 1 1  -16   21    1 o   75.169   27.016   9.5135   6.7021   20.490   14.466   6.5134   7.5627   94.261   38.156   67.594   27.506 26.66747 47.03706 
1 1 1  -16   21    2 o  191.460   16.358   52.748   8.0346   34.930   16.316   58.452   9.2315  116.805   42.133  199.463   18.063 -82.65786 45.84158 
1 1 1  -16   21    3 o   59.095   24.678   3.8083   6.3009 -21.5700   13.119   11.418   7.1837   50.111   24.995   80.523   28.058 -30.41222 37.57676 
1 1 1  -16   21    4 o  118.832   18.662   21.137   5.5552   30.350   14.281   19.494   6.0301  112.802   39.547  111.517   21.656 1.284744 45.08771 
1 1 1  -16   21    5 o   83.179   24.083   11.517   5.4869   16.360   13.517   10.562   6.0037   87.045   36.230   78.721   25.651 8.324135 44.39073 
1 1 1  -16   21    6 o   90.890   24.301   13.807   5.8318   26.520   15.249   11.629   6.3116  101.791   39.833   81.799   26.269 19.99210 47.71504 
1 1 1  -16   21    7 o   68.076   24.409   7.4945   5.4677   11.280   14.060   6.8200   5.9349   78.686   34.843   66.103   25.112 12.58294 42.94986 
1 1 1  -16   21    8 o   49.015   21.874   0.2611   5.6505   2.4560   14.181  -0.1531   6.1606   68.391   32.014   49.879   22.502 18.51206 39.13092 
1 1 1  -16   21    9 o   78.085   25.462   10.617   5.9152   3.5230   15.529   11.821   6.3976   70.204   33.064   81.446   26.476 -11.24222 42.35756 
1 1 1  -16   21   10 o  132.848   19.927   27.317   6.6457   23.790   16.680   27.982   7.2457   91.822   39.322  132.336   21.903 -40.51379 45.01133 
1 1 1  -16   21   11 o   52.781   22.993   2.0086   5.8973   5.2430   15.710   1.4780   6.3626   70.619   33.258   52.909   23.434 17.70946 40.68451 
1 1 1  -16   21   12 o   90.888   25.720   14.805   6.3277   20.100   17.107   13.966   6.8107   84.635   37.894   86.425   27.239 -1.789688 46.66826 
1 1 1  -16   21   13 o   86.359   25.996   13.660   6.2918 -10.8700   15.988   18.155   6.8440   58.466   28.888  100.247   26.101 -41.78093 38.93301 
1 1 1  -16   21   14 f   56.173   24.057   3.6179   6.2431 -15.4600   14.712   7.8078   6.8946   53.681   26.726   66.812   26.582 -13.13063 37.69498 
1 1 1  -16   21   15 o   51.304   23.603  -0.0158   7.2149   13.390   16.030  -3.4215   8.0795   74.728   34.663   48.987   23.300 25.74137 41.76616 
1 1 1  -16   21   16 o   85.352   38.188   25.740   17.342   25.740   17.342   0.0000   0.0000   85.352   38.188  ?   ?  0.000000 38.18834 
1 1 1  -16   21   17 o   42.367   20.889 -10.1556   8.2065   0.0000   0.0000 -10.1556   8.2065  ?   ?    42.367   20.889 0.000000 20.88910 
1 1 1  -16   21   18 o   34.850   17.487 -14.5760   6.8754 -45.8000   18.316  -9.4545   7.4178   46.863   23.996   40.400   19.908 6.462387 31.17940 
1 1 1  -16   21   19 o   65.974   26.741   8.6109   7.1150  -0.3992   17.895   10.303   7.7543   61.738   30.516   69.559   28.014 -7.820744 41.42464 
1 1 1  -16   21   20 o   50.458   23.202   1.0052   6.9601   5.7430   18.156   0.1890   7.5358   64.211   31.543   50.420   23.515 13.79046 39.34355 
1 1 1  -16   21   21 o   76.527   28.425   13.522   7.5121   6.7400   18.383   14.882   8.2308   63.727   31.390   78.161   29.602 -14.43384 43.14672 
1 1 1  -16   21   22 o   54.503   24.588   3.8158   7.3572   32.670   18.523  -1.5886   8.0166   79.908   37.133   48.212   23.008 31.69572 43.68317 
1 1 1  -16   21   23 o   52.779   23.948   3.3781   7.0965   23.140   17.929  -0.2934   7.7277   70.906   33.992   48.584   23.015 22.32153 41.04993 
1 1 1  -16   21   24 o   59.791   26.102   7.7554   7.6350 -17.0600   18.675   12.736   8.3661   51.132   26.009   68.877   28.571 -17.74508 38.63665 
1 1 1  -16   21   25 o   82.778   29.584   18.683   8.0259   28.300   19.626   16.751   8.7950   67.905   33.242   74.622   29.911 -6.717667 44.71762 
1 1 1  -16   21   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   22    1 o  101.033   21.877   16.430   5.5594   24.600   14.153   14.939   6.0453   97.881   38.354   93.582   24.611 4.299095 45.57088 
1 1 1  -16   22    2 o   61.666   23.681   5.7094   5.3132   35.880   14.065   0.6872   5.7384  121.562   39.233   49.926   22.177 71.63583 45.06724 
1 1 1  -16   22    3 o  184.847   14.129   48.501   6.7139   44.200   15.537   49.489   7.4449  133.042   41.014  184.870   15.695 -51.82825 43.91493 
1 1 1  -16   22    4 o   80.046   25.170   11.213   5.8189 -15.6800   14.128   16.707   6.3856   54.101   26.808   98.501   24.988 -44.40063 36.64799 
1 1 1  -16   22    5 o   75.493   24.480   9.8451   5.4709   9.4210   13.349   9.9307   5.9978   74.004   33.278   75.058   25.663 -1.054268 42.02417 
1 1 1  -16   22    6 o   82.717   25.414   12.146   5.9711 -15.4100   14.045   18.226   6.5970   53.758   26.654  102.643   25.036 -48.88556 36.56838 
1 1 1  -16   22    7 o   80.541   25.213   11.536   5.8459 -11.2300   14.139   16.230   6.4204   56.142   27.630   95.887   25.433 -39.74460 37.55318 
1 1 1  -16   22    8 o  172.369   16.051   43.678   7.0843   33.750   16.768   45.836   7.8162  103.309   41.339  174.677   17.510 -71.36785 44.89434 
1 1 1  -16   22    9 o   71.277   25.698   9.1164   6.0689 -28.6100   15.402   16.051   6.6031   49.420   24.971   93.790   26.181 -44.36942 36.17968 
1 1 1  -16   22   10 o  168.573   17.226   42.819   7.4159   24.670   17.268   46.924   8.2118   87.505   38.688  174.815   18.411 -87.30971 42.84583 
1 1 1  -16   22   11 o   68.964   25.984   8.6529   6.3213   5.1610   15.814   9.3169   6.8962   67.887   32.375   70.529   27.004 -2.642204 42.15862 
1 1 1  -16   22   12 o   46.056   21.397  -1.4772   6.1457   14.220   15.779  -4.2843   6.6726   75.212   34.712   43.881   20.955 31.33055 40.54652 
1 1 1  -16   22   13 o   64.698   25.841   7.4288   6.5385   20.630   16.178   4.8513   7.1484   80.744   36.441   59.208   25.554 21.53592 44.50771 
1 1 1  -16   22   14 o   50.221   23.651  -1.5160   7.9444   14.140   15.418  -7.1756   9.2698   73.354   34.015   47.504   23.166 25.85012 41.15429 
1 1 1  -16   22   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   22   16 f   78.983   29.990   14.597   8.4618   0.0000   0.0000   14.597   8.4618  ?   ?    78.983   29.990 0.000000 29.99034 
1 1 1  -16   22   17 o   59.018   25.542   5.6331   7.1813  -8.2290   16.435   8.9041   7.9837   56.197   28.022   65.798   27.647 -9.600830 39.36511 
1 1 1  -16   22   18 o   32.782   16.520 -15.1586   6.4916 -12.7500   16.828 -15.5797   7.0363   53.994   27.129   34.330   17.287 19.66445 32.16908 
1 1 1  -16   22   19 o   81.873   28.325   15.303   7.3146   18.210   18.001   14.728   8.0053   70.162   33.746   77.897   29.262 -7.734253 44.66624 
1 1 1  -16   22   20 f   80.714   29.142   15.914   7.8082   5.8210   18.608   18.071   8.6022   61.703   30.609   83.492   30.519 -21.78872 43.22418 
1 1 1  -16   22   21 o  110.717   27.600   26.095   7.8876   37.280   19.662   23.950   8.6109   78.757   37.126   98.627   30.555 -19.87055 48.08278 
1 1 1  -16   22   22 o   91.136   29.125   20.304   7.7654   33.880   19.344   17.696   8.4785   74.337   35.549   79.996   30.102 -5.659103 46.58221 
1 1 1  -16   22   23 o   43.045   20.887  -3.3976   7.2815   23.030   18.834  -8.0421   7.8955   65.839   32.299   40.403   20.024 25.43645 38.00285 
1 1 1  -16   22   24 o   47.160   22.420   0.6944   7.4637   1.6890   18.680   0.5055   8.1419   54.656   27.602   47.855   22.932 6.800961 35.88531 
1 1 1  -16   23    1 o   55.229   22.717   3.9021   5.2282   14.980   13.549   1.9639   5.6672   79.000   34.621   51.508   22.487 27.49178 41.28305 
1 1 1  -16   23    2 o   31.204   15.581 -11.2321   5.1541  -9.0640   13.931 -11.5759   5.5477   56.348   27.671   32.611   16.264 23.73700 32.09661 
1 1 1  -16   23    3 o   60.192   24.183   5.4899   5.7633   16.170   13.679   3.1849   6.3549   80.189   34.974   55.549   24.034 24.63983 42.43607 
1 1 1  -16   23    4 o   74.679   25.730   10.280   6.0326   8.4380   13.855   10.710   6.7012   70.426   32.511   75.052   27.010 -4.626488 42.26743 
1 1 1  -16   23    5 o   55.608   23.568   3.7101   5.8829 -17.8400   13.206   9.0453   6.5709   49.721   24.843   70.055   26.469 -20.33361 36.30165 
1 1 1  -16   23    6 o   64.267   24.696   7.0631   5.7806  -6.3440   14.632   9.5425   6.2924   58.368   28.600   71.551   26.110 -13.18326 38.72639 
1 1 1  -16   23    7 o   78.634   26.591   11.916   6.4385   15.500   15.486   11.168   7.0793   76.706   35.024   75.113   27.652 1.593056 44.62394 
1 1 1  -16   23    8 o   65.908   25.423   7.7935   6.1434   18.710   15.889   5.8748   6.6614   79.322   35.928   61.107   25.434 18.21504 44.01915 
1 1 1  -16   23    9 o   54.378   23.708   3.1587   6.2807   19.630   15.366  -0.1451   6.8818   80.075   35.878   49.822   22.969 30.25252 42.60111 
1 1 1  -16   23   10 o   47.759   21.721   0.2991   5.8826   8.4820   15.561  -1.0654   6.3542   68.237   32.421   46.835   21.759 21.40161 39.04553 
1 1 1  -16   23   11 o   62.706   25.041   6.9823   6.1393   4.4170   15.422   7.4655   6.6925   64.385   31.034   63.979   25.934 0.4053459 40.44393 
1 1 1  -16   23   12 o   79.536   27.427   13.198   6.8556   28.970   16.853   10.070   7.5047   85.924   38.093   69.587   27.719 16.33685 47.11072 
1 1 1  -16   23   13 o   61.161   27.775   5.7678   9.5721   0.0000   0.0000   5.7678   9.5721  ?   ?    61.161   27.775 0.000000 27.77460 
1 1 1  -16   23   14 o   43.848   21.818 -12.3200   9.7474   0.0000   0.0000 -12.3200   9.7474  ?   ?    43.848   21.818 0.000000 21.81812 
1 1 1  -16   23   15 o   65.591   26.959   9.0034   7.3566   6.4700   17.200   9.5706   8.1386   63.629   31.142   66.340   27.897 -2.711334 41.80978 
1 1 1  -16   23   16 o   51.237   23.439   1.9126   6.9776   10.210   16.913   0.2108   7.6598   65.094   31.642   50.011   23.448 15.08249 39.38337 
1 1 1  -16   23   17 o   60.385   25.518   7.0950   6.8647  -4.5430   16.858   9.4086   7.5161   56.274   28.110   65.183   27.063 -8.908566 39.02081 
1 1 1  -16   23   18 o   45.560   21.662  -1.6097   6.9710   17.350   16.428  -5.7736   7.6985   68.106   32.620   42.881   20.955 25.22472 38.77091 
1 1 1  -16   23   19 o   87.678   28.565   18.330   7.4456   10.600   17.933   19.940   8.1843   62.166   30.694   88.466   29.979 -26.30082 42.90538 
1 1 1  -16   23   20 o   43.610   21.015  -2.7468   7.0601  -9.1620   17.916  -1.5673   7.6817   52.722   26.673   46.158   22.160 6.564144 34.67764 
1 1 1  -16   23   21 o   45.381   21.728  -1.0868   7.2750 -32.8800   18.419   4.7899   7.9189   45.796   23.493   53.721   24.720 -7.924477 34.10295 
1 1 1  -16   23   22 o   52.117   23.997   4.4802   7.4783   10.850   19.149   3.3338   8.1235   57.926   29.082   51.003   23.988 6.922951 37.69861 
1 1 1  -16   23   23 o   61.561   26.629   10.885   7.7971   2.6980   19.493   12.444   8.5073   53.554   27.173   63.173   27.566 -9.618805 38.70747 
1 1 1  -16   24    1 o   73.886   28.149   11.294   7.4706   8.0470   14.983   12.369   8.6182   67.920   32.137   75.046   29.764 -7.125542 43.80232 
1 1 1  -16   24    2 o   39.978   19.146  -4.3442   5.6559 -22.6700   14.148  -0.8581   6.1704   48.171   24.290   46.659   21.594 1.512619 32.50083 
1 1 1  -16   24    3 o   52.765   22.887   2.9616   5.7915  -1.5480   14.259   3.8525   6.3378   59.644   29.007   55.630   24.036 4.013588 37.67139 
1 1 1  -16   24    4 o   57.979   23.849   5.2081   5.7624   14.560   14.814   3.5407   6.2550   73.553   33.832   54.734   23.763 18.81923 41.34372 
1 1 1  -16   24    5 o   91.132   25.583   15.799   6.2865   21.480   14.755   14.539   6.9487   81.270   35.856   84.059   27.606 -2.789047 45.25144 
1 1 1  -16   24    6 o  120.737   21.403   24.527   6.4486   28.800   15.118   23.576   7.1297   90.135   37.968  113.582   24.918 -23.44716 45.41494 
1 1 1  -16   24    7 o  127.371   21.296   27.298   6.7782   11.320   15.211   31.256   7.5714   69.099   32.598  134.667   22.499 -65.56845 39.60863 
1 1 1  -16   24    8 o   57.788   24.791   5.0866   6.6507  -1.6830   15.611   6.5877   7.3512   59.397   29.193   61.394   26.194 -1.997814 39.22136 
1 1 1  -16   24    9 o  106.459   25.199   21.341   6.8409   17.670   16.636   22.088   7.5048   73.010   34.335  104.921   27.338 -31.91107 43.88927 
1 1 1  -16   24   10 f   73.357   27.143   11.570   6.8369 -14.5800   16.264   17.183   7.5350   52.910   26.596   88.086   28.738 -35.17583 39.15646 
1 1 1  -16   24   11 o   98.180   29.454   21.484   8.0867   0.0000   0.0000   21.484   8.0867  ?   ?    98.180   29.454 0.000000 29.45370 
1 1 1  -16   24   12 o   58.439   28.136   2.7540   12.588   0.0000   0.0000   2.7540   12.588  ?   ?    58.439   28.136 0.000000 28.13577 
1 1 1  -16   24   13 o   60.217   27.246   6.6637   9.1106   9.5300   16.709   5.4510   10.868   64.070   31.214   59.437   27.887 4.633572 41.85683 
1 1 1  -16   24   14 o   45.423   21.802  -2.7860   7.4246 -19.4500   16.366   1.5325   8.3313   49.671   25.171   52.158   24.454 -2.486095 35.09372 
1 1 1  -16   24   15 o   48.812   23.108  -0.1692   7.7670   12.850   17.351  -3.4318   8.6859   64.453   31.489   47.043   22.823 17.40999 38.89045 
1 1 1  -16   24   16 o   46.140   21.858  -0.8174   6.9718   24.410   17.542  -5.5498   7.5976   70.998   33.925   42.485   20.773 28.51307 39.77977 
1 1 1  -16   24   17 f   41.992   20.340  -3.8112   6.8271 -10.8400   16.230  -2.3001   7.5252   51.058   25.779   45.161   21.746 5.896767 33.72557 
1 1 1  -16   24   18 o   88.820   28.264   19.191   7.3191   37.010   17.994   15.659   8.0119   76.881   36.012   75.125   29.018 1.756241 46.24792 
1 1 1  -16   24   19 o   40.072   19.635  -5.1814   6.8957 -44.1900   16.541   3.0243   7.5863   41.110   21.141   50.579   23.590 -9.469208 31.67714 
1 1 1  -16   24   20 o  104.433   28.309   26.283   7.8497   12.230   18.784   29.257   8.6403   57.903   29.033  106.545   30.022 -48.64168 41.76393 
1 1 1  -16   24   21 o   45.986   22.151   0.1742   7.8246 -11.9200   18.108   2.9507   8.6764   48.541   24.775   49.716   23.784 -1.175720 34.34361 
1 1 1  -16   25    1 o  102.569   25.410   20.143   6.7162   13.818   9.6787   26.017   9.3274   73.729   30.670  105.370   31.638 -31.64089 44.06311 
1 1 1  -16   25    2 o   83.263   28.974   15.795   7.6592   12.260   14.929   17.058   8.9231   68.188   32.207   82.412   30.907 -14.22458 44.63723 
1 1 1  -16   25    3 o   91.413   25.471   16.387   6.2560   21.380   16.339   15.530   6.7721   75.472   35.003   85.848   27.173 -10.37606 44.31283 
1 1 1  -16   25    4 o  102.052   25.309   20.037   6.6575   9.2470   15.295   22.559   7.3948   65.224   31.302  106.081   26.879 -40.85798 41.25856 
1 1 1  -16   25    5 o   80.904   26.808   13.908   6.5474   0.8477   15.229   16.869   7.2518   59.154   29.025   87.588   28.161 -28.43316 40.44129 
1 1 1  -16   25    6 o   77.949   26.250   12.800   6.2745   7.1810   14.850   14.021   6.9228   62.974   30.380   79.580   27.554 -16.60576 41.01424 
1 1 1  -16   25    7 o   46.703   21.760  -0.2698   6.4274 -12.7300   14.976   2.5435   7.1161   51.327   25.762   52.371   23.846 -1.043957 35.10428 
1 1 1  -16   25    8 o   69.990   27.482   11.229   7.2791   0.0000   0.0000   11.229   7.2791  ?   ?    69.990   27.482 0.000000 27.48168 
1 1 1  -16   25    9 o   42.960   21.092  -7.0171   8.0835   0.0000   0.0000  -7.0171   8.0835  ?   ?    42.960   21.092 0.000000 21.09223 
1 1 1  -16   25   10 o   55.119   26.020   2.9186   9.7213   8.7000   16.526  -0.1407   12.021   62.425   30.547   54.457   26.518 7.967716 40.45187 
1 1 1  -16   25   11 o   49.753   23.636   0.0013   8.2657   22.720   17.121  -6.9031   9.4385   71.140   33.860   45.518   22.435 25.62178 40.61803 
1 1 1  -16   25   12 o   38.623   19.299 -11.7818   7.9696  -9.8460   16.193 -12.4006   9.1552   52.092   26.231   41.044   20.535 11.04765 33.31244 
1 1 1  -16   25   13 o   53.711   24.368   4.2971   7.3461  -7.4720   16.341   7.2780   8.2239   52.680   26.505   58.875   26.323 -6.195534 37.35503 
1 1 1  -16   25   14 o   47.053   22.462  -0.6179   7.6527   24.040   17.303  -6.6139   8.5326   68.888   33.121   43.130   21.272 25.75811 39.36396 
1 1 1  -16   25   15 o   40.850   19.905  -4.4444   6.8040   2.6610   17.255  -5.7527   7.4040   56.036   28.058   41.074   20.171 14.96227 34.55574 
1 1 1  -16   25   16 o   61.772   26.203   9.6263   7.2811   0.0647   17.826   11.541   7.9768   54.311   27.370   64.643   27.423 -10.33121 38.74496 
1 1 1  -16   25   17 o   52.897   23.822   5.2829   6.8707   9.2100   16.610   4.4722   7.5466   57.012   28.387   51.908   23.974 5.103687 37.15579 
1 1 1  -16   25   18 o   62.469   26.241   10.768   7.1886   4.2630   16.929   12.199   7.9399   53.736   27.028   63.881   27.238 -10.14532 38.37196 
1 1 1  -16   25   19 o   48.164   22.562   3.0791   7.0660  -6.1230   17.679   4.8287   7.7085   49.334   25.115   50.885   23.748 -1.551186 34.56527 
1 1 1  -16   25   20 o   44.853   21.685   0.4006   7.6683  -7.2050   18.565   1.9652   8.4201   48.307   24.690   47.127   22.770 1.179523 33.58668 
1 1 1  -16   26    1 o   61.581   25.273   7.7863   6.4532   3.3173   9.4780   11.648   8.8108   55.290   25.974   67.717   28.778 -12.42615 38.76654 
1 1 1  -16   26    2 o   58.602   25.899   6.4670   7.7311   15.460   15.234   3.3477   8.9722   67.235   31.984   54.787   25.587 12.44743 40.95923 
1 1 1  -16   26    3 o   53.926   23.666   4.4407   6.3506   5.8030   17.615   4.2371   6.8084   60.543   29.988   53.960   24.051 6.583088 38.44122 
1 1 1  -16   26    4 o   50.083   23.128   1.7914   7.0210   0.0000   0.0000   1.7914   7.0210  ?   ?    50.083   23.128 0.000000 23.12844 
1 1 1  -16   26    5 o   79.928   28.825   15.948   7.6365   0.0000   0.0000   15.948   7.6365  ?   ?    79.928   28.825 0.000000 28.82540 
1 1 1  -16   26    6 o   55.743   25.345   5.0634   8.0015   0.0000   0.0000   5.0634   8.0015  ?   ?    55.743   25.345 0.000000 25.34490 
1 1 1  -16   26    7 o   47.575   22.445   0.0757   7.2129   6.7170   15.266  -1.8330   8.1840   59.432   29.141   47.127   22.689 12.30537 36.93179 
1 1 1  -16   26    8 o   85.680   31.094   20.719   8.9058   19.810   16.933   21.066   10.471   67.061   32.374   79.765   32.402 -12.70329 45.80328 
1 1 1  -16   26    9 o   83.243   31.416   20.688   9.2497  -1.4730   17.463   29.331   10.905   55.228   27.734   94.827   34.408 -39.59857 44.19373 
1 1 1  -16   26   10 o  109.981   30.515   29.947   8.9992   16.950   16.852   35.133   10.644   63.901   31.178  110.521   33.927 -46.61965 46.07760 
1 1 1  -16   26   11 o   92.386   27.396   19.837   7.0263   8.5580   17.359   22.047   7.6839   58.510   29.114   94.891   28.766 -36.38163 40.92784 
1 1 1  -16   26   12 o   44.313   21.304  -1.5612   7.1553 -22.0400   17.277   2.6784   7.8611   46.993   24.002   50.382   23.664 -3.389034 33.70597 
1 1 1  -16   26   13 o   64.578   27.722   12.193   8.3262   14.070   17.852   11.672   9.4126   59.463   29.578   62.119   27.938 -2.655964 40.68618 
1 1 1  -16   26   14 o   47.638   22.691   1.2928   7.7200  -4.7890   16.562   2.9811   8.7260   50.712   25.655   50.464   24.061 0.2482109 35.17292 
1 1 1  -16   26   15 o   56.121   24.726   7.6532   6.9925   17.780   17.731   5.7883   7.6092   59.135   29.425   52.859   24.289 6.275406 38.15512 
1 1 1  -16   26   16 o   51.854   23.622   5.6318   6.9938   18.200   17.432   3.2205   7.6353   58.213   29.000   48.714   23.016 9.498230 37.02370 
1 1 1  -16   26   17 o   75.385   28.310   17.654   7.4914   35.070   17.407   13.695   8.2993   65.752   31.995   63.193   27.404 2.558960 42.12612 
1 1 1  -16   26   18 o   31.662   16.103 -16.2985   7.1352 -16.8500   16.333 -16.1684   7.9321   43.961   22.522   33.608   17.081 10.35385 28.26694 
1 1 1  -16   27    1 f   36.049   18.043 -11.3434   7.1017 -20.5600   9.2144   2.1410   11.145   36.412   18.497   53.237   25.834 -16.82473 31.77315 
1 1 1  -16   27    2 o   43.962   21.146  -2.0815   7.0696  -4.1354   9.0056   1.2170   11.412   45.612   22.368   52.600   25.663 -6.988026 34.04295 
1 1 1  -16   27    3 o   52.617   24.793   3.4937   8.7519   16.020   16.056  -1.8010   10.439   63.065   30.696   49.297   24.156 13.76790 39.06125 
1 1 1  -16   27    4 o   60.524   25.207   8.4586   6.5491   34.390   16.277   3.4497   7.1537   77.423   35.558   51.078   23.501 26.34545 42.62193 
1 1 1  -16   27    5 o   51.564   23.203   4.1874   6.5030  -8.9050   15.847   6.8384   7.1311   50.132   25.330   56.568   24.944 -6.436119 35.55012 
1 1 1  -16   27    6 o   75.065   29.733   17.183   8.5901  -4.9680   15.798   26.481   10.235   51.369   25.872   88.525   33.120 -37.15660 42.02766 
1 1 1  -16   27    7 o   54.244   25.257   5.6024   8.6378   24.080   16.091  -1.8771   10.238   66.928   32.116   48.242   23.696 18.68566 39.91188 
1 1 1  -16   27    8 o   59.183   26.626   9.3617   8.5572   28.080   16.952   2.9609   9.9129   67.952   32.699   51.641   24.889 16.31142 41.09402 
1 1 1  -16   27    9 o   57.033   24.817   7.6872   6.8535   18.070   16.753   5.6005   7.5106   61.042   30.048   53.251   24.344 7.790554 38.67226 
1 1 1  -16   27   10 o   43.457   20.875  -0.9761   6.8380   24.940   17.709  -5.5169   7.4129   63.341   31.124   40.201   19.827 23.14077 36.90257 
1 1 1  -16   27   11 o   48.519   22.493   3.2626   6.7357   2.6240   17.173   3.3787   7.3225   52.585   26.545   49.148   23.006 3.436413 35.12732 
1 1 1  -16   27   12 o   44.173   21.356  -0.6031   7.4363  -7.7060   16.437   1.2248   8.3384   48.179   24.497   47.096   22.731 1.083630 33.41877 
1 1 1  -16   27   13 o   52.032   24.086   6.1596   7.6823  -2.2340   17.117   8.2767   8.5967   49.540   25.170   54.618   25.352 -5.078060 35.72474 
1 1 1  -16   27   14 o   46.308   21.999   2.4295   7.1609   37.030   17.904  -4.1594   7.8130   64.953   31.786   40.751   20.146 24.20172 37.63324 
1 1 1  -16   27   15 o   43.978   21.234   0.7700   7.2911 -21.7600   17.538   5.4773   8.0167   43.378   22.290   49.696   23.512 -6.317783 32.39836 
1 1 1  -16   28    1 o   45.783   21.460   1.5142   6.4081  -6.5194   9.0397   9.6290   9.0853   42.345   21.061   57.861   26.571 -15.51574 33.90509 
1 1 1  -16   28    2 o   46.370   21.865   1.5805   6.8297   11.208   9.9965  -6.8473   9.3529   59.028   27.378   42.564   21.210 16.46446 34.63292 
1 1 1  -16   28    3 o   53.370   24.870   6.2760   8.4016 -14.3800   15.664   14.618   9.9547   46.116   23.493   63.359   28.591 -17.24347 37.00485 
1 1 1  -16   28    4 o   63.616   27.795   13.399   8.6736   12.800   16.179   13.640   10.275   56.691   28.192   61.246   28.174 -4.555805 39.85683 
1 1 1  -16   28    5 o   54.449   24.920   7.3266   7.9006   8.4470   16.040   6.9678   9.0781   54.313   27.174   53.716   25.293 0.5965500 37.12342 
1 1 1  -16   28    6 o  124.020   29.354   38.891   9.2836   16.180   16.975   48.582   11.089   57.234   28.529  129.802   32.929 -72.56851 43.56855 
1 1 1  -16   28    7 o   79.345   28.175   18.324   7.2684   3.6120   16.368   21.938   8.1122   51.541   26.006   83.873   29.767 -32.33160 39.52745 
1 1 1  -16   28    8 o   47.629   22.327   3.3095   6.9400 -14.3700   15.731   7.5819   7.7333   44.955   22.957   53.826   24.642 -8.870411 33.67883 
1 1 1  -16   28    9 o   79.151   28.246   18.895   7.3139   8.1020   17.647   21.133   8.0366   52.188   26.412   80.390   29.482 -28.20127 39.58211 
1 1 1  -16   28   10 o   49.523   22.920   5.1960   6.9519   21.970   17.376   1.9991   7.5855   56.937   28.456   45.786   21.992 11.15100 35.96392 
1 1 1  -16   28   11 o   70.092   28.536   18.111   8.1449   24.600   17.622   16.348   9.1849   56.942   28.489   62.826   27.973 -5.883911 39.92633 
1 1 1  -16   28   12 o   47.551   22.641   4.4207   7.6712   13.390   16.872   2.0832   8.6130   51.909   26.217   45.624   22.267 6.285240 34.39719 
1 1 1  -16   28   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   29    1 o   46.167   22.994  -0.1406   10.930   6.9930   15.476  -7.2410   15.440   50.735   25.560   45.715   23.292 5.019741 34.58042 
1 1 1  -16   29    2 o   51.051   25.082   7.4129   11.493 -11.0100   16.196   26.100   16.312   44.938   22.976   59.105   29.200 -14.16735 37.15504 
1 1 1  -16   29    3 o   57.323   25.926   11.504   8.2399   4.4894   9.6132   30.930   15.997   48.591   23.673   62.076   30.307 -13.48450 38.45727 
1 1 1  -16   29    4 o   37.999   19.020  -7.2225   7.8973 -16.0200   15.490  -4.1323   9.1801   42.879   21.965   41.834   20.873 1.045021 30.30144 
1 1 1  -16   29    5 o   45.362   21.342   3.0668   6.4406  -9.9700   15.598   5.7463   7.0715   44.333   22.657   49.302   22.921 -4.969498 32.22932 
1 1 1  -16   29    6 o   51.475   23.393   7.2780   6.8063   9.4360   16.610   6.8426   7.4615   50.248   25.451   50.416   23.474 -0.1684990 34.62364 
1 1 1  -16   29    7 o   43.130   20.695   1.5460   6.6783 -11.8000   15.688   4.4998   7.3805   43.299   22.175   47.046   22.345 -3.747303 31.48063 
1 1 1  -16   29    8 o   53.597   24.491   9.7374   7.5908  -2.5150   16.724   12.917   8.5189   45.730   23.378   56.679   25.917 -10.94886 34.90361 
1 1 1  -15    0    1 o  203.905   12.800   54.804   6.6996   54.804   6.6996   54.804   6.6996  203.905   12.800  203.905   12.800 0.000000 0.000000 
1 1 1  -15    0    2 o  111.337   19.196   17.600   5.0424   17.600   5.0424   17.600   5.0424  111.337   19.196  111.337   19.196 0.000000 0.000000 
1 1 1  -15    0    3 o   49.703   25.914   4.7822   4.3572   4.7822   4.3572   4.7822   4.3572   49.703   25.914   49.703   25.914 0.000000 0.000000 
1 1 1  -15    0    4 f  355.678   16.565  166.600   15.186  166.600   15.186  166.600   15.186  355.678   16.565  355.678   16.565 -0.000000 0.000000 
1 1 1  -15    0    5 o  128.037   19.736   22.968   6.0827   22.968   6.0827   22.968   6.0827  128.037   19.736  128.037   19.736 0.000000 0.000000 
1 1 1  -15    0    6 o   51.198   27.805   4.9769   5.1925   4.9769   5.1925   4.9769   5.1925   51.198   27.805   51.198   27.805 -0.000000 0.000000 
1 1 1  -15    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15    0    8 o   47.550   27.390   3.8724   5.4195   3.8724   5.4195   3.8724   5.4195   47.550   27.390   47.550   27.390 0.000000 0.000000 
1 1 1  -15    0    9 o   47.509   27.961   3.5985   5.8474   3.5985   5.8474   3.5985   5.8474   47.509   27.961   47.509   27.961 0.000000 0.000000 
1 1 1  -15    0   10 o  285.680   14.309  107.462   10.528  107.462   10.528  107.462   10.528  285.680   14.309  285.680   14.309 0.000000 0.000000 
1 1 1  -15    0   11 o   41.828   26.696   0.7917   6.4263   0.7917   6.4263   0.7917   6.4263   41.828   26.696   41.828   26.696 -0.000000 0.000000 
1 1 1  -15    0   12 o  165.332   19.301   37.430   7.9716   37.430   7.9716   37.430   7.9716  165.332   19.301  165.332   19.301 -0.000000 0.000000 
1 1 1  -15    0   13 o  177.920   19.147   43.136   8.5657   43.136   8.5657   43.136   8.5657  177.920   19.147  177.920   19.147 -0.000000 0.000000 
1 1 1  -15    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15    0   15 o  211.451   17.795   60.157   9.5882   60.157   9.5882   60.157   9.5882  211.451   17.795  211.451   17.795 0.000000 0.000000 
1 1 1  -15    0   16 o  476.112   14.029  297.917   17.268  297.917   17.268  297.917   17.268  476.112   14.029  476.112   14.029 0.000000 0.000000 
1 1 1  -15    0   17 o   64.138   33.917   8.4020   7.5436   8.4020   7.5436   8.4020   7.5436   64.138   33.917   64.138   33.917 -0.000000 0.000000 
1 1 1  -15    0   18 f   53.124   31.606   4.6968   7.6154   4.6968   7.6154   4.6968   7.6154   53.124   31.606   53.124   31.606 0.000000 0.000000 
1 1 1  -15    0   19 o  256.593   25.910   92.120   16.818   92.120   16.818   92.120   16.818  256.593   25.910  256.593   25.910 -0.000000 0.000000 
1 1 1  -15    0   20 o   67.395   40.601   8.4320   12.881   8.4320   12.881   8.4320   12.881   67.395   40.601   67.395   40.601 -0.000000 0.000000 
1 1 1  -15    0   21 o   51.958   32.218   3.6719   8.6501   3.6719   8.6501   3.6719   8.6501   51.958   32.218   51.958   32.218 0.000000 0.000000 
1 1 1  -15    0   22 o  295.037   16.359  116.803   12.414  116.803   12.414  116.803   12.414  295.037   16.359  295.037   16.359 -0.000000 0.000000 
1 1 1  -15    0   23 o  194.836   28.810   56.240   13.606   56.240   13.606   56.240   13.606  194.836   28.810  194.836   28.810 0.000000 0.000000 
1 1 1  -15    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15    0   25 o  139.636   29.781   30.665   9.4652   30.665   9.4652   30.665   9.4652  139.636   29.781  139.636   29.781 0.000000 0.000000 
1 1 1  -15    0   26 o  107.687   37.961   22.200   9.6160   22.200   9.6160   22.200   9.6160  107.687   37.961  107.687   37.961 -0.000000 0.000000 
1 1 1  -15    0   27 o   75.778   38.820   13.585   9.6625   13.585   9.6625   13.585   9.6625   75.778   38.820   75.778   38.820 0.000000 0.000000 
1 1 1  -15    0   28 o   54.633   33.893   5.4594   9.5840   5.4594   9.5840   5.4594   9.5840   54.633   33.893   54.633   33.893 -0.000000 0.000000 
1 1 1  -15    0   29 o   89.362   39.989   18.340   9.8559   18.340   9.8559   18.340   9.8559   89.362   39.989   89.362   39.989 0.000000 0.000000 
1 1 1  -15    0   30 o  247.926   20.127   87.468   12.730   87.468   12.730   87.468   12.730  247.926   20.127  247.926   20.127 -0.000000 0.000000 
1 1 1  -15    0   31 o   57.718   35.649   7.8521   10.485   7.8521   10.485   7.8521   10.485   57.718   35.649   57.718   35.649 -0.000000 0.000000 
1 1 1  -15    0   32 o   50.645   34.310   1.6150   13.381   1.6150   13.381   1.6150   13.381   50.645   34.310   50.645   34.310 -0.000000 0.000000 
1 1 1  -15    0   33 o   50.492   32.966   4.5766   10.562   4.5766   10.562   4.5766   10.562   50.492   32.966   50.492   32.966 0.000000 0.000000 
1 1 1  -15    0   34 o  189.497   28.222   59.191   12.948   59.191   12.948   59.191   12.948  189.497   28.222  189.497   28.222 -0.000000 0.000000 
1 1 1  -15    0   35 o  107.181   43.533   29.585   11.850   29.585   11.850   29.585   11.850  107.181   43.533  107.181   43.533 0.000000 0.000000 
1 1 1  -15    0   36 o   37.165   26.315  -5.8803   10.471  -5.8803   10.471  -5.8803   10.471   37.165   26.315   37.165   26.315 0.000000 0.000000 
1 1 1  -15    0   37 o  112.548   44.225   34.384   12.363   34.384   12.363   34.384   12.363  112.548   44.225  112.548   44.225 -0.000000 0.000000 
1 1 1  -15    0   38 o   40.226   28.308  -1.6210   11.531  -1.6210   11.531  -1.6210   11.531   40.226   28.308   40.226   28.308 0.000000 0.000000 
1 1 1  -15    1    1 o   49.323   16.800   2.9680   2.5701   6.3893   3.3320  -2.0579   4.0384   68.364   18.407   40.263   18.186 28.10122 25.87526 
1 1 1  -15    1    2 o  139.586   10.625   25.556   3.8130   26.897   5.2227   24.026   5.5798  142.508   14.343  134.137   16.401 8.371857 21.78779 
1 1 1  -15    1    3 o  112.369   13.866   16.792   3.9504   16.890   5.9861   16.716   5.2579  110.807   21.632  110.902   18.986 -0.9487152E-01 28.78215 
1 1 1  -15    1    4 o  303.302   10.530  119.990   8.2731  119.847   9.9959  120.300   14.740  302.624   12.752  300.746   19.020 1.878235 22.89875 
1 1 1  -15    1    5 o  144.191   17.388   27.831   6.3633   33.320   10.884   24.980   7.8435  154.328   28.269  134.773   23.311 19.55507 36.64046 
1 1 1  -15    1    6 f  254.222   9.5711   84.220   6.3027   82.569   8.9126   85.871   8.9141  250.532   13.787  255.583   13.513 -5.051300 19.30469 
1 1 1  -15    1    7 o  440.677   9.0672  252.943   10.350  250.749   14.686  255.109   14.589  437.474   12.960  441.338   12.761 -3.863464 18.18835 
1 1 1  -15    1    8 o  365.189   9.2222  173.775   8.7238  180.709   12.493  167.178   12.187  371.301   12.990  357.069   13.176 14.23245 18.50263 
1 1 1  -15    1    9 f  223.954   10.613   65.500   6.1564   64.330   8.7196   66.663   8.6934  220.442   15.367  224.525   15.035 -4.083313 21.49814 
1 1 1  -15    1   10 o  323.645   9.6380  136.629   8.0799  133.406   11.533  139.736   11.324  318.564   13.976  326.229   13.400 -7.665131 19.36217 
1 1 1  -15    1   11 o   98.564   19.347   13.372   4.7631   17.729   6.6873   8.8841   6.7860  112.590   23.680   81.909   27.299 30.68106 36.13848 
1 1 1  -15    1   12 o  256.966   10.714   86.338   7.1315   73.283   10.096   99.340   10.075  234.602   16.723  274.298   14.229 -39.69548 21.95731 
1 1 1  -15    1   13 o  345.294   14.079  157.090   12.592   0.0000   0.0000  157.090   12.592  ?   ?   345.294   14.079 0.000000 14.07897 
1 1 1  -15    1   14 o  406.893   21.077  223.700   22.139  223.700   22.139   0.0000   0.0000  406.893   21.077  ?   ?  0.000000 21.07731 
1 1 1  -15    1   15 o   76.355   23.324   8.0326   5.0377   8.3870   7.4001   7.7265   6.8773   80.791   28.457   77.884   27.433 2.907547 39.52697 
1 1 1  -15    1   16 o  109.995   20.240   16.785   5.5542   20.844   7.9254   12.868   7.7861  120.656   26.116   94.856   29.000 25.80010 39.02651 
1 1 1  -15    1   17 o  417.755   11.686  229.443   12.646  232.278   15.454  223.700   21.998  418.815   14.245  405.339   21.024 13.47635 25.39531 
1 1 1  -15    1   18 o  158.919   17.889   34.326   7.2359   33.881   8.6318   35.380   13.271  156.072   21.959  152.525   34.410 3.546234 40.81947 
1 1 1  -15    1   19 o  180.398   16.986   44.050   7.8439   47.353   9.1577   34.950   15.199  185.963   19.292  147.606   39.121 38.35669 43.61948 
1 1 1  -15    1   20 o  179.120   17.421   43.664   7.9806   48.270   15.217   41.916   9.3730  177.116   34.408  173.441   21.312 3.675339 40.47306 
1 1 1  -15    1   21 o   62.493   25.792   2.6845   6.7677   0.9391   13.400   3.2821   7.8412   77.405   34.159   67.108   27.734 10.29710 44.00026 
1 1 1  -15    1   22 o  153.341   20.838   33.067   8.0625   24.170   14.871   36.771   9.5950  119.670   40.413  159.941   23.892 -40.27143 46.94691 
1 1 1  -15    1   23 o  129.289   35.659   27.470   12.329   27.470   12.329   0.0000   0.0000  129.289   35.659  ?   ?  0.000000 35.65906 
1 1 1  -15    1   24 f   88.874   28.002   11.959   7.1979   4.5940   14.048   14.581   8.3817   81.857   35.575   96.804   30.172 -14.94695 46.64642 
1 1 1  -15    1   25 o  198.774   13.751   53.340   7.0368   55.911   10.246   51.046   9.6810  199.036   20.151  190.279   19.938 8.757187 28.34785 
1 1 1  -15    1   26 o   44.015   20.627  -4.7089   5.9159 -12.8993   8.1951   4.2038   8.5488   44.256   21.626   69.169   28.802 -24.91262 36.01730 
1 1 1  -15    1   27 o  159.807   17.650   35.768   7.1844   40.329   9.9636   30.828   10.369  164.826   24.045  139.211   29.663 25.61502 38.18394 
1 1 1  -15    1   28 o  156.928   17.473   34.623   6.9819   34.330   9.7962   34.926   9.9533  149.329   26.286  150.443   26.510 -1.114136 37.33261 
1 1 1  -15    1   29 o   80.370   27.148   10.095   6.7110   9.7421   9.6149   10.430   9.3713   80.857   31.632   82.266   31.483 -1.408661 44.62962 
1 1 1  -15    1   30 o  234.413   21.005   80.830   12.619   0.0000   0.0000   80.830   12.619  ?   ?   234.413   21.005 0.000000 21.00514 
1 1 1  -15    1   31 o  132.415   23.457   27.156   7.7511   20.007   10.878   34.530   11.047  102.386   34.563  141.303   31.032 -38.91650 46.44983 
1 1 1  -15    1   32 o   77.843   34.241   8.3330   13.362   8.3330   13.362   0.0000   0.0000   77.843   34.241  ?   ?  0.000000 34.24143 
1 1 1  -15    1   33 o   64.732   27.322   4.9204   7.8533   15.773   11.510  -4.5328   10.742   88.551   34.619   57.273   27.132 31.27800 43.98383 
1 1 1  -15    1   34 o   33.647   17.023 -21.1541   7.2957 -17.1398   10.451 -24.9695   10.189   45.867   22.784   40.807   20.581 5.059727 30.70346 
1 1 1  -15    1   35 o   81.984   29.513   12.726   8.0013   2.5362   11.487   22.329   11.151   64.929   29.839  100.599   34.963 -35.66916 45.96513 
1 1 1  -15    1   36 o   52.837   24.291  -0.4642   7.6221   9.8540   10.719 -11.0161   10.840   73.421   31.485   50.010   24.528 23.41086 39.91137 
1 1 1  -15    1   37 o   72.089   28.119   9.8436   7.5807   18.043   10.212  -0.2202   11.314   88.306   33.074   59.342   28.031 28.96397 43.35476 
1 1 1  -15    1   38 o   58.376   25.838   4.0181   7.7234  -1.6700   10.807   9.9566   11.042   55.817   26.659   69.922   30.925 -14.10464 40.82931 
1 1 1  -15    2    1 o  188.629   9.1508   46.325   4.4711   45.248   6.1727   47.513   6.4851  185.508   12.927  190.042   13.257 -4.534271 18.51612 
1 1 1  -15    2    2 o  118.181   12.987   18.494   3.9102   20.270   5.4972   16.676   5.5631  122.681   17.820  110.452   20.188 12.22956 26.92804 
1 1 1  -15    2    3 o  183.465   11.638   44.143   5.5021   48.448   6.5497   33.820   10.142  191.893   13.258  156.456   25.934 35.43738 29.12673 
1 1 1  -15    2    4 o  181.879   10.355   43.279   4.8583   46.730   6.6919   39.432   7.0646  188.299   13.816  172.356   16.007 15.94264 21.14479 
1 1 1  -15    2    5 o  186.230   11.713   45.501   5.6214   43.142   6.8772   50.250   9.7578  180.615   14.831  193.561   19.738 -12.94560 24.68888 
1 1 1  -15    2    6 f  207.135   10.199   55.962   5.4724   51.105   7.5039   61.479   7.9980  196.639   14.842  215.899   14.384 -19.26086 20.66802 
1 1 1  -15    2    7 o  262.317   9.6212   89.698   6.5374   93.705   9.2834   85.755   9.2076  266.963   13.468  255.209   13.982 11.75427 19.41330 
1 1 1  -15    2    8 o  291.812   9.4952  111.007   7.1772  119.728   10.370  102.987   9.9439  302.133   13.250  280.092   13.706 22.04102 19.06350 
1 1 1  -15    2    9 o  475.835   9.2956  295.142   11.457  295.733   16.312  294.567   16.096  474.732   13.265  473.866   13.113 0.8659363 18.65285 
1 1 1  -15    2   10 o  243.483   10.618   77.453   6.6970   89.807   9.7096   66.244   9.2491  260.849   14.426  223.382   16.092 37.46690 21.61204 
1 1 1  -15    2   11 o  185.710   12.339   45.407   5.9016   32.009   8.1815   59.941   8.5213  153.175   21.188  212.521   15.588 -59.34587 26.30398 
1 1 1  -15    2   12 o   71.346   22.530   6.8338   4.6577   11.590   6.4957   1.8005   6.6823   90.813   26.178   61.502   25.525 29.31153 36.56251 
1 1 1  -15    2   13 o  370.489   13.499  180.634   12.955  188.000   17.635  172.000   19.093  375.588   18.126  357.181   20.725 18.40756 27.53370 
1 1 1  -15    2   14 o  177.143   15.070   41.778   6.8492   47.426   8.8536   33.360   10.809  187.593   18.459  152.926   28.330 34.66653 33.81314 
1 1 1  -15    2   15 o  296.301   10.731  114.995   8.2362  106.502   11.774  123.133   11.525  282.732   16.144  305.164   14.580 -22.43167 21.75360 
1 1 1  -15    2   16 o   64.970   24.881   4.3345   5.8555   5.4277   6.8444   1.3500   11.309   70.866   26.957   74.795   32.211 -3.928635 42.00308 
1 1 1  -15    2   17 o   49.462   21.999  -1.5478   5.6645  -3.7959   6.5558   5.0750   11.252   49.503   22.673   80.766   33.286 -31.26275 40.27430 
1 1 1  -15    2   18 o  277.054   12.988  101.433   9.3209   95.844   11.052  115.200   17.345  267.494   16.025  288.093   23.447 -20.59930 28.39963 
1 1 1  -15    2   19 o  110.048   20.036   16.937   5.5010   21.505   7.8185   12.459   7.7412  121.885   25.580   92.556   29.020 29.32965 38.68431 
1 1 1  -15    2   20 o   69.157   24.130   6.2498   5.3138   8.7543   7.6123   3.8696   7.4212   80.800   28.819   67.509   27.329 13.29180 39.71623 
1 1 1  -15    2   21 o  121.099   24.174   21.253   7.3173   20.190   14.384   21.623   8.4993  112.171   39.657  120.271   27.833 -8.099960 48.44921 
1 1 1  -15    2   22 o  166.337   18.880   38.334   7.9904   17.730   15.921   45.271   9.2381  106.662   40.985  180.127   20.144 -73.46526 45.66820 
1 1 1  -15    2   23 o  130.949   39.204   29.460   14.338   0.0000   0.0000   29.460   14.338  ?   ?   130.949   39.204 0.000000 39.20404 
1 1 1  -15    2   24 o  204.601   16.655   57.391   8.7502   46.510   16.664   61.534   10.282  164.146   39.640  210.109   19.100 -45.96278 44.00177 
1 1 1  -15    2   25 o  156.940   16.946   34.071   6.7796   35.160   9.8188   33.079   9.3725  153.618   25.575  149.241   25.138 4.376511 35.86063 
1 1 1  -15    2   26 o   51.088   22.603  -0.5885   5.9039   1.9074   8.1663  -3.3215   8.5454   63.596   27.381   56.229   25.802 7.367867 37.62221 
1 1 1  -15    2   27 o  104.550   24.461   16.623   6.5069   21.720   9.1037   11.299   9.3038  115.802   30.079   85.890   31.687 29.91242 43.68997 
1 1 1  -15    2   28 o   46.950   21.624  -3.0282   6.0785  -0.8859   8.6404  -5.1274   8.5530   59.392   26.734   53.216   24.895 6.175335 36.53067 
1 1 1  -15    2   29 o  110.149   24.599   18.799   6.8414   23.651   9.9141   14.388   9.4527  117.542   31.794   92.085   32.180 25.45675 45.23735 
1 1 1  -15    2   30 o  151.223   20.013   33.508   7.6468   26.675   10.797   40.386   10.832  122.168   33.235  158.873   27.305 -36.70495 43.01317 
1 1 1  -15    2   31 o   64.311   26.375   4.7947   7.0222   4.4629   10.248   5.0883   9.6411   69.442   30.280   69.517   29.836 -0.7440186E-01 42.50985 
1 1 1  -15    2   32 o  103.163   39.307   24.070   14.568   24.070   14.568   0.0000   0.0000  103.163   39.307  ?   ?  0.000000 39.30743 
1 1 1  -15    2   33 o   55.127   25.745  -2.7891   9.0824   7.9520   17.100  -7.0097   10.719   78.377   36.160   54.748   26.256 23.62942 44.68658 
1 1 1  -15    2   34 f   53.429   24.081   0.2260   7.0371  -4.0201   10.272   3.9809   9.6598   56.020   26.536   65.054   28.841 -9.034645 39.19120 
1 1 1  -15    2   35 o   86.386   29.556   14.277   7.9553   5.7888   10.856   24.121   11.691   68.338   30.421  103.201   35.803 -34.86312 46.98216 
1 1 1  -15    2   36 f   46.269   22.263  -6.2173   7.8536  -4.9433   11.048  -7.5188   11.166   55.324   26.565   53.360   25.886 1.964279 37.09115 
1 1 1  -15    2   37 o   54.352   24.954   0.5560   8.0084  -2.8635   11.439   3.8434   11.216   56.888   27.240   63.563   29.311 -6.674789 40.01402 
1 1 1  -15    2   38 o   65.523   28.021   7.6545   8.4493   15.576   11.933  -0.3108   11.965   77.931   33.314   58.575   27.997 19.35514 43.51585 
1 1 1  -15    3    1 o  154.697   12.261   31.483   4.8730   32.520   6.2083   29.820   7.8648  156.521   15.517  148.293   21.067 8.228134 26.16488 
1 1 1  -15    3    2 o  303.556   10.002  120.115   7.8645  117.998   9.6507  124.300   13.569  300.350   12.404  306.438   17.164 -6.087921 21.17715 
1 1 1  -15    3    3 o  129.492   12.102   22.111   4.0121   24.621   5.3222   18.806   6.1063  136.003   15.377  117.227   20.875 18.77663 25.92714 
1 1 1  -15    3    4 o  132.923   12.329   23.306   4.1968   29.310   5.6292   15.793   6.2972  148.648   14.817  106.552   23.452 42.09568 27.74037 
1 1 1  -15    3    5 o  317.957   9.0880  131.670   7.4849  127.237   10.447  136.346   10.729  311.668   12.940  322.659   12.837 -10.99170 18.22772 
1 1 1  -15    3    6 f  252.897   11.806   83.636   7.7336   88.230   15.113   82.006   9.0015  255.389   23.095  249.566   13.981 5.822601 26.99728 
1 1 1  -15    3    7 o  188.004   10.897   46.317   5.2840   45.353   7.2485   47.410   7.7190  184.998   15.263  188.988   15.916 -3.989944 22.05148 
1 1 1  -15    3    8 o   77.487   20.220   8.3028   4.1015   8.6903   5.4539   7.7983   6.2225   79.779   24.246   77.594   26.141 2.185013 35.65448 
1 1 1  -15    3    9 o  174.362   12.108   40.000   5.4346   40.415   7.4648   39.533   7.9275  174.041   16.766  171.701   18.097 2.339981 24.66955 
1 1 1  -15    3   10 o  492.783   9.5155  316.757   12.146  310.891   17.256  322.518   17.100  486.350   13.697  495.557   13.321 -9.207092 19.10693 
1 1 1  -15    3   11 o  277.141   10.151  100.318   7.2871  106.625   10.308   94.017   10.303  284.650   13.980  266.583   14.982 18.06723 20.49116 
1 1 1  -15    3   12 o   85.152   21.622   10.132   4.7779   12.346   6.1617   6.7939   7.5666   93.511   24.969   76.923   28.537 16.58855 37.91801 
1 1 1  -15    3   13 o  344.233   11.803  155.393   10.525  152.504   12.774  161.500   18.572  339.946   14.506  345.888   20.826 -5.942078 25.38035 
1 1 1  -15    3   14 o  333.973   11.598  146.300   10.033  146.937   12.414  145.100   17.038  333.579   14.367  327.913   20.157 5.666260 24.75267 
1 1 1  -15    3   15 o  416.440   14.760  229.515   15.921  226.000   22.908  232.800   22.144  407.649   21.774  415.233   20.588 -7.583099 29.96562 
1 1 1  -15    3   16 o   53.099   23.178  -0.5929   6.0188   3.0046   7.3194  -8.1050   10.577   66.020   26.985   59.518   27.791 6.502384 38.73662 
1 1 1  -15    3   17 o  133.755   20.050   24.685   6.7326   20.705   8.2031   32.900   11.784  119.451   27.130  148.971   31.523 -29.51976 41.58972 
1 1 1  -15    3   18 o   53.663   22.557   1.0609   5.3177   11.373   7.0496 -12.5531   8.1000   89.059   27.656   45.267   21.980 43.79203 35.32645 
1 1 1  -15    3   19 o  175.148   13.971   40.998   6.2856   40.355   8.8938   41.639   8.8847  170.798   20.513  173.730   20.115 -2.932083 28.73003 
1 1 1  -15    3   20 o  221.047   12.429   64.880   7.0877   72.717   10.058   57.151   9.9894  231.710   16.874  204.006   19.127 27.70305 25.50615 
1 1 1  -15    3   21 o  116.748   20.804   19.291   6.0607   16.849   8.7966   21.498   8.3622  104.933   30.526  119.982   27.495 -15.04903 41.08310 
1 1 1  -15    3   22 o  132.660   21.004   24.935   6.9773   39.330   11.390   16.288   8.8275  162.348   28.103  102.645   30.769 59.70319 41.67099 
1 1 1  -15    3   23 o  175.334   25.176   44.934   11.106   39.310   16.779   49.320   14.817  148.908   41.792  176.421   33.651 -27.51288 53.65629 
1 1 1  -15    3   24 o   95.145   38.463   12.840   14.678   12.840   14.678   0.0000   0.0000   95.145   38.463  ?   ?  0.000000 38.46270 
1 1 1  -15    3   25 o   78.230   28.334   8.6570   7.3899   24.850   14.994   3.4617   8.4931  117.159   40.553   67.772   28.498 49.38732 49.56482 
1 1 1  -15    3   26 o  160.790   17.620   36.089   7.2185   34.645   10.341   37.462   10.081  150.141   27.606  158.020   25.498 -7.878922 37.57954 
1 1 1  -15    3   27 o   43.559   20.450  -4.7040   5.8596 -11.0628   8.0814   2.3449   8.5086   45.262   21.972   64.858   27.936 -19.59668 35.54151 
1 1 1  -15    3   28 o  205.716   14.618   58.023   7.7388   55.762   11.026   60.219   10.864  194.822   22.248  203.939   20.860 -9.116699 30.49753 
1 1 1  -15    3   29 o   52.840   23.513  -0.3516   6.4785 -13.4603   9.2720   12.153   9.0557   46.816   22.903   86.135   31.340 -39.31915 38.81672 
1 1 1  -15    3   30 o  129.903   22.355   25.560   7.2509   30.498   10.370   20.837   10.143  134.013   30.551  107.212   33.153 26.80076 45.08342 
1 1 1  -15    3   31 o  102.713   27.411   17.685   7.4285   27.204   10.955   9.5814   10.107  120.969   33.705   78.354   31.832 42.61507 46.36071 
1 1 1  -15    3   32 o   47.236   22.890  -9.3949   8.6695 -23.0855   10.293   24.020   16.081   42.590   21.374  100.638   40.408 -58.04799 45.71265 
1 1 1  -15    3   33 o   79.880   30.521   11.439   8.7984   1.7680   15.878   15.725   10.570   71.361   33.554   88.814   33.567 -17.45321 47.46178 
1 1 1  -15    3   34 o   95.822   29.172   16.988   7.8902   9.4038   10.939   25.211   11.391   74.986   31.972  108.458   35.332 -33.47226 47.65003 
1 1 1  -15    3   35 o   57.438   25.625   1.9411   7.7487   2.5588   10.682   1.2551   11.257   63.541   29.042   62.818   29.107 0.7230377 41.11763 
1 1 1  -15    3   36 o   59.682   26.074   3.7675   7.6316   2.7266   10.559   4.9061   11.043   62.521   28.686   65.905   29.892 -3.383728 41.42952 
1 1 1  -15    3   37 o   71.800   28.699   9.9627   8.0716   3.3900   11.223   17.005   11.617   62.818   29.091   83.072   33.980 -20.25423 44.73158 
1 1 1  -15    3   38 o  124.231   27.723   29.512   8.6947   25.560   12.190   33.606   12.405   95.454   36.055  112.915   36.875 -17.46099 51.57290 
1 1 1  -15    4    1 o  521.082   8.9383  353.532   12.065  330.300   24.796  360.737   13.809  498.947   19.186  525.969   10.136 -27.02219 21.69871 
1 1 1  -15    4    2 o  290.787   8.7639  110.076   6.6012  107.646   9.2295  112.621   9.4453  286.822   12.423  293.373   12.429 -6.551331 17.57298 
1 1 1  -15    4    3 o   34.865   15.571  -1.1505   2.8696  -2.3753   3.4134   1.8009   5.2987   35.571   16.317   56.333   22.985 -20.76186 28.18787 
1 1 1  -15    4    4 o  107.253   14.541   15.377   3.9357   17.179   5.2424   13.050   5.9577  112.448   18.652   96.653   23.925 15.79525 30.33624 
1 1 1  -15    4    5 o   92.634   17.025   11.676   3.9346   16.426   5.4017   6.3072   5.7426  109.582   19.757   71.687   25.080 37.89462 31.92730 
1 1 1  -15    4    6 o  198.810   13.326   52.065   6.8226   64.240   14.385   48.532   7.7497  216.110   26.236  191.262   15.783 24.84792 30.61739 
1 1 1  -15    4    7 o  344.445   9.2069  154.618   8.2145  143.564   11.529  166.014   11.707  330.742   13.458  355.920   12.698 -25.17825 18.50261 
1 1 1  -15    4    8 o   68.252   21.309   6.2260   4.1788   9.6908   5.7527   2.3553   6.0803   83.759   24.778   60.773   24.689 22.98608 34.97852 
1 1 1  -15    4    9 o  288.742   10.049  108.832   7.5157  110.464   10.701  107.243   10.558  289.750   14.257  285.128   14.342 4.622162 20.22245 
1 1 1  -15    4   10 o  282.050   10.153  103.893   7.4180  103.397   10.426  104.400   10.557  279.844   14.432  281.160   14.545 -1.316162 20.48986 
1 1 1  -15    4   11 o   61.624   22.131   4.4408   4.4966   3.3204   5.8519   6.0559   7.0262   62.408   24.597   73.625   27.462 -11.21733 36.86703 
1 1 1  -15    4   12 f  147.622   17.992   29.415   6.7376   28.520   8.6578   30.790   10.729  143.068   24.227  146.615   29.275 -3.547272 37.99937 
1 1 1  -15    4   13 o  368.615   9.7941  177.540   9.3516  179.801   13.275  175.311   13.176  369.326   13.877  364.652   13.949 4.673981 19.67579 
1 1 1  -15    4   14 o  148.664   17.249   29.809   6.5189   26.883   7.5576   38.310   12.884  139.528   21.609  162.026   31.835 -22.49861 38.47617 
1 1 1  -15    4   15 o   84.119   31.149   8.6504   9.0075  -2.8340   14.710   15.540   11.393   78.095   35.040  104.218   35.372 -26.12370 49.78885 
1 1 1  -15    4   16 o  108.013   22.588   16.472   6.1164   17.063   7.3926   15.190   10.890  108.660   26.502  102.639   34.583 6.020439 43.56991 
1 1 1  -15    4   17 o   52.859   22.347   0.7964   5.2681   3.8443   7.3789  -2.3723   7.5237   67.929   27.338   55.846   25.058 12.08320 37.08426 
1 1 1  -15    4   18 o  268.843   11.206   95.093   7.8035   83.470   10.939  107.136   11.135  248.805   17.077  283.116   15.240 -34.31061 22.88840 
1 1 1  -15    4   19 o   72.564   24.462   7.1165   5.4490   7.0072   7.4301   7.2437   8.0150   75.701   28.240   77.464   29.242 -1.762459 40.65163 
1 1 1  -15    4   20 o  225.950   12.496   67.839   7.2850   63.667   10.412   71.841   10.196  215.435   18.848  229.955   17.243 -14.51918 25.54573 
1 1 1  -15    4   21 o   97.157   23.844   13.809   5.9559   10.842   8.4194   16.780   8.4265   86.975   30.372  104.831   29.686 -17.85612 42.46991 
1 1 1  -15    4   22 o  138.896   24.923   28.230   8.6374   25.850   10.939   32.170   14.075  127.570   32.893  138.448   38.065 -10.87785 50.30826 
1 1 1  -15    4   23 o   74.073   28.978   6.4583   8.0689   0.0000   0.0000   6.4583   8.0689  ?   ?    74.073   28.978 0.000000 28.97795 
1 1 1  -15    4   24 o   47.926   22.492  -5.6167   7.0774   24.110   13.973 -15.8740   8.2081  117.187   39.175   42.037   20.757 75.14919 44.33481 
1 1 1  -15    4   25 o  262.380   14.827   93.520   10.036  102.700   19.095   90.016   11.796  258.989   28.959  254.625   18.001 4.364288 34.09821 
1 1 1  -15    4   26 o  110.707   28.380   19.363   8.1764  -7.0980   15.936   28.818   9.5259   70.933   33.433  136.176   27.942 -65.24339 43.57252 
1 1 1  -15    4   27 o   52.380   23.199  -0.4166   6.2350  -5.2146   8.9094   4.1887   8.7286   54.470   25.459   68.787   28.906 -14.31705 38.51890 
1 1 1  -15    4   28 o   62.769   25.363   4.1451   6.3789   5.4350   9.4535   3.0668   8.6432   72.044   30.168   65.887   28.263 6.157631 41.33947 
1 1 1  -15    4   29 o   58.230   24.810   2.1940   6.5789  -5.0738   9.4282   9.0910   9.1846   55.425   25.995   78.513   30.856 -23.08778 40.34694 
1 1 1  -15    4   30 o   57.525   24.781   1.9406   6.6976   1.0072   9.8340   2.7481   9.1470   63.826   28.643   65.067   28.483 -1.240219 40.39414 
1 1 1  -15    4   31 o   70.251   28.257   6.8875   7.8793   5.6870   12.835   7.6136   9.9817   74.385   33.098   74.149   31.020 0.2364655 45.36204 
1 1 1  -15    4   32 o   80.271   30.602   11.260   8.8329   11.416   10.307   10.830   17.138   80.651   32.362   82.303   37.292 -1.651505 49.37635 
1 1 1  -15    4   33 o   53.609   25.156  -3.3405   8.8476   28.730   18.418 -12.9610   10.088  101.501   42.272   47.930   23.539 53.57068 48.38398 
1 1 1  -15    4   34 o  257.211   15.066   94.257   9.9941  104.509   14.297   84.461   13.976  259.130   21.494  228.335   23.988 30.79521 32.20932 
1 1 1  -15    4   35 o  117.984   27.495   24.814   8.2473   17.653   11.681   31.932   11.646   88.150   34.749  122.411   34.981 -34.26139 49.30698 
1 1 1  -15    4   36 o   93.569   29.866   17.518   8.1675   22.540   11.415   12.251   11.691   97.030   35.204   76.547   32.855 20.48322 48.15356 
1 1 1  -15    4   37 o   53.295   24.486   0.4664   7.7284   6.0492   10.771  -5.4572   11.095   65.394   29.604   53.629   25.966 11.76462 39.37758 
1 1 1  -15    4   38 f   83.226   30.010   15.514   8.2766   16.666   11.255   14.157   12.214   79.654   33.098   74.581   32.774 5.073288 46.57882 
1 1 1  -15    5    1 o   85.884   16.093   10.024   3.4485   12.440   10.163   9.7099   3.6660   97.145   33.400   84.237   17.378 12.90812 37.65078 
1 1 1  -15    5    2 o  223.585   9.8804   65.183   5.7223   63.320   13.635   65.582   6.3044  215.285   24.910  224.111   10.860 -8.825851 27.17469 
1 1 1  -15    5    3 o  297.059   11.220  115.298   8.6333  106.700   17.028  118.272   10.016  280.704   23.639  300.452   12.870 -19.74768 26.91562 
1 1 1  -15    5    4 o  300.424   9.1064  117.583   7.0865  109.122   9.9170  126.412   10.130  288.464   13.272  310.669   12.588 -22.20511 18.29241 
1 1 1  -15    5    5 o  342.806   9.1717  153.130   8.1442  161.937   11.771  145.042   11.280  351.476   12.929  332.585   13.094 18.89084 18.40117 
1 1 1  -15    5    6 o  488.704   10.966  312.082   13.882  317.400   26.000  309.962   16.418  487.435   20.592  486.153   13.038 1.282471 24.37282 
1 1 1  -15    5    7 o  366.809   9.2223  175.389   8.7626  168.766   12.477  181.835   12.309  358.525   13.435  372.395   12.761 -13.87012 18.52919 
1 1 1  -15    5    8 o  167.046   12.371   36.766   5.3150   37.577   7.4420   35.922   7.5934  167.520   17.404  163.492   18.241 4.028122 25.21227 
1 1 1  -15    5    9 o  115.229   15.919   17.857   4.6244   13.515   6.3575   22.737   6.7391   97.878   24.989  128.762   20.924 -30.88454 32.59223 
1 1 1  -15    5   10 o  213.567   11.042   59.830   6.0878   62.624   8.7703   57.232   8.4572  217.132   15.699  207.473   15.857 9.659317 22.31384 
1 1 1  -15    5   11 o  566.588   11.079  420.216   16.260  433.800   27.288  412.737   20.248  570.330   18.471  559.783   13.964 10.54724 23.15551 
1 1 1  -15    5   12 o   85.915   24.068   10.367   5.5702   8.9628   6.6930   13.530   10.047   81.720   27.105   98.745   33.218 -17.02470 42.87328 
1 1 1  -15    5   13 o  313.074   12.059  128.708   9.7793  121.777   12.002  142.400   16.870  302.884   15.347  324.793   20.151 -21.90857 25.32986 
1 1 1  -15    5   14 o   83.965   25.310   9.8782   5.9610   7.1263   7.2240   15.750   10.552   76.675   27.977  104.445   34.005 -27.77010 44.03497 
1 1 1  -15    5   15 o   42.780   20.594  -9.4237   6.7392 -15.6900   13.150  -7.1916   7.8482   60.546   29.048   50.316   23.637 10.22956 37.44986 
1 1 1  -15    5   16 o   79.618   23.672   8.9066   5.2410   20.689   7.1664  -4.6402   7.6844  120.799   23.749   53.007   24.377 67.79201 34.03312 
1 1 1  -15    5   17 o   42.628   19.649  -3.4419   5.0331  -4.4330   6.9511  -2.3495   7.2974   50.106   23.095   54.904   24.654 -4.797737 33.78154 
1 1 1  -15    5   18 o   46.758   20.732  -1.2003   4.9937   9.0563   6.8518 -12.8205   7.2931   81.069   27.431   41.551   20.324 39.51781 34.13989 
1 1 1  -15    5   19 o  396.013   10.215  206.116   10.479  217.558   15.023  195.274   14.624  403.998   14.356  382.438   14.762 21.56000 20.59143 
1 1 1  -15    5   20 o   93.168   24.723   12.726   6.0654   13.215   8.2148   12.140   8.9934   94.114   29.943   91.268   31.417 2.845169 43.40045 
1 1 1  -15    5   21 o   77.665   24.613   8.6449   5.5548   1.5993   7.6245   16.615   8.1091   62.576   26.686  104.375   28.970 -41.79836 39.38780 
1 1 1  -15    5   22 o  175.169   19.605   42.855   8.7430   51.080   11.496   31.570   13.466  188.049   24.159  137.625   36.981 50.42374 44.17329 
1 1 1  -15    5   23 o  121.317   21.035   21.101   6.3706   23.098   8.8028   18.905   9.2311  122.618   28.291  109.114   31.131 13.50455 42.06563 
1 1 1  -15    5   24 o  143.530   22.939   30.002   8.2411   14.000   15.338   36.497   9.7716   96.918   39.269  157.144   24.831 -60.22640 46.46107 
1 1 1  -15    5   25 o  111.368   23.493   18.461   6.5641   5.7143   9.0430   32.658   9.5434   73.332   29.986  147.153   25.987 -73.82089 39.68008 
1 1 1  -15    5   26 o  164.029   21.702   39.037   8.9943   26.170   17.095   43.962   10.576  115.668   42.897  171.831   24.452 -56.16267 49.37654 
1 1 1  -15    5   27 o  115.591   28.073   21.297   8.3218   31.250   15.359   17.161   9.9011  126.552   41.014  100.484   32.950 26.06729 52.61074 
1 1 1  -15    5   28 o  105.435   29.900   18.516   8.5419   1.2700   17.149   24.206   9.8510   78.559   36.232  119.615   31.396 -41.05583 47.94286 
1 1 1  -15    5   29 o  158.930   18.897   36.448   7.6269   40.169   10.707   32.615   10.867  159.167   26.930  138.882   30.994 20.28470 41.05888 
1 1 1  -15    5   30 o   89.091   33.129   14.211   10.210   0.0000   0.0000   14.211   10.210  ?   ?    89.091   33.129 0.000000 33.12903 
1 1 1  -15    5   31 o   58.358   26.865  -1.4380   9.3656  -0.5254   12.407  -2.6470   14.280   65.861   30.530   66.941   31.581 -1.079872 43.92583 
1 1 1  -15    5   32 o   92.640   30.017   15.690   8.2271   24.910   10.982   3.8970   12.420  111.670   34.491   70.004   31.731 41.66653 46.86683 
1 1 1  -15    5   33 o   65.303   28.706   4.2772   9.3766   9.2890   17.746   2.3360   11.044   78.773   36.515   65.084   29.663 13.68882 47.04527 
1 1 1  -15    5   34 f   74.532   28.344   9.8116   7.5657   10.398   10.642   9.2123   10.758   75.953   31.918   73.930   31.618 2.023773 44.92686 
1 1 1  -15    5   35 o   93.716   30.232   17.376   8.3523   12.928   11.683   22.026   11.945   78.915   33.317   96.198   35.822 -17.28255 48.92037 
1 1 1  -15    5   36 o   65.952   27.640   7.0173   7.9454   5.3371   11.328   8.6443   11.147   66.046   30.078   70.457   31.121 -4.411087 43.28084 
1 1 1  -15    5   37 o   62.042   26.908   5.6446   8.0037   4.4678   11.135   6.9028   11.513   63.257   29.182   66.525   30.307 -3.267677 42.07230 
1 1 1  -15    6    1 o  208.714   9.7861   56.808   5.2907   49.660   12.943   58.243   5.7971  189.226   27.186  210.938   10.644 -21.71228 29.19544 
1 1 1  -15    6    2 o  123.523   13.657   20.262   4.2965   29.110   12.172   19.003   4.5921  141.640   33.671  119.217   15.218 22.42316 36.95018 
1 1 1  -15    6    3 o  174.667   11.787   40.091   5.3016   57.360   14.227   37.306   5.7131  203.244   27.748  168.145   13.224 35.09871 30.73822 
1 1 1  -15    6    4 o  206.115   12.757   55.893   6.7778   63.320   14.949   53.972   7.6043  213.654   27.661  202.032   14.630 11.62180 31.29132 
1 1 1  -15    6    5 o  368.589   9.1504  177.072   8.7364  175.730   12.417  178.387   12.295  365.982   13.098  368.821   12.869 -2.839203 18.36192 
1 1 1  -15    6    6 o   73.179   24.427   6.9558   5.4328   12.670   14.635   6.0425   5.8509  103.418   39.399   70.892   25.268 32.52570 46.80554 
1 1 1  -15    6    7 o  295.991   9.6875  114.313   7.4275  113.788   10.684  114.805   10.333  294.123   14.023  295.602   13.495 -1.478638 19.46187 
1 1 1  -15    6    8 o   78.988   20.707   8.6647   4.2884   8.6935   5.7638   8.6291   6.4182   79.921   25.038   80.501   26.535 -0.5806503 36.48328 
1 1 1  -15    6    9 o  338.878   9.6833  149.906   8.4999  147.471   12.184  152.215   11.864  334.668   14.055  340.238   13.462 -5.570160 19.46142 
1 1 1  -15    6   10 o   37.368   17.490  -4.0177   4.2310  -5.7770   5.7635  -1.9615   6.2308   42.935   20.197   51.593   23.001 -8.657463 30.60991 
1 1 1  -15    6   11 o  114.104   20.285   17.955   5.7759   16.836   7.0345   20.270   10.119  108.861   25.409  117.624   32.248 -8.762703 41.05572 
1 1 1  -15    6   12 o  221.568   13.400   64.888   7.6546   63.919   9.3781   66.820   13.249  218.703   16.680  220.353   23.579 -1.650009 28.88206 
1 1 1  -15    6   13 o  340.753   11.457  152.349   10.113  140.955   12.380  175.200   17.532  326.433   14.641  361.050   18.812 -34.61679 23.83765 
1 1 1  -15    6   14 o  221.424   14.144   65.079   8.0702   68.162   9.4220   56.590   15.637  225.775   16.219  197.181   31.688 28.59406 35.59747 
1 1 1  -15    6   15 o  213.149   15.456   60.696   8.4754   31.550   17.686   69.384   9.6563  139.473   43.886  227.490   16.499 -88.01640 46.88530 
1 1 1  -15    6   16 o  107.943   20.448   16.288   5.5081   18.159   7.6292   14.251   7.9607  111.742   26.719   98.718   29.132 13.02362 39.52930 
1 1 1  -15    6   17 o  129.827   18.095   23.113   5.9197   21.406   7.9259   25.266   8.9023  121.529   25.966  131.784   26.987 -10.25524 37.45032 
1 1 1  -15    6   18 o   81.480   24.170   9.4947   5.4685   11.773   7.1756   6.3384   8.4461   89.965   27.896   76.078   29.679 13.88722 40.73142 
1 1 1  -15    6   19 o   68.195   24.341   5.9446   5.4317   10.579   7.6053   1.1195   7.7601   86.000   28.901   62.448   26.784 23.55234 39.40368 
1 1 1  -15    6   20 o   53.187   22.501   1.0241   5.3464   0.2582   7.2681   1.9272   7.8922   58.831   25.578   64.204   27.260 -5.372818 37.38096 
1 1 1  -15    6   21 o  190.543   18.009   49.995   8.7830   54.530   11.527   43.720   13.561  195.365   23.235  167.618   32.406 27.74666 39.87479 
1 1 1  -15    6   22 o  125.434   20.393   22.357   6.3983   26.358   9.0141   18.294   9.0835  132.205   27.229  107.749   30.926 24.45561 41.20487 
1 1 1  -15    6   23 o  213.271   13.464   61.218   7.3999   66.154   10.568   56.470   10.365  217.838   18.917  200.118   20.275 17.71976 27.72957 
1 1 1  -15    6   24 o   55.323   24.818  -1.3779   7.3762  -2.1070   15.005  -1.1455   8.4703   74.518   34.193   59.387   26.621 15.13118 43.33411 
1 1 1  -15    6   25 o  214.689   14.200   62.592   7.8522   53.177   10.947   72.568   11.269  191.302   22.524  226.856   19.362 -35.55409 29.70234 
1 1 1  -15    6   26 o   71.767   26.726   7.0410   6.6496   5.9375   9.5313   8.0874   9.2816   73.943   30.570   78.077   30.913 -4.133743 43.47529 
1 1 1  -15    6   27 o  212.039   18.051   63.399   9.8198   65.010   18.766   62.792   11.523  188.321   39.720  207.271   21.789 -18.95020 45.30391 
1 1 1  -15    6   28 o  174.184   21.500   44.703   9.4945   18.590   17.656   55.326   11.261   98.703   41.271  192.251   23.075 -93.54836 47.28374 
1 1 1  -15    6   29 o   99.202   31.411   17.281   9.0485   5.5080   17.279   21.729   10.621   80.925   36.968  108.751   33.975 -27.82563 50.20924 
1 1 1  -15    6   30 o   58.568   26.403   0.0367   8.4655  -7.5610   16.383   2.8043   9.8878   67.039   32.231   66.076   29.242 0.9635391 43.51943 
1 1 1  -15    6   31 o   52.455   25.026  -6.5461   9.4702 -20.3700   12.375   12.990   14.711   49.669   24.693   84.634   36.593 -34.96457 44.14526 
1 1 1  -15    6   32 o   52.064   24.438  -3.6298   8.3607  -2.1145   10.201  -6.7300   14.591   58.530   27.318   62.661   30.200 -4.130535 40.72196 
1 1 1  -15    6   33 o   90.922   29.538   15.471   7.9636   9.2234   11.125   22.038   11.405   74.803   32.076  100.588   35.337 -25.78506 47.72365 
1 1 1  -15    6   34 o  112.750   27.965   22.872   8.1278   12.834   11.316   33.568   11.681   79.783   33.173  127.329   34.541 -47.54659 47.89062 
1 1 1  -15    6   35 o   61.763   26.444   4.8550   7.5408   8.8140   10.902   1.2239   10.441   71.598   31.225   60.630   28.071 10.96730 41.98812 
1 1 1  -15    6   36 o  102.095   29.151   20.510   8.0909   24.294   11.316   16.551   11.573   99.775   35.184   82.734   33.887 17.04067 48.84953 
1 1 1  -15    6   37 o   75.332   29.215   12.025   8.1462   14.633   11.449   9.3522   11.593   77.066   32.780   69.095   31.047 7.971428 45.14880 
1 1 1  -15    7    1 o  139.598   11.908   25.690   4.2647   15.950   11.792   27.155   4.5743  107.259   35.987  143.442   12.434 -36.18296 38.07432 
1 1 1  -15    7    2 o  156.639   11.825   32.293   4.7624   33.550   12.946   32.096   5.1215  151.931   33.772  155.948   12.791 -4.016647 36.11309 
1 1 1  -15    7    3 o  199.370   11.153   52.131   5.7365   37.470   15.159   54.582   6.1975  158.960   37.434  203.869   11.786 -44.90909 39.24534 
1 1 1  -15    7    4 o  340.294   9.5399  151.045   8.4091  167.400   19.997  147.532   9.2684  352.291   22.024  336.022   10.648 16.26950 24.46359 
1 1 1  -15    7    5 o  354.095   14.956  165.277   13.718  149.200   20.505  178.300   18.456  331.117   24.072  365.033   19.590 -33.91577 31.03591 
1 1 1  -15    7    6 o  343.496   13.036  154.920   11.599   0.0000   0.0000  154.920   11.599  ?   ?   343.496   13.036 0.000000 13.03601 
1 1 1  -15    7    7 o  554.699   9.6048  401.560   13.801  406.838   19.818  396.592   19.229  556.112   13.758  549.212   13.517 6.899658 19.28668 
1 1 1  -15    7    8 o  273.286   10.206   97.590   7.2246  107.369   10.352   88.303   10.087  285.545   13.996  258.173   15.150 27.37161 20.62565 
1 1 1  -15    7    9 o  343.630   10.679  154.473   9.5055  168.800   15.599  146.010   11.989  356.556   16.889  332.935   13.901 23.62115 21.87467 
1 1 1  -15    7   10 o  277.579   19.218  103.600   13.733   0.0000   0.0000  103.600   13.733  ?   ?   277.579   19.218 0.000000 19.21756 
1 1 1  -15    7   11 o  142.769   16.569   27.420   6.0136   26.126   7.4400   29.860   10.214  137.576   21.588  144.380   28.322 -6.804398 35.61131 
1 1 1  -15    7   12 o  400.666   18.752  215.200   19.462   0.0000   0.0000  215.200   19.462  ?   ?   400.666   18.752 0.000000 18.75188 
1 1 1  -15    7   13 f  175.567   13.807   40.953   6.2284   38.010   8.6016   44.198   9.0307  166.669   20.346  180.182   19.669 -13.51268 28.29884 
1 1 1  -15    7   14 o  191.999   15.450   49.292   7.6189   56.582   9.3152   34.560   13.242  204.801   17.734  151.248   34.555 53.55338 38.84034 
1 1 1  -15    7   15 o  115.756   19.032   18.499   5.5082   17.001   8.0414   19.824   7.5603  107.619   28.424  117.336   25.595 -9.716576 38.24944 
1 1 1  -15    7   16 o   61.184   23.148   4.0371   5.0296   1.9503   7.0873   6.1545   7.1389   62.427   26.129   73.059   27.593 -10.63186 38.00156 
1 1 1  -15    7   17 o   77.103   23.832   8.3705   5.2418   8.2110   7.0353   8.5696   7.8591   78.579   27.739   80.868   29.230 -2.288399 40.29739 
1 1 1  -15    7   18 o   74.288   24.382   7.6422   5.4207   18.988   7.2663  -6.5958   8.1400  114.063   25.259   51.665   24.207 62.39796 34.98596 
1 1 1  -15    7   19 o  319.878   15.521  137.483   12.860   0.0000   0.0000  137.483   12.860  ?   ?   319.878   15.521 0.000000 15.52056 
1 1 1  -15    7   20 o  179.145   14.874   43.360   6.8397   38.268   9.4490   48.966   9.9131  163.711   22.910  186.886   20.832 -23.17509 30.96523 
1 1 1  -15    7   21 o  159.775   19.604   35.742   7.9432   46.241   9.8565   16.290   13.416  180.687   21.480  101.814   37.953 78.87312 43.61016 
1 1 1  -15    7   22 o  156.658   16.483   33.742   6.5883   33.063   8.9390   34.548   9.7480  150.651   23.689  152.740   25.540 -2.089249 34.83461 
1 1 1  -15    7   23 o   94.454   26.885   13.701   6.8932   16.169   8.3240   8.3160   12.297  101.136   29.773   84.101   34.742 17.03551 45.75431 
1 1 1  -15    7   24 o  167.185   20.749   39.980   8.7922   20.450   17.647   46.429   10.140  106.981   42.539  178.994   22.359 -72.01268 48.05740 
1 1 1  -15    7   25 o  148.925   18.272   31.270   6.9008   29.682   9.5233   33.025   10.014  138.314   27.549  146.158   27.457 -7.844513 38.89531 
1 1 1  -15    7   26 o  130.160   21.913   24.958   7.1254   27.372   9.9725   22.439   10.185  129.643   30.249  114.896   32.671 14.74680 44.52456 
1 1 1  -15    7   27 o  135.510   22.251   27.321   7.5393   18.586   10.817   35.573   10.514  102.294   34.466  149.520   28.181 -47.22554 44.52050 
1 1 1  -15    7   28 o   72.461   26.840   7.7035   6.6883   4.0487   9.3617   11.514   9.5588   68.404   29.381   84.160   31.895 -15.75621 43.36480 
1 1 1  -15    7   29 o  125.429   28.775   26.291   9.1505   23.210   18.189   27.335   10.588  101.688   42.150  123.651   32.595 -21.96304 53.28320 
1 1 1  -15    7   30 o   56.917   26.770  -4.2833   10.117   0.0000   0.0000  -4.2833   10.117  ?   ?    56.917   26.770 0.000000 26.76974 
1 1 1  -15    7   31 o   83.980   33.992   13.211   11.480   7.8120   18.197   16.780   14.796   79.623   36.933   89.287   37.584 -9.664177 52.69294 
1 1 1  -15    7   32 o   51.004   24.182  -4.8334   8.5682 -14.4012   10.268   17.100   15.547   47.305   23.332   87.550   37.736 -40.24471 44.36679 
1 1 1  -15    7   33 f   58.049   25.694   2.2261   7.6372  -4.2303   10.997   8.2413   10.614   56.976   27.124   72.362   31.185 -15.38564 41.33043 
1 1 1  -15    7   34 o  100.337   28.700   18.860   7.8352   1.5929   10.484   40.707   11.793   61.667   28.401  144.704   32.282 -83.03704 42.99691 
1 1 1  -15    7   35 o   50.556   23.527  -1.5542   7.4784   0.6331   10.226  -4.0685   10.964   59.152   27.522   55.563   26.622 3.588978 38.29089 
1 1 1  -15    7   36 o   86.401   29.702   15.612   8.0372   24.222   11.233   6.5802   11.505   98.729   35.029   66.604   30.325 32.12473 46.33187 
1 1 1  -15    7   37 o   89.595   29.975   17.586   8.1810   32.211   11.408   2.1025   11.738  114.491   35.120   60.123   28.447 54.36847 45.19559 
1 1 1  -15    8    1 o  302.730   9.2104  119.501   7.2224  119.200   17.297  119.565   7.9485  296.557   22.690  302.594   10.141 -6.036072 24.85259 
1 1 1  -15    8    2 o  237.011   10.248   73.370   6.2914   83.760   16.298   71.550   6.8201  246.595   25.902  233.850   11.259 12.74458 28.24319 
1 1 1  -15    8    3 o   98.038   17.926   13.143   4.3846   45.480   14.478   9.8782   4.6006  177.677   32.662   84.212   21.126 93.46444 38.89933 
1 1 1  -15    8    4 o   99.783   18.745   13.666   4.6671   13.650   14.844   13.668   4.9164  105.166   39.772   99.523   19.768 5.642876 44.41396 
1 1 1  -15    8    5 o  117.684   30.189   20.006   9.2477   3.2310   14.779   30.800   11.855   87.386   37.208  145.549   32.290 -58.16332 49.26516 
1 1 1  -15    8    6 o  169.736   13.387   38.110   5.8383   28.700   15.692   39.622   6.2898  137.234   40.998  172.877   14.170 -35.64368 43.37758 
1 1 1  -15    8    7 o  168.459   12.095   37.410   5.2426   31.845   7.4126   42.980   7.4159  153.312   19.078  179.457   16.125 -26.14447 24.98021 
1 1 1  -15    8    8 o  144.379   16.040   27.938   5.8975   27.750   7.8596   28.180   8.9215  141.820   22.117  141.706   25.230 0.1143646 33.55146 
1 1 1  -15    8    9 o  303.513   18.218  123.400   14.257   0.0000   0.0000  123.400   14.257  ?   ?   303.513   18.218 0.000000 18.21819 
1 1 1  -15    8   10 o  310.977   18.489  129.800   14.826   0.0000   0.0000  129.800   14.826  ?   ?   310.977   18.489 0.000000 18.48882 
1 1 1  -15    8   11 o  178.450   14.130   42.319   6.4780   38.032   8.1450   49.700   10.687  167.335   19.135  190.178   22.106 -22.84274 29.23746 
1 1 1  -15    8   12 o  173.303   12.914   39.789   5.7554   33.840   7.8785   46.597   8.4280  157.357   19.765  185.866   17.720 -28.50859 26.54531 
1 1 1  -15    8   13 o   31.579   15.497  -8.4681   4.3475  -7.9572   6.1414  -8.9813   6.1551   41.654   19.949   40.496   19.542 1.158279 27.92575 
1 1 1  -15    8   14 o  276.869   17.186  103.068   12.264   87.030   18.777  115.000   16.196  245.206   30.201  289.371   21.767 -44.16487 37.22807 
1 1 1  -15    8   15 o  181.089   13.357   43.634   6.2212   40.258   8.5591   47.415   9.0583  171.286   19.646  186.344   19.034 -15.05894 27.35431 
1 1 1  -15    8   16 o   67.635   23.395   5.9531   4.9900   1.0852   6.6034   12.433   7.6189   58.638   24.917   92.352   28.763 -33.71449 38.05435 
1 1 1  -15    8   17 f  150.126   15.653   30.497   5.9975   39.270   8.4262   21.489   8.5385  168.599   19.663  120.247   27.945 48.35232 34.16958 
1 1 1  -15    8   18 o  114.940   19.424   18.503   5.5770   13.468   7.5528   24.541   8.2702   94.979   28.458  129.608   25.542 -34.62914 38.23979 
1 1 1  -15    8   19 o   57.116   22.993   2.7020   5.2216   2.1527   7.2329   3.3000   7.5459   62.505   26.292   65.973   27.231 -3.467468 37.85275 
1 1 1  -15    8   20 o   44.255   20.767  -5.1654   6.0308  -6.4880   7.7262  -3.1030   9.6480   49.684   23.376   60.989   27.769 -11.30571 36.29787 
1 1 1  -15    8   21 o   78.009   24.649   8.8733   5.5742   1.5458   7.5638   17.584   8.2466   61.759   26.465  106.366   29.092 -44.60738 39.32844 
1 1 1  -15    8   22 o  126.067   19.754   22.587   6.2389   21.434   8.9192   23.692   8.7300  116.795   29.480  124.107   27.841 -7.312813 40.54854 
1 1 1  -15    8   23 o  100.254   27.079   15.576   7.1979   13.062   8.5842   21.530   13.210   91.253   30.704  110.721   38.078 -19.46791 48.91481 
1 1 1  -15    8   24 o   66.645   25.329   5.5648   6.0392   8.7896   8.5133   2.2982   8.5683   79.201   30.080   65.184   28.055 14.01781 41.13246 
1 1 1  -15    8   25 o   86.913   26.533   11.762   6.5206   10.881   8.7411   12.868   9.7911   84.201   30.767   89.621   32.591 -5.420204 44.81913 
1 1 1  -15    8   26 o  113.165   24.386   19.621   6.9374   17.672   9.4161   21.934   10.260  101.914   32.014  112.661   33.023 -10.74673 45.99383 
1 1 1  -15    8   27 o  103.025   25.685   16.794   6.8306   18.250   9.5498   15.269   9.7740  102.351   32.255   93.956   32.729 8.395821 45.95130 
1 1 1  -15    8   28 o   59.692   25.124   2.9734   6.6111   15.073   9.1960  -9.9699   9.5111   92.743   31.777   50.230   24.252 42.51301 39.97395 
1 1 1  -15    8   29 o   60.047   25.610   2.9136   7.0227   6.4834   9.8977  -0.7054   9.9658   72.291   30.601   61.207   28.004 11.08350 41.48065 
1 1 1  -15    8   30 o  119.453   31.994   26.217   10.098   13.380   13.758   41.210   14.868   85.044   36.043  139.409   39.417 -54.36481 53.41137 
1 1 1  -15    8   31 o   39.825   19.927 -18.5880   8.6337 -15.7600   16.751 -19.6110   10.075   60.419   29.800   43.591   21.768 16.82750 36.90403 
1 1 1  -15    8   32 o   56.378   26.744  -4.0874   10.508  -6.8590   18.163  -2.6930   12.882   66.506   32.431   62.267   29.559 4.239300 43.88107 
1 1 1  -15    8   33 o   90.815   32.583   17.222   9.7444  -3.5820   18.174   25.616   11.544   67.361   32.757  107.077   35.601 -39.71685 48.37880 
1 1 1  -15    8   34 o  177.408   20.026   48.922   9.0417   51.683   13.321   46.563   12.312  161.697   32.923  155.341   31.673 6.355927 45.68467 
1 1 1  -15    8   35 o   91.528   30.261   17.337   8.3447   5.3575   11.805   29.300   11.797   66.140   30.341  110.492   35.954 -44.35156 47.04535 
1 1 1  -15    8   36 o   47.706   22.576  -2.8088   7.3989  -4.7942   10.774  -1.0368   10.179   53.131   25.691   55.634   26.371 -2.503265 36.81666 
1 1 1  -15    8   37 o   77.788   29.807   13.878   8.4062   7.8079   12.025   19.681   11.756   65.555   30.272   83.055   34.102 -17.50003 45.59969 
1 1 1  -15    9    1 o  289.424   16.264  111.261   12.143   90.730   17.089  132.200   17.259  256.240   26.112  312.774   21.432 -56.53394 33.78107 
1 1 1  -15    9    2 o   75.727   19.550   7.9541   3.8611   46.680   14.483   4.9911   4.0061  179.919   32.261   62.510   20.975 117.4091 38.48080 
1 1 1  -15    9    3 o  265.036   10.192   91.795   6.9972   98.450   18.020   90.613   7.5930  266.688   26.433  263.096   11.142 3.592224 28.68528 
1 1 1  -15    9    4 o  146.582   19.860   29.253   7.3465   60.420   17.132   22.230   8.1321  204.233   33.549  125.358   25.901 78.87514 42.38380 
1 1 1  -15    9    5 o  157.784   15.230   33.196   6.1473   77.980   17.315   26.737   6.5756  235.324   29.021  140.447   18.527 94.87727 34.43084 
1 1 1  -15    9    6 o  227.840   12.117   68.317   7.1252   0.0000   0.0000   68.317   7.1252  ?   ?   227.840   12.117 0.000000 12.11652 
1 1 1  -15    9    7 o   61.389   23.565   3.7107   5.2603   0.0000   0.0000   3.7107   5.2603  ?   ?    61.389   23.565 0.000000 23.56540 
1 1 1  -15    9    8 o  251.702   28.611   89.350   18.322   89.350   18.322   0.0000   0.0000  251.702   28.611  ?   ?  0.000000 28.61061 
1 1 1  -15    9    9 o  265.526   11.552   92.525   7.9454   87.784   10.307   99.470   12.474  256.830   15.566  272.358   17.779 -15.52777 23.63037 
1 1 1  -15    9   10 o  387.917   17.844  201.300   17.930   0.0000   0.0000  201.300   17.930  ?   ?   387.917   17.844 0.000000 17.84437 
1 1 1  -15    9   11 o  246.448   11.921   79.867   7.6103   82.166   9.7818   76.340   12.113  248.339   15.280  237.045   19.912 11.29382 25.09973 
1 1 1  -15    9   12 f  126.152   16.288   21.543   5.1980   26.220   7.3698   16.914   7.3326  137.408   21.403  108.106   26.411 29.30234 33.99450 
1 1 1  -15    9   13 o  144.262   15.503   28.010   5.7025   31.948   7.9331   23.801   8.2027  152.079   20.674  128.847   25.480 23.23203 32.81218 
1 1 1  -15    9   14 o  133.919   29.686   26.582   10.027   30.890   15.940   23.760   12.899  137.687   41.363  123.141   37.258 14.54657 55.66896 
1 1 1  -15    9   15 o  172.704   14.240   39.918   6.3135   45.659   8.9622   34.262   8.8955  182.451   19.254  156.119   22.659 26.33264 29.73483 
1 1 1  -15    9   16 o  177.856   13.544   42.261   6.1929   39.108   8.7564   45.416   8.7597  167.767   20.581  181.885   18.867 -14.11812 27.92063 
1 1 1  -15    9   17 o  128.349   17.725   22.708   5.7355   18.572   7.8538   27.435   8.3957  111.541   27.384  137.888   24.399 -26.34699 36.67707 
1 1 1  -15    9   18 o   92.370   22.799   12.417   5.4220   12.089   7.5149   12.772   7.8306   90.160   28.634   92.338   29.219 -2.178871 40.91026 
1 1 1  -15    9   19 o  174.092   15.653   41.214   6.9832   50.660   10.753   34.325   9.1834  188.688   22.441  154.114   23.769 34.57404 32.68838 
1 1 1  -15    9   20 o   94.491   25.481   13.415   6.3795   13.310   7.9067   13.610   10.799   93.140   29.349   94.405   34.243 -1.264381 45.09879 
1 1 1  -15    9   21 o  148.986   16.859   30.682   6.3915   36.058   8.8436   24.803   9.2479  158.230   22.187  126.405   28.877 31.82508 36.41590 
1 1 1  -15    9   22 o  141.461   17.967   28.018   6.4352   23.445   9.1534   32.488   9.0489  121.951   29.335  148.095   24.441 -26.14403 38.18250 
1 1 1  -15    9   23 f   77.121   31.687   6.7381   10.159   12.920   15.802   2.3840   13.262   94.046   39.160   75.783   33.685 18.26326 51.65508 
1 1 1  -15    9   24 o   52.566   22.975   0.2152   5.9310 -11.4696   8.1581   13.315   8.6379   45.151   21.955   91.000   30.799 -45.84899 37.82327 
1 1 1  -15    9   25 o  179.090   16.418   44.651   7.5316   41.993   10.799   47.170   10.510  165.439   26.061  178.109   23.342 -12.67043 34.98619 
1 1 1  -15    9   26 f   90.893   26.645   13.207   6.6794   18.780   9.5656   7.9035   9.3310  104.195   32.192   76.487   30.756 27.70789 44.52246 
1 1 1  -15    9   27 o   86.585   27.012   12.167   6.7164   19.895   9.5886   4.7233   9.4106  106.231   32.118   69.557   29.655 36.67429 43.71526 
1 1 1  -15    9   28 o   69.731   26.624   7.0232   6.6919   15.149   9.1839  -2.1747   9.7709   92.194   31.747   59.106   27.291 33.08817 41.86533 
1 1 1  -15    9   29 o   47.337   22.475  -5.6417   7.4512 -12.9200   11.408  -0.2272   9.8399   52.311   25.552   61.097   27.905 -8.786434 37.83649 
1 1 1  -15    9   30 o  155.601   23.631   38.307   9.2252   31.778   11.317   51.240   15.927  129.120   33.536  155.793   39.433 -26.67261 51.76451 
1 1 1  -15    9   31 f  113.904   27.083   22.390   7.8738   13.762   11.027   31.366   11.247   83.507   33.485  126.245   33.744 -42.73825 47.53864 
1 1 1  -15    9   32 o   61.470   28.776  -0.5594   11.460   13.160   16.556 -13.1800   15.879   80.531   36.554   59.058   29.107 21.47313 46.72694 
1 1 1  -15    9   33 o   85.798   31.643   15.242   9.2763   30.270   19.354   10.761   10.569   95.837   41.704   75.354   31.745 20.48260 52.41112 
1 1 1  -15    9   34 f   84.145   31.793   15.300   9.4798  -3.2630   18.277   22.132   11.088   65.547   32.086   96.726   34.751 -31.17918 47.29818 
1 1 1  -15    9   35 o   84.844   32.407   16.735   9.9170 -14.5800   19.221   28.095   11.577   59.467   29.752  106.782   35.658 -47.31496 46.44021 
1 1 1  -15    9   36 o   70.472   30.317   10.648   9.9959   1.0770   19.919   13.870   11.556   65.270   32.249   74.924   32.414 -9.653450 45.72379 
1 1 1  -15   10    1 o  191.542   21.449   50.043   10.459   62.420   15.751   40.280   13.989  209.591   29.856  165.617   33.754 43.97343 45.06341 
1 1 1  -15   10    2 o  251.521   18.940   85.064   12.249   87.210   18.046   83.230   16.681  249.120   28.476  244.399   26.789 4.721313 39.09660 
1 1 1  -15   10    3 o  416.000   11.127  226.711   11.990  233.300   24.039  224.529   13.833  414.279   22.485  413.173   12.925 1.105927 25.93550 
1 1 1  -15   10    4 f  196.540   14.116   51.214   7.1385   78.980   18.525   46.372   7.7359  234.929   31.215  186.283   16.193 48.64561 35.16499 
1 1 1  -15   10    5 o  118.181   20.467   19.286   6.0386   0.0000   0.0000   19.286   6.0386  ?   ?   118.181   20.467 0.000000 20.46743 
1 1 1  -15   10    6 o   64.039   23.360   4.7462   5.0358  -4.5840   14.956   5.9391   5.3481   76.942   34.853   68.965   24.199 7.976982 42.43032 
1 1 1  -15   10    7 o  112.413   18.750   17.347   5.2675   43.510   15.834   14.091   5.5856  169.454   37.102  100.084   22.133 69.36990 43.20203 
1 1 1  -15   10    8 o  151.342   17.312   30.940   6.6647   31.300   17.413   30.878   7.2140  140.107   43.458  150.602   18.909 -10.49521 47.39403 
1 1 1  -15   10    9 o  226.833   16.213   68.829   9.4636   68.000   18.555   69.120   11.002  214.109   34.638  226.006   18.969 -11.89680 39.49236 
1 1 1  -15   10   10 o  175.836   13.624   41.098   6.1569   41.070   7.9379   41.140   9.7547  174.208   17.843  172.304   22.385 1.904419 28.62560 
1 1 1  -15   10   11 o  193.871   12.105   49.688   6.0484   50.023   8.6334   49.364   8.4762  192.432   17.512  191.243   17.298 1.188217 24.61459 
1 1 1  -15   10   12 o  131.808   15.895   23.491   5.3175   25.748   7.5815   21.306   7.4601  135.468   22.388  122.101   24.440 13.36759 33.14420 
1 1 1  -15   10   13 o  192.487   15.308   49.706   7.5696   55.519   8.9615   35.230   14.142  202.578   17.242  149.958   36.704 52.62016 40.55223 
1 1 1  -15   10   14 o  127.544   17.464   22.287   5.6181   20.395   8.0650   24.070   7.8307  117.803   27.007  129.619   24.213 -11.81637 36.27180 
1 1 1  -15   10   15 o  328.974   10.623  142.442   9.0526  145.742   13.111  139.435   12.515  329.913   15.342  322.957   14.960 6.956726 21.42807 
1 1 1  -15   10   16 o   47.024   20.618  -0.5763   4.8101   3.3292   6.8304  -4.4186   6.7750   64.193   26.133   48.938   22.642 15.25479 34.57747 
1 1 1  -15   10   17 o  138.080   17.079   26.201   5.9783   31.115   9.1219   22.502   7.9151  146.251   24.976  123.593   25.567 22.65790 35.74149 
1 1 1  -15   10   18 o  111.802   22.586   18.122   6.3158   25.410   10.302   13.734   7.9943  127.313   31.429   94.890   29.448 32.42256 43.06941 
1 1 1  -15   10   19 o  191.131   15.360   49.664   7.5404   55.577   9.9300   41.610   11.589  199.485   19.465  166.261   27.897 33.22343 34.01659 
1 1 1  -15   10   20 o  179.752   14.528   43.841   6.7066   48.179   9.7153   39.892   9.2696  184.348   20.703  166.672   22.009 17.67561 30.21642 
1 1 1  -15   10   21 o  160.991   16.013   35.661   6.5890   41.018   9.5427   30.781   9.1090  168.272   22.453  143.351   25.464 24.92151 33.94970 
1 1 1  -15   10   22 o   70.733   25.582   6.8794   6.0207  -0.1868   8.2661   14.864   8.7868   60.015   26.639   96.017   31.012 -36.00241 40.88282 
1 1 1  -15   10   23 o  103.047   33.613   18.016   10.308   11.380   15.491   23.290   13.810   90.669   38.326  112.390   38.918 -21.72095 54.62121 
1 1 1  -15   10   24 o  121.225   21.967   21.751   6.6438   27.585   9.2815   15.622   9.5145  132.014   28.010   96.438   32.326 35.57568 42.77269 
1 1 1  -15   10   25 o   64.982   25.509   5.1279   6.2703   10.604   8.7856  -0.5571   8.9519   82.475   30.719   60.402   27.198 22.07270 41.02909 
1 1 1  -15   10   26 o   57.207   24.645   1.6937   6.6243   4.4135   9.3021  -1.1047   9.4356   68.970   29.446   60.427   27.493 8.542629 40.28576 
1 1 1  -15   10   27 o  101.461   26.625   16.840   7.0855   18.645   10.117   15.102   9.9269  100.810   33.319   91.799   32.892 9.010986 46.81902 
1 1 1  -15   10   28 o   90.301   27.595   13.831   7.0508   19.502   10.196   8.6326   9.7612  101.455   33.445   75.922   31.112 25.53355 45.67843 
1 1 1  -15   10   29 o   66.324   28.789   4.4153   9.1774   8.2710   12.284  -0.4559   13.807   76.180   33.186   67.519   31.600 8.661346 45.82478 
1 1 1  -15   10   30 o  173.614   19.007   44.975   8.4080   48.195   11.928   41.795   11.854  167.105   28.584  151.743   31.200 15.36197 42.31381 
1 1 1  -15   10   31 o   57.613   25.119   2.6470   7.0505   13.708   9.8812  -8.8245   10.063   83.103   32.190   50.680   24.583 32.42294 40.50336 
1 1 1  -15   10   32 o   59.884   27.508   1.0748   9.7490   13.140   18.932  -3.2789   11.373   79.485   37.137   58.011   27.607 21.47387 46.27456 
1 1 1  -15   10   33 o   78.933   28.909   12.095   7.7234   4.0542   11.087   19.676   10.765   64.787   29.602   92.472   34.090 -27.68432 45.14893 
1 1 1  -15   10   34 o   84.079   30.078   14.799   8.2979   8.7465   12.217   19.983   11.306   70.304   31.704   89.866   34.536 -19.56219 46.88165 
1 1 1  -15   10   35 o   76.484   31.356   13.414   9.9197  -0.5379   19.513   18.277   11.519   65.131   32.131   83.595   33.974 -18.46379 46.76186 
1 1 1  -15   10   36 o   48.849   23.628  -4.7452   9.1303  -5.6020   18.517  -4.4701   10.495   60.078   29.923   51.703   25.085 8.375050 39.04689 
1 1 1  -15   11    1 o  229.947   12.791   69.794   7.5888   57.810   16.786   72.872   8.5078  198.424   33.876  234.522   14.070 -36.09772 36.68145 
1 1 1  -15   11    2 o  114.523   40.513   18.990   15.014   0.0000   0.0000   18.990   15.014  ?   ?   114.523   40.513 0.000000 40.51305 
1 1 1  -15   11    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   11    4 o   25.480   12.782 -10.4965   3.6609   9.7300   15.753 -11.6511   3.7639   98.061   39.775   25.092   12.637 72.96813 41.73410 
1 1 1  -15   11    5 o   88.196   21.730   10.964   4.9319   3.6950   15.457   11.787   5.2039   88.282   37.831   91.361   22.207 -3.079094 43.86717 
1 1 1  -15   11    6 o  298.746   10.653  116.982   8.2437  123.400   20.139  115.690   9.0354  296.935   26.460  296.708   11.756 0.2271729 28.95429 
1 1 1  -15   11    7 o  272.592   11.315   97.578   7.9893   84.080   19.528  100.291   8.7556  240.216   32.193  276.032   12.246 -35.81584 34.44323 
1 1 1  -15   11    8 o  181.284   15.806   44.056   7.3479   30.940   17.554   46.843   8.0908  138.184   43.750  186.513   16.931 -48.32851 46.91169 
1 1 1  -15   11    9 o  158.414   17.407   34.000   7.0249   25.330   17.230   35.728   7.6934  126.332   43.485  161.904   18.688 -35.57261 47.33096 
1 1 1  -15   11   10 o  210.388   13.168   58.739   7.1403   67.530   18.898   57.275   7.7119  210.895   35.878  207.230   14.457 3.665176 38.68167 
1 1 1  -15   11   11 f  231.803   14.348   71.645   8.5730   40.880   19.555   78.965   9.5386  155.034   45.632  242.962   15.233 -87.92804 48.10719 
1 1 1  -15   11   12 o  192.188   12.606   49.036   6.2410   54.707   8.8634   43.460   8.7892  200.992   17.190  177.932   19.383 23.05984 25.90756 
1 1 1  -15   11   13 o  429.490   15.651  247.043   17.412  217.000   24.855  276.000   24.401  392.610   24.563  448.067   21.024 -55.45706 32.33220 
1 1 1  -15   11   14 o  232.910   11.946   71.910   7.1827   68.889   10.308   74.760   10.014  224.808   17.848  235.048   16.554 -10.24020 24.34309 
1 1 1  -15   11   15 o  198.019   13.030   52.339   6.6460   43.628   9.2241   61.743   9.5841  176.863   20.515  212.654   17.556 -35.79131 27.00178 
1 1 1  -15   11   16 f   83.586   23.866   10.204   5.4232   5.2365   8.0070   14.415   7.3714   71.557   28.590   97.731   27.797 -26.17382 39.87559 
1 1 1  -15   11   17 o   82.972   25.484   10.130   6.0045   11.520   9.4005   9.1719   7.8039   88.859   31.990   81.059   29.151 7.800140 43.27946 
1 1 1  -15   11   18 o  160.672   18.815   36.036   7.6825   48.350   11.159   24.940   10.593  182.362   24.223  124.650   32.479 57.71169 40.51704 
1 1 1  -15   11   19 f  115.380   20.875   19.167   6.0091   34.709   9.1021   7.1606   8.0003  154.234   23.528   75.233   29.014 79.00124 37.35493 
1 1 1  -15   11   20 o   90.115   25.023   12.315   6.0488   13.247   8.9183   11.521   8.2316   91.817   31.294   86.840   30.048 4.976929 43.38393 
1 1 1  -15   11   21 o   57.263   23.733   2.4130   5.7652   2.2882   8.6903   2.5111   7.7048   65.541   28.232   63.324   26.912 2.216648 39.00327 
1 1 1  -15   11   22 o   56.879   24.906   0.4677   6.9992  -6.0618   8.2602   17.090   13.179   51.307   24.149   99.498   37.512 -48.19074 44.61321 
1 1 1  -15   11   23 o   67.211   27.255   4.9162   7.3946   11.690   15.909   3.0496   8.3515   90.454   38.561   65.437   27.919 25.01688 47.60700 
1 1 1  -15   11   24 o  173.776   16.291   42.148   7.2475   37.574   10.335   46.573   10.166  155.240   26.662  177.073   22.686 -21.83347 35.00745 
1 1 1  -15   11   25 o   67.551   25.693   6.1975   6.2174  -3.2725   9.0577   14.635   8.5497   56.512   26.158   92.871   30.627 -36.35872 40.27720 
1 1 1  -15   11   26 o   91.732   26.731   13.788   6.7401   17.404   9.5433   10.189   9.5207   98.536   32.351   80.301   31.460 18.23416 45.12555 
1 1 1  -15   11   27 o   66.512   26.481   5.8721   6.8467  -0.5675   9.6927   12.285   9.6728   60.676   27.706   84.060   32.030 -23.38369 42.35024 
1 1 1  -15   11   28 o  182.121   19.779   49.381   9.1808   62.360   15.438   42.280   11.420  184.853   33.474  157.431   29.074 27.42212 44.33733 
1 1 1  -15   11   29 o   67.688   27.893   6.3964   7.9003   8.5239   9.9626   2.7920   12.968   73.894   30.958   68.877   31.672 5.017296 44.28878 
1 1 1  -15   11   30 o   87.060   29.020   14.058   7.6685   22.144   10.932   6.2238   10.760  101.857   34.648   69.635   30.676 32.22225 46.27607 
1 1 1  -15   11   31 o   66.274   28.591   5.9249   8.9411   13.754   10.630 -13.0100   16.532   81.641   32.827   59.706   29.477 21.93502 44.11973 
1 1 1  -15   11   32 o   94.156   32.419   18.980   9.5763   21.780   18.541   17.961   11.183   86.126   38.928   88.233   34.227 -2.107658 51.83473 
1 1 1  -15   11   33 o  118.994   26.605   25.497   7.9947   21.250   11.886   29.006   10.803   91.830   35.380  114.721   33.959 -22.89101 49.04048 
1 1 1  -15   11   34 o  123.937   26.959   28.373   8.4084   44.037   11.933   12.927   11.850  145.543   32.477   74.903   32.613 70.63988 46.02590 
1 1 1  -15   11   35 o  117.938   28.325   27.440   8.5446   16.848   12.406   36.998   11.786   78.141   33.695  124.093   35.096 -45.95271 48.65277 
1 1 1  -15   11   36 o  103.439   33.736   27.502   10.384   6.0560   21.196   34.276   11.912   65.036   32.331  111.616   36.114 -46.58023 48.47157 
1 1 1  -15   12    1 o  110.144   27.145   17.573   7.6949   13.760   14.941   18.950   8.9769  103.437   39.713  113.480   30.060 -10.04353 49.80753 
1 1 1  -15   12    2 o   68.679   23.212   6.1605   4.9063   16.760   14.480   4.7858   5.2147  108.785   39.622   64.478   23.733 44.30733 46.18632 
1 1 1  -15   12    3 o   86.880   33.306   8.8113   10.499   28.460   16.525  -4.4860   13.595  133.705   42.461   72.894   33.102 60.81101 53.83950 
1 1 1  -15   12    4 o  153.719   28.094   34.063   10.774   33.840   17.471   34.200   13.686  144.508   43.280  149.645   35.790 -5.137878 56.16128 
1 1 1  -15   12    5 o  194.975   14.357   50.637   7.1998   41.990   16.554   52.655   7.9957  163.448   39.532  198.315   15.693 -34.86661 42.53339 
1 1 1  -15   12    6 o  178.900   13.745   42.590   6.3207   55.260   18.294   40.873   6.7355  188.604   38.743  174.781   15.023 13.82237 41.55402 
1 1 1  -15   12    7 o  187.718   14.602   47.054   7.0441   38.080   16.451   49.069   7.7949  154.116   40.630  191.200   15.883 -37.08357 43.62435 
1 1 1  -15   12    8 o  196.868   14.866   51.823   7.5249   34.620   18.150   55.394   8.2690  144.094   44.315  203.148   15.839 -59.05418 47.06070 
1 1 1  -15   12    9 f  156.087   22.393   34.095   8.7944   45.220   17.241   30.183   10.225  167.796   40.195  143.514   28.509 24.28130 49.27902 
1 1 1  -15   12   10 o  199.755   17.946   54.249   9.1866   70.970   17.542   47.930   10.784  218.466   31.942  184.900   23.013 33.56538 39.36906 
1 1 1  -15   12   11 o  161.641   15.969   35.329   6.5989   24.540   17.288   37.169   7.1394  122.321   43.451  165.424   16.899 -43.10326 46.62188 
1 1 1  -15   12   12 o  180.708   26.593   47.277   12.076   64.250   18.807   35.370   15.752  201.667   37.378  146.005   40.321 55.66185 54.98093 
1 1 1  -15   12   13 o   80.399   23.446   9.3115   5.1836   12.658   7.2902   5.8894   7.3720   92.374   28.023   72.115   27.841 20.25848 39.50162 
1 1 1  -15   12   14 o   75.899   24.368   8.1713   5.4313   9.3056   7.6556   7.0217   7.7067   81.789   28.929   75.528   28.635 6.261345 40.70442 
1 1 1  -15   12   15 o  240.364   11.736   76.588   7.3072   69.331   10.280   83.999   10.389  224.774   17.802  248.686   16.216 -23.91161 24.08023 
1 1 1  -15   12   16 o  121.763   21.275   21.226   6.4660   16.530   9.8514   24.780   8.5704  102.181   32.820  128.591   26.607 -26.41040 42.25032 
1 1 1  -15   12   17 f   60.539   24.476   3.2490   5.9448   2.0440   8.0736   4.6760   8.7858   64.196   27.421   71.354   29.411 -7.157990 40.21077 
1 1 1  -15   12   18 o   85.084   24.174   10.823   5.5781   18.186   7.9286   3.6067   7.8492  108.186   28.056   66.511   27.639 41.67496 39.38382 
1 1 1  -15   12   19 f   71.497   24.342   7.2784   5.3958   13.626   7.6724   1.0662   7.5899   93.217   28.836   60.334   26.185 32.88364 38.95071 
1 1 1  -15   12   20 o   70.537   24.735   7.0144   5.5873   1.6916   8.0124   12.053   7.7953   62.522   27.019   87.829   29.258 -25.30686 39.82533 
1 1 1  -15   12   21 o  248.375   12.607   83.101   8.0846   85.020   11.864   81.436   11.047  245.580   18.793  241.332   17.797 4.248001 25.88228 
1 1 1  -15   12   22 o  190.031   25.981   55.152   12.454   38.670   18.808   68.020   16.619  134.199   45.447  202.839   32.745 -68.63997 56.01524 
1 1 1  -15   12   23 f  100.052   25.382   15.700   6.5885   5.8725   9.6076   24.424   9.0523   72.928   30.465  122.463   28.987 -49.53469 42.05185 
1 1 1  -15   12   24 o   52.250   23.045   0.1156   6.0900  -5.0690   8.8233   4.8327   8.4162   53.552   25.127   68.164   28.497 -14.61163 37.99280 
1 1 1  -15   12   25 o   63.478   25.389   4.8284   6.3220  -3.6332   9.2960   12.110   8.6232   56.306   26.212   84.889   30.629 -28.58227 40.31343 
1 1 1  -15   12   26 o   81.270   26.988   10.890   6.6344   10.507   9.8854   11.203   8.9492   80.238   31.860   81.586   30.875 -1.347748 44.36539 
1 1 1  -15   12   27 o   46.500   21.694  -3.3764   6.4235  -9.2127   9.5053   1.5293   8.7145   49.988   24.162   60.874   27.165 -10.88515 36.35576 
1 1 1  -15   12   28 o   77.045   29.313   10.225   8.0941   8.7165   10.996   12.010   11.958   75.104   32.039   81.080   33.939 -5.976448 46.67278 
1 1 1  -15   12   29 o  115.310   26.657   22.864   7.8030   32.077   11.450   14.875   10.662  126.519   34.146   85.513   33.350 41.00616 47.73029 
1 1 1  -15   12   30 o   41.204   20.089  -8.6510   6.9598  -8.2230   9.6936  -9.1065   9.9989   49.918   24.193   49.940   24.288 -0.2166748E-01 34.28172 
1 1 1  -15   12   31 o   56.514   27.092  -4.4083   11.389  -7.2180   18.436  -2.6740   14.484   64.340   31.642   62.756   30.206 1.583626 43.74500 
1 1 1  -15   12   32 o   56.473   25.373   2.0927   7.7408   6.6505   11.170  -2.1193   10.738   67.600   30.416   56.768   26.960 10.83284 40.64399 
1 1 1  -15   12   33 o   52.819   24.221   0.5048   7.5136   1.4985   10.562  -0.5133   10.691   59.432   27.758   57.438   27.168 1.993614 38.84051 
1 1 1  -15   12   34 o   90.123   30.130   17.805   8.2655   16.478   11.763   19.099   11.617   79.022   33.400   83.904   34.111 -4.881996 47.73990 
1 1 1  -15   12   35 o   53.606   24.597   1.9148   7.7649  -3.1167   11.171   6.6174   10.800   53.495   25.938   62.935   28.926 -9.440598 38.85205 
1 1 1  -15   13    1 o  122.215   18.721   20.550   5.7379   1.7220   15.643   23.477   6.1678   85.068   37.243  130.778   18.743 -45.71003 41.69316 
1 1 1  -15   13    2 o  129.458   15.824   22.654   5.1960   15.110   14.714   23.729   5.5538  104.810   39.607  132.275   16.573 -27.46517 42.93457 
1 1 1  -15   13    3 o  128.638   16.335   22.438   5.3203   22.220   16.316   22.463   5.6279  119.536   42.238  128.343   17.375 -8.806686 45.67259 
1 1 1  -15   13    4 o   59.475   25.646   0.3626   7.1864   22.440   16.806  -4.5774   7.9498  119.889   42.814   54.013   24.822 65.87580 49.48935 
1 1 1  -15   13    5 o  204.833   22.909   58.463   11.947   74.200   17.769   45.480   16.139  224.559   31.408  170.637   37.534 53.92145 48.94135 
1 1 1  -15   13    6 o  189.803   39.948   57.350   19.019   57.350   19.019   0.0000   0.0000  189.803   39.948  ?   ?  0.000000 39.94777 
1 1 1  -15   13    7 o   82.957   24.581   9.8371   5.6582   23.170   16.380   8.0305   6.0293  120.367   42.344   76.679   25.733 43.68774 49.54977 
1 1 1  -15   13    8 o  230.424   12.385   70.383   7.3653   52.230   17.816   74.125   8.0888  180.691   39.193  236.084   13.281 -55.39276 41.38222 
1 1 1  -15   13    9 f   33.814   16.549  -8.8714   4.8553   3.9600   15.297 -10.3089   5.1201   86.035   37.257   33.682   16.586 52.35308 40.78170 
1 1 1  -15   13   10 o  135.268   18.281   25.227   6.2413   6.3820   16.723   28.277   6.7274   91.398   39.263  143.193   18.575 -51.79433 43.43546 
1 1 1  -15   13   11 o   89.507   24.333   11.700   5.7897   40.110   17.324   8.1275   6.1429  153.101   42.287   76.627   25.973 76.47373 49.62646 
1 1 1  -15   13   12 o  115.357   34.615   21.227   11.168   19.540   17.486   22.390   14.514  110.933   42.863  116.253   39.918 -5.320740 58.57195 
1 1 1  -15   13   13 o  208.973   13.965   58.649   7.5159   8.3030   18.761   68.274   8.2029   94.996   41.198  225.446   14.118 -130.4502 43.55008 
1 1 1  -15   13   14 o   99.313   27.734   15.011   7.4085  -1.7250   17.255   18.793   8.2030   80.826   36.930  110.746   28.446 -29.92061 46.61554 
1 1 1  -15   13   15 o  108.545   22.380   17.162   6.0833   7.1610   9.5778   23.924   7.8758   78.363   31.283  127.208   24.793 -48.84428 39.91617 
1 1 1  -15   13   16 o  292.080   20.946  120.500   15.742   0.0000   0.0000  120.500   15.742  ?   ?   292.080   20.946 0.000000 20.94583 
1 1 1  -15   13   17 o  177.666   15.066   43.071   6.8684   46.572   9.8972   39.819   9.5393  180.145   21.643  165.535   22.857 14.61017 31.47808 
1 1 1  -15   13   18 o   64.706   24.224   5.2710   5.4771   9.4998   8.1768   1.8296   7.3765   80.904   29.728   61.082   26.154 19.82154 39.59497 
1 1 1  -15   13   19 o   70.592   24.909   7.0296   5.6721   8.2159   8.0243   5.8449   8.0189   76.985   29.211   71.154   28.547 5.830597 40.84367 
1 1 1  -15   13   20 o   60.963   24.089   4.0539   5.6259   1.7265   8.0131   6.3164   7.9005   62.217   26.954   71.724   28.481 -9.506493 39.21317 
1 1 1  -15   13   21 o   76.475   26.167   8.8166   6.2355   10.172   8.5193   7.2525   9.1512   81.678   30.284   75.428   30.413 6.249168 42.91924 
1 1 1  -15   13   22 o  138.229   24.961   29.371   8.6086   15.930   16.913   34.070   10.001   95.417   40.174  146.931   27.282 -51.51400 48.56194 
1 1 1  -15   13   23 o   45.839   21.258  -3.3216   6.0249  -4.6293   8.1340  -1.7320   8.9678   51.821   24.254   58.278   26.626 -6.457020 36.01673 
1 1 1  -15   13   24 o  167.722   17.125   40.008   7.3356   37.673   10.410   42.312   10.339  153.015   27.263  164.778   25.008 -11.76266 36.99602 
1 1 1  -15   13   25 o   69.361   26.448   7.0272   6.5980   13.902   9.3185   0.1158   9.3434   88.261   31.840   60.866   27.561 27.39476 42.11212 
1 1 1  -15   13   26 o   88.665   27.017   13.374   6.7652   21.622   9.6263   5.3257   9.5095  107.736   32.094   68.746   29.572 38.98982 43.64090 
1 1 1  -15   13   27 o   60.964   26.913   2.5053   8.3253   9.1720   11.961  -3.7590   11.595   76.505   33.037   59.772   28.278 16.73317 43.48672 
1 1 1  -15   13   28 o   86.677   32.892   15.173   10.175   0.0000   0.0000   15.173   10.175  ?   ?    86.677   32.892 0.000000 32.89241 
1 1 1  -15   13   29 o   55.480   24.659   1.6299   7.1060   14.979   10.312 -10.4398   9.8057   84.682   32.862   48.364   23.638 36.31804 40.48014 
1 1 1  -15   13   30 o   92.348   28.755   16.345   7.6155   21.659   10.766   11.023   10.774   97.854   34.335   75.372   31.917 22.48206 46.87816 
1 1 1  -15   13   31 o   61.375   29.152  -0.2834   12.564   8.8650   18.575  -8.0000   17.059   73.300   34.993   61.412   30.248 11.88809 46.25383 
1 1 1  -15   13   32 o   53.383   24.376   0.8394   7.5020  -4.8284   10.968   5.8231   10.284   53.945   26.045   64.737   29.151 -10.79251 39.09100 
1 1 1  -15   13   33 o  207.776   25.398   77.275   13.385   0.0000   0.0000   77.275   13.385  ?   ?   207.776   25.398 0.000000 25.39772 
1 1 1  -15   13   34 o   97.262   30.211   21.003   8.4119   25.855   12.241   16.661   11.579   92.940   35.876   77.579   32.981 15.36055 48.73227 
1 1 1  -15   13   35 o   78.462   30.199   15.485   8.6535   1.4004   12.292   29.325   12.185   57.349   27.659   96.452   36.127 -39.10381 45.49928 
1 1 1  -15   14    1 o  327.180   9.9478  140.457   8.4307  145.400   20.680  139.471   9.2327  321.253   25.049  325.586   10.947 -4.333313 27.33724 
1 1 1  -15   14    2 o  204.176   12.160   55.237   6.4021   85.030   18.168   51.013   6.8409  241.291   29.694  195.639   13.583 45.65228 32.65368 
1 1 1  -15   14    3 o  240.215   11.244   76.006   6.9965   61.960   17.579   78.649   7.6266  201.159   35.009  244.049   12.064 -42.89014 37.02946 
1 1 1  -15   14    4 o  328.288   10.639  141.739   9.0474  161.400   22.823  138.074   9.8548  336.638   26.385  323.470   11.762 13.16812 28.88760 
1 1 1  -15   14    5 o  240.011   13.352   76.674   8.2681   64.930   18.517   79.599   9.2405  204.379   36.307  243.871   14.697 -39.49187 39.16837 
1 1 1  -15   14    6 o  238.911   34.338   87.140   20.640   87.140   20.640   0.0000   0.0000  238.911   34.338  ?   ?  0.000000 34.33844 
1 1 1  -15   14    7 o   94.781   35.029   12.645   11.380   32.630   17.382  -2.3460   15.055  137.663   43.530   77.344   35.007 60.31831 55.86009 
1 1 1  -15   14    8 o  128.352   19.158   22.918   6.1743   12.620   16.465   24.603   6.6603   99.719   40.583  132.678   20.001 -32.95930 45.24397 
1 1 1  -15   14    9 o   80.070   23.570   9.2483   5.2171   1.5240   15.752   10.200   5.5292   82.807   36.764   83.767   24.153 -0.9599228 43.98831 
1 1 1  -15   14   10 o   70.533   24.605   6.6613   5.5253   0.9416   16.015   7.4341   5.8868   82.256   36.758   73.716   25.416 8.539375 44.68888 
1 1 1  -15   14   11 o   55.121   25.152  -3.2978   7.9696   8.5030   15.773  -7.3435   9.2353   91.237   38.626   54.365   25.572 36.87218 46.32318 
1 1 1  -15   14   12 o  208.929   15.749   59.312   8.4603   26.330   18.364   68.199   9.5322  120.843   44.528  223.551   16.580 -102.7074 47.51455 
1 1 1  -15   14   13 o   62.074   24.094   4.1730   5.5444 -38.3700   18.096   8.5803   5.8246   57.924   28.963   77.107   25.272 -19.18290 38.43852 
1 1 1  -15   14   14 o  112.693   28.141   19.628   8.1899   0.0000   0.0000   19.628   8.1899  ?   ?   112.693   28.141 0.000000 28.14122 
1 1 1  -15   14   15 o  164.308   23.934   39.575   9.8871   6.6930   18.192   53.360   11.779   89.531   39.641  190.683   24.407 -101.1514 46.55191 
1 1 1  -15   14   16 o   61.626   23.465   4.4927   5.1890   6.4025   7.2974   2.5393   7.3801   71.601   27.683   62.646   26.466 8.954948 38.29879 
1 1 1  -15   14   17 f  101.372   22.352   15.259   5.7115   13.395   8.1767   17.035   7.9816   91.785   29.936  103.427   28.753 -11.64183 41.50801 
1 1 1  -15   14   18 o   75.646   25.113   8.5102   5.7448   14.812   8.0296   1.9018   8.2225   95.828   29.476   63.231   27.348 32.59674 40.20885 
1 1 1  -15   14   19 o   77.016   25.437   8.9569   5.8969   10.883   8.9234   7.4633   7.8570   83.976   31.022   74.292   28.725 9.683952 42.27853 
1 1 1  -15   14   20 o   89.478   25.352   12.529   6.1440   22.697   9.0148   3.7087   8.3961  117.582   29.614   66.519   28.172 51.06267 40.87410 
1 1 1  -15   14   21 o   82.201   33.592   9.7934   11.340   6.5320   16.130   12.980   15.944   82.399   36.851   90.485   38.590 -8.086372 53.35887 
1 1 1  -15   14   22 o   60.274   24.627   3.6913   6.0935   0.4806   8.5298   7.0376   8.7080   60.295   26.894   73.084   29.597 -12.78907 39.99085 
1 1 1  -15   14   23 o   49.515   22.499  -1.5506   6.2933   8.0316   8.9680 -10.8481   8.8337   74.922   30.143   47.127   22.899 27.79528 37.85445 
1 1 1  -15   14   24 o   79.799   27.126   10.485   6.7007   6.8266   9.8108   13.684   9.1737   72.672   30.598   87.634   31.595 -14.96249 43.98288 
1 1 1  -15   14   25 o   42.388   20.232  -5.7439   6.2031  -6.2627   9.0301  -5.2805   8.5357   51.475   24.525   51.092   24.198 0.3831406 34.45345 
1 1 1  -15   14   26 o   39.967   19.760 -12.9525   7.5200 -20.9400   10.160  -3.2750   11.183   43.065   21.558   59.360   27.988 -16.29491 35.32808 
1 1 1  -15   14   27 o   83.763   28.046   12.686   7.1619   18.097   10.261   7.5463   10.001   93.424   33.444   71.186   30.466 22.23788 45.24028 
1 1 1  -15   14   28 o   46.326   21.878  -3.8771   6.8846 -12.0417   9.5644   4.9023   9.9179   46.433   22.827   65.786   29.191 -19.35302 37.05679 
1 1 1  -15   14   29 o   98.798   28.816   18.598   7.8298   25.812   11.426   12.210   10.751  105.881   35.424   77.404   32.272 28.47705 47.92003 
1 1 1  -15   14   30 o   45.716   22.259  -8.2178   8.4627  -8.5498   9.8216  -7.2610   16.675   48.970   23.873   61.325   30.146 -12.35441 38.45445 
1 1 1  -15   14   31 o   60.712   27.269   4.0298   8.9343   20.520   18.375  -1.0753   10.224   80.956   37.397   56.197   26.577 24.75963 45.87837 
1 1 1  -15   14   32 o   77.895   28.964   12.888   7.8036   17.024   11.131   8.8902   10.943   81.435   33.280   68.137   30.422 13.29756 45.08942 
1 1 1  -15   14   33 o  133.081   26.246   33.162   8.7262   35.549   12.570   30.942   12.123  113.568   37.121  105.074   36.459 8.493546 52.03107 
1 1 1  -15   14   34 o   81.810   30.357   16.546   8.5641   24.390   12.424   9.4444   11.821   86.454   35.226   65.317   30.110 21.13670 46.34106 
1 1 1  -15   15    1 o   49.400   20.438   1.2987   4.2650  -2.7960   16.716   1.5838   4.4110   80.328   36.565   50.894   20.892 29.43359 42.11269 
1 1 1  -15   15    2 o  106.636   18.032   15.802   4.8032   28.310   14.484   14.256   5.0913  130.726   39.465  100.321   20.289 30.40445 44.37467 
1 1 1  -15   15    3 o  185.239   12.943   45.769   6.1713   62.260   17.894   43.543   6.5746  199.079   36.027  180.124   14.207 18.95569 38.72681 
1 1 1  -15   15    4 o  191.589   12.911   48.957   6.3698   51.900   17.513   48.508   6.8382  178.372   38.992  190.236   13.975 -11.86348 41.42075 
1 1 1  -15   15    5 o  206.009   13.520   56.756   7.1747   93.010   18.458   50.303   7.7871  251.084   28.908  192.819   15.728 58.26468 32.90926 
1 1 1  -15   15    6 o  321.784   12.178  137.288   10.151  200.700   24.084  123.589   11.194  374.847   24.946  304.035   14.214 70.81223 28.71121 
1 1 1  -15   15    7 o  151.302   23.604   32.900   8.9488   31.770   18.463   33.247   10.231  132.587   45.028  149.661   27.401 -17.07359 52.70935 
1 1 1  -15   15    8 o  368.252   16.699  183.936   15.929  192.900   24.318  177.200   21.081  365.144   25.879  353.633   23.141 11.51144 34.71608 
1 1 1  -15   15    9 o   66.738   29.613  -0.2853   10.206   0.0941   15.436  -0.5800   13.604   79.440   35.748   74.798   33.619 4.642418 49.07257 
1 1 1  -15   15   10 o  224.064   17.109   68.815   9.8547   53.690   19.146   74.267   11.494  174.060   42.771  231.043   19.385 -56.98254 46.95918 
1 1 1  -15   15   11 o   66.546   26.063   4.8720   6.5329   3.0850   16.671   5.1962   7.1009   84.303   37.600   68.746   27.095 15.55694 46.34593 
1 1 1  -15   15   12 o  133.375   20.632   25.397   6.8978   25.220   20.152   25.420   7.3413  116.156   45.689  132.527   22.168 -16.37099 50.78268 
1 1 1  -15   15   13 o   77.887   28.115   8.5918   7.2669   0.0000   0.0000   8.5918   7.2669  ?   ?    77.887   28.115 0.000000 28.11466 
1 1 1  -15   15   14 o  135.801   19.256   26.165   6.5840   6.5880   17.250   29.503   7.1232   87.536   38.687  144.109   19.590 -56.57323 43.36393 
1 1 1  -15   15   15 o  148.335   17.546   30.797   6.6111   8.5440   16.889   34.824   7.1844   88.825   38.797  157.587   17.919 -68.76234 42.73555 
1 1 1  -15   15   16 o  175.326   15.699   42.393   7.0543   45.360   17.569   41.823   7.7024  153.354   42.668  172.932   17.433 -19.57806 46.09227 
1 1 1  -15   15   17 o   77.916   28.462   8.9472   7.4798  -8.7730   16.334   13.649   8.4138   69.388   33.039   91.657   30.390 -22.26892 44.89017 
1 1 1  -15   15   18 f  145.262   17.118   29.686   6.3175   23.831   9.1138   35.102   8.7650  120.969   29.378  153.795   22.683 -32.82589 37.11578 
1 1 1  -15   15   19 o  121.143   20.473   21.528   6.1955   20.535   8.9181   22.454   8.6133  110.790   30.233  117.498   28.575 -6.707939 41.60013 
1 1 1  -15   15   20 o   85.144   28.357   11.774   7.3226   8.8297   8.4295   20.830   14.783   77.208   29.781  102.620   39.478 -25.41246 49.45107 
1 1 1  -15   15   21 o   65.685   27.751   4.1126   8.1149   4.1230   17.248   4.1096   9.1964   79.623   36.581   67.835   29.128 11.78802 46.76110 
1 1 1  -15   15   22 o   60.189   24.793   3.7169   6.2384   8.4156   8.8323  -0.9609   8.8126   75.382   30.057   58.251   26.529 17.13116 40.08982 
1 1 1  -15   15   23 o  134.373   21.391   27.385   7.1958   31.281   10.338   23.724   10.022  134.105   30.456  113.582   32.448 20.52281 44.50229 
1 1 1  -15   15   24 o   63.487   25.819   5.0931   6.6584   14.878   9.6930  -3.6496   9.1623   88.815   32.407   54.677   25.639 34.13799 41.32257 
1 1 1  -15   15   25 o   55.328   24.724   0.8117   7.2443   3.1900   11.384  -0.8070   9.3913   67.065   30.390   58.176   26.825 8.888527 40.53563 
1 1 1  -15   15   26 o   62.785   27.085   4.3260   8.0226  -0.1663   11.024   9.3840   11.697   61.495   28.599   75.076   32.545 -13.58172 43.32558 
1 1 1  -15   15   27 o   51.449   23.682  -1.0164   7.2758 -12.1754   10.544   9.1276   10.053   48.810   23.990   72.757   30.821 -23.94743 39.05701 
1 1 1  -15   15   28 o  148.621   21.982   35.605   8.2073   41.379   11.977   30.492   11.270  143.652   32.895  118.409   34.582 25.24325 47.72778 
1 1 1  -15   15   29 o  141.508   23.436   33.542   8.2896   37.146   11.845   30.083   11.605  130.992   34.450  113.610   35.517 17.38242 49.48006 
1 1 1  -15   15   30 o   93.457   37.134   25.055   13.438   8.5640   20.458   37.570   17.822   71.606   34.806  101.493   41.867 -29.88664 54.44555 
1 1 1  -15   15   31 o  147.744   22.845   37.129   8.4607   44.895   12.432   30.429   11.547  142.106   34.189  110.033   35.553 32.07290 49.32460 
1 1 1  -15   15   32 o   98.285   29.699   20.885   8.2001   14.957   11.760   26.493   11.440   74.959   32.563   97.968   35.287 -23.00890 48.01640 
1 1 1  -15   15   33 o  111.384   30.002   27.155   8.8498   38.851   12.951   16.912   12.121  114.726   37.689   75.096   32.832 39.62988 49.98399 
1 1 1  -15   16    1 o  113.610   17.812   17.957   5.0695   33.340   15.238   16.042   5.3757  139.583   40.053  106.216   20.278 33.36771 44.89351 
1 1 1  -15   16    2 f  248.787   11.447   81.943   7.3771   68.290   19.077   84.344   7.9994  205.484   37.212  252.005   12.254 -46.52191 39.17758 
1 1 1  -15   16    3 o  112.823   18.647   17.839   5.2592   24.210   14.970   16.942   5.6173  118.992   40.544  108.998   20.652 9.994446 45.50093 
1 1 1  -15   16    4 o  131.347   17.762   23.914   5.8880   18.620   15.596   24.794   6.3586  107.452   40.735  133.190   18.966 -25.73781 44.93406 
1 1 1  -15   16    5 o   67.916   23.681   6.1846   5.1174   9.1420   15.676   5.8319   5.4140   91.564   38.622   67.216   24.266 24.34800 45.61226 
1 1 1  -15   16    6 o  150.787   22.794   32.707   8.6251   54.490   18.557   26.705   9.7413  177.560   41.150  131.814   29.291 45.74535 50.51029 
1 1 1  -15   16    7 o   72.393   24.582   7.3311   5.5028   31.010   17.367   4.6886   5.8017  129.618   43.673   64.298   24.733 65.32020 50.18968 
1 1 1  -15   16    8 o  124.279   18.924   21.744   5.8996   35.140   17.945   20.120   6.2468  136.578   44.339  118.324   21.158 18.25446 49.12852 
1 1 1  -15   16    9 o  111.345   34.188   20.463   10.808   0.3499   16.897   34.390   14.060   81.212   36.889  141.611   37.672 -60.39839 52.72528 
1 1 1  -15   16   10 o   65.901   29.575  -0.7919   10.486   1.4450   16.937  -2.1820   13.352   82.038   37.132   71.141   32.498 10.89754 49.34471 
1 1 1  -15   16   11 o  159.684   22.533   37.026   9.0614   0.0000   0.0000   37.026   9.0614  ?   ?   159.684   22.533 0.000000 22.53330 
1 1 1  -15   16   12 o   53.946   23.911  -0.5462   6.6367 -17.9400   16.763   2.6869   7.2272   64.702   31.464   62.442   26.275 2.260357 40.99164 
1 1 1  -15   16   13 o  184.715   20.541   48.847   9.6617   35.370   18.352   54.014   11.364  131.630   44.892  191.752   23.362 -60.12204 50.60683 
1 1 1  -15   16   14 o  105.714   24.298   17.001   6.5142   31.170   17.435   14.702   7.0228  123.834   43.673   96.676   27.005 27.15728 51.34767 
1 1 1  -15   16   15 o  153.725   17.910   33.357   6.9980   21.200   16.874   35.882   7.6905  105.409   41.697  158.629   19.100 -53.22012 45.86396 
1 1 1  -15   16   16 o  260.754   12.628   91.668   8.5291   63.850   20.195   97.707   9.4095  179.950   43.750  268.078   13.595 -88.12782 45.81314 
1 1 1  -15   16   17 o   55.367   23.924   1.1779   6.2800 -25.0000   16.047   5.9125   6.8243   57.557   28.530   68.139   26.651 -10.58146 39.04156 
1 1 1  -15   16   18 o   44.378   21.201  -6.8910   6.8435 -19.2300   15.966  -4.1137   7.5746   60.262   29.599   50.694   23.620 9.568066 37.86784 
1 1 1  -15   16   19 o   79.481   28.330   10.027   7.3553 -27.0800   16.348   19.444   8.2359   56.472   28.125  107.877   28.894 -51.40476 40.32230 
1 1 1  -15   16   20 o   63.025   28.620  -0.0812   10.163   7.2190   14.811  -6.5780   13.972   79.870   35.545   64.209   30.568 15.66127 46.88153 
1 1 1  -15   16   21 o   57.830   24.318   2.8733   6.1846   6.4148   8.5417  -1.0292   8.9663   70.349   28.998   58.325   26.639 12.02351 39.37648 
1 1 1  -15   16   22 o  146.699   18.891   31.678   7.0116   36.920   10.153   26.898   9.6952  149.647   27.193  123.397   30.505 26.25080 40.86576 
1 1 1  -15   16   23 o  100.797   25.575   16.934   6.6883   18.910   9.6659   15.119   9.2642   98.985   32.561   89.457   31.804 9.527420 45.51640 
1 1 1  -15   16   24 o   50.349   23.355  -2.3006   7.2773  -3.1040   11.367  -1.7426   9.4732   59.519   28.109   56.973   26.501 2.546707 38.63248 
1 1 1  -15   16   25 o  160.610   22.246   40.894   9.0063   43.721   11.648   36.690   14.203  155.208   30.057  124.362   39.350 30.84673 49.51671 
1 1 1  -15   16   26 o  142.788   22.126   32.697   7.9189   35.169   11.513   30.477   10.910  131.342   33.679  121.586   33.547 9.756287 47.53590 
1 1 1  -15   16   27 o  121.951   25.619   25.910   7.8355   38.899   11.460   14.509   10.737  139.541   32.338   81.137   32.863 58.40414 46.10571 
1 1 1  -15   16   28 o   68.902   29.888   8.3273   9.8779   0.0000   0.0000   8.3273   9.8779  ?   ?    68.902   29.888 0.000000 29.88786 
1 1 1  -15   16   29 o   37.199   18.716 -18.1282   8.1507  -9.9299   9.7303 -37.4100   14.922   46.970   23.077   44.834   22.848 2.135799 32.47421 
1 1 1  -15   16   30 o   54.893   25.864  -0.2343   9.5209   16.410   19.649  -5.3412   10.884   74.344   35.626   52.394   25.449 21.95048 43.78168 
1 1 1  -15   16   31 o   51.231   23.735   0.4511   7.4827  -9.6837   10.770   9.9093   10.404   48.196   23.794   67.859   30.015 -19.66362 38.30236 
1 1 1  -15   16   32 o   37.111   18.628 -15.0081   7.8359 -11.3063   11.371 -18.3556   10.813   47.466   23.610   42.591   21.445 4.875099 31.89541 
1 1 1  -15   16   33 o  112.519   28.484   27.248   8.3098   28.061   11.847   26.460   11.659   92.276   35.379   89.817   34.917 2.458458 49.70771 
1 1 1  -15   17    1 f   47.886   20.514   0.4513   4.5422   1.8790   14.872   0.3045   4.7702   79.674   35.526   48.546   20.914 31.12791 41.22480 
1 1 1  -15   17    2 f   57.796   22.237   3.6273   4.6905 -20.9300   14.485   6.5039   4.9577   58.186   28.500   68.578   23.333 -10.39176 36.83261 
1 1 1  -15   17    3 o  103.785   21.231   15.603   5.5152   20.020   15.060   14.918   5.9269  108.318   40.244  100.479   23.236 7.838684 46.47050 
1 1 1  -15   17    4 o   46.316   20.504  -0.8114   4.8651   3.4340   15.212  -1.2951   5.1348   81.900   36.256   46.547   20.806 35.35307 41.80203 
1 1 1  -15   17    5 o   92.643   21.911   12.599   5.1756   5.4250   15.934   13.445   5.4723   85.348   37.471   95.499   22.493 -10.15056 43.70380 
1 1 1  -15   17    6 o   55.503   22.628   2.4511   5.1305 -13.1200   16.443   4.1305   5.4001   67.938   32.565   61.243   23.776 6.694946 40.32092 
1 1 1  -15   17    7 o   83.231   25.059   10.409   5.8459   35.330   17.691   7.3543   6.1938  135.114   44.032   72.789   25.992 62.32500 51.13142 
1 1 1  -15   17    8 o   74.238   34.898  -6.4970   17.155  -6.4970   17.155   0.0000   0.0000   74.238   34.898  ?   ?  0.000000 34.89753 
1 1 1  -15   17    9 o  263.909   21.015   99.420   14.247   0.0000   0.0000   99.420   14.247  ?   ?   263.909   21.015 0.000000 21.01537 
1 1 1  -15   17   10 o  122.549   35.043   25.891   11.683   73.230   19.134  -2.2490   14.752  206.937   37.057   73.008   33.649 133.9294 50.05444 
1 1 1  -15   17   11 o  138.326   32.131   31.569   11.292   49.540   17.750   19.350   14.636  161.958   41.969  103.723   39.428 58.23569 57.58441 
1 1 1  -15   17   12 o  119.777   34.527   24.964   11.300   23.300   17.930   26.060   14.554  108.824   43.003  116.832   39.976 -8.007843 58.71407 
1 1 1  -15   17   13 o   59.619   24.751   2.9199   6.2855 -17.4900   17.200   6.0656   6.7526   64.746   31.570   68.806   26.622 -4.060074 41.29684 
1 1 1  -15   17   14 o  162.059   17.721   37.119   7.3179   22.850   18.504   39.765   7.9674  106.136   43.088  166.980   18.744 -60.84340 46.98839 
1 1 1  -15   17   15 o  149.938   19.026   32.309   7.2230   29.940   17.999   32.763   7.8858  117.078   43.898  149.510   20.936 -32.43124 48.63473 
1 1 1  -15   17   16 o  174.987   16.521   42.986   7.4000   37.860   18.186   44.003   8.1010  130.132   44.682  175.776   18.048 -45.64389 48.18950 
1 1 1  -15   17   17 o  120.130   22.667   21.929   6.7949   31.470   16.777   20.057   7.4317  119.339   42.759  112.065   26.090 7.273727 50.09029 
1 1 1  -15   17   18 o  195.499   17.985   54.748   9.0054   14.340   17.921   68.398   10.416   90.672   39.775  217.889   18.634 -127.2177 43.92389 
1 1 1  -15   17   19 o   45.402   21.915  -8.6098   7.7531 -31.5400   17.058  -2.6394   8.7041   55.142   27.652   55.511   25.676 -0.3688011 37.73418 
1 1 1  -15   17   20 o  150.447   23.434   35.201   8.8349   23.380   18.615   38.638   10.038   99.048   41.948  154.955   25.923 -55.90778 49.31199 
1 1 1  -15   17   21 o  129.221   27.542   28.106   8.9372   11.660   17.659   33.769   10.362   83.613   37.873  139.519   29.590 -55.90583 48.06201 
1 1 1  -15   17   22 o  111.998   24.423   20.472   6.8857   18.598   9.6481   22.417   9.8301   97.468   32.552  107.683   32.512 -10.21494 46.00758 
1 1 1  -15   17   23 o  151.721   21.893   36.102   8.3549   42.330   13.333   32.075   10.721  143.925   35.887  129.934   32.052 13.99107 48.11682 
1 1 1  -15   17   24 o  101.612   29.377   19.447   8.1694   5.1676   10.239   44.460   13.551   66.649   29.613  145.442   36.132 -78.79297 46.71660 
1 1 1  -15   17   25 o   63.812   26.375   6.0140   7.0928   2.5943   10.064   9.3892   9.9980   61.910   28.255   72.422   30.711 -10.51218 41.73157 
1 1 1  -15   17   26 o  128.972   24.631   28.490   7.9287   40.498   11.590   17.926   10.871  142.107   32.227   87.375   33.786 54.73149 46.69113 
1 1 1  -15   17   27 o  117.658   26.972   25.448   8.0445   40.501   11.656   11.757   11.116  139.518   32.805   74.144   31.934 65.37320 45.78133 
1 1 1  -15   17   28 o   61.364   26.530   5.5477   7.7314   4.4459   11.115   6.5804   10.761   62.914   29.070   65.334   29.582 -2.419579 41.47494 
1 1 1  -15   17   29 o   51.817   25.558  -9.2600   12.325 -17.9900   18.085  -1.6890   16.842   55.268   27.816   61.680   30.316 -6.412319 41.14414 
1 1 1  -15   17   30 o   42.863   20.858  -6.3734   7.4016   5.4598   10.710 -17.1917   10.241   61.625   28.496   42.419   21.293 19.20588 35.57262 
1 1 1  -15   17   31 o   62.142   27.033   7.4658   8.1270   10.623   11.888   4.6957   11.136   66.503   30.485   59.662   28.068 6.841137 41.43894 
1 1 1  -15   17   32 o   79.127   30.136   16.477   8.5603   13.819   11.911   19.316   12.311   68.268   30.995   75.162   32.969 -6.893959 45.25063 
1 1 1  -15   18    1 o  186.529   13.311   46.994   6.3893   48.710   17.443   46.728   6.8666  163.605   41.188  185.346   14.416 -21.74194 43.63759 
1 1 1  -15   18    2 o  166.667   14.623   37.892   6.2493   37.510   17.350   37.948   6.6989  139.273   43.410  166.128   15.756 -26.85513 46.18042 
1 1 1  -15   18    3 o  204.527   14.224   56.815   7.4890   52.750   18.207   57.642   8.2163  169.546   41.737  205.077   15.584 -35.53072 44.55103 
1 1 1  -15   18    4 o  172.275   16.533   41.069   7.2870   41.080   18.129   41.067   7.9583  144.431   44.267  171.111   18.236 -26.68076 47.87634 
1 1 1  -15   18    5 o   40.658   19.163  -4.7362   5.2351 -36.5500   15.083  -0.3788   5.5821   50.796   25.544   50.078   22.076 0.7177849 33.76189 
1 1 1  -15   18    6 o  160.104   24.887   38.411   9.9860   0.0000   0.0000   38.411   9.9860  ?   ?   160.104   24.887 0.000000 24.88718 
1 1 1  -15   18    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   18    8 o  175.953   17.667   43.428   7.9432   15.350   17.618   50.592   8.8990   97.207   40.969  189.443   18.366 -92.23586 44.89725 
1 1 1  -15   18    9 o   79.705   24.857   9.6874   5.6881   19.630   16.713   8.3848   6.0493  102.906   41.238   75.134   25.772 27.77224 48.62871 
1 1 1  -15   18   10 o  233.855   13.233   74.175   7.9832   55.220   19.020   78.228   8.7955  167.127   43.510  239.320   14.253 -72.19312 45.78497 
1 1 1  -15   18   11 o   63.805   24.912   4.8997   5.9545 -22.9100   17.038   8.7688   6.3552   60.960   30.065   76.214   26.400 -15.25426 40.01049 
1 1 1  -15   18   12 o  174.652   28.901   48.828   12.617   69.380   20.257   35.800   16.128  188.920   42.431  132.435   41.936 56.48538 59.65796 
1 1 1  -15   18   13 o  224.767   23.440   75.828   13.446   55.140   20.255   92.130   17.979  158.676   46.367  238.494   29.751 -79.81767 55.09061 
1 1 1  -15   18   14 o   75.226   28.128   8.4541   7.3800   1.3800   16.620   10.192   8.2366   76.878   35.531   80.428   29.786 -3.549721 46.36449 
1 1 1  -15   18   15 o   53.095   23.415   0.2980   6.2862   10.040   15.615  -1.5861   6.8672   84.839   37.175   51.710   23.499 33.12934 43.97909 
1 1 1  -15   18   16 o   78.362   26.615   9.8188   6.4504   24.400   17.372   7.4871   6.9470  104.418   41.973   71.505   27.168 32.91330 49.99837 
1 1 1  -15   18   17 o  179.448   16.661   45.754   7.6562   34.360   18.820   48.014   8.3811  117.097   44.663  182.584   17.953 -65.48673 48.13638 
1 1 1  -15   18   18 o   53.696   24.782  -2.3082   8.0432  -2.1590   16.490  -2.3548   9.2136   70.918   33.601   56.922   26.360 13.99625 42.70692 
1 1 1  -15   18   19 o  191.621   18.738   53.908   9.1818   22.140   17.438   66.095   10.800   96.612   40.741  210.549   20.045 -113.9362 45.40543 
1 1 1  -15   18   20 o   73.269   26.857   8.8121   6.6680  -7.4710   16.973   11.784   7.2510   65.979   31.986   82.003   28.211 -16.02424 42.64944 
1 1 1  -15   18   21 o   57.251   24.621   2.7998   6.5882 -12.3300   17.323   5.3583   7.1235   62.595   30.762   63.927   26.428 -1.331303 40.55565 
1 1 1  -15   18   22 o   53.798   25.548  -4.3072   9.6404   0.0000   0.0000  -4.3072   9.6404  ?   ?    53.798   25.548 0.000000 25.54824 
1 1 1  -15   18   23 o   94.550   28.526   16.830   7.5695   17.675   9.5253   15.380   12.470   91.649   32.285   82.831   34.664 8.818153 47.36976 
1 1 1  -15   18   24 o   71.360   27.780   9.2330   7.3877   16.677   10.544   2.0545   10.354   85.886   33.257   61.179   28.194 24.70689 43.59948 
1 1 1  -15   18   25 o  156.343   30.309   47.076   11.831   0.0000   0.0000   47.076   11.831  ?   ?   156.343   30.309 0.000000 30.30914 
1 1 1  -15   18   26 o   79.818   29.019   13.221   7.7619   1.3077   11.006   25.008   10.948   59.629   28.005  101.055   34.670 -41.42577 44.56791 
1 1 1  -15   18   27 o   84.225   29.081   15.069   7.7087   20.291   10.715   9.4649   11.099   88.963   33.755   68.886   30.705 20.07639 45.63138 
1 1 1  -15   18   28 o   54.018   25.305   0.3945   8.8894   3.5442   10.305  -8.7650   17.573   59.682   27.721   58.176   29.004 1.506020 40.12094 
1 1 1  -15   18   29 o   47.817   23.284  -5.6934   9.2672  -4.9000   18.784  -5.9487   10.654   59.610   29.761   50.241   24.573 9.368370 38.59449 
1 1 1  -15   18   30 f   88.656   30.134   18.907   8.2692   27.547   11.936   10.934   11.467   93.246   35.568   66.515   30.280 26.73030 46.71178 
1 1 1  -15   18   31 o   41.719   20.529  -7.3772   7.7988  -5.4528   11.456  -9.0393   10.646   49.910   24.622   46.368   23.027 3.541855 33.71168 
1 1 1  -15   19    1 o   76.230   23.846   8.7264   5.2305 -26.0200   15.686   13.073   5.5480   56.828   28.175   92.924   23.138 -36.09565 36.45838 
1 1 1  -15   19    2 o   71.722   24.736   7.4747   5.5764   0.0000   0.0000   7.4747   5.5764  ?   ?    71.722   24.736 0.000000 24.73599 
1 1 1  -15   19    3 o   76.163   26.423   8.6430   6.3675   0.0000   0.0000   8.6430   6.3675  ?   ?    76.163   26.423 0.000000 26.42307 
1 1 1  -15   19    4 o  177.965   30.724   51.190   13.651   0.0000   0.0000   51.190   13.651  ?   ?   177.965   30.724 0.000000 30.72356 
1 1 1  -15   19    5 f  107.066   32.511   19.604   9.8092   4.3030   16.841   27.460   12.067   82.018   37.083  123.974   35.664 -41.95532 51.44984 
1 1 1  -15   19    6 o  174.091   41.989   58.270   18.715   58.270   18.715   0.0000   0.0000  174.091   41.989  ?   ?  0.000000 41.98852 
1 1 1  -15   19    7 o  188.753   14.567   48.953   7.0671   55.300   17.871   47.776   7.6943  170.344   40.996  185.220   16.200 -14.87611 44.08121 
1 1 1  -15   19    8 o   75.916   25.560   8.7756   5.9487 -18.9500   15.895   13.292   6.4149   60.621   29.726   91.653   25.883 -31.03139 39.41528 
1 1 1  -15   19    9 o  114.746   22.867   19.940   6.5581  -0.0256   16.249   23.826   7.1678   75.630   35.017  125.692   22.858 -50.06161 41.81714 
1 1 1  -15   19   10 o   71.557   24.970   7.6254   5.6906  -4.8180   16.075   9.4083   6.0846   70.687   33.397   77.793   25.846 -7.105698 42.23020 
1 1 1  -15   19   11 o   94.979   24.611   14.200   6.1042   31.250   17.335   11.786   6.5219  118.434   43.320   85.596   26.604 32.83782 50.83659 
1 1 1  -15   19   12 o   82.780   25.342   10.902   5.9433   8.0510   16.592   11.322   6.3657   83.262   37.296   83.879   26.318 -0.6165161 45.64727 
1 1 1  -15   19   13 o   67.070   27.628   5.2021   7.7469   6.6380   16.161   4.7737   8.8272   80.686   36.418   68.154   28.877 12.53281 46.47736 
1 1 1  -15   19   14 o   95.587   34.308   17.104   10.804   9.5410   15.882   23.620   14.741   83.153   36.917  105.082   39.659 -21.92895 54.18213 
1 1 1  -15   19   15 o   74.162   31.800   6.8533   10.934   9.1630   16.073   4.8640   14.917   82.073   36.740   76.128   34.610 5.945213 50.47469 
1 1 1  -15   19   16 o   51.157   23.664  -2.6166   7.3950   0.7041   16.319  -3.4748   8.2957   72.929   34.203   52.802   24.641 20.12722 42.15495 
1 1 1  -15   19   17 o  118.722   29.672   24.811   9.0995   29.870   17.592   22.962   10.632  107.806   42.597  108.337   34.017 -0.5306778 54.51323 
1 1 1  -15   19   18 o   93.334   30.760   16.259   8.6247   1.9410   17.445   20.891   9.9221   73.461   34.733  103.487   32.906 -30.02540 47.84550 
1 1 1  -15   19   19 o   46.770   21.814  -2.9637   6.4877 -19.1700   16.172   0.1447   7.0826   57.183   28.395   53.562   24.148 3.621239 37.27465 
1 1 1  -15   19   20 o   62.407   25.678   5.2012   6.6826 -18.4500   16.565   9.7983   7.3033   57.514   28.590   74.692   27.971 -17.17844 39.99672 
1 1 1  -15   19   21 o   66.399   28.529   6.1604   8.8317   0.0000   0.0000   6.1604   8.8317  ?   ?    66.399   28.529 0.000000 28.52909 
1 1 1  -15   19   22 o   64.686   27.309   6.1758   7.8491  -6.0790   16.663   9.6703   8.8982   62.768   30.706   72.468   29.702 -9.699944 42.72104 
1 1 1  -15   19   23 o   98.309   27.063   17.989   7.1097   41.630   18.256   13.763   7.7190  109.348   43.335   82.767   29.071 26.58102 52.18273 
1 1 1  -15   19   24 o   61.089   27.178   4.5377   8.6522 -19.3700   17.313   12.496   9.9890   55.220   27.714   75.663   31.289 -20.44272 41.79774 
1 1 1  -15   19   25 o   68.427   26.915   8.8938   6.9935   8.0990   9.4327   9.8639   10.422   66.756   29.081   69.780   30.478 -3.024132 42.12601 
1 1 1  -15   19   26 o   63.798   26.761   7.2702   7.4591   19.059   10.368  -5.3789   10.739   86.100   33.076   51.818   25.195 34.28217 41.57899 
1 1 1  -15   19   27 o   86.147   29.469   16.624   7.9090   15.036   11.119   18.251   11.252   75.351   32.183   80.772   33.287 -5.421455 46.30058 
1 1 1  -15   19   28 o   65.712   30.906   9.5623   13.485   23.860   20.428  -1.4790   17.952   74.087   35.713   60.014   29.821 14.07265 46.52616 
1 1 1  -15   19   29 o   87.767   29.921   18.695   8.1529   9.9839   11.754   26.772   11.318   64.625   29.872   93.204   34.837 -28.57899 45.89075 
1 1 1  -15   19   30 o   56.817   25.445   5.6731   7.7192   11.742   11.739   1.0496   10.246   64.767   29.908   53.170   25.544 11.59696 39.33215 
1 1 1  -15   20    1 o   45.077   20.724  -2.6440   5.5495 -38.0400   16.416   1.9231   5.8967   52.312   26.350   55.688   23.599 -3.375553 35.37289 
1 1 1  -15   20    2 o   70.248   29.029   5.5494   8.5892  -6.8380   16.414   10.220   10.079   69.882   33.230   82.053   32.300 -12.17118 46.34144 
1 1 1  -15   20    3 o   43.992   21.221  -8.6650   7.2445   8.8240   14.890 -14.0886   8.2920   83.882   36.540   42.925   21.132 40.95710 42.21021 
1 1 1  -15   20    4 o   54.815   23.811   1.0003   6.2875   7.4540   15.060  -0.3620   6.9194   82.097   36.222   54.287   24.217 27.81058 43.57228 
1 1 1  -15   20    5 o   54.416   22.805   2.1183   5.4087   15.400   16.279   0.4701   5.7345   93.448   39.383   51.713   22.597 41.73480 45.40543 
1 1 1  -15   20    6 o   96.281   24.311   14.519   6.0643 -13.8500   16.551   18.918   6.5176   64.542   31.357  110.973   23.410 -46.43077 39.13192 
1 1 1  -15   20    7 o   96.623   24.315   14.656   6.0806   13.810   16.695   14.785   6.5291   90.714   39.102   96.108   25.720 -5.394516 46.80255 
1 1 1  -15   20    8 o   70.865   24.982   7.5296   5.7041  -1.2670   15.725   8.8623   6.1210   72.518   33.870   75.508   25.923 -2.990211 42.65173 
1 1 1  -15   20    9 o   57.462   23.996   2.8058   5.9577 -10.3600   15.816   4.9828   6.4315   64.947   31.337   64.105   25.620 0.8414383 40.47657 
1 1 1  -15   20   10 o  106.141   23.139   17.477   6.1824   2.2300   15.839   20.217   6.7150   75.369   34.782  114.103   23.502 -38.73367 41.97796 
1 1 1  -15   20   11 o   83.553   25.634   11.330   6.0771  -3.9980   15.647   14.053   6.5949   68.976   32.696   92.469   26.289 -23.49346 41.95389 
1 1 1  -15   20   12 o   99.072   23.530   15.503   5.9485   23.940   15.102   13.953   6.4717  104.111   39.937   92.061   25.997 12.05000 47.65329 
1 1 1  -15   20   13 o  109.198   22.991   18.673   6.2977   4.9570   15.881   21.233   6.8601   76.631   35.167  116.102   23.615 -39.47074 42.36050 
1 1 1  -15   20   14 o   57.499   24.349   2.8501   6.2703   9.9730   16.066   1.5702   6.8104   81.484   36.586   56.233   24.597 25.25078 44.08568 
1 1 1  -15   20   15 o   98.516   31.720   18.311   9.1980   42.050   17.466   9.2003   10.820  129.294   43.795   76.440   32.156 52.85300 54.33247 
1 1 1  -15   20   16 o   62.792   29.191  -0.5803   11.467 -22.3900   16.185   21.400   16.248   55.996   27.903   94.086   39.483 -38.09065 48.34764 
1 1 1  -15   20   17 o   69.798   31.158   5.5326   11.474   5.0770   16.482   5.9610   15.982   73.956   34.586   74.394   34.544 -0.4386063 48.88237 
1 1 1  -15   20   18 o   71.640   28.980   8.5634   8.3390   7.6280   16.902   8.8644   9.5872   75.384   35.177   72.824   30.428 2.560402 46.51086 
1 1 1  -15   20   19 o   67.046   27.183   7.1189   7.3545  -9.1610   18.347   10.236   8.0277   63.875   31.443   74.766   28.999 -10.89060 42.77432 
1 1 1  -15   20   20 o   47.347   22.930  -7.4117   8.6666   0.0000   0.0000  -7.4117   8.6666  ?   ?    47.347   22.930 0.000000 22.92972 
1 1 1  -15   20   21 o   80.538   27.984   12.604   7.1435   23.660   18.056   10.552   7.7781   86.203   38.739   73.967   28.585 12.23525 48.14397 
1 1 1  -15   20   22 o   67.081   26.986   8.0405   7.1871   14.600   17.790   6.7610   7.8569   75.922   35.640   64.472   27.276 11.45012 44.87994 
1 1 1  -15   20   23 o   67.439   27.102   8.4969   7.2410 -16.6700   16.870   14.180   8.0171   55.133   27.626   81.312   29.503 -26.17848 40.41761 
1 1 1  -15   20   24 o   55.163   24.582   3.0102   7.1088   1.5880   17.462   3.2927   7.7829   64.014   31.341   56.677   25.455 7.337231 40.37577 
1 1 1  -15   20   25 o  110.869   25.633   23.021   7.2142   8.3130   19.004   25.498   7.7980   67.303   32.897  115.426   26.624 -48.12283 42.32077 
1 1 1  -15   20   26 o   59.684   27.155   5.2037   9.2051   20.030   19.165   0.7574   10.495   73.068   35.059   55.715   26.516 17.35334 43.95716 
1 1 1  -15   20   27 f   61.942   29.414   6.6101   12.774 -13.8100   19.460   22.070   16.933   55.345   27.977   74.230   34.822 -18.88541 44.66842 
1 1 1  -15   20   28 o   59.124   26.140   6.6034   7.8829  -8.8928   11.554   20.099   10.782   48.088   23.899   80.021   32.735 -31.93283 40.53075 
1 1 1  -15   20   29 o   53.200   24.354   3.7957   7.5506   3.0081   10.807   4.5468   10.554   54.897   26.337   56.224   26.709 -1.326897 37.51012 
1 1 1  -15   20   30 o   58.458   28.270   8.4381   13.054   44.540   20.999 -14.3000   16.665   75.214   36.244   49.174   24.969 26.04036 44.01218 
1 1 1  -15   21    1 o   89.022   38.024   13.530   15.523   13.530   15.523   0.0000   0.0000   89.022   38.024  ?   ?  0.000000 38.02410 
1 1 1  -15   21    2 o   80.209   28.462   10.413   7.4158   23.030   15.848   6.8760   8.3911  103.783   40.608   71.819   29.065 31.96394 49.93782 
1 1 1  -15   21    3 o   63.615   24.316   5.3937   5.5859   13.260   14.859   4.0990   6.0281   88.123   37.409   60.840   24.630 27.28238 44.78899 
1 1 1  -15   21    4 o  163.785   17.536   38.388   7.3241   24.580   16.222   41.923   8.2084  105.617   41.151  169.884   18.977 -64.26697 45.31636 
1 1 1  -15   21    5 o   70.109   25.203   7.3969   5.8329   12.130   14.886   6.5384   6.3398   86.044   37.006   67.982   25.924 18.06236 45.18317 
1 1 1  -15   21    6 o  121.691   20.405   22.102   6.2043   18.000   16.104   22.817   6.7233   94.352   39.431  122.402   22.015 -28.05003 45.15995 
1 1 1  -15   21    7 o   82.023   25.772   10.955   6.1019   19.630   14.840   9.1903   6.6939   97.018   38.866   75.884   27.029 21.13428 47.34029 
1 1 1  -15   21    8 o   54.176   23.417   1.5086   6.0206  -8.3780   14.771   3.4782   6.5931   63.476   30.540   60.150   25.191 3.326164 39.58911 
1 1 1  -15   21    9 o   80.708   25.622   10.669   6.0176   12.600   16.295   10.365   6.4753   85.602   37.728   79.282   26.667 6.319557 46.20118 
1 1 1  -15   21   10 o   86.822   26.308   12.622   6.4281  -5.7230   15.775   16.275   7.0390   66.615   31.921   98.245   26.880 -31.63083 41.73159 
1 1 1  -15   21   11 o  182.768   16.116   47.612   7.5517   37.800   17.795   49.768   8.3399  121.202   43.957  185.306   17.586 -64.10403 47.34463 
1 1 1  -15   21   12 o   91.223   25.382   13.899   6.2168   23.860   15.845   12.087   6.7588   99.519   40.056   83.789   27.212 15.72937 48.42503 
1 1 1  -15   21   13 o   81.391   26.833   11.411   6.5626   22.490   16.606   9.3602   7.1442   95.455   39.979   74.702   27.725 20.75314 48.65200 
1 1 1  -15   21   14 o   57.530   24.220   3.3556   6.1463  -5.1950   15.383   4.9800   6.7048   64.504   31.067   62.460   25.712 2.043217 40.32752 
1 1 1  -15   21   15 o   57.202   25.875   0.8397   8.2106  -3.6110   16.487   2.3077   9.4683   66.444   32.043   61.948   27.926 4.495972 42.50388 
1 1 1  -15   21   16 o   46.133   23.072 -20.5543   11.512 -37.5600   16.276  -3.5290   16.286   48.937   24.831   65.473   31.641 -16.53629 40.22118 
1 1 1  -15   21   17 o   49.488   23.620  -4.9718   8.4544  -1.5980   15.896  -6.3026   9.9835   65.549   31.574   52.026   25.050 13.52320 40.30392 
1 1 1  -15   21   18 o   73.211   34.230   8.8430   16.130   0.0000   0.0000   8.8430   16.130  ?   ?    73.211   34.230 0.000000 34.22983 
1 1 1  -15   21   19 o   83.540   38.337   22.060   18.870   22.060   18.870   0.0000   0.0000   83.540   38.337  ?   ?  0.000000 38.33691 
1 1 1  -15   21   20 o   84.859   31.023   15.897   8.8886   36.990   18.686   9.7286   10.105   98.297   41.845   70.552   30.416 27.74505 51.73186 
1 1 1  -15   21   21 o   59.504   25.728   4.9209   7.2725   16.090   18.388   2.8498   7.9181   75.264   35.609   56.704   25.552 18.56028 43.82758 
1 1 1  -15   21   22 o   52.818   24.006   1.5828   7.1709   4.4720   18.468   1.0698   7.7815   66.088   32.330   53.206   24.491 12.88150 40.55878 
1 1 1  -15   21   23 o   53.787   24.408   2.2681   7.3748 -12.9300   18.611   5.0992   8.0324   56.934   28.596   59.339   26.303 -2.404755 38.85323 
1 1 1  -15   21   24 o   62.117   26.153   7.1506   7.1669 -12.9100   18.874   10.530   7.7471   56.334   28.361   69.490   27.995 -13.15615 39.85057 
1 1 1  -15   21   25 o   60.027   26.251   6.4191   7.7531 -26.3900   19.277   12.751   8.4682   51.522   26.229   72.509   29.249 -20.98682 39.28696 
1 1 1  -15   21   26 o   49.750   24.044  -2.3735   9.4080 -15.1000   19.381   1.5495   10.761   54.027   27.379   55.120   26.400 -1.092815 38.03432 
1 1 1  -15   21   27 o   44.229   21.799  -7.0304   8.9096   9.7440   19.471 -11.4729   10.020   62.005   30.850   43.452   21.700 18.55340 37.71802 
1 1 1  -15   21   28 o   85.006   32.208   22.557   9.7463   7.1130   19.129   27.972   11.327   58.946   29.519   88.954   34.462 -30.00821 45.37621 
1 1 1  -15   21   29 o   54.213   26.571   3.9112   12.653   28.230   20.292 -11.5600   16.185   65.431   32.370   49.057   24.877 16.37439 40.82502 
1 1 1  -15   22    1 o  102.190   30.490   18.701   8.6833   27.720   15.719   14.740   10.417  109.092   40.999   88.950   33.387 20.14274 52.87366 
1 1 1  -15   22    2 o   89.337   23.860   12.822   5.6257   20.210   16.274   11.819   5.9953   95.666   39.780   84.803   25.343 10.86291 47.16636 
1 1 1  -15   22    3 o   57.490   23.646   3.4230   5.6642   19.460   16.082   1.1519   6.0520   94.422   39.427   53.279   23.249 41.14354 45.77160 
1 1 1  -15   22    4 f   33.691   16.618  -9.6448   5.2117   2.8240   14.321 -11.5483   5.5954   72.178   33.224   33.693   16.726 38.48489 37.19677 
1 1 1  -15   22    5 o   98.406   24.592   15.752   6.2509 -18.6400   15.142   22.817   6.8630   56.778   28.065  120.864   22.756 -64.08652 36.13184 
1 1 1  -15   22    6 o   89.616   25.261   13.316   6.1161   8.4780   14.852   14.304   6.7116   78.594   35.240   91.801   26.652 -13.20777 44.18335 
1 1 1  -15   22    7 o   46.602   21.139  -1.1425   5.5251   21.410   14.389  -5.0427   5.9838   97.322   38.503   42.304   20.101 55.01748 43.43400 
1 1 1  -15   22    8 o   57.897   24.132   3.4541   6.0097   10.530   14.766   2.0493   6.5793   80.248   35.613   56.175   24.380 24.07251 43.15851 
1 1 1  -15   22    9 o  107.545   23.108   18.508   6.2455   27.630   16.603   17.004   6.7407  103.377   41.213  100.460   25.776 2.916412 48.60948 
1 1 1  -15   22   10 o   47.950   21.802  -1.0195   5.9208   14.560   15.857  -3.5437   6.3825   84.314   37.186   45.614   21.392 38.70006 42.89990 
1 1 1  -15   22   11 o   71.918   25.884   8.6161   6.1540   16.650   17.104   7.4215   6.5956   85.846   38.202   68.459   26.361 17.38638 46.41414 
1 1 1  -15   22   12 o   67.215   25.962   7.1373   6.4136   7.0960   17.050   7.1442   6.9220   75.269   35.192   67.580   26.715 7.689087 44.18359 
1 1 1  -15   22   13 o   62.454   25.431   5.4617   6.4703  -5.0760   16.043   7.5089   7.0709   64.087   31.075   68.189   26.986 -4.102165 41.15760 
1 1 1  -15   22   14 o   62.773   27.344   4.5915   8.3378   28.390   16.015  -4.2576   9.7657   99.287   40.163   53.580   25.521 45.70735 47.58567 
1 1 1  -15   22   15 o   47.140   22.441  -4.4800   7.5284  -8.9750   16.247  -3.2510   8.4954   60.555   29.766   51.239   24.230 9.315979 38.38128 
1 1 1  -15   22   16 o   52.863   24.037   0.5881   7.1990   0.0000   0.0000   0.5881   7.1990  ?   ?    52.863   24.037 0.000000 24.03716 
1 1 1  -15   22   17 o   48.354   23.028  -3.8722   7.9426   0.0000   0.0000  -3.8722   7.9426  ?   ?    48.354   23.028 0.000000 23.02791 
1 1 1  -15   22   18 o   72.781   28.347   10.601   7.6951   22.890   17.845   7.7942   8.5288   82.570   37.661   66.403   28.269 16.16669 47.09045 
1 1 1  -15   22   19 o   78.737   30.985   14.332   9.2722   45.230   18.896   4.5321   10.641  105.098   43.203   62.062   28.594 43.03619 51.80878 
1 1 1  -15   22   20 o   64.716   30.184   6.5582   12.420   19.610   17.947  -5.4380   17.206   76.235   35.791   59.594   29.540 16.64145 46.40662 
1 1 1  -15   22   21 o   41.406   21.024 -27.0369   11.815 -20.6200   17.380 -32.5500   16.109   52.569   26.557   46.952   23.909 5.616787 35.73447 
1 1 1  -15   22   22 o   54.568   25.492   1.6491   8.9170   16.870   18.316  -3.0793   10.209   71.052   34.140   51.637   24.978 19.41481 42.30158 
1 1 1  -15   22   23 o   54.676   24.672   3.5450   7.4124   10.840   18.714   2.1875   8.0727   65.841   32.279   53.499   24.739 12.34208 40.66893 
1 1 1  -15   22   24 o   38.016   18.894 -10.4205   7.2227   0.0606   18.460 -12.3149   7.8483   59.169   29.535   38.445   19.201 20.72435 35.22760 
1 1 1  -15   22   25 o   42.704   20.744  -4.5891   7.2346   20.420   19.140  -8.7580   7.8144   67.873   33.141   40.516   20.052 27.35708 38.73478 
1 1 1  -15   22   26 o   56.292   25.461   5.8660   7.9476   9.4770   19.388   5.1367   8.7134   60.456   30.191   55.559   25.695 4.896648 39.64539 
1 1 1  -15   22   27 o   51.848   23.852   3.8981   7.3662   27.200   17.467  -1.1425   8.1239   68.839   33.143   46.606   22.480 22.23300 40.04736 
1 1 1  -15   23    1 o  120.688   24.243   23.640   7.3158   19.903   9.6590   28.670   11.204  100.836   32.509  119.956   34.323 -19.11951 47.27476 
1 1 1  -15   23    2 o   67.530   27.370   6.6033   7.4536   7.2610   14.723   6.3767   8.6430   75.491   34.345   68.397   28.754 7.094688 44.79299 
1 1 1  -15   23    3 o   45.261   20.824  -1.9230   5.6171 -16.1300   14.382   0.6343   6.1017   55.712   27.503   51.646   22.908 4.065392 35.79397 
1 1 1  -15   23    4 o   68.295   24.687   7.4407   5.6061 -11.2000   14.152   10.910   6.1056   58.247   28.453   79.870   25.857 -21.62273 38.44688 
1 1 1  -15   23    5 o   55.470   23.291   3.0136   5.6591 -12.1100   14.692   5.6482   6.1322   58.473   28.653   63.216   25.096 -4.743053 38.08949 
1 1 1  -15   23    6 o  122.690   21.397   23.548   6.5527   24.300   15.500   23.385   7.2306   97.343   39.464  119.424   24.203 -22.08051 46.29498 
1 1 1  -15   23    7 o   83.585   26.362   12.271   6.3783   16.470   15.294   11.387   7.0177   85.316   37.099   79.697   27.734 5.618622 46.31958 
1 1 1  -15   23    8 o   64.957   25.126   6.5017   6.0139 -13.7600   14.612   10.634   6.5987   56.650   27.920   77.504   26.898 -20.85346 38.76900 
1 1 1  -15   23    9 o   47.080   21.652  -1.4868   6.0642   9.7490   16.006  -3.3698   6.5527   76.298   35.122   45.913   21.578 30.38450 41.22095 
1 1 1  -15   23   10 o   96.307   25.640   16.238   6.5097   11.000   16.822   17.160   7.0597   77.056   35.660   97.538   27.015 -20.48203 44.73780 
1 1 1  -15   23   11 o  110.733   24.523   20.867   6.8486   14.470   17.757   21.984   7.4230   79.530   36.746  111.876   26.094 -32.34541 45.06835 
1 1 1  -15   23   12 o   45.671   21.359  -2.5219   6.2867 -15.7400   16.493  -0.2749   6.8001   57.048   28.385   50.680   23.167 6.367214 36.63931 
1 1 1  -15   23   13 o   52.940   24.549  -0.6270   8.0309  -1.2350   16.238  -0.4301   9.2401   64.491   31.269   55.753   26.014 8.737358 40.67558 
1 1 1  -15   23   14 o   39.467   19.635 -13.5215   7.8812   0.0000   0.0000 -13.5215   7.8812  ?   ?    39.467   19.635 0.000000 19.63486 
1 1 1  -15   23   15 o   61.654   27.470   4.9124   8.8728   0.0000   0.0000   4.9124   8.8728  ?   ?    61.654   27.470 0.000000 27.46955 
1 1 1  -15   23   16 o  135.021   25.022   32.455   8.4292  -0.4393   18.160   41.488   9.5164   64.041   31.477  153.214   24.828 -89.17265 40.09085 
1 1 1  -15   23   17 o   91.049   28.170   17.046   7.3218   15.850   18.433   17.270   7.9782   73.469   35.014   89.103   29.595 -15.63477 45.84594 
1 1 1  -15   23   18 f  103.778   27.033   21.150   7.3396   23.670   17.891   20.639   8.0480   78.795   36.574   98.190   29.366 -19.39460 46.90503 
1 1 1  -15   23   19 o   69.224   27.248   10.100   7.1724   43.210   17.643   3.5453   7.8504  100.027   41.492   56.046   25.331 43.98082 48.61330 
1 1 1  -15   23   20 o   80.099   28.937   14.861   7.7005 -31.8700   18.426   24.749   8.4761   49.361   25.175  106.290   29.660 -56.92906 38.90351 
1 1 1  -15   23   21 o  106.357   33.496   29.387   10.301   31.050   18.928   28.688   12.278   78.921   36.957   93.659   35.991 -14.73776 51.58646 
1 1 1  -15   23   22 o   65.471   30.547   11.568   12.739   13.630   18.367   9.6560   17.684   65.648   32.141   63.449   31.161 2.198765 44.76716 
1 1 1  -15   23   23 o   60.049   28.560   7.2405   12.137   8.1990   18.349   6.4950   16.182   61.368   30.434   60.215   29.620 1.152920 42.46884 
1 1 1  -15   23   24 o   44.144   21.613  -4.9971   8.3061 -25.8000   17.905   0.7071   9.3760   47.827   24.429   51.075   24.511 -3.248028 34.60573 
1 1 1  -15   23   25 o   49.781   24.532  -2.2224   11.270  -1.0850   17.586  -3.0150   14.681   54.367   27.371   52.080   26.048 2.287586 37.78454 
1 1 1  -15   23   26 o   63.013   26.865   11.002   7.7226   14.080   16.751   10.172   8.7026   59.424   29.400   60.262   27.001 -0.8381233 39.91764 
1 1 1  -15   24    1 o  191.335   15.263   52.713   7.5017   54.994   10.759   50.554   10.465  184.382   23.029  175.994   23.546 8.387787 32.93570 
1 1 1  -15   24    2 o  162.021   16.621   38.580   6.8768   29.070   9.4484   49.292   10.028  125.125   29.612  174.965   22.659 -49.83942 37.28710 
1 1 1  -15   24    3 f   70.602   27.888   8.5862   7.5376   18.850   15.366   5.3338   8.6498   86.176   37.329   64.577   27.990 21.59834 46.65701 
1 1 1  -15   24    4 o   44.393   20.353  -1.3275   5.3017  -8.9730   13.967  -0.0405   5.7306   57.745   28.220   48.263   21.744 9.481743 35.62539 
1 1 1  -15   24    5 o   60.601   24.449   5.2491   5.9180   0.8826   14.315   6.1492   6.4994   65.560   31.133   63.597   25.635 1.962872 40.32906 
1 1 1  -15   24    6 o   55.627   23.476   3.4271   5.7973  -2.5690   14.543   4.5600   6.3213   62.725   30.210   59.278   24.733 3.446487 39.04277 
1 1 1  -15   24    7 o   69.905   25.872   8.5863   6.2125   15.750   15.754   7.2673   6.7603   80.227   36.107   66.222   26.330 14.00517 44.68779 
1 1 1  -15   24    8 o   81.590   26.969   12.516   6.6282   11.380   16.499   12.735   7.2379   75.011   34.920   81.004   28.167 -5.992554 44.86400 
1 1 1  -15   24    9 o   90.609   26.319   15.180   6.5435 -11.3900   16.430   20.189   7.1337   58.464   28.960  105.621   26.201 -47.15617 39.05298 
1 1 1  -15   24   10 o   63.599   25.753   6.6402   6.5922   8.0780   17.494   6.4022   7.1168   71.065   33.935   63.376   26.326 7.689339 42.94920 
1 1 1  -15   24   11 o   57.225   25.759   2.7820   8.0213 -15.0400   16.541   8.2619   9.1720   55.939   27.928   67.674   29.075 -11.73540 40.31536 
1 1 1  -15   24   12 o   62.970   28.441   5.3980   9.8768   0.0000   0.0000   5.3980   9.8768  ?   ?    62.970   28.441 0.000000 28.44139 
1 1 1  -15   24   13 o   62.097   29.058   3.9000   11.668   0.0000   0.0000   3.9000   11.668  ?   ?    62.097   29.058 0.000000 29.05844 
1 1 1  -15   24   14 o   63.701   26.881   7.2850   7.5997   3.3170   16.181   8.4079   8.6082   64.001   31.074   66.086   28.274 -2.085541 42.01168 
1 1 1  -15   24   15 o   46.211   21.732  -1.7525   6.6644   2.1190   16.875  -2.4679   7.2540   62.813   30.765   46.829   22.216 15.98389 37.94772 
1 1 1  -15   24   16 o   75.081   27.988   12.379   7.2957   5.5000   17.757   13.776   8.0024   64.300   31.507   77.220   29.202 -12.92041 42.95885 
1 1 1  -15   24   17 o   43.535   20.931  -3.9873   6.9088 -15.5400   17.467  -1.8449   7.5222   53.561   27.005   47.563   22.582 5.997883 35.20251 
1 1 1  -15   24   18 o   71.123   27.750   11.527   7.3846   11.550   18.006   11.523   8.0969   65.940   32.185   69.957   28.463 -4.017143 42.96571 
1 1 1  -15   24   19 o   64.474   26.662   9.0045   7.2531   25.580   16.923   5.2744   8.0279   75.775   35.305   57.348   25.796 18.42670 43.72525 
1 1 1  -15   24   20 o   79.833   28.736   15.599   7.5849   25.220   17.116   13.247   8.4610   73.629   34.688   71.378   29.075 2.250610 45.26143 
1 1 1  -15   24   21 o   55.684   25.049   5.2304   7.5719 -13.0900   17.978   9.1809   8.3484   52.192   26.440   62.466   27.281 -10.27433 37.99137 
1 1 1  -15   24   22 o   51.026   23.786   2.5278   7.6953 -21.6900   18.204   7.7969   8.4913   48.969   24.980   59.099   26.562 -10.12986 36.46228 
1 1 1  -15   24   23 o   54.500   25.578   5.1122   9.1524 -10.8300   17.205   11.404   10.809   50.529   25.627   61.722   28.571 -11.19239 38.38015 
1 1 1  -15   24   24 o   46.576   22.736  -1.6834   8.9910   32.670   17.203 -14.5939   10.546   70.758   33.750   40.974   20.698 29.78405 39.59189 
1 1 1  -15   24   25 o   45.965   23.040  -6.0670   11.786  -4.8250   16.019  -7.5330   17.403   49.528   25.076   49.326   25.092 0.2020454 35.47422 
1 1 1  -15   25    1 o   80.913   26.622   12.425   6.4611   16.184   9.2624   8.8619   9.0173   85.336   31.590   69.363   29.276 15.97301 43.06969 
1 1 1  -15   25    2 o   56.467   24.208   3.7363   6.3334   3.8422   9.3444   3.6464   8.6138   61.110   27.627   59.848   26.836 1.261570 38.51503 
1 1 1  -15   25    3 o  172.570   19.584   46.884   8.5993   43.570   16.825   48.055   10.005  115.910   42.635  168.468   23.572 -52.55743 48.71744 
1 1 1  -15   25    4 o   89.827   25.632   14.883   6.2574   6.6190   15.751   16.432   6.8185   68.760   32.655   93.088   26.817 -24.32793 42.25463 
1 1 1  -15   25    5 o   82.432   26.294   12.945   6.3317  -4.0900   14.606   16.886   7.0262   59.545   29.047   93.538   27.302 -33.99237 39.86396 
1 1 1  -15   25    6 o  125.262   20.777   25.540   6.5053   17.960   15.366   27.195   7.1805   79.053   35.611  126.932   22.671 -47.87817 42.21549 
1 1 1  -15   25    7 o   56.003   24.213   3.7604   6.4407 -13.8700   14.714   7.9392   7.1635   53.457   26.633   66.007   26.805 -12.55008 37.78650 
1 1 1  -15   25    8 o   44.506   20.967  -2.5254   6.2541 -13.9900   15.976  -0.4504   6.7965   54.817   27.380   49.047   22.687 5.769508 35.55791 
1 1 1  -15   25    9 o   77.848   28.270   12.792   7.3632   0.0000   0.0000   12.792   7.3632  ?   ?    77.848   28.270 0.000000 28.26961 
1 1 1  -15   25   10 o   68.487   30.969   10.070   11.750   0.0000   0.0000   10.070   11.750  ?   ?    68.487   30.969 0.000000 30.96934 
1 1 1  -15   25   11 o   73.767   32.787   14.840   12.561   0.0000   0.0000   14.840   12.561  ?   ?    73.767   32.787 0.000000 32.78674 
1 1 1  -15   25   12 o   64.918   26.411   8.2803   6.9704   36.290   16.792   2.4493   7.6617   93.536   39.739   54.129   24.684 39.40664 46.78181 
1 1 1  -15   25   13 o   43.760   20.947  -3.4988   6.7520  -8.1770   16.908  -2.6113   7.3647   56.273   28.116   46.401   22.119 9.871868 35.77390 
1 1 1  -15   25   14 o   50.187   23.104   1.1598   6.9274 -13.5800   16.522   4.3036   7.6305   53.062   26.691   56.242   25.236 -3.179756 36.73211 
1 1 1  -15   25   15 o   38.642   19.050  -8.3104   6.8158   10.340   17.222 -11.7742   7.4218   64.835   31.608   37.753   18.826 27.08149 36.79015 
1 1 1  -15   25   16 o   79.844   27.751   14.612   7.0251   15.180   17.843   14.508   7.6424   66.814   32.484   77.334   28.681 -10.52041 43.33340 
1 1 1  -15   25   17 o   51.147   23.519   2.2732   7.1512  -3.7670   17.767   3.4410   7.8120   56.283   28.223   53.709   24.654 2.574574 37.47517 
1 1 1  -15   25   18 o   53.290   24.110   3.9378   7.1318  -4.2770   17.548   5.5631   7.8056   55.213   27.736   56.425   25.403 -1.211777 37.61152 
1 1 1  -15   25   19 o   53.171   24.094   4.1945   7.1553   25.280   17.394  -0.1005   7.8503   70.278   33.635   48.154   22.922 22.12364 40.70311 
1 1 1  -15   25   20 o   36.918   18.396  -9.7933   7.0292  -0.8651   16.148 -11.8807   7.8078   54.202   27.140   37.550   18.812 16.65203 33.02225 
1 1 1  -15   25   21 o   61.861   26.615   10.013   7.7057   10.540   17.460   9.8855   8.5872   58.491   29.120   60.707   27.038 -2.216442 39.73671 
1 1 1  -15   25   22 o   59.686   25.914   9.3267   7.4397   27.770   17.759   5.4010   8.1933   65.817   32.090   53.117   24.687 12.70065 40.48723 
1 1 1  -15   25   23 o   42.477   21.027  -4.9554   8.6122   16.120   17.624 -11.5661   9.8709   57.781   28.845   40.524   20.415 17.25696 35.33847 
1 1 1  -15   25   24 o   43.992   22.653 -32.2900   19.981 -32.2900   19.981   0.0000   0.0000   43.992   22.653  ?   ?  0.000000 22.65337 
1 1 1  -15   26    1 f  120.039   23.102   25.135   6.9226   29.473   10.115   21.314   9.4940  113.402   32.661   93.880   32.282 19.52215 45.92212 
1 1 1  -15   26    2 o  153.065   19.227   37.633   7.4551   26.511   10.593   48.547   10.494  102.338   34.108  162.517   25.789 -60.17834 42.75970 
1 1 1  -15   26    3 o   47.405   21.963  -0.5123   6.4070   5.3985   8.9465  -6.7352   9.1796   60.672   27.267   47.185   23.020 13.48782 35.68462 
1 1 1  -15   26    4 o   47.200   22.426  -2.5493   7.4453   13.720   14.934  -7.9308   8.5889   71.263   33.191   44.699   21.905 26.56409 39.76715 
1 1 1  -15   26    5 o   50.045   22.532   1.5679   6.1423   18.260   14.897  -1.8513   6.7421   75.600   34.454   46.178   21.760 29.42150 40.74984 
1 1 1  -15   26    6 o  133.717   22.806   31.273   7.6159   0.0000   0.0000   31.273   7.6159  ?   ?   133.717   22.806 0.000000 22.80600 
1 1 1  -15   26    7 o   49.370   23.460  -1.6855   8.1540   0.0000   0.0000  -1.6855   8.1540  ?   ?    49.370   23.460 0.000000 23.46042 
1 1 1  -15   26    8 o  114.651   33.842   32.698   10.742   1.6720   18.958   47.370   13.037   62.015   30.786  135.618   36.365 -73.60316 47.64618 
1 1 1  -15   26    9 o   79.634   32.362   18.040   10.450  -4.7520   15.975   35.090   13.817   56.639   28.141  100.543   38.288 -43.90398 47.51701 
1 1 1  -15   26   10 o   61.565   27.090   7.3608   8.3694   4.1440   17.086   8.3763   9.6000   61.523   30.297   63.265   28.352 -1.742378 41.49355 
1 1 1  -15   26   11 o   70.799   27.476   11.474   7.2096   54.530   18.145   3.4018   7.8565  107.659   43.030   54.461   24.898 53.19873 49.71380 
1 1 1  -15   26   12 o   41.504   20.096  -4.5841   6.6488   9.5800   16.936  -7.1649   7.2292   63.376   30.994   40.605   19.938 22.77191 36.85309 
1 1 1  -15   26   13 o   54.172   24.209   4.2488   6.9470   11.440   17.601   2.9218   7.5609   63.691   31.241   52.686   24.211 11.00576 39.52427 
1 1 1  -15   26   14 o   57.826   25.208   6.3916   7.0990 -14.3300   17.159   10.671   7.7976   51.370   26.003   66.219   27.535 -14.84885 37.87262 
1 1 1  -15   26   15 o   44.381   21.137  -1.5815   6.6941  -7.1630   16.644  -0.5044   7.3115   53.106   26.723   46.979   22.293 6.126564 34.80032 
1 1 1  -15   26   16 o   54.860   24.425   5.3436   7.0010   4.5740   17.628   5.4877   7.6284   57.844   28.872   55.377   25.005 2.466980 38.19458 
1 1 1  -15   26   17 o   56.655   25.010   6.6265   7.1891  -2.0380   18.019   8.2669   7.8401   54.453   27.451   59.436   26.184 -4.983231 37.93654 
1 1 1  -15   26   18 o   49.413   23.062   2.4504   7.2694 -11.8800   17.466   5.4531   7.9948   50.019   25.414   54.172   24.894 -4.152981 35.57567 
1 1 1  -15   26   19 o   40.321   19.820  -5.2468   7.2033 -17.2100   17.113  -2.6708   7.9410   47.442   24.202   44.090   21.488 3.351154 32.36497 
1 1 1  -15   26   20 o   55.650   24.946   7.4785   7.4378   9.4740   17.567   7.0427   8.2099   55.664   27.934   54.730   25.179 0.9349251 37.60683 
1 1 1  -15   26   21 o   58.552   25.639   9.7318   7.4173   33.280   17.546   4.6080   8.1846   65.962   32.102   50.551   23.867 15.41117 40.00264 
1 1 1  -15   26   22 o   35.304   17.959 -17.3794   8.9061 -14.6500   16.401 -18.5209   10.606   45.001   23.017   37.822   19.273 7.178734 30.02094 
1 1 1  -15   27    1 o   72.969   28.190   12.462   7.5624   16.270   11.765   9.7814   9.8720   73.202   32.167   65.141   29.003 8.060226 43.31117 
1 1 1  -15   27    2 o   55.450   25.646   3.3599   8.6819   6.9700   12.788   0.2734   11.824   61.833   29.382   55.466   26.843 6.366280 39.79744 
1 1 1  -15   27    3 o   68.350   28.596   11.231   8.4828   5.6510   12.160   16.520   11.839   60.239   28.632   73.064   32.182 -12.82436 43.07566 
1 1 1  -15   27    4 o   51.149   24.460  -0.6341   9.1576 -12.2400   16.851   4.2300   10.909   53.099   26.741   58.002   27.437 -4.902493 38.31261 
1 1 1  -15   27    5 o   49.196   23.735  -2.3182   9.0685   9.9510   15.258  -9.0190   11.276   63.809   30.785   47.783   23.724 16.02638 38.86622 
1 1 1  -15   27    6 o   65.898   27.942   10.286   8.2748   16.310   16.330   8.2047   9.5984   67.853   32.505   61.840   27.975 6.013584 42.88540 
1 1 1  -15   27    7 o   57.518   26.035   5.6573   8.3276   0.0722   16.081   7.7038   9.7345   57.270   28.417   60.829   27.772 -3.559433 39.73442 
1 1 1  -15   27    8 o   84.856   30.110   18.616   8.2999   12.430   16.028   20.882   9.7020   64.184   31.108   84.427   32.100 -20.24363 44.69992 
1 1 1  -15   27    9 o   88.129   28.477   18.363   7.4082   35.760   18.362   14.980   8.0964   79.130   36.837   75.483   29.166 3.647202 46.98584 
1 1 1  -15   27   10 o   38.053   18.708  -6.8434   6.4264   3.0420   16.307  -8.6608   6.9922   57.636   28.602   38.136   18.890 19.50038 34.27700 
1 1 1  -15   27   11 o   59.127   25.423   7.4316   7.0222   20.070   16.784   4.7499   7.7314   67.203   32.389   54.511   24.834 12.69217 40.81405 
1 1 1  -15   27   12 o   78.025   28.474   15.770   7.4831   17.820   17.925   15.337   8.2350   64.247   31.517   74.062   29.183 -9.814873 42.95255 
1 1 1  -15   27   13 o   39.422   19.326  -5.6664   6.7037 -10.0700   16.749  -4.8264   7.3152   50.849   25.733   41.712   20.393 9.137146 32.83404 
1 1 1  -15   27   14 o   38.400   18.875  -6.0285   6.5296   1.5560   15.646  -7.6281   7.1853   54.398   27.159   38.751   19.187 15.64739 33.25307 
1 1 1  -15   27   15 o   41.872   20.271  -2.8265   6.7595 -11.6800   17.027  -1.1701   7.3647   49.399   25.099   44.848   21.574 4.551300 33.09671 
1 1 1  -15   27   16 o   53.211   24.184   5.6008   7.2757   23.740   18.021   2.0685   7.9526   63.261   31.145   48.827   23.192 14.43416 38.83192 
1 1 1  -15   27   17 o   57.604   25.351   8.6070   7.3315   25.970   18.444   5.3488   7.9898   62.624   30.959   52.290   24.328 10.33412 39.37411 
1 1 1  -15   27   18 o   49.580   23.132   4.0889   7.3036   6.4620   17.758   3.6058   8.0126   53.250   26.894   49.356   23.396 3.893562 35.64669 
1 1 1  -15   27   19 o   49.491   23.101   4.6104   7.2977   0.0686   17.029   5.6321   8.0769   49.843   25.302   50.969   23.955 -1.125923 34.84259 
1 1 1  -15   27   20 o   49.347   23.865   4.9126   9.3047   16.760   17.261   0.0594   11.047   54.506   27.398   46.512   23.157 7.994064 35.87368 
1 1 1  -15   28    1 o   41.283   19.823  -2.9439   6.1534  -5.5717   8.4649   0.0007   8.9606   44.080   21.631   50.005   23.988 -5.925255 32.30002 
1 1 1  -15   28    2 o   50.619   23.200   2.7445   6.8802 -12.8813   9.6851   18.664   9.7757   41.555   20.838   77.212   31.328 -35.65727 37.62486 
1 1 1  -15   28    3 o   70.680   28.937   13.854   8.4341   15.980   15.365   12.938   10.090   65.041   31.256   66.185   29.402 -1.143257 42.91211 
1 1 1  -15   28    4 o   55.560   26.679   4.2049   11.146   12.580   16.123  -3.4610   15.425   62.108   30.345   53.284   26.658 8.823807 40.39150 
1 1 1  -15   28    5 o   60.782   28.631   9.8402   11.654   14.400   16.495   5.2950   16.468   62.806   30.688   57.717   28.659 5.089016 41.98944 
1 1 1  -15   28    6 o   52.912   23.782   4.4985   6.8076   11.070   16.722   3.1930   7.4531   60.446   29.806   51.404   23.770 9.042141 38.12392 
1 1 1  -15   28    7 o   45.254   21.444  -0.3882   6.7205  -3.5090   15.550   0.3286   7.4525   52.606   26.383   47.428   22.506 5.178596 34.67774 
1 1 1  -15   28    8 o   47.828   22.387   1.4164   6.9320  -8.5540   16.493   3.5555   7.6395   50.876   25.722   51.619   23.939 -0.7423897 35.13811 
1 1 1  -15   28    9 o   59.410   25.417   8.3206   6.9562   12.650   17.368   7.4934   7.5918   59.747   29.627   57.453   25.515 2.293907 39.09917 
1 1 1  -15   28   10 f   52.862   23.976   5.0120   7.1047  -3.7750   16.683   6.9586   7.8523   51.993   26.237   56.111   25.350 -4.118050 36.48291 
1 1 1  -15   28   11 o   61.798   26.244   10.111   7.3182   13.820   17.524   9.3273   8.0542   59.006   29.343   59.434   26.343 -0.4283295 39.43293 
1 1 1  -15   28   12 o   46.535   21.974   1.2817   6.9409   1.0950   17.479   1.3166   7.5627   53.011   26.763   47.368   22.534 5.642929 34.98635 
1 1 1  -15   28   13 o   46.016   21.767   1.2528   6.8651  -1.7530   17.055   1.8340   7.4995   51.224   25.928   47.505   22.552 3.719093 34.36368 
1 1 1  -15   28   14 o   45.872   21.752   1.3965   6.9388   0.5109   16.673   1.5821   7.6310   51.200   25.883   46.880   22.394 4.319790 34.22592 
1 1 1  -15   28   15 o   36.181   18.087  -8.7569   7.0396  -2.7630   17.716  -9.8807   7.6712   49.663   25.269   36.880   18.501 12.78263 31.31754 
1 1 1  -15   28   16 o   43.528   21.180  -0.6335   7.6281 -33.4500   18.322   6.2474   8.3898   42.293   21.775   51.406   24.238 -9.112656 32.58275 
1 1 1  -15   28   17 o   44.289   21.349   1.0900   7.2991 -13.8700   18.122   3.9868   7.9746   45.347   23.266   47.921   22.891 -2.574150 32.63891 
1 1 1  -15   28   18 o   42.363   20.585   0.0329   7.1392 -34.3100   17.501   6.8891   7.8195   40.265   20.756   50.484   23.677 -10.21924 31.48667 
1 1 1  -15   29    1 o   53.223   25.687   4.3248   10.645   6.6430   15.250   2.1220   14.866   55.758   27.668   53.361   26.615 2.396568 38.39090 
1 1 1  -15   29    2 o   39.140   19.488  -8.5711   7.8292 -12.7092   9.2257   2.0790   14.800   39.520   19.887   53.202   26.539 -13.68235 33.16355 
1 1 1  -15   29    3 o   81.184   28.037   17.455   7.1651   25.383   10.529   10.618   9.7782   82.237   32.809   59.741   27.482 22.49577 42.79854 
1 1 1  -15   29    4 o   54.319   24.070   6.2652   6.7203   7.0295   9.8317   5.5949   9.2070   55.245   26.107   53.596   25.308 1.649433 36.35975 
1 1 1  -15   29    5 o   54.568   25.352   6.6373   8.6260   16.810   16.520   2.8244   10.114   60.064   29.619   51.029   24.727 9.035450 38.58408 
1 1 1  -15   29    6 o   72.703   29.802   18.019   8.9595   19.990   16.269   17.161   10.734   61.637   30.193   66.176   29.792 -4.538837 42.41651 
1 1 1  -15   29    7 o   76.415   28.343   16.964   7.4636   19.100   16.637   16.426   8.3511   60.320   29.741   71.055   28.908 -10.73558 41.47555 
1 1 1  -15   29    8 o   36.388   18.090  -7.6228   6.6412   19.050   15.860 -13.2942   7.3132   60.256   29.576   34.358   17.342 25.89820 34.28547 
1 1 1  -15   29    9 f   42.956   20.738  -1.0140   6.9492 -19.7200   16.055   3.2985   7.7087   44.430   22.729   48.828   23.087 -4.398003 32.39812 
1 1 1  -15   29   10 o   47.444   22.366   2.8248   7.1368 -10.8000   17.277   5.6282   7.8367   47.255   24.125   51.450   23.990 -4.194489 34.02257 
1 1 1  -15   29   11 o   77.459   28.582   18.682   7.5705   17.490   18.096   18.935   8.3349   56.022   28.146   73.713   29.259 -17.69162 40.59904 
1 1 1  -15   29   12 o   43.502   21.000   0.1509   7.1238   14.980   16.350  -3.3240   7.9145   54.818   27.428   41.440   20.448 13.37825 34.21114 
1 1 1  -15   29   13 o   50.676   23.473   6.2344   7.3137  -0.2937   16.913   7.7359   8.1113   48.383   24.625   52.428   24.433 -4.045895 34.68896 
1 1 1  -15   29   14 o   46.144   22.013   3.2303   7.3229  -0.2374   18.312   3.8904   7.9896   47.904   24.487   47.175   22.636 0.7289467 33.34671 
1 1 1  -15   29   15 f   52.247   24.012   8.4173   7.4403  -2.6890   18.439   10.577   8.1317   46.497   23.829   54.542   25.080 -8.044994 34.59523 
1 1 1  -15   29   16 o   38.851   19.603  -7.5533   9.2984   3.3660   18.715 -11.1322   10.714   46.985   24.074   38.929   19.792 8.055599 31.16558 
1 1 1  -15   30    1 o   57.751   25.197   9.5684   7.1061   4.1650   9.8392   15.460   10.274   49.875   24.219   61.482   28.242 -11.60728 37.20406 
1 1 1  -15   30    2 o   48.213   22.518   3.8349   6.9506  -4.5100   9.8222   12.205   9.8370   43.475   21.676   57.942   26.970 -14.46754 34.60097 
1 1 1  -15   30    3 o   59.148   25.521   10.447   7.1267   3.8611   9.9169   17.481   10.249   49.393   24.059   63.785   28.876 -14.39267 37.58555 
1 1 1  -15   30    4 o   40.504   19.894  -3.1762   7.2133 -13.6154   10.373   6.5972   10.037   39.344   19.948   51.563   24.900 -12.21908 31.90534 
1 1 1  -15   30    5 o   38.474   18.936  -4.0892   6.6453  -3.8000   9.6789  -4.3472   9.1399   43.329   21.589   42.345   21.079 0.9840698 30.17342 
1 1 1  -15   30    6 o   50.479   23.908   5.9965   8.3322   18.930   16.778   1.7629   9.5995   55.796   27.897   46.892   23.015 8.904552 36.16583 
1 1 1  -15   30    7 o   35.743   17.837  -7.3040   6.7156   3.4290   15.665  -9.7208   7.4333   49.280   24.933   35.722   17.960 13.55743 30.72807 
1 1 1  -15   30    8 o   61.382   26.204   12.799   7.3648   28.900   17.086   9.1248   8.1620   58.979   29.269   53.709   24.850 5.270267 38.39549 
1 1 1  -15   30    9 o   50.008   24.022   6.7964   9.0550 -22.3200   17.251   17.869   10.638   42.284   21.737   60.080   27.993 -17.79607 35.44115 
1 1 1  -15   30   10 o   36.242   18.348 -11.6209   8.5676   13.110   17.361 -19.5833   9.8507   50.868   25.793   35.126   17.956 15.74192 31.42732 
1 1 1  -15   30   11 o   63.067   26.785   15.224   7.6230   48.400   18.243   8.2061   8.3907   63.814   31.402   50.601   23.973 13.21386 39.50680 
1 1 1  -15   30   12 o   55.633   25.197   11.955   7.8135   39.480   17.567   5.1666   8.7240   59.138   29.404   46.738   22.721 12.39991 37.15973 
1 1 1  -15   30   13 o   41.118   20.932  -6.9699   12.268   5.1090   18.573 -16.3200   16.341   46.225   23.705   41.042   21.102 5.183231 31.73629 
1 1 1  -15   31    1 o   50.464   23.033   7.2165   6.6885   0.2910   9.3754   14.394   9.5448   43.713   21.691   56.367   26.347 -12.65433 34.12735 
1 1 1  -15   31    2 o   34.042   17.076  -7.9096   6.5302 -12.1721   9.3587  -3.8651   9.1163   36.875   18.722   40.775   20.413 -3.900188 27.69871 
1 1 1  -15   31    3 o   58.221   25.428   12.368   7.2534   11.791   10.532   12.888   10.004   52.100   25.243   53.652   25.632 -1.551750 35.97472 
1 1 1  -15   31    4 o   63.953   26.709   15.560   7.3816   7.9696   9.9919   24.680   10.952   49.009   23.933   64.296   29.395 -15.28678 37.90614 
1 1 1  -15   31    5 o   29.604   15.138 -18.4149   7.0579 -21.8677   10.062 -15.0710   9.9024   34.104   17.486   36.153   18.440 -2.048592 25.41276 
1 1 1  -15   31    6 f   36.936   18.565  -6.7357   7.9163 -20.8500   15.569  -1.8140   9.1935   39.835   20.486   41.391   20.688 -1.556038 29.11532 
1 1 1  -15   31    7 o   47.863   23.104   7.2850   8.6194   13.600   16.549   4.9342   10.097   48.526   24.664   45.751   22.669 2.774879 33.49918 
1 1 1  -15   31    8 o   49.302   23.227   8.4494   7.6753  -4.3660   17.311   11.585   8.5629   43.385   22.286   52.021   24.516 -8.635368 33.13123 
1 1 1  -14    0    1 o  436.486   12.051  248.090   13.602  248.090   13.602  248.090   13.602  436.486   12.051  436.486   12.051 -0.000000 0.000000 
1 1 1  -14    0    2 o  127.010   16.965   22.103   5.3024   22.103   5.3024   22.103   5.3024  127.010   16.965  127.010   16.965 -0.000000 0.000000 
1 1 1  -14    0    3 o  342.302   12.275  152.838   10.852  152.838   10.852  152.838   10.852  342.302   12.275  342.302   12.275 -0.000000 0.000000 
1 1 1  -14    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14    0    5 o  268.373   21.267   95.970   14.571   95.970   14.571   95.970   14.571  268.373   21.267  268.373   21.267 -0.000000 0.000000 
1 1 1  -14    0    6 o   74.306   30.300   10.130   5.7342   10.130   5.7342   10.130   5.7342   74.306   30.300   74.306   30.300 0.000000 0.000000 
1 1 1  -14    0    7 o   33.138   22.135  -1.7154   5.2149  -1.7154   5.2149  -1.7154   5.2149   33.138   22.135   33.138   22.135 -0.000000 0.000000 
1 1 1  -14    0    8 o  268.834   14.097   94.850   9.7550   94.850   9.7550   94.850   9.7550  268.834   14.097  268.834   14.097 0.000000 0.000000 
1 1 1  -14    0    9 o  350.671   13.330  160.727   12.069  160.727   12.069  160.727   12.069  350.671   13.330  350.671   13.330 0.000000 0.000000 
1 1 1  -14    0   10 o  461.297   13.167  277.664   15.704  277.664   15.704  277.664   15.704  461.297   13.167  461.297   13.167 -0.000000 0.000000 
1 1 1  -14    0   11 o  238.420   15.211   75.037   9.3063   75.037   9.3063   75.037   9.3063  238.420   15.211  238.420   15.211 -0.000000 0.000000 
1 1 1  -14    0   12 o  121.799   28.171   22.414   7.7335   22.414   7.7335   22.414   7.7335  121.799   28.171  121.799   28.171 0.000000 0.000000 
1 1 1  -14    0   13 o  150.256   21.598   31.431   7.9020   31.431   7.9020   31.431   7.9020  150.256   21.598  150.256   21.598 0.000000 0.000000 
1 1 1  -14    0   14 o  303.460   19.029  122.300   14.823  122.300   14.823  122.300   14.823  303.460   19.029  303.460   19.029 0.000000 0.000000 
1 1 1  -14    0   15 o  174.894   21.062   41.980   9.1753   41.980   9.1753   41.980   9.1753  174.894   21.062  174.894   21.062 0.000000 0.000000 
1 1 1  -14    0   16 o   29.952   21.302  -9.5631   7.1336  -9.5631   7.1336  -9.5631   7.1336   29.952   21.302   29.952   21.302 -0.000000 0.000000 
1 1 1  -14    0   17 o  435.409   14.116  248.612   15.883  248.612   15.883  248.612   15.883  435.409   14.116  435.409   14.116 0.000000 0.000000 
1 1 1  -14    0   18 o  385.292   14.267  195.030   14.194  195.030   14.194  195.030   14.194  385.292   14.267  385.292   14.267 0.000000 0.000000 
1 1 1  -14    0   19 o  173.705   21.378   41.724   9.2283   41.724   9.2283   41.724   9.2283  173.705   21.378  173.705   21.378 0.000000 0.000000 
1 1 1  -14    0   20 o  433.665   14.348  247.348   16.078  247.348   16.078  247.348   16.078  433.665   14.348  433.665   14.348 0.000000 0.000000 
1 1 1  -14    0   21 o   96.316   36.122   17.081   8.4148   17.081   8.4148   17.081   8.4148   96.316   36.122   96.316   36.122 -0.000000 0.000000 
1 1 1  -14    0   22 o   59.497   33.792   6.8445   8.0846   6.8445   8.0846   6.8445   8.0846   59.497   33.792   59.497   33.792 0.000000 0.000000 
1 1 1  -14    0   23 o  176.038   22.507   43.545   9.8042   43.545   9.8042   43.545   9.8042  176.038   22.507  176.038   22.507 0.000000 0.000000 
1 1 1  -14    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14    0   25 o   80.103   37.959   13.703   8.9439   13.703   8.9439   13.703   8.9439   80.103   37.959   80.103   37.959 0.000000 0.000000 
1 1 1  -14    0   26 o   98.582   37.954   18.916   9.1807   18.916   9.1807   18.916   9.1807   98.582   37.954   98.582   37.954 -0.000000 0.000000 
1 1 1  -14    0   27 o  182.926   22.166   47.555   10.093   47.555   10.093   47.555   10.093  182.926   22.166  182.926   22.166 -0.000000 0.000000 
1 1 1  -14    0   28 o   33.985   23.924  -7.8453   8.2577  -7.8453   8.2577  -7.8453   8.2577   33.985   23.924   33.985   23.924 -0.000000 0.000000 
1 1 1  -14    0   29 o   53.942   33.216   5.0538   9.0396   5.0538   9.0396   5.0538   9.0396   53.942   33.216   53.942   33.216 -0.000000 0.000000 
1 1 1  -14    0   30 o   73.836   38.676   13.050   9.7393   13.050   9.7393   13.050   9.7393   73.836   38.676   73.836   38.676 0.000000 0.000000 
1 1 1  -14    0   31 o   65.262   37.116   10.264   9.7711   10.264   9.7711   10.264   9.7711   65.262   37.116   65.262   37.116 0.000000 0.000000 
1 1 1  -14    0   32 o   58.231   35.489   7.5299   10.082   7.5299   10.082   7.5299   10.082   58.231   35.489   58.231   35.489 0.000000 0.000000 
1 1 1  -14    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14    0   34 o  152.941   34.689   41.235   11.982   41.235   11.982   41.235   11.982  152.941   34.689  152.941   34.689 -0.000000 0.000000 
1 1 1  -14    0   35 o   73.336   40.849   16.269   11.522   16.269   11.522   16.269   11.522   73.336   40.849   73.336   40.849 0.000000 0.000000 
1 1 1  -14    0   36 o   60.461   37.210   10.890   11.330   10.890   11.330   10.890   11.330   60.461   37.210   60.461   37.210 0.000000 0.000000 
1 1 1  -14    0   37 o  142.361   37.373   39.947   11.907   39.947   11.907   39.947   11.907  142.361   37.373  142.361   37.373 -0.000000 0.000000 
1 1 1  -14    0   38 o  216.748   24.610   75.492   13.357   75.492   13.357   75.492   13.357  216.748   24.610  216.748   24.610 -0.000000 0.000000 
1 1 1  -14    0   39 o   44.285   30.485   1.6907   11.523   1.6907   11.523   1.6907   11.523   44.285   30.485   44.285   30.485 0.000000 0.000000 
1 1 1  -14    0   40 o   58.898   36.861   14.250   11.590   14.250   11.590   14.250   11.590   58.898   36.861   58.898   36.861 0.000000 0.000000 
1 1 1  -14    1    1 o  222.812   8.8410   64.484   5.1026   65.527   7.1695   63.414   7.2638  223.956   12.407  220.244   12.787 3.711685 17.81734 
1 1 1  -14    1    2 o  174.724   10.164   39.824   4.5803   44.279   6.3526   35.001   6.6100  183.802   13.436  162.877   15.869 20.92456 20.79291 
1 1 1  -14    1    3 o  324.343   10.346  136.800   8.6922  131.033   10.420  150.000   15.763  317.110   12.685  337.767   18.082 -20.65738 22.08779 
1 1 1  -14    1    4 o   40.375   18.480  -2.9531   4.3452  -5.7860   5.1463   4.0820   8.1098   40.076   18.923   72.898   28.885 -32.82267 34.53121 
1 1 1  -14    1    5 o  142.061   18.971   26.960   6.8064   39.540   11.938   20.900   8.2850  170.040   28.084  123.034   26.759 47.00512 38.79069 
1 1 1  -14    1    6 o  468.143   10.576  285.154   12.825  278.800   23.005  288.019   15.448  460.442   19.289  470.014   12.689 -9.572296 23.08820 
1 1 1  -14    1    7 o  411.590   9.0718  220.185   9.6719  221.686   13.817  218.742   13.543  412.239   12.939  409.532   12.767 2.707336 18.17755 
1 1 1  -14    1    8 o  302.863   9.5907  119.293   7.5239  124.752   10.790  114.126   10.497  309.092   13.477  295.594   13.709 13.49811 19.22415 
1 1 1  -14    1    9 o  199.725   11.342   52.146   5.8434   53.983   8.3665   50.397   8.1648  202.293   16.100  195.375   16.282 6.917984 22.89761 
1 1 1  -14    1   10 o  251.204   10.540   82.189   6.8583   83.158   9.7298   81.231   9.6688  251.528   15.002  248.566   15.088 2.961731 21.27708 
1 1 1  -14    1   11 o  205.103   11.731   55.063   6.2067   53.418   8.8679   56.643   8.6899  200.786   17.217  207.025   16.338 -6.239151 23.73489 
1 1 1  -14    1   12 o  330.609   9.8806  142.361   8.4615  138.093   12.029  146.541   11.905  324.621   14.305  334.556   13.738 -9.934265 19.83333 
1 1 1  -14    1   13 o  221.392   11.564   64.175   6.6088   59.347   9.3018   69.097   9.3915  211.500   17.126  228.656   15.956 -17.15643 23.40717 
1 1 1  -14    1   14 o  337.313   14.762  149.486   12.898  153.300   16.399  143.300   20.886  339.651   18.712  325.144   24.990 14.50674 31.21925 
1 1 1  -14    1   15 o  186.139   16.430   46.064   7.8405   48.730   15.806   45.194   9.0297  184.075   34.415  183.474   19.289 0.6018219 39.45197 
1 1 1  -14    1   16 o  277.514   10.848  100.630   7.7980  102.466   10.959   98.746   11.099  278.448   15.252  273.149   15.753 5.299103 21.92677 
1 1 1  -14    1   17 o   54.451   22.232   1.7028   4.9615   2.2805   6.9842   1.1143   7.0496   63.807   26.252   61.412   25.901 2.395073 36.87853 
1 1 1  -14    1   18 o   82.584   23.697   9.4978   5.3340   9.2882   7.6058   9.7007   7.4825   84.191   28.897   85.278   28.666 -1.087242 40.70362 
1 1 1  -14    1   19 o  322.635   10.585  136.203   8.8458  131.842   12.696  140.318   12.332  315.580   15.531  325.977   14.604 -10.39612 21.31928 
1 1 1  -14    1   20 o  171.825   15.027   39.369   6.6209   39.807   9.6883   38.986   9.0692  169.821   22.584  168.628   21.234 1.193039 30.99879 
1 1 1  -14    1   21 o  119.631   20.314   19.819   6.0697   18.329   8.7802   21.183   8.4001  111.719   29.794  120.980   27.437 -9.261002 40.50234 
1 1 1  -14    1   22 o   96.111   24.008   13.242   5.9594   8.1409   8.6430   17.865   8.2280   81.616   30.455  110.239   28.578 -28.62296 41.76345 
1 1 1  -14    1   23 o   68.803   25.308   5.6869   5.9287   0.0973   8.6521   10.635   8.1402   63.930   27.851   87.277   29.897 -23.34711 40.85936 
1 1 1  -14    1   24 o   76.508   34.021  -0.2883   13.541  -0.2883   13.541   0.0000   0.0000   76.508   34.021  ?   ?  0.000000 34.02143 
1 1 1  -14    1   25 o   61.680   24.542   3.5085   5.8774   8.9356   8.3802  -1.7453   8.2453   81.852   30.092   58.804   26.319 23.04771 39.97816 
1 1 1  -14    1   26 o  146.012   17.920   29.476   6.6353   26.381   9.4573   32.476   9.3118  131.992   28.496  149.223   24.973 -17.23055 37.89029 
1 1 1  -14    1   27 o   44.806   20.825  -4.1323   5.8304  -1.5327   8.1957  -6.7960   8.2961   58.382   26.178   51.363   24.183 7.019630 35.63819 
1 1 1  -14    1   28 o  168.469   16.351   39.002   7.0454   43.260   10.094   34.957   9.8383  172.808   23.130  153.278   25.688 19.53029 34.56747 
1 1 1  -14    1   29 o  145.453   19.102   29.895   7.0230   29.312   9.7437   30.525   10.132  137.578   28.286  139.974   28.901 -2.396118 40.44016 
1 1 1  -14    1   30 o   97.637   25.211   14.639   6.4202   9.1547   8.9003   20.589   9.2700   80.364   30.699  112.138   30.916 -31.77365 43.56913 
1 1 1  -14    1   31 o   87.201   26.910   11.967   6.6862   10.009   9.4532   13.927   9.4581   82.103   31.573   91.859   32.184 -9.756409 45.08543 
1 1 1  -14    1   32 f  147.558   20.942   31.983   7.7798   25.416   11.062   38.410   10.943  119.436   34.081  154.864   28.324 -35.42846 44.31407 
1 1 1  -14    1   33 o   97.649   41.075   19.560   17.652   19.560   17.652   0.0000   0.0000   97.649   41.075  ?   ?  0.000000 41.07464 
1 1 1  -14    1   34 o  173.184   19.220   43.987   8.4767   35.578   11.717   53.221   12.279  140.684   32.763  181.153   26.991 -40.46892 42.44949 
1 1 1  -14    1   35 o   94.253   29.598   15.942   8.0491   16.073   11.080   15.795   11.712   90.423   34.322   89.379   34.927 1.043953 48.96852 
1 1 1  -14    1   36 o  156.326   22.365   38.239   8.7981   31.635   12.358   45.026   12.528  123.101   36.288  156.714   31.946 -33.61330 48.34660 
1 1 1  -14    1   37 o   56.024   25.495   0.2315   8.1186   0.1261   11.430   0.3389   11.534   62.503   29.086   62.912   29.257 -0.4086876 41.25478 
1 1 1  -14    1   38 o   69.397   28.678   7.9100   8.3828   10.881   11.689   4.7633   12.029   75.853   32.707   67.570   30.859 8.282562 44.96682 
1 1 1  -14    1   39 o   60.000   26.424   3.8893   7.9777   3.0822   10.915   4.8150   11.689   62.845   28.957   65.778   30.181 -2.933247 41.82572 
1 1 1  -14    1   40 o   42.607   20.944  -9.7134   8.0472  -7.7438   11.439 -11.6430   11.323   52.079   25.470   49.152   24.291 2.926910 35.19624 
1 1 1  -14    2    1 o  319.654   8.4871  132.697   7.0273  139.988   10.015  125.624   9.8634  327.905   11.791  310.560   12.261 17.34442 17.01042 
1 1 1  -14    2    2 o  359.226   9.9839  167.765   9.2901  163.157   11.258  177.600   16.448  353.915   12.280  368.228   17.244 -14.31219 21.17002 
1 1 1  -14    2    3 o  120.011   16.541   19.193   5.0053   19.030   6.0693   19.540   8.8499  118.647   20.489  118.626   29.036 0.2053070E-01 35.53706 
1 1 1  -14    2    4 o  352.200   8.8856  161.157   8.1064  164.939   11.524  157.452   11.406  355.768   12.505  347.572   12.668 8.196747 17.80040 
1 1 1  -14    2    5 o  264.085   10.814   90.754   7.3973   88.248   9.0646   95.750   12.799  259.724   13.520  269.439   18.450 -9.714355 22.87325 
1 1 1  -14    2    6 o   47.008   20.821  -1.5869   5.0239 -12.1300   11.522   0.8878   5.5824   60.159   28.378   55.541   23.214 4.617638 36.66302 
1 1 1  -14    2    7 o  253.385   11.904   83.671   7.8131  112.200   16.108   74.894   8.9345  290.633   21.550  238.943   14.504 51.68970 25.97621 
1 1 1  -14    2    8 o  399.931   9.2118  207.962   9.5429  202.930   13.401  213.139   13.592  394.274   13.122  404.102   12.985 -9.827942 18.46070 
1 1 1  -14    2    9 o  320.145   9.5967  133.338   7.9583  138.354   11.421  128.604   11.096  325.391   13.550  313.694   13.655 11.69727 19.23712 
1 1 1  -14    2   10 o  208.258   11.432   56.717   6.1435   56.020   8.5568   57.458   8.8261  205.986   16.167  208.554   16.472 -2.568314 23.08018 
1 1 1  -14    2   11 o  169.221   13.122   37.656   5.7067   37.661   8.0407   37.652   8.1007  167.915   18.810  167.851   18.964 0.6396484E-01 26.71025 
1 1 1  -14    2   12 f  228.652   11.167   68.207   6.6139   66.315   9.2174   70.216   9.4957  224.066   15.986  230.589   15.997 -6.522903 22.61527 
1 1 1  -14    2   13 o  416.344   9.6765  225.821   10.436  233.802   15.161  218.634   14.386  422.346   13.858  408.508   13.596 13.83875 19.41355 
1 1 1  -14    2   14 o  201.066   15.225   53.462   7.8706   52.274   9.6257   55.860   13.672  197.668   19.035  201.346   26.886 -3.678253 32.94179 
1 1 1  -14    2   15 o  127.912   26.401   22.966   8.4574   17.750   13.507   26.330   10.847  113.172   38.513  135.398   31.517 -22.22619 49.76548 
1 1 1  -14    2   16 o  238.707   11.601   74.556   7.1733   73.530   10.238   75.546   10.053  235.150   16.922  238.564   16.368 -3.414200 23.54271 
1 1 1  -14    2   17 o   93.746   22.734   12.307   5.4637   19.000   7.8134   5.9040   7.6431  115.728   26.619   74.853   28.483 40.87509 38.98566 
1 1 1  -14    2   18 o  349.158   10.069  159.278   9.1064  148.558   12.845  170.111   12.913  335.525   14.779  359.438   13.869 -23.91312 20.26729 
1 1 1  -14    2   19 o  276.570   10.947  100.169   7.8424   95.870   11.096  104.460   11.085  268.441   16.031  280.570   15.311 -12.12891 22.16816 
1 1 1  -14    2   20 o   89.716   23.327   11.392   5.4716   4.2912   7.7485   18.454   7.7274   70.521   28.142  113.295   26.758 -42.77412 38.83265 
1 1 1  -14    2   21 o  194.282   13.498   50.081   6.7507   47.031   9.7064   52.938   9.3950  185.363   20.562  197.726   18.561 -12.36250 27.70003 
1 1 1  -14    2   22 o   92.841   24.308   12.376   5.9147   7.8899   8.7132   16.209   8.0547   81.050   30.513  104.978   28.768 -23.92783 41.93569 
1 1 1  -14    2   23 o  151.949   18.990   31.722   7.3111   33.310   11.766   30.722   9.3314  148.903   31.489  146.268   25.559 2.634644 40.55622 
1 1 1  -14    2   24 o  117.186   30.176   20.822   9.2149   11.590   14.662   26.850   11.847   96.472   38.637  130.770   34.482 -34.29818 51.78674 
1 1 1  -14    2   25 o  116.229   21.533   19.248   6.2441   20.506   8.9240   18.041   8.7400  115.940   29.610  108.551   30.056 7.388680 42.19162 
1 1 1  -14    2   26 o   38.714   18.693  -8.0090   5.6523  -8.5689   8.0259  -7.4581   7.9615   48.443   23.092   49.474   23.414 -1.030827 32.88537 
1 1 1  -14    2   27 o  125.328   20.947   22.441   6.5602   28.264   9.3866   16.881   9.1723  136.773   27.449  103.334   31.452 33.43976 41.74499 
1 1 1  -14    2   28 o  244.791   12.811   80.345   8.0947   72.197   11.305   88.918   11.596  227.079   19.406  253.653   17.760 -26.57413 26.30654 
1 1 1  -14    2   29 o  122.533   21.777   21.864   6.6588   27.574   9.0908   15.255   9.7809  134.164   27.092   97.038   32.774 37.12589 42.52165 
1 1 1  -14    2   30 o  117.733   23.470   20.726   6.9064   15.525   9.4769   26.616   10.086   97.051   32.257  127.970   30.799 -30.91866 44.59866 
1 1 1  -14    2   31 o  115.881   24.868   20.622   7.2412   18.750   10.140   22.570   10.344  104.235   33.279  114.558   33.037 -10.32246 46.89274 
1 1 1  -14    2   32 o   86.242   29.498   12.158   7.9244   18.860   12.534   7.6942   10.228  100.602   36.829   76.906   31.720 23.69646 48.60616 
1 1 1  -14    2   33 o   58.269   28.469 -15.1000   14.185 -15.1000   14.185   0.0000   0.0000   58.269   28.469  ?   ?  0.000000 28.46872 
1 1 1  -14    2   34 o  117.576   27.155   22.925   8.1035   23.487   11.535   22.377   11.387  109.014   35.557  106.540   35.355 2.473961 50.14215 
1 1 1  -14    2   35 o   50.723   23.618  -3.0457   7.5535   10.492   11.038 -14.9677   10.359   79.065   32.810   47.663   23.494 31.40135 40.35420 
1 1 1  -14    2   36 o   89.985   29.486   14.891   7.9291   12.900   10.998   17.046   11.442   82.245   33.278   90.394   34.742 -8.148933 48.10867 
1 1 1  -14    2   37 o   95.565   29.990   17.366   8.2654   18.787   11.630   15.915   11.750   92.164   35.120   86.199   34.565 5.965172 49.27576 
1 1 1  -14    2   38 o  187.334   18.947   53.368   9.0679   54.562   13.160   52.289   12.513  170.607   30.916  169.045   29.657 1.562180 42.84134 
1 1 1  -14    2   39 o  128.961   27.069   29.998   8.7542   25.388   12.317   34.706   12.445   99.757   36.511  121.520   36.557 -21.76289 51.66682 
1 1 1  -14    2   40 o  111.560   29.945   25.347   8.8345   22.234   12.285   28.682   12.714   89.746   35.554  101.607   37.109 -11.86050 51.39231 
1 1 1  -14    3    1 o  262.819   11.327   89.908   7.7113   95.510   10.415   83.110   11.473  269.984   14.951  251.179   17.747 18.80449 23.20528 
1 1 1  -14    3    2 o  237.068   12.038   73.388   7.3682   78.670   9.7880   66.480   11.193  244.829   15.514  224.093   19.477 20.73576 24.90049 
1 1 1  -14    3    3 o  125.163   12.720   20.627   4.0668   23.912   5.4226   16.403   6.1480  134.296   15.896  109.541   22.423 24.75558 27.48581 
1 1 1  -14    3    4 o  393.339   8.8106  201.013   8.9768  191.512   12.619  210.746   12.773  383.280   12.711  402.157   12.261 -18.87738 17.66051 
1 1 1  -14    3    5 o  154.916   11.922   31.449   4.7472   30.346   6.5264   32.687   6.9178  151.254   16.949  156.970   17.301 -5.716644 24.21994 
1 1 1  -14    3    6 o   80.107   24.219   8.6012   5.4523   5.5870   12.456   9.3156   6.0641   88.043   35.488   83.458   25.606 4.584404 43.76182 
1 1 1  -14    3    7 o  248.035   12.479   80.438   7.9918   82.040   16.286   79.929   9.1719  246.759   25.865  246.860   14.406 -0.1015472 29.60611 
1 1 1  -14    3    8 o  191.891   14.663   48.448   7.2332   55.500   14.988   46.307   8.2586  200.970   29.685  187.014   17.242 13.95520 34.32947 
1 1 1  -14    3    9 o  130.346   14.831   22.524   4.9183   18.231   6.7960   27.244   7.1270  115.081   23.590  142.348   19.871 -27.26630 30.84396 
1 1 1  -14    3   10 o  301.120   9.7259  118.023   7.5861  122.998   10.881  113.318   10.582  306.651   13.699  294.299   13.881 12.35248 19.50235 
1 1 1  -14    3   11 o  347.139   9.6559  156.893   8.6825  154.722   12.262  159.077   12.296  343.801   13.769  348.646   13.615 -4.845734 19.36395 
1 1 1  -14    3   12 f  186.575   12.324   45.689   5.9227   38.695   8.0977   53.733   8.6849  170.119   18.684  201.319   16.808 -31.19958 25.13184 
1 1 1  -14    3   13 o  160.329   18.629   34.456   7.5925   45.000   9.7606   18.300   12.082  182.740   21.002  114.112   36.313 68.62807 41.94915 
1 1 1  -14    3   14 o  183.725   13.426   44.485   6.3452   42.982   8.8368   46.084   9.1168  178.919   19.377  185.365   19.269 -6.446381 27.32684 
1 1 1  -14    3   15 o  446.945   14.354  262.615   16.618  270.700   24.876  256.100   22.331  449.744   21.353  438.526   19.659 11.21765 29.02496 
1 1 1  -14    3   16 o  200.902   12.570   53.114   6.5086   59.479   9.3464   47.122   9.0690  211.225   17.233  187.274   18.956 23.95013 25.61844 
1 1 1  -14    3   17 o  119.596   18.577   19.459   5.5683   20.604   8.0593   18.414   7.7023  120.567   26.526  113.856   26.597 6.710915 37.56350 
1 1 1  -14    3   18 o  309.560   10.579  125.334   8.4825  126.393   12.159  124.330   11.840  309.271   15.177  306.849   14.896 2.421967 21.26597 
1 1 1  -14    3   19 o  320.975   10.461  134.815   8.6974  142.906   12.552  127.343   12.062  328.812   14.737  310.275   15.008 18.53745 21.03440 
1 1 1  -14    3   20 o  298.529   11.063  116.868   8.5546  116.322   12.065  117.420   12.131  295.542   15.818  296.930   15.829 -1.388489 22.37788 
1 1 1  -14    3   21 o  173.426   15.052   40.209   6.6947   40.666   9.4868   39.755   9.4489  171.558   21.843  169.505   22.042 2.052353 31.03187 
1 1 1  -14    3   22 f  159.896   16.159   34.473   6.6008   28.642   9.3354   40.303   9.3345  141.004   26.533  170.514   21.620 -29.50970 34.22589 
1 1 1  -14    3   23 o  242.388   17.243   79.461   10.755   91.290   14.377   64.430   16.207  256.694   21.830  208.727   30.911 47.96715 37.84263 
1 1 1  -14    3   24 o  177.975   22.310   44.538   10.059   37.090   16.191   49.220   12.837  148.995   40.769  183.371   27.905 -34.37589 49.40499 
1 1 1  -14    3   25 o   47.672   21.458  -1.9288   5.5656  -3.2243   8.0877  -0.7635   7.6706   55.837   25.424   58.343   25.791 -2.505688 36.21498 
1 1 1  -14    3   26 o   47.890   21.621  -2.0555   5.7010  -1.1504   8.1195  -2.9356   8.0065   58.949   26.270   55.711   25.339 3.237949 36.49925 
1 1 1  -14    3   27 o  138.379   19.190   26.909   6.6934   31.925   9.5260   22.017   9.4068  146.456   26.066  118.246   30.509 28.20993 40.12754 
1 1 1  -14    3   28 o   85.544   25.985   11.039   6.2654   5.9795   8.7712   16.310   8.9527   73.782   29.766  101.056   31.131 -27.27454 43.07114 
1 1 1  -14    3   29 o  118.534   23.006   20.768   6.8090   34.535   9.5601   6.5952   9.7002  151.950   25.170   76.265   31.106 75.68418 40.01426 
1 1 1  -14    3   30 o   83.508   26.548   10.734   6.4588   12.511   9.3038   9.0805   8.9734   88.834   31.841   80.050   30.767 8.783989 44.27727 
1 1 1  -14    3   31 o  239.223   14.119   78.137   8.7102   72.310   12.153   84.292   12.490  222.990   21.300  242.299   20.081 -19.30980 29.27303 
1 1 1  -14    3   32 o   94.000   28.674   14.626   7.6175   22.900   12.384   9.5893   9.6616  109.719   36.879   80.042   31.587 29.67764 48.55690 
1 1 1  -14    3   33 o   59.979   28.027  -3.7028   10.789  -5.3370   17.475  -2.6960   13.716   71.124   33.950   67.222   31.472 3.902206 46.29366 
1 1 1  -14    3   34 o   38.286   19.004 -14.1795   7.2178 -10.8376   10.178 -17.5609   10.238   50.748   24.640   45.918   22.765 4.830410 33.54709 
1 1 1  -14    3   35 o  180.361   19.276   48.307   8.8661   52.827   12.497   43.727   12.581  176.834   28.232  154.932   32.391 21.90187 42.96752 
1 1 1  -14    3   36 o   65.828   27.697   5.5848   8.0294   22.811   11.234 -12.4078   11.481  103.862   35.124   51.816   25.378 52.04615 43.33261 
1 1 1  -14    3   37 o  121.688   25.803   25.153   7.8811   26.378   11.359   24.016   10.944  110.601   35.212  105.897   34.638 4.703384 49.39281 
1 1 1  -14    3   38 o  114.035   28.170   23.797   8.2721   20.500   10.956   28.169   12.616   94.909   34.481  107.809   37.204 -12.90002 50.72547 
1 1 1  -14    3   39 o   82.112   30.387   14.150   8.5696   16.822   11.971   11.342   12.273   83.004   34.283   74.135   32.705 8.868599 47.38089 
1 1 1  -14    3   40 o   46.295   22.389  -5.8816   8.1907  -9.5493   12.074  -2.7548   11.148   51.703   25.462   55.324   26.596 -3.621483 36.81953 
1 1 1  -14    4    1 o  158.068   12.334   32.754   5.0101   48.070   12.413   29.773   5.4760  188.417   26.138  150.347   14.230 38.06998 29.76051 
1 1 1  -14    4    2 o  383.197   8.7023  190.770   8.6379  186.633   12.195  194.935   12.237  378.410   12.441  386.779   12.214 -8.368591 17.43468 
1 1 1  -14    4    3 o  169.734   10.896   37.649   4.7651   34.863   6.4181   41.070   7.1132  162.557   15.427  176.493   15.724 -13.93596 22.02802 
1 1 1  -14    4    4 o  299.042   9.1856  116.235   7.1152  121.147   10.142  111.473   9.9846  304.778   12.847  292.301   13.187 12.47638 18.41035 
1 1 1  -14    4    5 o  229.487  10.0000   68.506   5.9444   66.319   8.3336   70.771   8.4817  224.828   14.385  232.324   14.162 -7.496582 20.18635 
1 1 1  -14    4    6 o  328.515   14.377  141.079   12.234  162.200   19.601  127.600   15.658  349.541   21.756  310.627   19.560 38.91397 29.25617 
1 1 1  -14    4    7 o  196.999   10.947   50.700   5.5638   44.514   7.8359   56.989   7.9014  183.469   16.670  208.198   14.747 -24.72878 22.25685 
1 1 1  -14    4    8 o  106.995   23.106   15.771   6.2165   11.970   14.148   16.681   6.9204  103.447   38.893  109.743   24.914 -6.296585 46.18830 
1 1 1  -14    4    9 o  131.599   19.793   23.360   6.5381   41.340   15.563   19.507   7.2047  170.090   36.423  118.922   24.212 51.16767 43.73588 
1 1 1  -14    4   10 o  224.705   10.968   65.828   6.3839   72.266   9.2558   59.986   8.8165  234.222   15.341  213.120   16.089 21.10236 22.23059 
1 1 1  -14    4   11 o  254.976   10.700   84.764   7.0668   81.460   9.9494   88.128   10.039  248.583   15.529  258.729   15.045 -10.14645 21.62192 
1 1 1  -14    4   12 o  112.359   20.137   17.233   5.6455   26.560   8.2212   8.9095   7.7662  139.062   23.671   84.123   29.181 54.93956 37.57476 
1 1 1  -14    4   13 o  126.324   19.546   21.646   6.1892   19.084   7.7069   26.300   10.387  116.642   26.154  136.041   30.257 -19.39838 39.99398 
1 1 1  -14    4   14 o  290.378   10.546  110.064   7.9323  104.501   10.944  116.221   11.513  281.422   15.068  296.840   15.022 -15.41821 21.27716 
1 1 1  -14    4   15 o  378.232   15.007  188.417   14.703  175.600   22.413  198.100   19.481  359.685   24.197  385.127   19.592 -25.44141 31.13417 
1 1 1  -14    4   16 o  267.123   10.892   93.288   7.5364   82.473   10.591  104.383   10.727  249.146   16.504  281.089   14.784 -31.94255 22.15751 
1 1 1  -14    4   17 o   64.792   23.568   4.8301   5.1209   2.4624   7.0381   7.4936   7.4649   64.325   26.396   78.701   28.482 -14.37611 38.83232 
1 1 1  -14    4   18 o   31.697   15.731 -11.6056   4.9370  -6.1133   6.6459 -18.3690   7.3750   46.693   21.876   37.750   18.815 8.943493 28.85438 
1 1 1  -14    4   19 o  151.359   15.912   30.708   6.1452   23.854   8.3065   38.996   9.1334  129.711   25.631  168.654   21.387 -38.94240 33.38228 
1 1 1  -14    4   20 o  413.225   10.201  223.571   10.919  226.829   15.578  220.425   15.308  413.928   14.529  408.072   14.482 5.856476 20.51435 
1 1 1  -14    4   21 o  339.119   10.865  150.952   9.5438  139.128   13.500  162.767   13.494  322.987   16.136  350.108   14.880 -27.12051 21.94925 
1 1 1  -14    4   22 o   62.336   24.844   3.3540   6.0319   1.7182   8.4659   5.0406   8.5964   66.455   28.225   73.806   29.576 -7.350822 40.88247 
1 1 1  -14    4   23 o   74.048   27.599   6.6617   7.0942   13.183   8.6654  -6.5920   12.354   94.750   30.814   65.970   30.540 28.77943 43.38415 
1 1 1  -14    4   24 o  101.081   32.142   15.558   9.4669   15.110   15.583   15.820   11.918  103.030   40.280  102.147   36.100 0.8835449 54.08968 
1 1 1  -14    4   25 o   82.639   25.560   9.9521   6.0284   6.8060   8.3239   13.422   8.7423   76.049   29.520   94.302   30.964 -18.25352 42.78096 
1 1 1  -14    4   26 o  154.662   16.951   32.893   6.6798   44.485   9.3611   20.866   9.5347  177.715   20.725  115.125   31.196 62.58978 37.45287 
1 1 1  -14    4   27 o   71.161   25.620   6.8045   6.0294   0.5710   8.0991   14.554   9.0304   61.477   26.859   96.320   31.462 -34.84303 41.36791 
1 1 1  -14    4   28 o  123.437   20.945   21.944   6.4574   19.216   8.8580   25.038   9.4336  109.801   30.201  126.306   29.387 -16.50478 42.13862 
1 1 1  -14    4   29 o   87.678   26.620   11.840   6.5766   10.675   9.1818   13.067   9.4243   84.670   31.430   90.901   32.104 -6.230736 44.92773 
1 1 1  -14    4   30 o   48.074   22.104  -3.0155   6.3150   1.3818   8.8102  -7.6620   9.0563   63.802   27.941   52.122   24.755 11.67987 37.32973 
1 1 1  -14    4   31 o   55.259   23.873   1.1333   6.2508  -7.3653   8.1872   13.011   9.6788   49.106   23.384   88.940   32.394 -39.83364 39.95222 
1 1 1  -14    4   32 o   56.756   26.199  -2.8730   8.9948   6.0370   11.067 -20.2100   15.438   74.663   32.004   58.313   28.732 16.34962 43.00905 
1 1 1  -14    4   33 o  174.825   29.637   51.030   12.942   33.380   20.446   62.830   16.717  113.555   45.574  184.375   36.295 -70.82005 58.26102 
1 1 1  -14    4   34 o  146.768   21.508   32.761   7.9343   18.706   11.271   46.568   11.171   97.063   35.017  169.535   26.290 -72.47279 43.78756 
1 1 1  -14    4   35 o  131.313   25.604   28.310   8.3959   23.358   11.580   33.798   12.190  105.784   35.662  130.597   35.226 -24.81320 50.12658 
1 1 1  -14    4   36 o   75.726   28.407   9.9677   7.5390   9.4700   11.282   10.369   10.134   75.627   32.362   76.807   31.614 -1.179626 45.24076 
1 1 1  -14    4   37 o   59.106   26.134   2.6552   7.8812  -3.0667   11.398   7.8962   10.909   58.676   27.840   71.646   31.241 -12.97044 41.84555 
1 1 1  -14    4   38 f   70.116   28.651   8.5253   8.2481   2.4546   11.765   14.394   11.567   63.954   29.676   80.930   33.585 -16.97671 44.81771 
1 1 1  -14    4   39 f   53.725   24.767   0.1822   7.9994   7.4854   11.244  -7.3024   11.383   68.116   30.594   52.983   25.801 15.13248 40.02103 
1 1 1  -14    4   40 o   85.404   33.705   19.083   11.001   17.560   18.263   19.950   13.782   75.738   35.727   81.900   35.415 -6.162285 50.30503 
1 1 1  -14    5    1 o  150.983   11.486   29.860   4.4583   30.650   11.786   29.728   4.8161  148.100   31.681  150.496   12.467 -2.395737 34.04541 
1 1 1  -14    5    2 o  183.918   10.999   44.193   5.2161   55.270   13.632   42.293   5.6457  201.905   26.722  179.725   12.199 22.18008 29.37472 
1 1 1  -14    5    3 o  407.704   8.8949  216.030   9.3937  218.474   13.406  213.672   13.167  409.284   12.645  404.780   12.557 4.503876 17.82104 
1 1 1  -14    5    4 o  138.235   12.253   25.106   4.3418   26.453   5.9019   23.518   6.4099  141.142   16.452  132.349   19.263 8.793213 25.33188 
1 1 1  -14    5    5 f  490.190   9.1476  312.403   11.615  313.977   16.582  310.887   16.275  490.451   13.053  488.083   12.873 2.367523 18.33226 
1 1 1  -14    5    6 o  285.569   11.813  106.321   8.7380  116.800   18.372  103.257   9.9335  295.297   24.232  281.115   13.642 14.18109 27.80770 
1 1 1  -14    5    7 o  377.164   12.933  185.766   12.635   0.0000   0.0000  185.766   12.635  ?   ?   377.164   12.933 0.000000 12.93332 
1 1 1  -14    5    8 o  454.822   9.3706  269.138   11.040  260.276   15.775  277.644   15.455  446.139   13.651  461.007   12.942 -14.86737 18.81074 
1 1 1  -14    5    9 o  196.576   14.267   50.860   7.2150   35.740   15.546   55.011   8.1454  156.985   38.519  204.190   15.516 -47.20541 41.52657 
1 1 1  -14    5   10 o  245.115   13.644   78.885   8.6288   74.700   18.857   79.993   9.7045  231.470   32.333  246.415   15.279 -14.94545 35.76114 
1 1 1  -14    5   11 o  151.003   19.187   30.643   7.3356   23.260   17.401   32.239   8.0895  128.595   43.714  154.488   20.739 -25.89336 48.38369 
1 1 1  -14    5   12 o  227.869   14.364   68.407   8.4352   62.100   11.277   76.420   12.710  215.173   20.479  238.773   20.756 -23.59969 29.15849 
1 1 1  -14    5   13 o   40.016   18.656  -4.2575   4.7375  -5.5939   6.4015  -2.6392   7.0442   46.541   21.694   54.251   24.301 -7.709858 32.57584 
1 1 1  -14    5   14 o  245.614   11.252   78.857   7.1588   82.950   10.270   74.989   9.9841  250.278   15.925  237.789   16.308 12.48955 22.79353 
1 1 1  -14    5   15 o  147.477   26.934   30.530   9.9098  -8.4390   15.968   54.940   12.638   76.483   35.160  199.866   24.955 -123.3830 43.11591 
1 1 1  -14    5   16 o   96.852   22.026   13.100   5.4010   17.000   7.6803   9.2845   7.5968  109.231   27.238   84.275   28.882 24.95589 39.69958 
1 1 1  -14    5   17 f  298.177   10.677  116.300   8.2469  118.773   11.766  113.912   11.563  299.447   15.219  293.215   15.277 6.231720 21.56354 
1 1 1  -14    5   18 o  130.430   18.292   23.117   6.0100   17.872   8.2797   28.959   8.7375  111.234   28.582  143.951   24.298 -32.71639 37.51440 
1 1 1  -14    5   19 o  234.975   12.276   72.782   7.4457   87.784   10.565   57.977   10.495  256.614   15.973  206.686   19.847 49.92836 25.47663 
1 1 1  -14    5   20 o  298.825   11.097  117.202   8.5896  104.814   12.120  129.704   12.176  279.758   16.802  312.638   15.035 -32.88019 22.54713 
1 1 1  -14    5   21 o  290.662   11.449  111.118   8.6197  108.717   12.467  113.318   11.931  284.446   16.998  291.083   15.884 -6.637512 23.26448 
1 1 1  -14    5   22 o  258.281   13.460   88.647   8.9738   88.680   14.212   88.625   11.572  253.165   21.888  255.997   17.558 -2.832230 28.05971 
1 1 1  -14    5   23 o   78.705   25.750   8.6862   6.0482   19.685   8.3896  -3.2163   8.7273  114.810   28.374   58.526   26.556 56.28432 38.86220 
1 1 1  -14    5   24 o  181.934   23.134   46.978   10.655   57.040   17.528   41.080   13.420  188.818   37.160  163.004   32.918 25.81421 49.64296 
1 1 1  -14    5   25 o   86.419   25.682   11.033   6.1697   18.938   8.6391   2.8046   8.8142  110.918   29.541   68.329   28.898 42.58928 41.32490 
1 1 1  -14    5   26 o  116.983   21.864   19.748   6.3815   28.068   8.8514   10.743   9.2089  137.489   25.801   86.421   31.579 51.06869 40.77946 
1 1 1  -14    5   27 o  219.711   13.777   65.089   7.8010   70.720   11.097   59.587   10.969  224.955   19.228  204.997   20.952 19.95837 28.43756 
1 1 1  -14    5   28 o   61.471   24.890   3.5044   6.1573   0.4857   8.3272   7.1456   9.1456   61.590   27.063   76.705   30.585 -15.11456 40.83950 
1 1 1  -14    5   29 o   88.059   27.171   12.041   6.8171   15.371   9.5411   8.5689   9.7436   96.791   32.371   80.090   31.684 16.70100 45.29679 
1 1 1  -14    5   30 o  105.802   25.706   17.400   6.9754   16.961   9.5584   17.901   10.202  100.247   32.342  102.176   33.445 -1.928955 46.52477 
1 1 1  -14    5   31 o  150.972   19.725   32.978   7.5295   33.098   10.785   32.865   10.516  141.775   30.288  142.012   29.550 -0.2368622 42.31523 
1 1 1  -14    5   32 o   48.681   23.066  -6.0272   7.7710  -4.6389   9.3464  -9.1360   13.986   55.394   25.949   62.514   29.983 -7.120029 39.65289 
1 1 1  -14    5   33 o   72.333   30.797   6.3023   10.125   1.2120   17.540   8.8460   12.399   75.725   35.497   79.001   33.869 -3.276657 49.06296 
1 1 1  -14    5   34 o  138.821   23.376   30.219   8.1069   38.623   11.433   21.719   11.497  148.250   30.779  103.334   35.525 44.91638 47.00394 
1 1 1  -14    5   35 o  103.138   28.202   18.755   7.7509   12.602   11.031   24.756   10.893   82.067   33.285  110.783   34.375 -28.71566 47.84868 
1 1 1  -14    5   36 o   53.474   24.486  -0.7281   7.6410   4.8050   10.485  -6.9939   11.158   67.286   29.928   55.058   26.503 12.22820 39.97665 
1 1 1  -14    5   37 o  109.029   28.216   21.642   8.0300   17.122   10.932   26.940   11.834   88.371   33.960  109.092   36.036 -20.72095 49.51606 
1 1 1  -14    5   38 o   51.523   24.199  -2.3497   8.2185   8.8476   11.421 -14.3732   11.835   71.453   31.534   49.699   24.611 21.75407 40.00113 
1 1 1  -14    5   39 o   73.612   29.628   11.032   8.6685   4.6699   12.285   17.340   12.233   64.948   30.201   82.346   34.386 -17.39779 45.76565 
1 1 1  -14    6    1 o  353.357   8.9496  162.306   8.1916  152.200   18.656  164.719   9.1174  338.654   21.378  355.830   9.8919 -17.17654 23.55524 
1 1 1  -14    6    2 o  304.493   9.3715  120.567   7.3916  104.100   17.718  124.037   8.1331  278.577   24.814  308.733   10.170 -30.15555 26.81740 
1 1 1  -14    6    3 o  421.319   9.1810  230.807   10.020  241.500   22.774  228.240   11.157  427.613   20.561  418.760   10.286 8.853241 22.99041 
1 1 1  -14    6    4 o  154.991   15.433   31.766   6.1136   21.040   14.151   34.227   6.7788  123.210   39.311  160.708   16.519 -37.49738 42.64055 
1 1 1  -14    6    5 o  251.490   9.8650   82.306   6.4264   87.590   9.0247   76.871   9.1532  258.555   13.522  241.919   14.676 16.63593 19.95585 
1 1 1  -14    6    6 o  248.971   12.701   81.144   8.1636   74.900   17.402   82.905   9.2439  233.833   29.380  251.322   14.258 -17.48843 32.65673 
1 1 1  -14    6    7 o  290.519   9.9259  109.879   7.4695  113.136   10.688  106.769   10.443  294.038   14.032  285.626   14.116 8.411591 19.90369 
1 1 1  -14    6    8 o  488.278   9.4799  310.311   11.990  317.930   17.342  303.335   16.595  492.961   13.581  481.611   13.303 11.34927 19.01086 
1 1 1  -14    6    9 o  237.238   10.957   73.400   6.7334   67.545   9.5140   79.276   9.5311  226.062   16.358  245.355   15.070 -19.29257 22.24136 
1 1 1  -14    6   10 o  167.335   16.314   37.184   6.9815   22.970   16.419   40.321   7.7136  127.452   42.463  174.043   17.341 -46.59126 45.86723 
1 1 1  -14    6   11 o  108.327   32.593   16.520   9.8920   0.0000   0.0000   16.520   9.8920  ?   ?   108.327   32.593 0.000000 32.59345 
1 1 1  -14    6   12 o  150.068   18.581   30.273   7.0686   26.020   16.614   31.213   7.8108  133.171   42.605  151.872   20.368 -18.70071 47.22325 
1 1 1  -14    6   13 o  195.536   12.515   50.277   6.3056   40.535   8.8700   60.231   8.9656  173.329   20.131  213.003   16.375 -39.67393 25.95011 
1 1 1  -14    6   14 o  289.574   10.769  109.567   8.0773  105.157   11.361  114.074   11.486  281.913   15.619  293.841   15.142 -11.92728 21.75405 
1 1 1  -14    6   15 o   64.320   26.113   2.7766   6.7968   5.6620   16.073   2.1483   7.5004   93.944   39.338   65.298   27.067 28.64642 47.75035 
1 1 1  -14    6   16 o   98.593   21.602   13.560   5.3643   9.4064   7.3600   18.268   7.8349   84.199   28.430  113.153   27.090 -28.95392 39.27034 
1 1 1  -14    6   17 o  194.011   12.963   49.706   6.4771   49.704   9.1059   49.709   9.2149  192.112   18.528  192.027   18.766 0.8438110E-01 26.37156 
1 1 1  -14    6   18 o  203.292   13.359   54.679   6.9958   44.477   9.8508   65.059   9.9368  180.185   21.532  220.199   17.568 -40.01457 27.78962 
1 1 1  -14    6   19 o   56.223   22.825   2.1177   5.1928   0.7734   7.0493   3.7127   7.6784   60.168   25.660   68.826   27.821 -8.657921 37.84710 
1 1 1  -14    6   20 o  256.321   11.696   86.414   7.7658   83.672   11.083   89.059   10.885  249.453   17.258  257.855   16.381 -8.402008 23.79488 
1 1 1  -14    6   21 f  112.817   21.339   17.893   6.0075   14.299   8.3608   21.730   8.6378   98.646   30.029  121.680   27.988 -23.03382 41.04977 
1 1 1  -14    6   22 f  144.401   22.901   29.467   8.2800   29.220   10.734   29.830   13.011  139.534   30.546  137.565   36.070 1.968933 47.26636 
1 1 1  -14    6   23 o  120.514   21.476   20.575   6.4582   9.0123   8.7292   34.556   9.5992   82.833   30.666  155.051   24.732 -72.21846 39.39616 
1 1 1  -14    6   24 o   90.351   33.063   11.611   10.100   25.480   16.081   2.5760   12.980  121.942   42.009   78.246   34.099 43.69538 54.10598 
1 1 1  -14    6   25 o   88.905   25.589   11.767   6.2110   17.675   8.5723   5.2375   9.0115  106.773   29.839   73.539   29.987 33.23377 42.30325 
1 1 1  -14    6   26 o  101.382   24.324   15.309   6.3060   8.7583   8.7488   22.393   9.0975   80.666   30.527  119.875   29.499 -39.20941 42.45089 
1 1 1  -14    6   27 f  146.044   18.364   29.877   6.7934   36.444   9.7595   23.704   9.4620  156.967   24.829  122.405   30.061 34.56284 38.98938 
1 1 1  -14    6   28 o   37.260   18.257 -10.3860   5.9614 -11.2766   8.0740  -9.3185   8.8393   45.235   21.960   49.983   23.937 -4.748272 32.48382 
1 1 1  -14    6   29 o   55.292   23.852   0.9898   6.2213  -0.7508   8.9162   2.6414   8.6849   60.755   27.268   65.857   28.293 -5.102444 39.29475 
1 1 1  -14    6   30 o  144.045   20.548   30.153   7.4496   34.307   10.187   25.378   10.922  147.735   27.637  120.971   33.636 26.76398 43.53384 
1 1 1  -14    6   31 o   71.448   27.877   6.9214   7.4523   18.240   11.630  -0.9635   9.7070   99.813   35.619   61.522   27.950 38.29119 45.27625 
1 1 1  -14    6   32 o   37.333   18.503 -13.3538   6.7420 -25.2347   9.0868   1.1964   10.056   38.283   19.324   64.640   28.989 -26.35635 34.83939 
1 1 1  -14    6   33 o   99.103   36.167   19.777   12.073   41.450   19.390   6.0530   15.429  126.249   45.870   77.607   35.251 48.64182 57.85037 
1 1 1  -14    6   34 o  108.881   28.419   20.630   8.1008   19.689   11.405   21.587   11.509   97.966   35.239  102.289   35.521 -4.322517 50.03496 
1 1 1  -14    6   35 o   47.975   22.686  -4.5282   7.4461   1.0423   10.186 -10.9201   10.912   62.112   28.378   51.600   25.157 10.51208 37.92347 
1 1 1  -14    6   36 o  145.079   23.061   33.810   8.3761   44.786   11.903   23.042   11.789  156.773   30.408  101.246   35.890 55.52760 47.04006 
1 1 1  -14    6   37 o   51.303   23.844  -1.7140   7.6421  -4.2139   10.506   1.0953   11.137   55.246   26.358   62.014   28.809 -6.767902 39.04745 
1 1 1  -14    6   38 o   51.638   23.667  -0.1505   7.1616  -0.5741   10.312   0.2442   9.9536   57.694   27.100   58.014   27.046 -0.3205185 38.28674 
1 1 1  -14    6   39 o   85.263   29.563   15.380   7.9703   16.521   10.630   13.914   12.046   82.277   32.917   76.154   33.019 6.123100 46.62422 
1 1 1  -14    7    1 o  212.117   10.075   58.565   5.5357   57.240   14.880   58.778   5.9638  204.292   28.927  212.140   10.890 -7.848221 30.90878 
1 1 1  -14    7    2 o   60.022   20.286   4.4546   3.7473   29.860   12.948   2.1323   3.9148  144.803   34.925   51.516   20.176 93.28670 40.33419 
1 1 1  -14    7    3 o  481.441   9.3076  301.507   11.607  301.600   25.625  301.483   13.020  477.430   20.721  481.151   10.446 -3.720520 23.20531 
1 1 1  -14    7    4 o   80.913   21.081   8.9907   4.4628   2.6460   13.271   9.7996   4.7388   84.655   35.612   84.390   21.590 0.2650909 41.64579 
1 1 1  -14    7    5 o  143.190   26.628   28.334   9.5131   24.950   14.795   30.720   12.422  132.100   39.886  147.107   33.365 -15.00702 52.00158 
1 1 1  -14    7    6 o  361.273   9.3760  169.848   8.7741  179.455   12.733  161.163   12.107  370.467   13.269  351.068   13.314 19.39893 18.79706 
1 1 1  -14    7    7 o  205.196   11.154   55.075   5.9064   51.788   8.3214   58.413   8.3848  197.821   16.387  210.400   15.494 -12.57916 22.55219 
1 1 1  -14    7    8 o   93.824   20.068   12.095   4.7296   2.6798   6.5673   22.239   6.8170   63.743   25.742  127.747   21.355 -64.00398 33.44685 
1 1 1  -14    7    9 o  153.653   13.652   31.164   5.3770   26.382   7.6139   35.922   7.5947  139.162   21.841  163.931   18.192 -24.76862 28.42517 
1 1 1  -14    7   10 o   79.603   24.298   8.5901   5.4685   11.680   7.1964   4.3680   8.4123   92.054   27.823   73.678   29.347 18.37577 40.44027 
1 1 1  -14    7   11 o   62.784   22.561   4.5509   4.6737   9.1222   6.0979  -1.9578   7.2762   82.155   25.756   56.460   25.030 25.69511 35.91506 
1 1 1  -14    7   12 o  184.128   16.494   45.108   7.7834   34.240   17.870   47.652   8.6467  150.167   43.457  188.857   17.889 -38.69048 46.99481 
1 1 1  -14    7   13 o  102.021   25.095   14.658   6.5859   12.210   16.948   15.093   7.1476  106.169   41.855  103.284   26.566 2.884422 49.57397 
1 1 1  -14    7   14 o  162.335   17.507   35.343   7.2452   31.441   8.6368   44.610   13.310  151.230   22.753  177.329   30.051 -26.09915 37.69260 
1 1 1  -14    7   15 o   71.627   26.204   5.9533   6.3436   10.800   16.493   5.1118   6.8722  102.380   40.987   70.565   26.971 31.81501 49.06548 
1 1 1  -14    7   16 o  179.175   13.401   42.473   6.1745   43.822   8.9377   41.242   8.5400  179.958   19.485  174.636   19.196 5.322067 27.35198 
1 1 1  -14    7   17 o   73.249   23.493   7.2304   5.0494   10.320   7.0011   3.8813   7.2895   86.390   27.659   68.292   27.281 18.09767 38.84964 
1 1 1  -14    7   18 o  210.885   12.912   58.790   7.0195   61.005   10.178   56.780   9.6937  212.536   18.678  205.096   18.444 7.439880 26.24939 
1 1 1  -14    7   19 o  193.635   13.539   49.769   6.7482   53.198   9.5875   46.403   9.4998  197.999   18.924  184.209   20.243 13.78998 27.71100 
1 1 1  -14    7   20 o  191.720   14.201   48.999   7.0020   59.956   10.311   39.624   9.5384  209.830   19.184  168.736   22.375 41.09372 29.47297 
1 1 1  -14    7   21 o  105.865   26.609   16.420   7.2886   31.010   9.7452  -2.1030   10.980  146.378   26.685   67.748   30.344 78.62979 40.40865 
1 1 1  -14    7   22 o   77.822   25.874   8.4214   6.0976   11.199   8.9437   6.0086   8.3351   89.096   31.292   74.856   29.403 14.24046 42.93861 
1 1 1  -14    7   23 o   37.803   18.368  -9.0269   5.6830  -4.1088   7.6821 -14.9721   8.4463   53.071   24.394   44.114   21.639 8.957378 32.60827 
1 1 1  -14    7   24 o  112.394   34.433   20.293   10.970   8.4950   17.221   28.350   14.231   93.169   39.929  129.209   39.143 -36.04022 55.91483 
1 1 1  -14    7   25 o  170.823   16.426   39.970   7.1786   43.796   10.284   36.335   10.025  174.282   23.370  157.053   25.518 17.22963 34.60232 
1 1 1  -14    7   26 o   52.061   22.715   0.0093   5.7753   0.6658   8.1011  -0.6692   8.2357   61.540   26.875   59.644   26.527 1.896763 37.76186 
1 1 1  -14    7   27 o   65.540   25.455   4.9681   6.1918   3.5517   8.7372   6.3971   8.7759   68.394   28.840   74.422   29.862 -6.028008 41.51453 
1 1 1  -14    7   28 o   92.516   26.967   13.337   6.8591   12.973   9.4561   13.741   9.9643   90.459   32.135   92.477   32.973 -2.017914 46.04205 
1 1 1  -14    7   29 f  318.626   17.396  141.526   14.303   0.0000   0.0000  141.526   14.303  ?   ?   318.626   17.396 0.000000 17.39564 
1 1 1  -14    7   30 o  167.026   17.757   39.477   7.5645   25.148   10.596   54.370   10.802  120.472   32.988  192.005   22.125 -71.53270 39.72043 
1 1 1  -14    7   31 o  258.713   18.317   95.499   12.196  103.900   16.767   86.060   17.772  259.537   25.260  227.501   30.963 32.03661 39.95985 
1 1 1  -14    7   32 o  114.600   26.823   21.501   7.8215   30.939   11.045   12.007   11.078  131.690   32.562   84.130   33.623 47.55978 46.80584 
1 1 1  -14    7   33 o  212.300   21.088   67.892   11.443   43.150   20.994   78.351   13.649  123.025   47.113  223.835   23.911 -100.8097 52.83335 
1 1 1  -14    7   34 o  109.175   27.949   20.714   7.9375   8.0359   10.798   35.621   11.708   73.995   31.662  137.367   33.260 -63.37257 45.92038 
1 1 1  -14    7   35 o   72.564   28.600   8.7705   7.9118  -7.1043   11.440   23.324   10.954   55.699   26.818  105.301   34.664 -49.60147 43.82656 
1 1 1  -14    7   36 o   46.357   22.221  -6.0011   7.6579 -11.6847   11.116  -0.8680   10.564   50.723   24.870   59.341   27.731 -8.618168 37.24915 
1 1 1  -14    7   37 o   68.502   27.826   7.8960   7.7225   10.108   10.492   5.2814   11.408   73.652   31.355   66.952   30.372 6.700348 43.65323 
1 1 1  -14    7   38 o   75.613   29.526   11.557   8.3651   6.0611   11.757   17.190   11.904   66.699   30.479   83.362   34.282 -16.66365 45.87209 
1 1 1  -14    7   39 o   65.211   27.831   7.5383   8.3036   11.946   12.087   3.5994   11.427   72.352   32.160   61.818   28.872 10.53435 43.21864 
1 1 1  -14    8    1 o  253.298   9.6278   83.508   6.3170   97.530   16.273   81.021   6.8545  269.515   23.546  249.364   10.612 20.15059 25.82649 
1 1 1  -14    8    2 o  263.022   9.7905   90.062   6.6703  102.200   17.202   87.914   7.2365  275.573   24.350  259.729   10.756 15.84439 26.61962 
1 1 1  -14    8    3 o  426.692   9.2997  236.916   10.279  270.300   24.527  229.804   11.321  451.450   20.975  419.990   10.406 31.45966 23.41393 
1 1 1  -14    8    4 o  174.011   12.234   39.734   5.4792   32.390   15.890   40.725   5.8372  148.918   40.240  176.053   12.890 -27.13539 42.25369 
1 1 1  -14    8    5 o   67.221   28.968  -0.1237   9.1579   1.7890   14.412  -1.4190   11.860   85.995   36.682   74.046   32.423 11.94897 48.95743 
1 1 1  -14    8    6 o  299.737   11.881  117.327   9.2245  108.900   19.509  119.754   10.469  282.862   26.953  302.490   13.361 -19.62793 30.08249 
1 1 1  -14    8    7 o  105.052   16.479   14.861   4.3366   13.009   6.2183   16.615   6.0508   96.621   24.739  109.825   22.036 -13.20358 33.12997 
1 1 1  -14    8    8 o  138.746   14.368   25.518   5.0890   31.260   7.3926   20.346   7.0161  152.485   19.138  121.442   23.149 31.04269 30.03532 
1 1 1  -14    8    9 o  267.178   12.727   93.447   8.8080   89.130   12.354   97.910   12.561  258.774   18.554  271.502   17.963 -12.72833 25.82450 
1 1 1  -14    8   10 o  122.254   16.295   20.041   5.0317   22.620   7.1930   17.570   7.0412  128.230   22.475  112.044   24.906 16.18639 33.54771 
1 1 1  -14    8   11 o  334.119   13.967  146.649   12.088   0.0000   0.0000  146.649   12.088  ?   ?   334.119   13.967 0.000000 13.96741 
1 1 1  -14    8   12 o  139.936   15.834   26.159   5.6385   14.834   8.1162   36.725   7.8391  102.249   29.197  165.236   18.641 -62.98721 34.64033 
1 1 1  -14    8   13 o  236.687   14.550   74.058   8.8775   83.190   20.655   71.989   9.8320  240.708   34.079  232.702   16.417 8.006439 37.82699 
1 1 1  -14    8   14 o   87.708   32.625   9.1354   9.9032   3.5030   17.036   12.010   12.171   92.613   39.703   97.945   36.220 -5.332458 53.74224 
1 1 1  -14    8   15 o  494.012   9.9750  318.897   12.764  316.613   18.777  320.859   17.404  489.645   14.805  493.653   13.611 -4.008759 20.11050 
1 1 1  -14    8   16 o   50.325   21.431   0.3341   4.9043  -0.6504   7.1814   1.1946   6.7136   58.005   25.318   60.017   25.293 -2.012421 35.78740 
1 1 1  -14    8   17 o  117.182   19.356   18.887   5.6701   13.213   8.2679   23.925   7.7910   96.197   29.963  130.446   23.940 -34.24883 38.35227 
1 1 1  -14    8   18 f  403.052   10.276  212.814   10.729  215.724   15.591  210.196   14.786  403.268   14.926  398.439   14.326 4.829315 20.68860 
1 1 1  -14    8   19 o   51.071   22.028  -0.0105   5.3047  -1.4094   6.9951   1.8828   8.1379   55.430   24.560   65.955   27.824 -10.52506 37.11251 
1 1 1  -14    8   20 o  115.649   21.867   18.873   6.3106   22.570   9.3464   15.776   8.5552  123.133   29.657  103.045   30.141 20.08870 42.28449 
1 1 1  -14    8   21 o  135.042   21.579   25.633   7.2943   24.523   9.3924   27.320   11.579  128.278   28.953  132.820   33.623 -4.541687 44.37154 
1 1 1  -14    8   22 o   77.076   25.489   8.3174   5.9202   12.559   8.3892   4.1097   8.3559   92.247   30.334   70.325   28.798 21.92246 41.82693 
1 1 1  -14    8   23 o  152.168   17.119   31.767   6.6307   31.266   9.2906   32.287   9.4663  146.287   25.442  148.669   25.500 -2.381744 36.02103 
1 1 1  -14    8   24 o   59.716   25.894   0.6610   7.4092   0.2459   16.265   0.7697   8.3228   81.022   36.555   62.857   27.350 18.16486 45.65441 
1 1 1  -14    8   25 o   44.333   20.586  -3.9248   5.6762  -6.4628   7.8470  -1.1393   8.2207   49.945   23.516   58.934   26.336 -8.989307 35.30725 
1 1 1  -14    8   26 o  133.782   27.616   27.450   9.2528   0.0000   0.0000   27.450   9.2528  ?   ?   133.782   27.616 0.000000 27.61627 
1 1 1  -14    8   27 o  117.004   22.695   20.208   6.6300   25.637   9.3440   14.703   9.4088  127.587   28.939   95.372   32.145 32.21509 43.25201 
1 1 1  -14    8   28 o  101.162   26.378   15.968   6.9835   13.929   9.5508   18.311   10.237   92.500   32.345  103.825   33.468 -11.32493 46.54373 
1 1 1  -14    8   29 o  198.025   15.661   54.238   7.9677   52.502   11.036   56.128   11.515  188.047   23.146  194.269   23.350 -6.221603 32.87836 
1 1 1  -14    8   30 o   79.021   29.141   9.6264   7.8671   6.0230   11.950   12.383   10.452   76.341   32.994   86.816   33.243 -10.47501 46.83675 
1 1 1  -14    8   31 o  135.783   25.850   29.217   8.7597   20.732   10.554   48.010   15.706  105.941   33.963  157.520   38.757 -51.57938 51.53260 
1 1 1  -14    8   32 o   76.057   30.107   8.9947   8.8026   9.7984   10.637   7.2480   15.681   78.937   32.428   79.303   35.826 -0.3655472 48.32220 
1 1 1  -14    8   33 o  122.597   28.257   25.760   8.7892   26.580   17.049   25.464   10.257  102.969   41.513  116.228   32.697 -13.25908 52.84341 
1 1 1  -14    8   34 o   53.638   24.518  -0.8043   7.6151  -6.9701   10.736   5.4382   10.803   54.540   26.188   69.302   30.622 -14.76182 40.29315 
1 1 1  -14    8   35 o  100.805   29.418   18.946   8.1579   19.749   11.486   18.128   11.589   94.466   35.136   90.783   34.946 3.682648 49.55571 
1 1 1  -14    8   36 o   71.926   28.632   9.0892   8.0024   11.847   11.011   6.0017   11.650   77.485   32.509   68.795   30.998 8.690125 44.91863 
1 1 1  -14    8   37 o  128.205   26.912   29.398   8.6526   45.482   12.494   14.575   11.994  149.904   33.065   80.025   33.770 69.87870 47.26232 
1 1 1  -14    8   38 f   67.293   27.988   8.1462   8.0583   8.8071   11.366   7.4783   11.426   69.294   30.966   67.522   30.536 1.771820 43.48960 
1 1 1  -14    8   39 o   61.531   27.743   5.4034   9.3507   21.580   14.482  -6.1625   12.245   82.052   35.881   53.644   26.260 28.40868 44.46326 
1 1 1  -14    9    1 o  112.619   14.950   16.921   4.2534   9.2100   13.853   17.723   4.4693   96.930   37.955  115.213   15.358 -18.28368 40.94471 
1 1 1  -14    9    2 o  221.426   10.646   63.925   6.1058   68.200   15.714   63.165   6.6266  222.958   27.813  219.652   11.689 3.305832 30.16967 
1 1 1  -14    9    3 o   86.506   19.221   10.279   4.1951   26.660   15.449   8.9753   4.3589  135.390   40.732   80.703   20.739 54.68622 45.70780 
1 1 1  -14    9    4 o  159.232   18.581   33.951   7.5198   25.700   15.476   36.501   8.6038  133.092   40.918  164.574   20.636 -31.48260 45.82737 
1 1 1  -14    9    5 o  232.920   30.420   75.320   17.915   75.320   17.915   0.0000   0.0000  232.920   30.420  ?   ?  0.000000 30.41984 
1 1 1  -14    9    6 o  290.596   10.435  110.135   7.8547  115.400   19.780  109.149   8.5585  290.955   26.538  289.093   11.429 1.862061 28.89402 
1 1 1  -14    9    7 o  116.727   18.990   18.497   5.5445   0.0000   0.0000   18.497   5.5445  ?   ?   116.727   18.990 0.000000 18.99044 
1 1 1  -14    9    8 o  175.181   14.228   40.553   6.4004   33.570   9.0185   47.640   9.0848  156.733   22.889  188.628   18.846 -31.89546 29.64895 
1 1 1  -14    9    9 o  349.550   9.7752  159.335   8.8508  151.354   12.673  166.935   12.366  339.324   14.419  356.726   13.383 -17.40164 19.67237 
1 1 1  -14    9   10 o   87.075   21.230   10.540   4.7452   12.122   6.8567   9.0868   6.5738   93.064   26.915   82.429   26.840 10.63478 38.01082 
1 1 1  -14    9   11 o  245.296   11.200   78.696   7.1166   81.527   10.429   76.229   9.7358  247.809   16.339  239.792   15.762 8.016541 22.70216 
1 1 1  -14    9   12 o  265.097   10.972   91.918   7.5341   90.232   11.013   93.401   10.329  260.608   16.398  265.676   15.072 -5.067993 22.27239 
1 1 1  -14    9   13 o  224.463   11.750   66.202   6.8082   59.753   10.033   71.705   9.2686  210.958   18.549  232.431   15.483 -21.47343 24.16218 
1 1 1  -14    9   14 o  235.490   20.678   75.095   12.485   68.840   19.127   79.740   16.481  216.814   35.269  239.113   27.087 -22.29906 44.47058 
1 1 1  -14    9   15 o  191.439   16.646   49.056   8.1722   58.050   19.058   47.030   9.0462  195.684   38.967  186.512   18.989 9.172165 43.34793 
1 1 1  -14    9   16 o   89.883   26.827   11.452   6.7214   8.4120   18.066   11.940   7.2412   99.878   41.754   91.722   27.952 8.155647 50.24621 
1 1 1  -14    9   17 o  173.828   13.858   40.184   6.1880   34.734   9.0723   44.926   8.4620  158.026   22.825  182.214   18.171 -24.18799 29.17457 
1 1 1  -14    9   18 o  275.480   11.445   99.782   8.1666   96.024   11.762  103.280   11.347  267.313   17.077  277.966   15.825 -10.65225 23.28203 
1 1 1  -14    9   19 o  184.226   14.068   45.287   6.6626   40.076   9.6115   50.108   9.2440  169.451   22.450  191.669   18.864 -22.21811 29.32329 
1 1 1  -14    9   20 o   52.002   22.894  -0.8449   5.9841  -2.4590   7.9077   1.3180   9.1540   56.835   25.580   67.506   29.026 -10.67060 38.68894 
1 1 1  -14    9   21 o   46.012   20.745  -2.0299   5.2277   1.3883   7.3167  -5.5946   7.4719   61.501   26.183   50.246   23.427 11.25471 35.13370 
1 1 1  -14    9   22 o   75.688   25.428   7.9971   5.8875   8.7631   8.2048   7.1841   8.4530   80.971   29.775   77.327   29.823 3.643730 42.14201 
1 1 1  -14    9   23 o  116.090   25.591   20.037   7.4881   26.503   9.1241   6.6970   13.106  132.805   27.431   84.140   35.392 48.66425 44.77813 
1 1 1  -14    9   24 o  171.712   16.018   40.328   7.0424   38.479   10.151   42.043   9.7785  161.844   25.021  171.055   22.625 -9.210876 33.73272 
1 1 1  -14    9   25 o  124.535   21.027   22.316   6.5413   16.811   9.0293   28.396   9.4895  102.459   31.210  136.100   27.856 -33.64135 41.83313 
1 1 1  -14    9   26 o   75.144   25.965   8.1468   6.1459   7.7016   8.4917   8.6365   8.9064   76.807   29.816   79.614   30.639 -2.806412 42.75190 
1 1 1  -14    9   27 o  124.582   22.075   22.803   6.8630   14.221   9.4252   32.488   10.013   93.551   32.165  144.665   27.730 -51.11370 42.46756 
1 1 1  -14    9   28 o  111.983   24.271   19.116   6.8370   29.772   9.8403   9.1715   9.5062  136.727   28.699   80.318   31.444 56.40953 42.57198 
1 1 1  -14    9   29 o  127.933   22.644   24.549   7.2294   29.794   10.220   19.295   10.228  134.507   30.086  104.703   33.422 29.80391 44.96844 
1 1 1  -14    9   30 o  123.487   30.514   25.885   9.7040   29.240   12.673   21.130   15.087  123.903   36.805  102.130   39.715 21.77312 54.14725 
1 1 1  -14    9   31 f   74.806   27.705   8.7372   7.1264   8.6187   10.016   8.8586   10.142   76.721   31.486   77.304   31.700 -0.5827866 44.67950 
1 1 1  -14    9   32 o  111.374   30.519   22.210   9.0654   21.782   10.695   23.300   17.086  105.568   34.226   99.085   40.944 6.483360 53.36525 
1 1 1  -14    9   33 o  115.880   27.976   23.253   8.3019   20.085   11.822   26.335   11.661   97.230   35.742  112.706   35.656 -15.47533 50.48583 
1 1 1  -14    9   34 o   89.797   29.443   15.043   7.9058   11.499   10.765   19.192   11.648   78.757   32.518   93.679   35.277 -14.92113 47.97788 
1 1 1  -14    9   35 o   95.965   29.599   17.576   8.0905   26.683   11.291   7.9649   11.599  110.762   35.089   71.989   31.774 38.77291 47.33758 
1 1 1  -14    9   36 o   80.146   29.588   12.629   8.1147   17.933   11.583   7.5164   11.372   87.565   34.576   69.923   31.130 17.64170 46.52498 
1 1 1  -14    9   37 o  145.039   22.543   34.760   8.1944   39.355   11.131   29.322   12.108  140.778   31.330  108.790   36.467 31.98795 48.07721 
1 1 1  -14    9   38 o   68.817   28.552   9.2397   8.3570  -5.2057   11.337   26.431   12.367   53.589   26.016   97.540   36.424 -43.95175 44.76112 
1 1 1  -14   10    1 o  178.788   11.597   41.929   5.3418   47.160   14.755   41.140   5.7306  182.534   32.393  176.891   12.589 5.642303 34.75283 
1 1 1  -14   10    2 o  403.569   9.5280  212.182   9.9603  224.100   23.082  209.456   11.041  409.140   21.859  400.678   10.638 8.461700 24.31001 
1 1 1  -14   10    3 o  122.126   24.975   20.767   7.6341   2.1710   16.035   26.217   8.6810   89.972   38.543  137.485   25.309 -47.51307 46.10993 
1 1 1  -14   10    4 o  563.595   11.430  414.982   16.686  454.900   33.232  401.526   19.295  583.297   21.995  553.457   13.459 29.83978 25.78578 
1 1 1  -14   10    5 o  250.017   12.145   81.773   7.8651   0.0000   0.0000   81.773   7.8651  ?   ?   250.017   12.145 0.000000 12.14459 
1 1 1  -14   10    6 f   99.355   23.393   13.778   5.9207   0.0000   0.0000   13.778   5.9207  ?   ?    99.355   23.393 0.000000 23.39297 
1 1 1  -14   10    7 o  137.065   18.390   25.336   6.3646   32.130   17.462   24.295   6.8348  145.747   43.181  133.573   20.401 12.17476 47.75789 
1 1 1  -14   10    8 o   69.549   23.750   6.1076   5.1370 -10.4300   16.767   7.8207   5.3965   76.797   35.562   76.382   24.265 0.4154968 43.05212 
1 1 1  -14   10    9 o  280.847   13.094  103.519   9.5258   84.580   20.600  108.671   10.743  243.428   33.562  286.976   14.500 -43.54771 36.56051 
1 1 1  -14   10   10 o  207.562   11.877   56.612   6.3590   57.528   9.1945   55.772   8.8043  207.606   17.254  204.564   16.763 3.042145 24.05597 
1 1 1  -14   10   11 o   89.999   21.499   11.312   4.9432   12.458   6.8056   10.032   7.1918   93.933   26.706   86.006   28.077 7.926308 38.74935 
1 1 1  -14   10   12 o  165.367   13.724   36.238   5.8256   28.820   8.1219   44.098   8.3605  144.543   22.419  181.125   18.061 -36.58195 28.78861 
1 1 1  -14   10   13 o   41.015   19.587  -7.3809   5.8298  -3.6550   6.6818 -19.2600   11.931   50.574   23.059   54.162   26.384 -3.588387 35.04047 
1 1 1  -14   10   14 o  156.164   18.522   33.040   7.3462   27.040   17.471   34.328   8.0968  132.004   43.793  158.593   20.166 -26.58894 48.21321 
1 1 1  -14   10   15 o  355.854   14.427  167.507   13.298   0.0000   0.0000  167.507   13.298  ?   ?   355.854   14.427 0.000000 14.42657 
1 1 1  -14   10   16 o  219.672   15.505   64.427   8.7661   64.410   20.023   64.431   9.7503  204.461   39.233  218.868   17.340 -14.40709 42.89418 
1 1 1  -14   10   17 o  113.270   26.335   18.580   7.5803   18.010   18.753   18.691   8.2875  113.719   44.263  112.873   28.376 0.8461075 52.57803 
1 1 1  -14   10   18 o  148.658   16.173   29.868   6.1271   24.019   8.8917   35.157   8.4547  128.194   27.594  159.281   21.005 -31.08606 34.67890 
1 1 1  -14   10   19 o  134.343   20.607   25.176   6.9422   24.540   9.6095   25.870   10.040  128.163   29.551  131.337   30.150 -3.174911 42.21665 
1 1 1  -14   10   20 o  123.809   20.096   21.463   6.2238   18.268   8.8888   24.536   8.7173  109.619   30.295  129.052   26.947 -19.43326 40.54588 
1 1 1  -14   10   21 o  139.584   17.492   26.809   6.1856   33.123   8.8592   20.803   8.6403  152.238   23.199  117.206   28.691 35.03135 36.89698 
1 1 1  -14   10   22 o   54.466   22.967   1.3037   5.5411  -0.8711   7.8317   3.4837   7.8409   58.476   25.944   66.991   27.714 -8.514835 37.96265 
1 1 1  -14   10   23 o   73.216   31.200   3.6173   10.407 -28.3800   16.001   27.080   13.702   57.795   28.619  125.372   38.494 -67.57764 47.96727 
1 1 1  -14   10   24 o  119.734   28.768   22.319   8.8110   0.0000   0.0000   22.319   8.8110  ?   ?   119.734   28.768 0.000000 28.76793 
1 1 1  -14   10   25 o  241.960   12.872   78.708   8.0383   81.593   11.574   76.020   11.172  241.617   18.637  233.165   18.654 8.451736 26.36897 
1 1 1  -14   10   26 f  118.051   22.600   20.607   6.6591   28.514   9.5723   13.193   9.2698  134.972   28.284   90.953   31.863 44.01850 42.60552 
1 1 1  -14   10   27 o   61.096   25.256   3.2138   6.5048   3.1958   9.0918   3.2328   9.3104   67.607   28.994   68.168   29.291 -0.5610046 41.21416 
1 1 1  -14   10   28 o   94.299   26.360   14.108   6.6891   5.3975   9.2509   23.653   9.6837   71.501   29.884  118.637   31.123 -47.13612 43.14748 
1 1 1  -14   10   29 o   80.853   28.635   10.395   7.5030   15.270   11.660   6.9500   9.8020   92.789   35.211   74.630   30.939 18.15978 46.87278 
1 1 1  -14   10   30 o   94.525   30.373   15.542   8.4367   19.662   10.363   7.4420   14.530  103.056   33.705   79.774   35.368 23.28213 48.85656 
1 1 1  -14   10   31 o   58.136   25.350   1.8973   7.1833   3.3867   10.193   0.4280   10.124   67.139   29.702   62.734   28.518 4.404469 41.17648 
1 1 1  -14   10   32 o   56.777   27.346  -8.1375   11.919 -15.5100   18.706  -3.0990   15.464   64.019   31.560   67.369   32.097 -3.349762 45.01334 
1 1 1  -14   10   33 o   87.920   29.174   14.202   7.7536   9.6720   10.670   19.271   11.287   75.850   31.921   95.084   34.928 -19.23416 47.31731 
1 1 1  -14   10   34 o   55.531   25.049   0.8096   7.6320  -5.3374   10.679   7.2275   10.912   55.117   26.373   70.768   31.040 -15.65095 40.73114 
1 1 1  -14   10   35 o   98.065   29.332   18.453   8.0287   21.822   11.176   14.860   11.541   97.638   34.909   82.360   33.799 15.27847 48.59058 
1 1 1  -14   10   36 o  122.737   27.344   27.364   8.4707   13.495   11.741   42.417   12.233   78.114   33.210  143.258   33.554 -65.14436 47.20959 
1 1 1  -14   10   37 o  112.439   29.414   25.076   8.6651   26.619   12.304   23.558   12.205   99.787   36.497   93.580   35.902 6.206924 51.19532 
1 1 1  -14   10   38 o   74.212   29.047   11.992   8.1109   30.702   11.898  -4.2500   11.086  107.154   36.148   53.267   25.830 53.88683 44.42805 
1 1 1  -14   11    1 o   58.557   20.519   4.1043   3.8445   1.3420   14.001   4.3296   3.9982   83.478   35.895   59.932   20.930 23.54554 41.55129 
1 1 1  -14   11    2 o   68.409   26.741   4.2014   6.8672 -13.4300   15.400   8.5775   7.6722   70.384   33.079   82.656   28.985 -12.27258 43.98144 
1 1 1  -14   11    3 o  223.471   15.108   66.033   8.6942   0.0000   0.0000   66.033   8.6942  ?   ?   223.471   15.108 0.000000 15.10838 
1 1 1  -14   11    4 o  106.216   21.059   15.573   5.5893   0.0000   0.0000   15.573   5.5893  ?   ?   106.216   21.059 0.000000 21.05901 
1 1 1  -14   11    5 o  392.022   11.428  200.995   11.604  196.900   24.819  202.141   13.128  380.104   25.353  392.611   12.909 -12.50702 28.44985 
1 1 1  -14   11    6 o  207.447   12.322   56.579   6.5917   60.640   17.275   55.887   7.1313  205.648   33.589  205.878   13.446 -0.2299957 36.18023 
1 1 1  -14   11    7 o  172.804   14.144   39.536   6.2755   54.350   18.018   37.491   6.6947  191.951   37.583  167.856   15.575 24.09587 40.68247 
1 1 1  -14   11    8 o  131.097   17.601   23.195   5.8261   48.450   18.250   20.329   6.1478  179.085   40.314  121.816   20.190 57.26918 45.08767 
1 1 1  -14   11    9 o  328.597   10.937  141.258   9.3092  154.600   23.712  138.826   10.122  333.953   27.661  325.423   12.008 8.530579 30.15457 
1 1 1  -14   11   10 o  228.940   14.369   69.365   8.4782   72.670   19.450   68.589   9.4203  223.589   34.707  227.028   16.124 -3.438538 38.26986 
1 1 1  -14   11   11 o  171.456   13.545   38.937   5.9667   45.279   8.3976   32.470   8.4794  183.532   17.892  153.681   21.922 29.85109 28.29660 
1 1 1  -14   11   12 o   40.732   18.819  -3.4868   4.6567  -0.1719   6.6966  -6.5905   6.4797   57.017   24.671   45.205   21.311 11.81219 32.60039 
1 1 1  -14   11   13 o  146.897   29.057   31.120   10.665   33.020   16.146   29.650   14.205  145.230   41.081  138.960   38.254 6.269470 56.13372 
1 1 1  -14   11   14 o  195.751   12.893   50.700   6.5008   49.064   9.3597   52.225   9.0358  190.106   19.274  196.788   17.923 -6.681824 26.31922 
1 1 1  -14   11   15 o  209.093   18.637   59.214   9.9884   0.0000   0.0000   59.214   9.9884  ?   ?   209.093   18.637 0.000000 18.63723 
1 1 1  -14   11   16 o  158.995   15.103   33.898   6.1455   20.743   8.7724   46.577   8.6119  118.712   28.818  185.270   18.179 -66.55769 34.07283 
1 1 1  -14   11   17 o   63.981   25.911   3.2026   6.6740 -13.2200   18.171   5.7633   7.1755   75.182   35.517   72.040   27.554 3.141998 44.95196 
1 1 1  -14   11   18 o  140.346   24.244   28.138   8.4950   0.0000   0.0000   28.138   8.4950  ?   ?   140.346   24.244 0.000000 24.24422 
1 1 1  -14   11   19 o  107.507   29.356   17.452   8.4050   14.670   16.295   18.460   9.8108  103.184   40.925  109.451   32.352 -6.266594 52.16837 
1 1 1  -14   11   20 o   53.772   22.766   1.0416   5.4801  -1.0586   7.9832   2.9132   7.5362   58.959   26.174   65.211   27.089 -6.252014 37.66868 
1 1 1  -14   11   21 o   71.305   25.286   6.7951   5.8522  -0.2798   8.5711   12.974   8.0098   61.954   27.331   92.614   29.577 -30.65994 40.27169 
1 1 1  -14   11   22 o  123.757   20.236   21.762   6.2629   28.991   9.1153   15.299   8.6195  139.437   26.199   98.984   30.555 40.45290 40.24915 
1 1 1  -14   11   23 o   56.818   25.299  -0.8835   7.5135   3.6170   16.845  -2.0013   8.3949   84.553   37.747   57.998   26.206 26.55447 45.95256 
1 1 1  -14   11   24 f  163.290   16.568   36.856   6.9107   43.003   10.169   31.581   9.4202  171.360   23.531  144.627   26.106 26.73378 35.14624 
1 1 1  -14   11   25 o   79.685   26.313   9.5485   6.3098   5.8789   9.1136   12.927   8.7447   73.418   30.072   90.279   30.985 -16.86008 43.17831 
1 1 1  -14   11   26 o  102.443   24.706   16.099   6.4799   15.218   9.3457   16.914   8.9925   95.809   32.038  100.993   31.214 -5.184593 44.73014 
1 1 1  -14   11   27 o   55.163   23.578   1.4855   5.9763   8.4166   8.1453  -6.5966   8.7957   76.703   29.352   52.111   24.646 24.59160 38.32758 
1 1 1  -14   11   28 o   65.841   25.943   5.3762   6.5080  -0.8132   9.4381   10.987   8.9860   61.011   27.657   83.007   31.038 -21.99527 41.57237 
1 1 1  -14   11   29 o  218.529   19.794   69.602   11.083   83.650   15.917   56.380   15.442  228.691   27.416  177.689   34.794 51.00111 44.29765 
1 1 1  -14   11   30 o   86.188   28.037   12.590   7.1739   4.1081   10.351   20.428   9.9514   68.805   30.205  104.762   32.912 -35.95731 44.67152 
1 1 1  -14   11   31 o  114.460   26.441   21.836   7.6817   23.646   11.384   20.324   10.408  107.974   35.328  101.716   33.804 6.258202 48.89602 
1 1 1  -14   11   32 o   87.402   35.240   15.862   12.286   21.150   17.724   10.970   17.047   92.171   40.008   80.667   36.799 11.50421 54.35841 
1 1 1  -14   11   33 o   72.509   28.181   8.9629   7.5931   3.1139   10.548   15.254   10.939   64.669   29.283   85.529   33.656 -20.85997 44.61203 
1 1 1  -14   11   34 o   89.874   29.220   15.513   7.7923   15.630   10.948   15.392   11.094   84.788   33.572   84.153   33.642 0.6350784 47.52716 
1 1 1  -14   11   35 o   56.435   25.606   1.4029   8.1127   8.6478   11.528  -5.7066   11.419   71.168   31.531   55.086   26.591 16.08234 41.24647 
1 1 1  -14   11   36 o   44.645   21.484  -5.5940   7.3175   18.586   11.507 -22.0128   9.4818   86.161   34.322   39.139   19.754 47.02140 39.60086 
1 1 1  -14   11   37 o   67.980   28.089   8.9488   8.0405   11.871   11.187   5.8265   11.564   72.408   31.603   64.348   29.705 8.060066 43.37167 
1 1 1  -14   11   38 o  153.136   26.311   44.125   10.061   44.250   15.149   44.026   13.457  115.519   40.713  126.715   37.990 -11.19595 55.68502 
1 1 1  -14   12    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   12    2 o  178.572   16.095   42.465   7.3650   38.230   16.680   43.490   8.2085  158.937   40.422  180.184   17.821 -21.24704 44.17647 
1 1 1  -14   12    3 o  101.707   19.419   14.223   4.9293   25.390   15.549   12.975   5.1974  130.408   41.164   96.581   21.343 33.82685 46.36828 
1 1 1  -14   12    4 o  233.162   11.876   71.393   7.1490   28.140   19.298   78.273   7.6966  136.331   46.036  244.376   12.159 -108.0447 47.61437 
1 1 1  -14   12    5 o  332.578   10.526  144.565   9.0678  126.300   22.275  148.193   9.9277  300.954   28.930  336.465   11.391 -35.51111 31.09144 
1 1 1  -14   12    6 o  192.951   13.025   49.121   6.4716   45.500   18.166   49.647   6.9260  172.560   41.208  193.743   13.893 -21.18292 43.48738 
1 1 1  -14   12    7 o  288.312   11.041  108.793   8.2453  111.100   20.553  108.350   9.0013  281.992   28.531  287.426   12.090 -5.433990 30.98657 
1 1 1  -14   12    8 o  252.220   11.943   83.436   7.8025   85.900   21.074   83.044   8.3995  243.437   34.377  251.030   12.962 -7.592178 36.73907 
1 1 1  -14   12    9 o  136.947   18.238   25.426   6.3089 -14.4500   17.576   31.323   6.7593   74.483   35.108  152.499   17.424 -78.01609 39.19415 
1 1 1  -14   12   10 o   73.433   25.017   6.9989   5.6992   20.480   16.774   5.2395   6.0597  118.973   42.742   68.481   25.511 50.49187 49.77682 
1 1 1  -14   12   11 o  233.120   12.892   71.749   7.7544   58.850   19.112   74.291   8.4842  196.688   38.890  236.868   13.889 -40.17957 41.29542 
1 1 1  -14   12   12 o   82.905   32.741   6.9447   10.387  -5.0350   16.942   14.160   13.148   81.065   36.866  102.552   37.695 -21.48654 52.72596 
1 1 1  -14   12   13 o   85.746   27.330   10.285   6.8415   6.4740   17.105   11.011   7.4646   94.961   40.214   88.580   28.581 6.380836 49.33603 
1 1 1  -14   12   14 o   87.008   22.576   10.754   5.1318   9.6295   7.3589   11.818   7.1602   83.951   28.428   90.844   27.816 -6.892677 39.77290 
1 1 1  -14   12   15 o  239.488   11.887   75.558   7.3744   75.577   10.661   75.540   10.212  236.620   17.518  236.974   16.744 -0.3541718 24.23270 
1 1 1  -14   12   16 o  147.759   16.399   29.577   6.1708   24.022   8.5310   35.674   8.9367  128.570   26.497  159.723   22.200 -31.15297 34.56809 
1 1 1  -14   12   17 o  272.506   12.673   98.318   8.9452  123.400   14.942   84.306   11.168  300.490   19.298  249.428   17.394 51.06134 25.98028 
1 1 1  -14   12   18 o   71.754   28.608   5.1156   8.0003 -24.1200   18.115   12.200   8.9171   66.439   32.397   91.545   31.291 -25.10577 45.04104 
1 1 1  -14   12   19 o  111.872   26.538   18.651   7.5742   11.180   18.205   20.215   8.3293   98.652   41.616  115.763   28.068 -17.11102 50.19682 
1 1 1  -14   12   20 o   56.573   25.041  -0.7755   7.2549 -19.1400   17.461   3.0563   7.9760   67.141   32.523   66.421   27.753 0.7196045 42.75529 
1 1 1  -14   12   21 o   89.686   26.266   12.110   6.4932   8.9525   9.4893   14.891   8.9041   82.237   31.631   97.589   31.187 -15.35162 44.42046 
1 1 1  -14   12   22 o  105.969   28.820   17.565   8.1199   9.8678   9.6839   35.790   14.901   84.059   32.044  142.712   39.136 -58.65223 50.58112 
1 1 1  -14   12   23 o  247.723   13.042   82.574   8.3395   72.606   12.348   90.934   11.308  225.245   21.421  256.589   17.112 -31.34416 27.41716 
1 1 1  -14   12   24 o  221.414   19.258   69.225   10.935   0.0000   0.0000   69.225   10.935  ?   ?   221.414   19.258 0.000000 19.25780 
1 1 1  -14   12   25 o   52.272   23.006  -0.0864   6.0395   4.0353   8.6826  -3.9500   8.4064   68.342   28.780   54.412   25.191 13.92945 38.24755 
1 1 1  -14   12   26 o   76.390   26.969   8.7535   6.6502   3.7313   9.5980   13.391   9.2228   69.235   29.744   90.139   31.767 -20.90424 43.51823 
1 1 1  -14   12   27 o  121.473   22.255   22.156   6.7444   20.022   9.5078   24.318   9.5686  107.548   31.863  120.117   30.652 -12.56931 44.21318 
1 1 1  -14   12   28 o  127.803   24.744   25.507   7.8954   22.770   12.650   27.254   10.105  107.657   37.250  125.806   31.169 -18.14919 48.56994 
1 1 1  -14   12   29 o   73.792   28.636   8.2389   7.8309   13.653   10.286   0.7744   12.078   87.318   33.087   67.436   30.845 19.88216 45.23446 
1 1 1  -14   12   30 o   72.407   27.574   8.2301   7.1661   5.0321   10.325   11.203   9.9545   69.392   30.321   80.534   31.973 -11.14192 44.06407 
1 1 1  -14   12   31 o   96.696   31.997   18.084   9.3288   16.648   11.093   21.550   17.239   90.304   34.327   93.487   40.004 -3.183098 52.71313 
1 1 1  -14   12   32 f  150.142   26.828   38.395   10.051   21.440   20.357   43.861   11.558   89.124   40.485  156.737   29.552 -67.61275 50.12330 
1 1 1  -14   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   12   34 o   65.726   27.678   6.5994   8.0303   13.953   11.465  -0.4820   11.251   79.918   33.323   59.865   28.179 20.05322 43.64043 
1 1 1  -14   12   35 o  118.930   28.059   26.452   8.5041   16.837   11.984   36.206   12.070   82.767   34.253  126.561   35.421 -43.79444 49.27341 
1 1 1  -14   12   36 o  111.704   28.475   24.390   8.2640   21.223   11.424   27.866   11.969   89.858   34.667  102.765   36.191 -12.90678 50.11561 
1 1 1  -14   12   37 o  138.239   25.472   35.015   8.7848   41.313   12.711   29.257   12.155  127.386   36.590  101.321   36.387 26.06541 51.60224 
1 1 1  -14   13    1 o  267.964   10.576   93.898   7.3411   83.330   18.470   95.880   8.0001  242.987   29.981  270.564   11.415 -27.57643 32.08049 
1 1 1  -14   13    2 o  180.524   12.713   43.003   5.9067   47.150   16.263   42.373   6.3396  178.339   36.437  178.900   13.787 -0.5606842 38.95783 
1 1 1  -14   13    3 o  123.574   16.915   20.619   5.2723   28.100   15.572   19.650   5.6032  135.676   40.910  120.080   18.617 15.59658 44.94710 
1 1 1  -14   13    4 o   72.941   23.393   7.1338   5.0065   9.7600   17.426   6.8975   5.2269  101.890   41.640   72.378   23.951 29.51189 48.03675 
1 1 1  -14   13    5 o   46.257   19.979  -0.2497   4.3761  -2.4970   15.635  -0.0587   4.5582   81.483   36.373   47.679   20.491 33.80387 41.74757 
1 1 1  -14   13    6 o  259.401   15.787   89.461   10.557  112.500   21.964   82.540   12.039  281.562   30.608  247.739   18.903 33.82289 35.97469 
1 1 1  -14   13    7 o  254.363   15.921   86.118   10.437  120.600   20.431   73.941   12.141  294.083   27.126  233.662   20.259 60.42076 33.85625 
1 1 1  -14   13    8 o  193.646   14.029   49.741   6.9890   19.050   18.917   54.592   7.5212  117.704   44.805  202.785   14.412 -85.08128 47.06620 
1 1 1  -14   13    9 o   94.368   23.964   12.649   5.8689 -10.7300   18.480   15.272   6.1893   79.391   36.958  103.848   23.551 -24.45749 43.82357 
1 1 1  -14   13   10 o   98.932   23.506   13.899   5.9345   29.160   18.942   12.238   6.2492  135.130   45.609   92.583   25.326 42.54623 52.16900 
1 1 1  -14   13   11 o   44.605   20.570  -3.8232   5.5244 -14.1100   18.777  -2.8483   5.7803   76.806   36.229   47.570   21.595 29.23561 42.17686 
1 1 1  -14   13   12 o  106.062   35.453   16.539   11.444  -9.3330   19.151   30.910   14.273   81.342   37.785  140.608   38.196 -59.26556 53.72745 
1 1 1  -14   13   13 f  188.530   17.267   48.027   8.3385   73.000   20.030   42.792   9.1710  218.873   36.624  176.413   20.449 42.46013 41.94590 
1 1 1  -14   13   14 o  172.986   14.431   40.028   6.4072   43.185   9.0590   36.868   9.0632  177.181   20.094  162.578   22.094 14.60281 29.86452 
1 1 1  -14   13   15 o   39.227   18.347  -4.1242   4.6406  -7.5800   6.4748  -0.4739   6.6544   43.477   20.729   55.557   24.308 -12.07989 31.94608 
1 1 1  -14   13   16 o  222.850   15.203   66.720   8.7234   64.890   12.319   68.560   12.354  215.326   22.416  221.831   21.781 -6.505234 31.25513 
1 1 1  -14   13   17 o   67.370   25.121   5.4266   5.8785   6.9870   7.4971   2.9360   9.4717   75.277   28.310   70.835   29.957 4.441460 41.21769 
1 1 1  -14   13   18 o  138.394   17.485   26.397   6.1282   17.998   8.6563   34.836   8.6768  108.188   29.895  156.731   21.977 -48.54301 37.10381 
1 1 1  -14   13   19 o  147.850   17.510   30.188   6.5755   25.113   9.4233   35.003   9.1797  128.015   29.080  155.745   23.484 -27.72954 37.37842 
1 1 1  -14   13   20 o  100.859   29.116   15.810   8.0302   3.5360   17.500   19.084   9.0378   86.071   38.447  109.899   30.612 -23.82745 49.14541 
1 1 1  -14   13   21 o   97.996   28.800   15.012   7.7947  -7.9500   17.451   20.734   8.7121   74.124   34.953  114.891   29.210 -40.76663 45.55101 
1 1 1  -14   13   22 o  158.142   30.638   39.624   12.097   40.730   19.575   38.940   15.387  141.290   46.331  147.248   39.517 -5.957916 60.89454 
1 1 1  -14   13   23 o   37.816   18.325  -8.0236   5.5562   5.3789   8.4949 -18.0440   7.3453   71.058   29.061   36.844   18.427 34.21379 34.41040 
1 1 1  -14   13   24 o  169.747   17.001   40.250   7.3749   44.834   10.943   36.437   9.9821  172.144   25.296  154.486   25.859 17.65852 36.17442 
1 1 1  -14   13   25 o  209.418   15.043   60.384   8.1059   55.338   11.326   65.683   11.606  192.955   23.122  212.244   21.402 -19.28928 31.50659 
1 1 1  -14   13   26 o  115.475   24.549   20.652   7.1169   20.314   10.071   20.988   10.059  107.295   33.012  109.219   32.868 -1.923668 46.58422 
1 1 1  -14   13   27 o   53.460   23.740  -0.0002   6.5719   2.0194   9.1851  -2.1186   9.4070   64.213   28.312   58.673   26.978 5.540268 39.10723 
1 1 1  -14   13   28 o  108.010   29.086   19.980   8.3189   6.5225   10.669   40.850   13.286   73.514   31.465  148.515   35.094 -75.00059 47.13406 
1 1 1  -14   13   29 o  152.022   19.996   34.521   7.6829   43.545   11.043   26.056   10.695  162.507   27.196  117.118   33.542 45.38824 43.18176 
1 1 1  -14   13   30 o   98.885   28.468   17.378   7.6863   7.3026   11.118   26.603   10.638   72.911   31.668  116.857   33.447 -43.94543 46.06020 
1 1 1  -14   13   31 o   56.451   26.742  -3.8311   10.434   12.860   19.168 -10.8600   12.439   81.623   37.876   54.742   26.726 26.88129 46.35652 
1 1 1  -14   13   32 o   64.376   27.073   5.7070   7.6658   5.0329   10.638   6.4351   11.057   66.755   29.885   69.183   30.754 -2.427490 42.88309 
1 1 1  -14   13   33 o   39.756   19.714 -12.9063   7.6911 -24.9973   10.980  -1.2576   10.777   42.120   21.258   58.339   27.496 -16.21886 34.75595 
1 1 1  -14   13   34 o   67.227   27.891   7.7242   7.9740   6.8485   11.107   8.6557   11.455   67.558   30.369   70.248   31.262 -2.690163 43.58426 
1 1 1  -14   13   35 o   40.683   19.910  -8.3594   7.0270  -9.8593   9.1323  -6.1824   11.002   45.500   22.356   52.550   25.539 -7.049290 33.94154 
1 1 1  -14   13   36 o   73.494   28.884   11.681   8.0476   1.9125   11.319   21.667   11.444   59.167   27.976   88.470   34.538 -29.30247 44.44685 
1 1 1  -14   13   37 o   66.930   29.342   10.021   9.7390   1.4240   15.297   15.882   12.629   60.264   29.469   73.522   32.764 -13.25830 44.06682 
1 1 1  -14   14    1 o  165.516   13.552   36.330   5.7593   28.050   16.712   37.446   6.1351  134.394   42.702  167.851   14.245 -33.45735 45.01566 
1 1 1  -14   14    2 f  195.264   12.508   50.319   6.2930   41.780   17.850   51.530   6.7247  163.350   41.964  197.394   13.229 -34.04465 43.99931 
1 1 1  -14   14    3 o   82.773   22.557   9.6198   4.9685   10.780   15.907   9.4944   5.2302  100.418   40.235   82.294   23.417 18.12391 46.55320 
1 1 1  -14   14    4 o  234.195   12.098   72.241   7.3143   46.290   20.001   76.247   7.8586  169.842   44.812  240.428   12.663 -70.58583 46.56712 
1 1 1  -14   14    5 o  268.539   11.358   94.602   7.9005   79.220   19.918   97.474   8.6065  232.602   34.069  272.318   12.201 -39.71498 36.18773 
1 1 1  -14   14    6 o   54.426   22.143   1.8901   4.8997 -11.0600   17.806   2.9511   5.0965   77.416   36.118   58.339   22.967 19.07681 42.80188 
1 1 1  -14   14    7 o  185.645   14.052   45.801   6.7072   60.700   19.465   43.794   7.1447  198.912   39.173  181.053   15.380 17.85858 42.08402 
1 1 1  -14   14    8 o  121.650   19.417   20.373   5.9128   25.270   17.258   19.722   6.2937  127.151   43.532  119.011   21.193 8.140121 48.41632 
1 1 1  -14   14    9 o  144.228   17.905   28.278   6.5452   27.420   18.534   28.400   6.9959  130.904   45.099  144.036   19.231 -13.13202 49.02807 
1 1 1  -14   14   10 o  176.428   15.735   41.765   7.1152   18.860   19.365   45.340   7.6504  115.647   44.989  183.668   16.248 -68.02102 47.83274 
1 1 1  -14   14   11 o   81.912   33.554   5.7880   11.348   2.6950   18.697   7.5920   14.279   92.075   40.503   90.778   37.464 1.296761 55.17321 
1 1 1  -14   14   12 o   55.797   23.916   0.4859   6.1794   10.720   18.801  -0.7535   6.5429  101.878   42.593   54.683   24.009 47.19567 48.89385 
1 1 1  -14   14   13 o   98.671   25.967   14.226   6.7270   0.6332   19.170   16.135   7.1839   89.695   40.140  104.908   26.444 -15.21315 48.06752 
1 1 1  -14   14   14 o  166.290   17.505   37.708   7.4267   35.130   20.926   38.080   7.9439  140.232   47.936  166.516   18.743 -26.28455 51.46970 
1 1 1  -14   14   15 o  181.993   25.819   47.790   11.830   0.0000   0.0000   47.790   11.830  ?   ?   181.993   25.819 0.000000 25.81882 
1 1 1  -14   14   16 o  166.262   15.400   37.434   6.5570   34.104   8.8639   41.458   9.7445  154.748   22.796  171.007   22.548 -16.25868 32.06395 
1 1 1  -14   14   17 o   36.718   17.762  -7.6333   5.1623 -12.2222   7.4554  -3.4066   7.1551   42.403   20.700   51.813   23.714 -9.410469 31.47784 
1 1 1  -14   14   18 o  146.911   17.162   29.782   6.4077   29.601   9.0920   29.960   9.0319  141.343   25.784  142.473   25.405 -1.130127 36.19678 
1 1 1  -14   14   19 o   57.458   23.576   2.5081   5.6142   5.8842   7.8210  -1.0811   8.0640   71.875   28.402   58.454   26.105 13.42098 38.57657 
1 1 1  -14   14   20 o  168.500   16.017   39.021   6.9068   36.168   9.8511   41.779   9.6863  155.860   25.265  169.822   22.580 -13.96196 33.88481 
1 1 1  -14   14   21 o   39.205   19.344 -13.5834   7.0832 -17.4494   8.7059  -6.0130   12.183   42.465   21.043   63.498   29.707 -21.03259 36.40514 
1 1 1  -14   14   22 o   96.486   28.774   14.888   7.7348   38.680   19.341   10.359   8.4391  135.335   46.085   82.865   30.238 52.46999 55.11995 
1 1 1  -14   14   23 o   63.139   27.108   2.3546   7.9635  -1.6250   19.134   3.1883   8.7580   79.802   37.302   66.714   28.530 13.08835 46.96141 
1 1 1  -14   14   24 o  155.100   23.670   36.178   9.2084   35.460   19.590   36.381   10.433  125.228   46.014  152.012   27.508 -26.78371 53.60932 
1 1 1  -14   14   25 o  100.494   26.256   16.150   6.9099   14.785   9.9077   17.442   9.6417   92.496   32.890   99.803   32.506 -7.306900 46.24227 
1 1 1  -14   14   26 o  126.260   22.490   24.198   7.0856   29.663   10.125   18.953   9.9190  132.595   30.161  102.491   32.934 30.10429 44.65741 
1 1 1  -14   14   27 o  151.103   24.154   35.582   9.1357   38.770   12.567   32.010   13.304  146.194   33.853  126.250   37.757 19.94421 50.71086 
1 1 1  -14   14   28 o  156.835   19.568   36.518   7.7766   35.552   11.355   37.372   10.673  140.716   31.889  148.460   28.792 -7.744064 42.96378 
1 1 1  -14   14   29 o   79.909   27.943   11.106   7.1281  -0.0604   9.9941   22.667   10.170   60.656   27.859  107.505   33.189 -46.84819 43.33189 
1 1 1  -14   14   30 o  109.132   27.431   20.918   7.7457   19.908   11.226   21.836   10.701   95.910   34.894  101.867   34.282 -5.956978 48.91648 
1 1 1  -14   14   31 o   63.773   28.325   4.1207   9.3588 -13.6700   18.585   10.164   10.832   62.106   30.770   74.935   31.879 -12.82967 44.30646 
1 1 1  -14   14   32 o   57.416   25.675   2.2450   7.8273   19.612   11.371 -13.3961   10.791   91.297   34.741   48.110   23.764 43.18714 42.09172 
1 1 1  -14   14   33 o   58.355   25.931   3.1714   7.8533   2.3299   11.143   4.0020   11.070   61.978   28.800   63.879   29.333 -1.901493 41.10806 
1 1 1  -14   14   34 o  118.542   26.997   26.052   8.1043   25.899   12.059   26.179   10.944   98.905   36.138  104.042   34.667 -5.136597 50.07796 
1 1 1  -14   14   35 o   53.804   24.656   1.4641   7.7668  -1.9672   10.486   5.6346   11.560   54.459   26.078   63.619   29.484 -9.160778 39.36188 
1 1 1  -14   14   36 o   49.153   23.520  -2.6123   8.4966   3.3843   12.062  -8.5183   11.971   59.949   28.501   50.630   25.013 9.319035 37.92027 
1 1 1  -14   15    1 o  119.028   17.231   19.278   5.1581   11.040   16.650   20.152   5.4250  101.178   40.943  121.577   17.750 -20.39881 44.62467 
1 1 1  -14   15    2 f  305.496   10.561  122.315   8.3574  112.800   19.827  124.372   9.2163  282.980   27.391  307.693   11.563 -24.71268 29.73186 
1 1 1  -14   15    3 o  270.466   11.162   96.017   7.8197   75.790   20.617   99.416   8.4512  224.402   36.740  274.974   11.865 -50.57191 38.60883 
1 1 1  -14   15    4 f  103.887   19.996   15.022   5.1857   10.730   16.325   15.504   5.4690   99.943   40.507  105.318   20.785 -5.375153 45.52827 
1 1 1  -14   15    5 o  118.287   19.196   19.283   5.6800   5.8200   16.856   21.007   6.0329   93.401   39.752  123.453   19.514 -30.05156 44.28326 
1 1 1  -14   15    6 o  149.895   16.517   30.328   6.3065   31.020   19.250   30.245   6.6749  137.348   45.980  149.286   17.599 -11.93854 49.23348 
1 1 1  -14   15    7 o  130.030   18.760   23.201   6.1358   30.410   19.089   22.370   6.4796  135.828   45.786  127.020   20.383 8.808762 50.11835 
1 1 1  -14   15    8 o  329.814   11.305  143.049   9.6579  130.800   23.077  145.650   10.634  300.894   30.009  332.310   12.354 -31.41595 32.45250 
1 1 1  -14   15    9 o  150.385   17.190   30.714   6.5760   59.520   19.537   27.033   6.9835  193.551   40.279  139.915   19.823 53.63641 44.89265 
1 1 1  -14   15   10 o  128.656   29.648   24.641   9.6774   48.560   19.374   16.689   11.171  170.701   43.646  105.387   35.021 65.31339 55.95912 
1 1 1  -14   15   11 o  273.205   33.304  112.000   23.081  112.000   23.081   0.0000   0.0000  273.205   33.304  ?   ?  0.000000 33.30404 
1 1 1  -14   15   12 o  102.842   23.677   15.294   6.1768   34.940   19.770   13.169   6.5023  140.642   46.582   94.790   25.794 45.85117 53.24710 
1 1 1  -14   15   13 o   94.815   26.599   13.289   6.7980   0.0000   0.0000   13.289   6.7980  ?   ?    94.815   26.599 0.000000 26.59868 
1 1 1  -14   15   14 o  215.383   18.045   63.539   9.9747   0.0000   0.0000   63.539   9.9747  ?   ?   215.383   18.045 0.000000 18.04504 
1 1 1  -14   15   15 o  198.105   15.393   53.127   7.8370   43.770   20.299   54.766   8.4957  153.208   46.823  200.516   16.503 -47.30769 49.64599 
1 1 1  -14   15   16 o  107.956   26.363   17.543   7.3082   28.010   17.834   15.430   8.0118  124.106   44.127  100.108   29.135 23.99847 52.87747 
1 1 1  -14   15   17 o  181.996   18.399   46.025   8.5548   38.900   18.621   47.931   9.6314  143.182   45.027  184.273   20.527 -41.09174 49.48506 
1 1 1  -14   15   18 o  130.344   18.174   23.822   5.9690   28.664   8.4660   19.037   8.4172  139.286   24.352  110.125   29.078 29.16089 37.92806 
1 1 1  -14   15   19 o   51.024   22.588  -0.6281   5.9043  -3.5552   8.4462   2.1693   8.2570   55.586   25.560   64.374   27.620 -8.788013 37.63235 
1 1 1  -14   15   20 o  199.787   14.623   54.456   7.5147   61.423   10.986   48.330   10.302  207.116   20.757  182.252   22.286 24.86385 30.45519 
1 1 1  -14   15   21 o  147.169   32.787   36.057   12.179   24.820   18.802   44.180   15.986  111.108   43.995  154.997   39.654 -43.88940 59.22825 
1 1 1  -14   15   22 o   62.402   25.133   4.0875   6.2420   3.8486   9.2337   4.2886   8.4707   68.824   29.360   68.032   28.527 0.7919846 40.93606 
1 1 1  -14   15   23 o   46.251   22.203  -8.2981   7.7075   18.280   16.843 -15.3376   8.6683   98.915   40.740   43.378   21.403 55.53763 46.02020 
1 1 1  -14   15   24 o   81.303   29.715   10.514   8.1545   8.6450   17.843   11.007   9.1678   85.700   38.512   82.888   31.278 2.812042 49.61318 
1 1 1  -14   15   25 f   98.567   30.626   16.908   8.6437   4.6450   18.814   20.189   9.7315   81.312   37.659  106.082   32.420 -24.76985 49.69136 
1 1 1  -14   15   26 o   68.419   28.500   5.6191   8.3746   10.940   13.267   2.0950   10.797   82.754   35.245   66.752   29.980 16.00233 46.27127 
1 1 1  -14   15   27 o   56.396   24.601   1.7134   6.7708  -5.9427   9.4914   9.6462   9.6614   53.170   25.279   77.208   31.208 -24.03833 40.16147 
1 1 1  -14   15   28 o   41.370   20.129  -8.7737   6.8874 -10.6436   9.9862  -7.0774   9.5117   49.600   24.157   51.505   24.709 -1.904922 34.55540 
1 1 1  -14   15   29 o   54.239   24.436   0.4607   7.2373  -2.5276   10.044   3.6872   10.437   56.959   26.752   65.530   29.450 -8.571014 39.78667 
1 1 1  -14   15   30 o   64.852   28.654   4.7620   9.4571  -3.7321   11.217   25.640   17.586   57.369   27.333   93.539   40.226 -36.17021 48.63361 
1 1 1  -14   15   31 o   34.466   17.368 -18.1524   7.1741 -28.8047   10.253  -7.9327   10.042   38.558   19.579   50.397   24.471 -11.83891 31.33967 
1 1 1  -14   15   32 o   66.228   27.423   7.3402   7.6872  -1.1629   11.087   15.213   10.668   58.095   27.533   81.513   32.847 -23.41854 42.86042 
1 1 1  -14   15   33 o   70.827   28.182   9.7651   7.7500   9.7436   11.110   9.7854   10.816   70.375   31.077   70.416   30.895 -0.4156494E-01 43.82139 
1 1 1  -14   15   34 o   53.174   24.441   1.0717   7.7111   1.4861   10.471   0.5806   11.398   58.018   27.270   58.245   27.695 -0.2268753 38.86728 
1 1 1  -14   15   35 o   57.360   25.994   3.9524   8.3295  -1.2544   11.926   8.9120   11.639   55.944   27.046   65.872   30.184 -9.927467 40.52878 
1 1 1  -14   15   36 o   53.348   25.655  -0.4276   10.393 -13.5100   13.979   15.740   15.540   49.740   24.955   69.289   32.767 -19.54913 41.18793 
1 1 1  -14   16    1 o   65.840   22.593   5.5972   4.6490   19.750   15.493   4.1968   4.8736  114.474   41.084   61.336   22.873 53.13786 47.02158 
1 1 1  -14   16    2 o  192.232   12.806   49.006   6.3400   30.510   17.092   51.957   6.8270  136.551   43.164  197.738   13.408 -61.18700 45.19860 
1 1 1  -14   16    3 o   60.135   23.006   3.7231   5.0029   26.970   17.026   1.5263   5.2340  129.046   43.243   54.541   22.609 74.50536 48.79681 
1 1 1  -14   16    4 o   93.009   23.032   12.375   5.5197  -1.1090   16.920   13.980   5.8391   84.086   37.664   98.854   23.202 -14.76884 44.23708 
1 1 1  -14   16    5 o   52.980   22.266   1.0370   5.1799   23.930   18.401  -0.9334   5.3983  122.656   44.667   49.328   21.729 73.32825 49.67162 
1 1 1  -14   16    6 o  270.331   11.953   96.384   8.3698   83.770   22.188   98.477   9.0374  232.021   38.251  272.897   12.785 -40.87523 40.33142 
1 1 1  -14   16    7 o  335.197   11.290  147.962   9.8028  149.400   24.987  147.700   10.657  319.626   30.553  334.383   12.304 -14.75601 32.93734 
1 1 1  -14   16    8 o  288.792   11.968  110.119   8.9526   88.730   22.970  113.950   9.7214  237.405   38.684  293.374   12.792 -55.96956 40.74469 
1 1 1  -14   16    9 o  273.830   16.494  101.147   11.645  102.200   22.921  100.781   13.519  258.194   35.188  271.310   19.364 -13.11658 40.16460 
1 1 1  -14   16   10 o  188.255   16.549   48.057   7.9878   47.560   20.454   48.146   8.6768  163.990   46.185  187.632   18.076 -23.64241 49.59622 
1 1 1  -14   16   11 o   37.652   18.320  -9.2768   5.7048 -12.8100   18.826  -8.9195   5.9863   75.587   35.839   39.418   19.082 36.16843 40.60286 
1 1 1  -14   16   12 o  110.337   28.486   18.442   8.1975   0.0000   0.0000   18.442   8.1975  ?   ?   110.337   28.486 0.000000 28.48633 
1 1 1  -14   16   13 o   81.347   28.430   9.3396   7.3779 -19.2900   18.484   14.765   8.0467   69.498   33.616   98.342   29.353 -28.84361 44.62804 
1 1 1  -14   16   14 o   63.807   25.095   4.2184   6.0787  -1.1240   18.904   4.8345   6.4197   84.221   38.547   66.405   25.884 17.81539 46.43087 
1 1 1  -14   16   15 o  105.053   24.195   16.388   6.4481   15.260   18.926   16.536   6.8584  102.309   42.751  104.876   25.494 -2.566978 49.77526 
1 1 1  -14   16   16 o  107.722   24.163   17.300   6.5762   57.000   19.650   12.293   6.9786  176.734   43.271   89.677   27.462 87.05646 51.24961 
1 1 1  -14   16   17 o  135.303   22.751   26.782   7.6908   8.3640   18.342   30.710   8.4715   91.124   40.100  144.594   23.419 -53.46947 46.43804 
1 1 1  -14   16   18 o   44.913   21.260  -6.0508   6.5711 -14.2400   17.241  -4.6590   7.1076   68.007   32.789   49.002   22.848 19.00484 39.96416 
1 1 1  -14   16   19 o  150.444   16.442   31.479   6.3032   33.973   8.5336   28.485   9.3504  152.212   22.306  135.047   27.660 17.16437 35.53330 
1 1 1  -14   16   20 f   74.173   31.493   5.3525   10.534  -3.5340   15.451   13.070   14.399   72.115   33.645   91.531   37.680 -19.41692 50.51517 
1 1 1  -14   16   21 o   66.281   25.435   5.6490   6.1266  -4.0549   8.9138   14.337   8.4346   55.518   25.785   93.022   30.408 -37.50425 39.86881 
1 1 1  -14   16   22 o   39.782   19.204  -7.6291   5.9570 -22.0899   8.6416   5.4641   8.2228   38.751   19.466   69.353   28.503 -30.60167 34.51641 
1 1 1  -14   16   23 o   46.370   21.616  -3.8062   6.3559 -10.7692   9.4704   1.9003   8.5735   49.508   23.975   62.739   27.517 -13.23095 36.49610 
1 1 1  -14   16   24 o   56.250   24.184   1.8418   6.3539   3.6911   9.3258   0.2396   8.6804   66.935   29.038   59.804   26.869 7.130894 39.56175 
1 1 1  -14   16   25 o   55.027   26.277  -7.1820   10.490   0.0000   0.0000  -7.1820   10.490  ?   ?    55.027   26.277 0.000000 26.27699 
1 1 1  -14   16   26 o   79.029   30.208   10.687   8.6210 -19.1900   17.879   19.739   9.8405   61.219   30.303  101.501   32.823 -40.28257 44.67235 
1 1 1  -14   16   27 o  100.151   31.195   19.034   8.9616  -8.1360   18.314   27.588   10.276   66.850   32.592  120.598   32.263 -53.74725 45.86033 
1 1 1  -14   16   28 o   71.662   28.219   8.5945   7.6960  -2.1716   11.281   17.967   10.526   59.713   28.141   92.202   33.751 -32.48916 43.94329 
1 1 1  -14   16   29 o   58.078   25.632   2.6734   7.5462   13.598   11.225  -6.3360   10.193   80.621   33.238   52.635   25.336 27.98535 41.79321 
1 1 1  -14   16   30 o   69.604   31.465   7.2439   12.118   5.4640   19.072   8.4490   15.693   71.851   34.603   72.712   33.918 -0.8611145 48.45422 
1 1 1  -14   16   31 o  114.508   27.428   24.278   8.0282   23.765   11.907   24.705   10.871   96.554   35.801  102.369   34.553 -5.814827 49.75542 
1 1 1  -14   16   32 o   85.026   29.923   15.485   8.1806   22.828   12.045   9.1971   11.146   92.082   35.576   69.405   30.864 22.67623 47.09820 
1 1 1  -14   16   33 o   95.343   30.212   19.800   8.3698   14.480   11.649   25.476   12.034   75.550   32.614   95.104   35.847 -19.55309 48.46352 
1 1 1  -14   16   34 o   78.256   33.079   17.436   11.539   0.0000   0.0000   17.436   11.539  ?   ?    78.256   33.079 0.000000 33.07885 
1 1 1  -14   16   35 o   71.685   29.633   12.966   8.9551   9.5460   13.893   15.397   11.713   64.536   30.654   72.163   31.886 -7.627144 44.23131 
1 1 1  -14   17    1 o   81.955   22.775   9.6092   5.0087   24.570   18.152   8.3763   5.2110  122.562   44.405   77.064   23.752 45.49867 50.35848 
1 1 1  -14   17    2 o  139.529   16.308   26.443   5.7828   18.910   16.100   27.558   6.1963  111.498   41.574  142.126   17.180 -30.62707 44.98380 
1 1 1  -14   17    3 o  153.359   15.600   31.773   6.1106   16.660   16.818   34.071   6.5589  107.780   41.927  158.613   16.191 -50.83279 44.94457 
1 1 1  -14   17    4 o   69.552   24.087   6.3672   5.2903   38.470   17.803   3.2579   5.5406  150.360   43.337   60.181   23.866 90.17863 49.47385 
1 1 1  -14   17    5 o  153.149   16.267   31.833   6.3543   1.6660   19.307   35.498   6.7292   90.284   40.352  161.801   16.277 -71.51785 43.51077 
1 1 1  -14   17    6 o  228.715   13.268   69.706   7.8265   52.450   22.483   72.086   8.3486  169.819   48.629  232.263   13.941 -62.44402 50.58817 
1 1 1  -14   17    7 o   74.563   30.023   5.4200   8.9048   23.110   19.752   0.9071   9.9762  118.549   45.626   68.757   29.931 49.79261 54.56687 
1 1 1  -14   17    8 o  214.206   25.366   65.953   13.801   64.300   22.230   66.990   17.605  191.724   45.454  208.464   33.757 -16.73996 56.61765 
1 1 1  -14   17    9 f   42.471   19.692  -3.7332   5.1662 -32.1900   18.611  -1.3574   5.3776   62.734   31.029   47.939   21.370 14.79530 37.67634 
1 1 1  -14   17   10 o   70.973   27.521   5.7216   7.2287   0.0000   0.0000   5.7216   7.2287  ?   ?    70.973   27.521 0.000000 27.52115 
1 1 1  -14   17   11 o   73.078   26.640   7.0116   6.5477  -6.9880   18.131   9.1110   7.0215   77.729   36.326   80.138   27.750 -2.409409 45.71216 
1 1 1  -14   17   12 o  246.319   13.304   81.338   8.4568   57.430   20.328   86.341   9.2997  178.339   44.223  253.184   14.238 -74.84511 46.45870 
1 1 1  -14   17   13 o  196.061   15.730   52.436   7.9214   8.9060   18.680   61.980   8.7467   93.675   40.862  213.090   15.962 -119.4150 43.86959 
1 1 1  -14   17   14 o  204.153   20.413   58.946   10.650   44.540   20.088   64.579   12.561  149.824   46.711  211.095   23.363 -61.27110 52.22808 
1 1 1  -14   17   15 o  139.045   19.599   27.472   6.8631  -6.4580   18.851   32.656   7.3688   77.380   36.439  152.067   19.131 -74.68711 41.15566 
1 1 1  -14   17   16 o  163.164   17.948   37.306   7.4602   10.270   19.523   41.929   8.0728   93.485   41.244  172.801   18.315 -79.31551 45.12792 
1 1 1  -14   17   17 f   57.152   24.080   2.0281   6.0829   8.3530   16.421   1.0222   6.5488   87.366   38.206   56.470   24.415 30.89638 45.34076 
1 1 1  -14   17   18 o  203.407   18.675   58.569   9.7295   40.270   18.863   65.203   11.357  137.582   45.497  212.463   20.907 -74.88110 50.07084 
1 1 1  -14   17   19 o   47.099   22.701  -9.4964   8.2501 -17.6900   16.935  -6.9467   9.4469   63.802   31.158   53.805   25.476 9.996864 40.24673 
1 1 1  -14   17   20 o   79.796   29.235   9.8314   7.9001   28.620   18.237   5.4912   8.7652  114.251   43.873   70.508   29.246 43.74231 52.72754 
1 1 1  -14   17   21 o   49.179   22.182  -1.2555   5.9832   1.9966   8.2868  -4.7971   8.6478   62.354   27.208   53.274   24.958 9.080166 36.92069 
1 1 1  -14   17   22 o   68.547   29.341   4.4935   9.2787   4.4935   9.2787   0.0000   0.0000   68.547   29.341  ?   ?  0.000000 29.34106 
1 1 1  -14   17   23 o   47.574   21.935  -2.5868   6.2784   6.5270   9.1669 -10.6394   8.6166   71.601   29.821   46.425   22.572 25.17553 37.40030 
1 1 1  -14   17   24 o   62.340   26.429   3.7708   7.4013  -3.2420   10.098   11.910   10.879   57.968   27.097   82.687   33.223 -24.71918 42.87242 
1 1 1  -14   17   25 o   42.102   20.413  -8.3141   6.9178  -8.2217   9.1380  -8.4380   10.588   49.592   23.900   53.359   25.718 -3.766838 35.10932 
1 1 1  -14   17   26 o   99.710   27.630   17.541   7.3827   22.718   10.938   13.208   10.006  104.340   34.653   82.943   32.318 21.39673 47.38443 
1 1 1  -14   17   27 f   42.050   20.718 -11.9488   8.0266  -0.3863   19.191 -14.4003   8.8366   70.767   34.235   42.754   21.188 28.01301 40.26182 
1 1 1  -14   17   28 o   46.800   22.599  -7.0343   8.2667   0.7067   19.607  -8.7079   9.1167   70.242   34.127   47.640   23.175 22.60147 41.25243 
1 1 1  -14   17   29 o   73.223   32.062   10.282   11.597   24.280   17.056  -1.7540   15.816   88.835   38.890   64.126   31.036 24.70908 49.75659 
1 1 1  -14   17   30 o   50.717   23.819  -1.9259   7.9603 -16.3829   12.287   8.5320   10.450   48.738   24.291   69.090   30.339 -20.35156 38.86524 
1 1 1  -14   17   31 o   43.845   21.379  -7.6982   7.8885 -10.3968   11.592  -5.3703   10.766   50.409   24.849   52.586   25.489 -2.177185 35.59687 
1 1 1  -14   17   32 o   81.651   29.773   14.923   8.1791   9.8322   11.235   20.662   11.930   68.572   30.705   85.365   34.617 -16.79362 46.27272 
1 1 1  -14   17   33 o   50.186   23.562  -0.5033   7.7793   5.0343   11.740  -4.8387   10.387   61.431   28.875   50.700   24.680 10.73130 37.98496 
1 1 1  -14   17   34 o   50.963   23.957   0.4251   8.0852   3.6631   11.585  -2.6494   11.289   58.365   27.800   52.671   25.659 5.693329 37.83151 
1 1 1  -14   18    1 f  218.633   12.609   63.640   7.1104   71.610   19.997   62.486   7.6076  211.217   37.945  216.130   13.659 -4.912354 40.32869 
1 1 1  -14   18    2 o  101.322   20.303   14.576   5.1429   16.280   16.358   14.389   5.4176  105.076   41.217  100.172   21.521 4.904198 46.49712 
1 1 1  -14   18    3 o  129.241   18.027   23.109   5.8707   32.360   17.828   21.984   6.2175  135.083   44.210  125.189   19.835 9.893875 48.45587 
1 1 1  -14   18    4 o   72.798   24.817   7.2651   5.6085   38.620   19.433   4.4163   5.8577  145.405   46.032   64.116   24.799 81.28873 52.28697 
1 1 1  -14   18    5 f   83.383   25.239   10.156   5.9185   9.6830   19.513   10.204   6.2111   97.945   42.246   83.590   25.959 14.35497 49.58459 
1 1 1  -14   18    6 o   82.179   30.390   9.1273   8.5682   4.7740   19.840   10.125   9.4998   92.412   41.132   85.844   31.949 6.567421 52.08266 
1 1 1  -14   18    7 o  262.891   16.598   94.085   11.244   0.0000   0.0000   94.085   11.244  ?   ?   262.891   16.598 0.000000 16.59754 
1 1 1  -14   18    8 f  153.076   20.258   32.993   7.8353   0.0000   0.0000   32.993   7.8353  ?   ?   153.076   20.258 0.000000 20.25810 
1 1 1  -14   18    9 o   92.107   26.445   12.801   6.6407 -15.9800   18.441   17.090   7.1183   70.932   34.126  106.511   26.023 -35.57939 42.91601 
1 1 1  -14   18   10 o   84.512   24.921   10.640   5.8276   31.810   17.372   7.9562   6.1860  130.452   43.680   75.140   26.045 55.31163 50.85581 
1 1 1  -14   18   11 o  169.686   16.560   39.640   7.1858   25.120   18.166   42.333   7.8239  116.301   43.994  174.801   17.515 -58.50007 47.35287 
1 1 1  -14   18   12 o  138.285   19.347   27.080   6.7402   12.100   17.789   29.591   7.2833   95.514   40.748  144.214   20.039 -48.70094 45.40866 
1 1 1  -14   18   13 o   51.506   22.792  -0.5689   6.0062  -3.7980   17.250  -0.1234   6.4071   76.597   35.674   53.927   23.716 22.66956 42.83791 
1 1 1  -14   18   14 f   58.379   24.580   2.1549   6.3316  -3.5650   17.566   3.0091   6.7879   76.814   35.850   61.724   25.681 15.09023 44.09860 
1 1 1  -14   18   15 o  141.948   20.332   29.063   7.2624   26.410   18.743   29.532   7.8777  113.852   44.269  141.797   22.174 -27.94495 49.51186 
1 1 1  -14   18   16 f   87.344   26.455   11.964   6.5010   4.2000   16.357   13.421   7.0846   81.471   36.717   91.797   27.575 -10.32528 45.91893 
1 1 1  -14   18   17 o   52.824   23.353  -0.1286   6.2903   23.340   16.748  -3.9830   6.7873  107.708   41.856   48.210   22.428 59.49861 47.48585 
1 1 1  -14   18   18 o   82.826   30.627   10.852   8.7016   12.400   16.761   10.280   10.181   90.280   39.047   82.320   32.444 7.959885 50.76707 
1 1 1  -14   18   19 o   87.619   29.063   12.671   7.6946   1.3620   16.835   15.657   8.6510   77.197   35.707   95.699   30.757 -18.50177 47.12776 
1 1 1  -14   18   20 o  203.785   18.932   59.928   9.8795   56.830   19.613   60.981   11.436  160.949   45.189  201.775   22.251 -40.82648 50.37066 
1 1 1  -14   18   21 o  169.039   17.721   41.010   7.6440   0.7031   19.390   48.427   8.3176   77.881   36.760  183.824   17.686 -105.9434 40.79364 
1 1 1  -14   18   22 o  162.324   23.019   40.598   9.4076   5.8390   19.592   51.014   10.725   81.013   37.827  181.754   23.318 -100.7409 44.43635 
1 1 1  -14   18   23 o   91.924   29.797   15.160   8.1061   7.3170   10.979   24.560   12.020   73.831   31.767  108.946   36.333 -35.11479 48.26185 
1 1 1  -14   18   24 o   54.661   24.652   0.1099   7.3888  -3.8289   9.7024   5.5480   11.401   55.433   26.115   70.569   31.306 -15.13636 40.76895 
1 1 1  -14   18   25 o   79.243   27.723   11.167   7.0168   19.116   9.8828   3.0870   9.9641   96.890   32.943   64.053   28.782 32.83695 43.74531 
1 1 1  -14   18   26 o   50.554   23.412  -1.6640   7.2699   5.7243   10.331  -8.9109   10.232   67.491   29.878   50.653   24.620 16.83811 38.71474 
1 1 1  -14   18   27 o  124.157   25.464   26.600   7.9147   14.203   11.125   39.306   11.263   80.755   33.167  142.568   31.351 -61.81240 45.63961 
1 1 1  -14   18   28 f   59.996   26.166   4.2594   7.6565   14.438   10.844  -5.8599   10.812   79.933   32.778   53.301   25.764 26.63246 41.69185 
1 1 1  -14   18   29 o  134.570   31.353   36.745   10.726  -5.6820   21.159   51.420   12.444   64.674   32.175  161.234   30.920 -96.55984 44.62397 
1 1 1  -14   18   30 o   82.713   32.458   16.779   10.148   40.450   21.678   10.136   11.484   92.306   41.872   69.937   31.199 22.36861 52.21745 
1 1 1  -14   18   31 o   55.045   25.961   0.2850   9.6356  -4.7340   18.255   2.2233   11.345   60.560   30.088   59.244   28.011 1.315815 41.10862 
1 1 1  -14   18   32 o   71.464   30.738   12.836   10.273   35.950   21.123   5.6761   11.756   82.668   38.817   61.801   28.999 20.86696 48.45287 
1 1 1  -14   18   33 o   48.818   23.160  -0.9423   7.8839   3.0595   10.984  -5.1953   11.323   57.131   27.172   50.679   24.899 6.452164 36.85431 
1 1 1  -14   18   34 o   55.651   26.669   3.1814   11.013   10.700   16.300  -3.1330   14.938   62.517   30.538   54.215   26.982 8.301682 40.75085 
1 1 1  -14   19    1 o   80.859   30.687   8.6448   8.8567  -9.2160   17.815   14.509   10.208   74.878   35.310   96.704   33.460 -21.82675 48.64546 
1 1 1  -14   19    2 o  123.639   19.007   21.484   5.8924   33.460   17.193   19.890   6.2723  135.227   43.350  117.709   21.358 17.51892 48.32557 
1 1 1  -14   19    3 o   88.358   24.237   11.588   5.7142 -14.9900   16.619   15.151   6.0852   67.705   32.528  101.319   23.622 -33.61413 40.20073 
1 1 1  -14   19    4 o   78.831   30.703   7.7789   9.0278   0.0000   0.0000   7.7789   9.0278  ?   ?    78.831   30.703 0.000000 30.70344 
1 1 1  -14   19    5 o  178.609   24.225   46.460   10.918   0.0000   0.0000   46.460   10.918  ?   ?   178.609   24.225 0.000000 24.22454 
1 1 1  -14   19    6 o  140.626   28.768   30.410   10.126   0.0000   0.0000   30.410   10.126  ?   ?   140.626   28.768 0.000000 28.76844 
1 1 1  -14   19    7 o   69.713   26.003   6.2397   6.2995   28.320   18.730   3.4234   6.6892  121.575   44.938   63.018   25.782 58.55691 51.80818 
1 1 1  -14   19    8 o  168.987   16.273   39.293   7.0350   5.4210   18.970   44.695   7.5752   89.049   39.885  180.224   16.406 -91.17453 43.12712 
1 1 1  -14   19    9 o  107.758   24.036   17.390   6.5385  -1.8030   18.336   20.186   6.9986   80.555   37.262  116.328   24.022 -35.77331 44.33389 
1 1 1  -14   19   10 o  180.909   15.686   44.955   7.2780   17.560   18.395   50.039   7.9246  102.379   42.409  190.564   16.208 -88.18478 45.40076 
1 1 1  -14   19   11 o  232.994   17.514   75.555   10.493   57.190   20.030   82.502   12.319  171.540   44.645  241.132   19.900 -69.59160 48.87978 
1 1 1  -14   19   12 o   47.556   21.563  -1.9352   5.7413 -28.0100   17.030   1.4084   6.0983   58.978   29.261   55.758   23.825 3.220551 37.73359 
1 1 1  -14   19   13 o  225.640   14.256   69.475   8.2892   48.190   20.872   73.461   9.0320  147.985   47.797  231.282   15.160 -83.29688 50.14384 
1 1 1  -14   19   14 f  123.269   22.552   22.686   6.9355   0.4834   18.653   26.248   7.4711   80.427   37.337  132.809   22.522 -52.38178 43.60364 
1 1 1  -14   19   15 o   89.405   26.245   12.680   6.4763   13.980   18.783   12.504   6.8994   93.741   40.931   88.339   27.348 5.402130 49.22622 
1 1 1  -14   19   16 o  187.409   16.272   49.119   7.8207   25.270   18.394   54.381   8.6406  108.139   43.288  196.459   17.151 -88.32046 46.56213 
1 1 1  -14   19   17 o   71.827   26.745   7.5113   6.6586   18.840   16.433   5.2859   7.2833   98.090   40.302   66.861   27.071 31.22894 48.54994 
1 1 1  -14   19   18 o   56.507   27.103  -9.0224   11.429   1.4550   17.216 -17.2800   15.284   76.888   35.752   59.359   29.115 17.52961 46.10787 
1 1 1  -14   19   19 o  133.943   22.715   27.434   7.5993   41.850   19.281   24.783   8.2686  130.082   45.922  123.684   26.599 6.398331 53.06875 
1 1 1  -14   19   20 o  101.339   26.433   16.982   7.0111   9.1210   18.080   18.373   7.6062   83.133   37.914  104.406   27.677 -21.27328 46.94138 
1 1 1  -14   19   21 o   44.721   21.160  -4.8712   6.4955  -5.7810   17.443  -4.7247   6.9988   68.881   33.152   46.787   22.084 22.09328 39.83443 
1 1 1  -14   19   22 o   82.473   30.599   12.279   8.7004   0.0000   0.0000   12.279   8.7004  ?   ?    82.473   30.599 0.000000 30.59905 
1 1 1  -14   19   23 o   65.662   26.128   6.2924   6.6619   24.580   15.664   2.2539   7.3609   98.468   39.759   58.008   25.468 40.45993 47.21646 
1 1 1  -14   19   24 o  120.904   28.692   26.349   8.8507   8.3080   16.738   33.351   10.428   75.787   35.245  133.796   30.735 -58.00936 46.76337 
1 1 1  -14   19   25 o   47.332   22.196  -2.9140   6.8696   1.4755   9.5808  -7.5585   9.8552   59.854   27.412   50.582   24.486 9.271854 36.75525 
1 1 1  -14   19   26 o   50.292   23.213  -0.9215   7.0585   4.0030   9.7927  -6.2466   10.183   62.834   28.355   51.930   25.078 10.90353 37.85417 
1 1 1  -14   19   27 o   59.688   25.989   4.4010   7.5248  -4.6898   10.928   12.598   10.377   54.172   26.115   76.076   31.710 -21.90432 41.07979 
1 1 1  -14   19   28 o   84.412   36.085   21.009   14.001   32.050   21.272   12.570   18.598   86.740   40.127   73.036   34.907 13.70480 53.18569 
1 1 1  -14   19   29 o   61.089   26.597   5.7275   7.8799  -5.3278   11.044   17.193   11.247   52.511   25.536   80.724   33.274 -28.21280 41.94357 
1 1 1  -14   19   30 o   50.534   23.747  -0.7166   7.9326  -0.8324   11.234  -0.6013   11.203   55.798   26.791   55.967   26.841 -0.1694641 37.92313 
1 1 1  -14   19   31 o   66.755   29.235   10.091   9.6460   35.290   20.956   3.3172   10.865   81.288   38.322   58.297   27.517 22.99060 47.17781 
1 1 1  -14   19   32 o   39.758   20.045 -17.6759   9.6176 -19.0800   21.741 -17.3343   10.724   54.559   27.783   42.292   21.303 12.26698 35.00975 
1 1 1  -14   19   33 f   54.469   26.361   1.8384   11.405   0.0000   0.0000   1.8384   11.405  ?   ?    54.469   26.361 0.000000 26.36094 
1 1 1  -14   20    1 o  124.020   35.715   26.290   12.096   26.290   12.096   0.0000   0.0000  124.020   35.715  ?   ?  0.000000 35.71509 
1 1 1  -14   20    2 o   72.241   34.046  -7.5210   16.516  -7.5210   16.516   0.0000   0.0000   72.241   34.046  ?   ?  0.000000 34.04577 
1 1 1  -14   20    3 o   86.801   29.878   11.552   8.1338   27.790   16.551   6.3820   9.3395  120.862   42.559   75.304   30.597 45.55771 52.41589 
1 1 1  -14   20    4 o   55.208   24.099   0.3228   6.5069   15.560   15.904  -2.7407   7.1311   98.659   39.983   52.052   23.767 46.60651 46.51368 
1 1 1  -14   20    5 o  198.221   14.613   53.527   7.4500   59.330   18.224   52.363   8.1632  183.285   39.547  194.869   16.323 -11.58369 42.78307 
1 1 1  -14   20    6 o  120.590   21.904   21.308   6.5902   25.340   16.970   20.592   7.1514  114.692   42.698  116.920   24.402 -2.227745 49.17924 
1 1 1  -14   20    7 o   43.498   20.402  -4.6191   5.8078  -9.4770   16.252  -3.9079   6.2184   69.300   32.986   46.379   21.540 22.92107 39.39573 
1 1 1  -14   20    8 o   69.196   25.580   6.4694   6.0693  -8.5350   18.129   8.3633   6.4410   73.297   34.874   75.583   26.555 -2.286201 43.83353 
1 1 1  -14   20    9 o  153.370   18.381   33.308   7.1569   38.720   17.807   32.265   7.8159  137.543   44.119  149.221   20.785 -11.67744 48.77039 
1 1 1  -14   20   10 o  158.341   17.425   35.258   7.0287   33.040   18.464   35.633   7.6009  124.229   44.820  158.096   18.938 -33.86646 48.65620 
1 1 1  -14   20   11 o  113.029   23.800   19.452   6.7479   30.840   17.914   17.569   7.2845  120.067   44.019  105.289   26.677 14.77838 51.47182 
1 1 1  -14   20   12 o   71.567   25.417   7.4899   5.9151   30.470   17.690   4.5972   6.2764  118.712   43.710   63.536   25.336 55.17588 50.52211 
1 1 1  -14   20   13 o  103.595   25.574   16.946   6.8213   32.450   19.080   14.674   7.3040  119.083   45.077   94.804   27.884 24.27864 53.00428 
1 1 1  -14   20   14 o   50.475   22.476  -0.4656   5.9314  -5.3140   17.686   0.1488   6.2960   72.618   34.520   53.002   23.401 19.61583 41.70450 
1 1 1  -14   20   15 o   72.144   26.140   7.7898   6.2908  -2.1140   17.554   9.2491   6.7384   74.492   35.104   76.902   27.147 -2.410866 44.37689 
1 1 1  -14   20   16 o   74.685   27.049   8.6295   6.7346   14.190   17.953   7.7189   7.2651   90.390   39.727   72.487   27.725 17.90340 48.44527 
1 1 1  -14   20   17 o   51.139   24.820 -11.1926   10.298 -15.9300   15.768  -7.6690   13.599   60.572   29.683   62.135   29.739 -1.563061 42.01729 
1 1 1  -14   20   18 o  132.285   22.267   26.839   7.3589   33.450   17.987   25.509   8.0648  115.678   43.772  125.793   25.621 -10.11541 50.71901 
1 1 1  -14   20   19 o   46.156   21.636  -3.8744   6.5169 -15.7100   18.457  -2.1887   6.9656   64.200   31.591   50.217   23.136 13.98296 39.15667 
1 1 1  -14   20   20 f   86.078   28.618   13.123   7.4593   0.0000   0.0000   13.123   7.4593  ?   ?    86.078   28.618 0.000000 28.61792 
1 1 1  -14   20   21 o   73.056   29.470   8.6804   8.5972   0.0000   0.0000   8.6804   8.5972  ?   ?    73.056   29.470 0.000000 29.47044 
1 1 1  -14   20   22 o   42.102   20.328  -6.9942   6.6835 -13.9000   18.042  -5.8957   7.1954   62.051   30.665   45.150   21.615 16.90131 37.51775 
1 1 1  -14   20   23 o   72.199   27.669   9.1751   7.2442  -3.9460   18.612   11.518   7.8644   67.086   32.740   78.177   29.075 -11.09105 43.78629 
1 1 1  -14   20   24 o   69.896   27.738   8.6223   7.4895   26.680   19.334   5.4341   8.1238   89.821   40.245   63.398   27.302 26.42376 48.63219 
1 1 1  -14   20   25 o   88.519   31.792   17.283   9.2791  -8.1250   19.430   24.791   10.561   63.178   31.329  103.943   34.028 -40.76494 46.25433 
1 1 1  -14   20   26 o   59.769   27.277   3.2197   9.3784 -10.2300   20.018   7.0017   10.615   61.602   30.750   66.191   29.728 -4.588970 42.77047 
1 1 1  -14   20   27 o   82.237   30.749   15.469   8.8192   14.819   10.011   17.720   18.637   78.532   31.759   75.718   35.831 2.814224 47.87989 
1 1 1  -14   20   28 o   55.077   25.884   0.6243   9.4286   1.2810   19.930   0.4350   10.702   64.322   31.867   56.663   26.911 7.659500 41.71013 
1 1 1  -14   20   29 o   47.690   22.697  -2.3526   7.6911  -5.7263   10.808   1.1079   10.946   50.668   24.775   56.735   27.023 -6.066898 36.66135 
1 1 1  -14   20   30 o   78.832   29.482   15.106   8.1084   27.127   11.732   4.1116   11.219   93.433   35.352   58.816   27.823 34.61723 44.98768 
1 1 1  -14   20   31 o   69.912   28.776   12.410   8.3967   4.8148   12.280   19.080   11.507   58.617   28.109   76.147   32.637 -17.52924 43.07272 
1 1 1  -14   20   32 o   42.035   20.877  -9.0393   8.7608 -27.2800   14.528   1.3848   10.982   43.651   22.271   53.318   25.819 -9.667454 34.09749 
1 1 1  -14   21    1 o  146.206   23.721   31.933   8.6758   28.947   10.368   38.910   15.847  133.186   30.683  143.024   40.783 -9.837784 51.03631 
1 1 1  -14   21    2 o  155.485   30.706   39.134   11.928   18.100   16.907   59.980   16.831  100.659   41.063  186.507   36.145 -85.84796 54.70461 
1 1 1  -14   21    3 o  104.635   34.745   19.152   10.996   27.080   16.452   12.750   14.784  116.211   42.248   91.410   37.954 24.80140 56.79268 
1 1 1  -14   21    4 o   96.901   24.147   14.401   6.0391   22.050   16.928   13.286   6.4645  106.529   41.883   92.094   25.974 14.43444 49.28367 
1 1 1  -14   21    5 o   81.364   25.199   10.201   5.8571   18.580   17.208   9.1035   6.2290  100.635   41.282   77.461   26.155 23.17408 48.87002 
1 1 1  -14   21    6 o  215.182   14.015   63.234   7.7690   23.820   18.551   71.617   8.5554  107.852   43.367  228.619   14.522 -120.7672 45.73379 
1 1 1  -14   21    7 o  248.952   16.371   86.229   10.498   94.730   20.680   83.278   12.185  234.753   35.085  240.986   19.693 -6.232849 40.23346 
1 1 1  -14   21    8 o  116.303   21.589   20.129   6.2646   16.680   16.808   20.686   6.7510   96.444   40.292  116.857   23.122 -20.41336 46.45498 
1 1 1  -14   21    9 o   63.689   24.939   4.9494   5.9806   24.390   16.139   1.8547   6.4390  108.649   41.378   57.182   24.458 51.46700 48.06653 
1 1 1  -14   21   10 o  140.932   20.378   29.124   7.2232   29.380   17.191   29.069   7.9599  115.713   42.996  138.726   22.954 -23.01308 48.73944 
1 1 1  -14   21   11 o  114.729   23.963   20.372   6.8917   27.770   19.047   19.258   7.3926  109.950   44.036  109.553   26.369 0.3972397 51.32758 
1 1 1  -14   21   12 o   63.468   25.091   4.9486   6.1065  -2.5270   17.858   5.9385   6.4982   74.403   35.167   66.890   26.050 7.513641 43.76477 
1 1 1  -14   21   13 o  117.905   22.223   21.165   6.5383   1.5370   17.904   24.185   7.0233   77.369   36.137  126.144   22.311 -48.77565 42.46940 
1 1 1  -14   21   14 o   63.666   25.159   5.1481   6.1373  -0.3829   17.324   5.9419   6.5630   74.454   35.021   66.533   26.104 7.920624 43.67991 
1 1 1  -14   21   15 o  145.666   24.170   33.218   8.8001   25.510   16.728   36.167   10.348  104.757   41.492  147.845   28.046 -43.08748 50.08182 
1 1 1  -14   21   16 o   86.564   34.758   13.908   11.899   20.210   17.347   8.3080   16.351   95.069   40.391   80.371   36.421 14.69814 54.38654 
1 1 1  -14   21   17 o   98.340   26.619   16.344   6.9466   18.790   17.916   15.911   7.5361   91.759   40.023   95.349   28.395 -3.589699 49.07226 
1 1 1  -14   21   18 o   46.882   21.702  -2.4782   6.2374 -16.1600   17.298  -0.4334   6.6872   61.277   30.235   51.768   23.390 9.509499 38.22619 
1 1 1  -14   21   19 o   56.992   25.107   1.8859   7.2082   0.0000   0.0000   1.8859   7.2082  ?   ?    56.992   25.107 0.000000 25.10699 
1 1 1  -14   21   20 o   84.032   29.559   13.298   7.9819  -4.7970   18.407   17.488   8.8581   67.608   32.898   94.358   31.177 -26.75036 45.32441 
1 1 1  -14   21   21 o   43.908   20.960  -5.1219   6.6628 -29.3800   17.834  -1.1868   7.1829   54.174   27.311   50.892   23.464 3.281551 36.00596 
1 1 1  -14   21   22 o   76.453   27.660   10.930   7.0399   15.940   18.974   10.130   7.5810   80.043   37.324   73.794   28.299 6.248795 46.83905 
1 1 1  -14   21   23 o   83.956   28.901   14.122   7.6106   16.190   19.289   13.740   8.2826   78.295   36.867   81.504   29.924 -3.209030 47.48252 
1 1 1  -14   21   24 o  108.009   27.594   22.162   7.7484   27.870   20.034   21.158   8.4023   85.658   39.380  101.537   29.919 -15.87946 49.45602 
1 1 1  -14   21   25 o   49.586   23.185  -1.1676   7.4019   3.3480   18.887  -1.9870   8.0456   66.428   32.538   50.065   23.646 16.36245 40.22230 
1 1 1  -14   21   26 o   50.515   23.663  -0.7300   7.7718  -8.7340   18.816   0.9164   8.5338   59.314   29.639   54.115   25.166 5.198952 38.88192 
1 1 1  -14   21   27 o   83.140   32.089   17.953   9.7918   24.040   18.716   15.659   11.490   77.272   36.364   75.475   32.486 1.797394 48.76151 
1 1 1  -14   21   28 o   78.696   31.552   16.660   9.7894   25.060   19.140   13.684   11.392   75.529   35.906   71.033   31.414 4.495430 47.70835 
1 1 1  -14   21   29 o   54.383   24.496   3.8207   7.2689   3.5136   9.8416   4.1892   10.782   56.452   26.503   57.888   27.351 -1.436214 38.08500 
1 1 1  -14   21   30 o   56.939   25.831   5.6351   8.2532   9.8110   12.022   1.9124   11.351   62.480   29.320   54.864   26.491 7.616543 39.51479 
1 1 1  -14   21   31 o   54.856   25.451   4.9991   8.6486  -8.5840   13.415   14.660   11.314   48.908   24.525   66.387   30.166 -17.47926 38.87767 
1 1 1  -14   22    1 o  155.274   19.320   34.821   7.6028   31.046   11.407   37.838   10.198  133.619   33.123  155.645   26.227 -22.02597 42.24946 
1 1 1  -14   22    2 o  183.482   16.896   47.385   7.9399   55.603   11.721   40.415   10.794  191.326   24.190  160.087   26.990 31.23936 36.24419 
1 1 1  -14   22    3 o  177.588   19.733   45.698   8.9239   49.110   17.453   44.491   10.384  155.822   42.200  170.961   24.119 -15.13866 48.60591 
1 1 1  -14   22    4 o  122.516   33.944   26.867   11.144   48.850   16.641   8.9950   15.005  157.995   40.479   83.716   36.568 74.27870 54.55023 
1 1 1  -14   22    5 o  115.128   34.127   24.035   10.905   47.220   17.149   8.2980   14.129  151.910   42.117   81.725   35.597 70.18493 55.14479 
1 1 1  -14   22    6 o  101.223   24.358   16.069   6.3091   11.560   17.038   16.786   6.7919   87.916   38.669  102.569   25.635 -14.65311 46.39460 
1 1 1  -14   22    7 o  128.408   20.212   24.323   6.5005   18.160   17.779   25.274   6.9840   96.143   40.870  129.936   21.502 -33.79274 46.18121 
1 1 1  -14   22    8 o   80.760   26.157   10.464   6.2478   22.000   16.998   8.6622   6.7181  101.395   41.246   74.874   27.031 26.52014 49.31489 
1 1 1  -14   22    9 o   79.916   25.903   10.250   6.1261 -10.6800   15.412   14.177   6.6762   63.720   30.791   93.048   26.450 -29.32811 40.59146 
1 1 1  -14   22   10 o   57.786   24.336   2.7545   6.2090 -18.5300   15.932   6.5659   6.7420   59.446   29.270   68.513   26.575 -9.067005 39.53490 
1 1 1  -14   22   11 o   61.474   25.155   4.1879   6.3691   2.2860   17.716   4.4702   6.8255   76.825   35.904   63.119   25.958 13.70523 44.30542 
1 1 1  -14   22   12 o  171.878   17.151   42.364   7.5340  -6.0560   17.703   53.073   8.3256   69.763   33.532  192.838   16.836 -123.0750 37.52123 
1 1 1  -14   22   13 o   56.456   23.863   2.6444   6.0052  -1.5540   16.294   3.3043   6.4600   70.790   33.500   59.148   24.862 11.64281 41.71811 
1 1 1  -14   22   14 o   48.466   22.933  -5.0457   7.6321   11.200   16.403  -9.5347   8.6223   82.725   37.067   46.932   22.763 35.79263 43.49864 
1 1 1  -14   22   15 o   69.398   27.497   7.2160   7.3492   8.2230   16.326   6.9600   8.2302   78.570   35.908   69.689   28.564 8.880440 45.88388 
1 1 1  -14   22   16 f   56.472   24.351   2.4448   6.4798  -2.1110   16.702   3.2520   7.0304   68.931   32.982   59.443   25.495 9.487949 41.68708 
1 1 1  -14   22   17 o   85.966   29.024   13.617   7.6708   0.0000   0.0000   13.617   7.6708  ?   ?    85.966   29.024 0.000000 29.02431 
1 1 1  -14   22   18 o   76.006   29.382   10.473   8.2195   0.0000   0.0000   10.473   8.2195  ?   ?    76.006   29.382 0.000000 29.38192 
1 1 1  -14   22   19 o   88.388   27.972   14.583   7.1765   16.840   16.616   14.065   7.9569   82.976   37.235   85.041   29.535 -2.065048 47.52623 
1 1 1  -14   22   20 o   57.623   24.917   3.4905   6.8227  -0.5539   15.575   4.4509   7.5897   65.114   31.336   60.794   26.284 4.320080 40.89997 
1 1 1  -14   22   21 o   74.112   27.688   10.500   7.1481   3.4750   16.684   12.080   7.9110   67.845   32.594   77.549   29.098 -9.704193 43.69289 
1 1 1  -14   22   22 o   54.452   24.308   2.2477   6.9844   21.850   17.711  -1.3622   7.6004   82.047   37.460   50.277   23.504 31.76990 44.22283 
1 1 1  -14   22   23 f   77.298   28.019   12.310   7.2283   19.210   17.880   10.962   7.9029   77.544   36.183   72.704   28.607 4.839806 46.12577 
1 1 1  -14   22   24 o   45.582   21.761  -3.5499   7.1850  -3.4800   17.614  -3.5639   7.8695   60.814   30.099   47.336   22.647 13.47790 37.66720 
1 1 1  -14   22   25 o   56.449   25.178   3.9546   7.4762   9.6290   17.361   2.6628   8.2836   67.203   32.524   55.473   25.436 11.72947 41.28894 
1 1 1  -14   22   26 o   57.542   26.676   3.7316   9.4746   15.700   16.217  -2.4705   11.674   70.454   33.364   53.978   26.250 16.47618 42.45319 
1 1 1  -14   22   27 o   51.221   23.843   1.2048   7.6897  -4.1240   18.548   2.3107   8.4501   57.914   29.011   53.786   25.023 4.127460 38.31187 
1 1 1  -14   22   28 o   69.789   28.547   12.318   8.1996   11.800   20.455   12.417   8.9501   63.618   31.648   68.793   29.108 -5.174595 42.99842 
1 1 1  -14   22   29 o   52.595   24.197   3.5131   7.5813  -8.6290   21.021   5.3285   8.1283   54.799   27.847   55.671   25.402 -0.8721008 37.69242 
1 1 1  -14   22   30 f   49.535   24.366  -1.8803   10.949   0.0000   0.0000  -1.8803   10.949  ?   ?    49.535   24.366 0.000000 24.36602 
1 1 1  -14   23    1 o   50.202   23.016  -2.1613   6.7789  -4.1212   10.064  -0.5333   9.1718   57.582   26.959   59.856   27.184 -2.274498 38.28527 
1 1 1  -14   23    2 o   59.685   25.252   2.9672   6.7351 -11.3174   10.216   13.950   8.9576   50.883   24.702   89.178   31.317 -38.29446 39.88625 
1 1 1  -14   23    3 o   40.380   19.590  -8.4589   6.3964   2.6852   9.1356 -19.1753   8.9586   64.651   28.379   41.170   20.554 23.48040 35.04045 
1 1 1  -14   23    4 o   84.889   29.248   12.229   7.7953 -19.4700   15.948   22.179   8.9354   58.833   29.029  113.182   29.995 -54.34944 41.74208 
1 1 1  -14   23    5 f   75.429   31.850   7.6679   10.679   14.580   15.678   1.6850   14.587   89.044   38.128   72.456   33.417 16.58788 50.69973 
1 1 1  -14   23    6 o   72.064   31.170   5.7954   10.682   26.460   16.863  -8.0550   13.805  106.245   41.793   61.942   29.730 44.30326 51.28809 
1 1 1  -14   23    7 o  100.071   29.090   17.396   7.9909   18.130   16.891   17.184   9.0702   93.125   39.717   97.158   31.522 -4.032921 50.70558 
1 1 1  -14   23    8 o   88.602   26.185   13.069   6.4275   12.320   16.442   13.204   6.9831   85.161   37.697   88.112   27.552 -2.950890 46.69247 
1 1 1  -14   23    9 o   37.455   18.298  -8.8172   5.8578 -10.0700   16.918  -8.6465   6.2441   65.289   31.716   39.274   19.122 26.01477 37.03473 
1 1 1  -14   23   10 o   89.232   26.338   13.432   6.5063   8.2060   17.028   14.326   7.0406   79.878   36.568   91.218   27.509 -11.34018 45.75999 
1 1 1  -14   23   11 o   80.356   26.942   10.978   6.6091   11.420   17.076   10.900   7.1677   82.617   37.349   79.674   28.012 2.943359 46.68605 
1 1 1  -14   23   12 o   44.029   20.751  -4.1274   6.1366  -7.5930   16.395  -3.5628   6.6177   64.976   31.484   46.618   21.837 18.35751 38.31619 
1 1 1  -14   23   13 o   38.181   19.114 -17.6653   7.9893 -29.0600   16.142 -13.9683   9.1945   52.734   26.506   44.586   22.007 8.148235 34.45127 
1 1 1  -14   23   14 o   61.973   26.314   4.3731   7.3544   14.870   16.752   1.8670   8.1853   83.744   37.496   58.963   26.319 24.78069 45.81105 
1 1 1  -14   23   15 o   88.456   27.448   14.129   6.9453 -25.2600   17.428   21.566   7.5726   55.739   27.951  111.424   26.604 -55.68545 38.58803 
1 1 1  -14   23   16 o  107.556   30.601   22.403   8.9322   0.0000   0.0000   22.403   8.9322  ?   ?   107.556   30.601 0.000000 30.60082 
1 1 1  -14   23   17 o   60.124   26.174   3.9137   7.6300   4.2790   17.728   3.8306   8.4530   70.969   33.964   61.282   27.083 9.687485 43.43956 
1 1 1  -14   23   18 o   54.487   24.086   2.1545   6.6895  -9.1980   17.953   3.9849   7.2087   61.835   30.564   59.022   25.567 2.813126 39.84797 
1 1 1  -14   23   19 f   48.419   22.646  -1.9259   7.0714  -3.9850   17.603  -1.5296   7.7219   63.343   31.105   50.661   23.686 12.68179 39.09666 
1 1 1  -14   23   20 o   58.337   25.264   4.3565   7.0352  -5.3310   16.977   6.3648   7.7301   61.028   30.081   63.084   26.886 -2.055614 40.34538 
1 1 1  -14   23   21 o   51.095   23.458   0.5044   7.0766  -5.3390   17.378   1.6660   7.7482   60.423   29.903   54.220   24.763 6.203342 38.82577 
1 1 1  -14   23   22 f   69.624   27.409   9.9361   7.2584   3.8750   15.828   11.550   8.1679   63.765   30.907   72.572   28.914 -8.806705 42.32365 
1 1 1  -14   23   23 o   53.837   24.129   2.9444   6.9551   3.4360   15.692   2.8243   7.7588   62.323   30.338   54.837   24.942 7.485973 39.27454 
1 1 1  -14   23   24 o   46.701   22.211  -2.1703   7.3384  -2.2380   17.397  -2.1556   8.0937   59.076   29.355   48.385   23.098 10.69146 37.35277 
1 1 1  -14   23   25 o   49.221   23.810  -3.0217   9.2784   4.9380   17.474  -6.1469   10.949   61.670   30.421   49.473   24.341 12.19680 38.96064 
1 1 1  -14   23   26 o   55.369   25.718   3.8400   8.8698   16.550   19.445   0.5007   9.9671   66.313   32.590   52.797   25.320 13.51590 41.26963 
1 1 1  -14   23   27 o   59.354   26.263   7.4711   7.9733   18.030   20.712   5.6340   8.6391   64.662   32.113   56.606   25.963 8.056362 41.29568 
1 1 1  -14   23   28 o   46.475   22.409  -1.4545   8.0575 -19.9000   20.424   1.9456   8.7687   50.511   25.823   51.009   24.265 -0.4980392 35.43485 
1 1 1  -14   23   29 o   60.314   27.348   10.422   9.2357   0.0000   0.0000   10.422   9.2357  ?   ?    60.314   27.348 0.000000 27.34828 
1 1 1  -14   24    1 f  103.759   24.922   17.559   6.6141   11.691   9.5615   22.944   9.1589   81.562   31.645  113.016   30.555 -31.45355 43.98854 
1 1 1  -14   24    2 o   79.864   27.224   10.764   6.7495   15.734   9.7432   6.1780   9.3589   91.129   32.593   69.951   29.691 21.17805 44.08949 
1 1 1  -14   24    3 o   85.251   26.963   12.390   6.6686   7.8455   9.4424   16.913   9.4193   73.146   30.349   94.553   32.161 -21.40774 44.21984 
1 1 1  -14   24    4 o  112.397   28.186   21.803   8.1912   36.390   16.527   17.052   9.4312  121.589   42.547   94.729   32.182 26.86000 53.34684 
1 1 1  -14   24    5 o  118.825   22.356   22.074   6.6285   4.2610   16.429   25.537   7.2443   74.982   34.886  127.626   22.747 -52.64366 41.64694 
1 1 1  -14   24    6 o   61.846   27.042   3.0264   8.2238   5.0220   15.793   2.2839   9.6329   74.837   34.605   63.385   28.403 11.45234 44.76886 
1 1 1  -14   24    7 f   87.731   33.823   15.267   10.869   10.190   15.531   20.140   15.216   79.805   35.890   93.291   38.601 -13.48594 52.70798 
1 1 1  -14   24    8 o   92.893   34.579   17.925   11.129   13.560   15.739   22.290   15.739   83.411   36.904   95.543   39.370 -12.13213 53.96210 
1 1 1  -14   24    9 o   36.277   17.964 -11.6899   6.3047 -13.8400   15.681 -11.2753   6.8858   59.273   29.157   38.897   19.170 20.37536 34.89402 
1 1 1  -14   24   10 o   90.350   26.550   14.285   6.6245   2.6140   16.952   16.388   7.1968   71.976   34.093   95.986   27.521 -24.00983 43.81478 
1 1 1  -14   24   11 o   44.831   21.698  -7.8545   7.7293 -12.4200   16.861  -6.6399   8.6969   61.200   30.130   49.013   23.544 12.18656 38.23734 
1 1 1  -14   24   12 o  114.484   36.535   29.482   12.223   17.830   17.967   39.520   16.677   84.875   38.345  119.137   42.638 -34.26160 57.34413 
1 1 1  -14   24   13 o  102.548   31.630   21.231   9.2390   0.0000   0.0000   21.231   9.2390  ?   ?   102.548   31.630 0.000000 31.63016 
1 1 1  -14   24   14 o   60.874   26.711   3.9522   8.0873   0.0000   0.0000   3.9522   8.0873  ?   ?    60.874   26.711 0.000000 26.71122 
1 1 1  -14   24   15 o   55.258   24.827   1.6942   7.4115  -5.1270   16.510   3.4157   8.2941   62.625   30.621   59.756   26.596 2.868694 40.55878 
1 1 1  -14   24   16 o   52.919   23.747   1.4206   6.7590   0.9146   16.188   1.5274   7.4384   65.423   31.600   54.594   24.668 10.82893 40.08843 
1 1 1  -14   24   17 o   50.288   22.941   0.3056   6.6246  -5.5560   17.904   1.2353   7.1306   62.040   30.639   53.000   24.031 9.040245 38.93867 
1 1 1  -14   24   18 o   59.133   25.492   4.9067   7.0971   19.440   18.943   2.5336   7.6546   77.333   36.450   55.632   25.091 21.70078 44.25134 
1 1 1  -14   24   19 o   85.091   29.242   15.768   7.7900 -26.9200   18.991   24.404   8.5417   52.995   26.883  108.272   29.606 -55.27645 39.98967 
1 1 1  -14   24   20 o   58.787   25.713   5.1781   7.4416   14.710   18.386   3.3107   8.1379   70.948   34.119   56.402   25.612 14.54563 42.66227 
1 1 1  -14   24   21 o   43.859   21.203  -4.8817   7.3290 -19.5500   17.542  -1.7796   8.0669   52.482   26.533   49.002   23.300 3.480331 35.31137 
1 1 1  -14   24   22 o   61.920   26.396   7.4693   7.4546  -3.1770   17.830   9.7246   8.2062   58.477   29.163   66.256   27.945 -7.779091 40.39056 
1 1 1  -14   24   23 o   49.602   23.197   0.5044   7.4159  -5.1920   17.738   1.7109   8.1635   56.632   28.370   52.395   24.449 4.237068 37.45084 
1 1 1  -14   24   24 o   48.804   23.690  -2.8406   9.3918  -4.6900   18.620  -2.2096   10.877   56.360   28.348   51.417   25.079 4.943008 37.84856 
1 1 1  -14   24   25 o   69.487   29.604   13.917   9.3655   53.570   20.384   3.3068   10.544   88.424   40.300   54.974   26.278 33.44931 48.11032 
1 1 1  -14   24   26 o   51.590   24.099   3.0196   7.9660  -5.4850   20.570   4.5200   8.6402   54.494   27.677   54.040   25.195 0.4537086 37.42733 
1 1 1  -14   24   27 o   41.371   20.465  -6.6206   8.1057   13.800   20.454 -10.4251   8.8285   59.034   29.695   40.255   20.143 18.77938 35.88252 
1 1 1  -14   24   28 o   43.507   21.542  -4.9109   9.0567   0.0000   0.0000  -4.9109   9.0567  ?   ?    43.507   21.542 0.000000 21.54165 
1 1 1  -14   25    1 o   93.578   26.644   15.309   6.7689   9.2144   9.5757   21.396   9.5696   74.163   30.649  104.248   32.197 -30.08441 44.45270 
1 1 1  -14   25    2 o  109.318   24.963   19.978   6.9134   18.117   9.8740   21.768   9.6829   94.333   32.894  104.825   32.389 -10.49193 46.16330 
1 1 1  -14   25    3 o   54.080   23.783   1.5360   6.4425   6.2876   9.3755  -2.7149   8.8678   68.313   29.374   53.982   25.284 14.33139 38.75706 
1 1 1  -14   25    4 o  109.990   24.798   20.231   6.8964   16.092   9.6068   24.631   9.9060   89.240   32.308  111.807   32.356 -22.56645 45.72449 
1 1 1  -14   25    5 o  134.962   27.131   31.477   9.1558   26.520   17.303   33.405   10.790   96.968   40.721  132.437   31.845 -35.46830 51.69434 
1 1 1  -14   25    6 o  131.539   21.009   27.056   6.9173   29.100   16.808   26.639   7.5899  100.990   41.041  127.433   23.871 -26.44334 47.47787 
1 1 1  -14   25    7 o   65.521   25.790   6.6777   6.4254  -7.9200   16.069   9.4559   7.0102   62.174   30.360   73.355   27.417 -11.18134 40.90741 
1 1 1  -14   25    8 o   72.295   28.340   9.2097   7.7295   27.480   15.155   2.7856   8.9862  100.167   39.550   60.958   27.366 39.20894 48.09495 
1 1 1  -14   25    9 o   67.124   30.425   5.1304   11.419 -14.5200   16.409   23.580   15.900   58.205   28.850   91.731   38.805 -33.52664 48.35456 
1 1 1  -14   25   10 o   54.471   26.262  -5.8393   11.057 -29.3000   16.480   13.370   14.912   51.474   25.987   78.196   35.167 -26.72186 43.72678 
1 1 1  -14   25   11 o   49.518   23.705  -4.9726   8.6516   0.0000   0.0000  -4.9726   8.6516  ?   ?    49.518   23.705 0.000000 23.70528 
1 1 1  -14   25   12 o   58.675   26.452   2.7452   8.4971   0.0000   0.0000   2.7452   8.4971  ?   ?    58.675   26.452 0.000000 26.45209 
1 1 1  -14   25   13 o   64.480   31.464  -1.0950   17.173  -1.0950   17.173   0.0000   0.0000   64.480   31.464  ?   ?  0.000000 31.46386 
1 1 1  -14   25   14 o   52.443   23.708   1.2988   6.8811  -4.7680   17.416   2.4211   7.4906   61.778   30.454   55.542   24.957 6.236382 39.37388 
1 1 1  -14   25   15 o   67.672   26.893   8.7083   7.0487   24.040   17.173   5.6021   7.7299   82.787   37.437   61.053   26.461 21.73413 45.84480 
1 1 1  -14   25   16 o   57.696   24.972   4.6171   6.8659   7.5430   16.000   3.9567   7.6014   66.985   32.112   57.357   25.498 9.628124 41.00424 
1 1 1  -14   25   17 o   80.471   28.219   13.989   7.2718  -4.8090   17.970   17.671   7.9520   59.747   29.712   89.156   29.544 -29.40968 41.90024 
1 1 1  -14   25   18 o   40.123   19.679  -7.7394   6.9808 -31.9500   18.486  -3.7125   7.5391   49.778   25.373   45.703   21.945 4.074547 33.54625 
1 1 1  -14   25   19 o   71.896   28.283   11.907   7.7230  -0.4863   18.802   14.422   8.4706   60.407   30.097   76.477   29.754 -16.07053 42.32172 
1 1 1  -14   25   20 o   65.839   27.229   9.5930   7.5662 -21.1900   18.762   15.571   8.2683   51.969   26.399   78.830   29.714 -26.86110 39.74684 
1 1 1  -14   25   21 o   66.018   27.139   9.9740   7.4566 -22.6300   18.623   16.199   8.1373   50.775   25.842   79.822   29.597 -29.04734 39.29107 
1 1 1  -14   25   22 o   40.024   19.701  -7.2892   7.1978   7.1170   18.848  -9.7490   7.7881   60.784   30.261   39.627   19.682 21.15691 36.09819 
1 1 1  -14   25   23 o   35.020   17.851 -24.2838   9.1576 -22.5300   18.501 -24.8530   10.539   49.266   25.136   37.828   19.270 11.43789 31.67250 
1 1 1  -14   25   24 o   40.667   20.368 -11.5824   9.1231  -9.2210   19.164 -12.2745   10.374   52.541   26.688   42.631   21.403 9.910519 34.21056 
1 1 1  -14   25   25 o   46.295   22.301  -0.6704   7.9348 -28.2000   19.648   4.6947   8.6736   47.035   24.138   53.051   24.898 -6.015968 34.67791 
1 1 1  -14   25   26 o   48.272   23.126   1.6967   8.2682  -6.4070   20.729   3.2299   9.0165   51.321   26.220   50.452   24.165 0.8695450 35.65673 
1 1 1  -14   25   27 o   52.713   26.414   6.4660   15.430   0.0000   0.0000   6.4660   15.430  ?   ?    52.713   26.414 0.000000 26.41404 
1 1 1  -14   26    1 o  124.712   21.607   25.005   6.7272   18.623   9.6511   31.036   9.3819   92.837   32.512  129.888   28.654 -37.05112 43.33669 
1 1 1  -14   26    2 o   95.267   26.358   16.403   6.7240   25.583   9.8223   8.3077   9.2242  111.438   32.210   69.798   29.543 41.64001 43.70678 
1 1 1  -14   26    3 o  142.939   20.631   32.289   7.4177   23.766   10.578   40.535   10.404  103.023   34.072  150.186   27.767 -47.16250 43.95328 
1 1 1  -14   26    4 o   90.312   27.249   15.256   6.9069   4.5427   9.6120   26.694   9.9315   63.489   28.417  113.582   32.251 -50.09304 42.98378 
1 1 1  -14   26    5 o   81.772   29.538   13.485   8.0234   17.250   15.136   12.013   9.4622   81.685   36.163   76.590   30.910 5.094612 47.57294 
1 1 1  -14   26    6 o   72.093   25.333   9.3332   5.8620  -6.9140   15.211   12.167   6.3527   59.635   29.208   80.830   26.388 -21.19495 39.36318 
1 1 1  -14   26    7 o   48.494   22.972  -3.3016   7.6981  -0.0436   16.135  -4.2617   8.7593   64.825   31.368   50.137   23.961 14.68815 39.47287 
1 1 1  -14   26    8 o   63.858   28.798   5.2265   10.081   0.0000   0.0000   5.2265   10.081  ?   ?    63.858   28.798 0.000000 28.79819 
1 1 1  -14   26    9 o   49.626   24.241  -8.1430   10.271   0.0000   0.0000  -8.1430   10.271  ?   ?    49.626   24.241 0.000000 24.24126 
1 1 1  -14   26   10 o   37.597   19.117 -27.9606   10.017 -34.2300   15.964 -23.8900   12.864   47.389   24.100   45.709   23.063 1.679756 33.35698 
1 1 1  -14   26   11 f   47.617   23.723 -14.6698   11.672 -26.4600   16.988  -4.1270   16.064   51.162   25.895   60.088   29.548 -8.925041 39.28920 
1 1 1  -14   26   12 o   39.301   19.609 -13.7963   8.1013  -2.7020   16.583 -17.2741   9.2847   60.742   29.900   40.434   20.293 20.30868 36.13572 
1 1 1  -14   26   13 o   90.852   28.492   17.432   7.4617   36.930   17.976   13.373   8.2017   93.009   40.332   76.795   29.438 16.21496 49.93262 
1 1 1  -14   26   14 o   47.429   22.296  -1.3353   7.0040   9.8110   17.998  -3.3245   7.6033   67.228   32.671   46.471   22.240 20.75747 39.52246 
1 1 1  -14   26   15 o   56.091   24.680   4.3931   6.9460   3.5690   16.881   4.5610   7.6210   62.249   30.546   57.089   25.445 5.160095 39.75624 
1 1 1  -14   26   16 o   38.845   19.106  -7.9398   6.7282 -35.7400   15.624  -1.6111   7.4548   44.408   22.694   47.439   22.510 -3.030624 31.96445 
1 1 1  -14   26   17 o   68.726   27.590   10.866   7.4955 -11.0500   17.749   15.622   8.2690   54.399   27.402   78.769   29.709 -24.36942 40.41650 
1 1 1  -14   26   18 o   50.649   23.498   1.5858   7.3720 -27.3000   18.612   6.9610   8.0287   49.413   25.211   59.696   26.387 -10.28251 36.49511 
1 1 1  -14   26   19 o   57.110   25.439   5.8915   7.6040 -12.6000   18.960   9.4357   8.3008   53.386   27.057   63.340   27.437 -9.953949 38.53391 
1 1 1  -14   26   20 o   41.251   20.181  -5.5957   7.1982 -13.3100   19.169  -4.3294   7.7666   52.572   26.703   43.753   21.308 8.818485 34.16227 
1 1 1  -14   26   21 o   41.473   20.331  -5.5460   7.4208   4.3630   19.143  -7.2984   8.0503   57.634   28.955   41.458   20.487 16.17613 35.46973 
1 1 1  -14   26   22 o   38.492   19.505 -18.1963   9.8274   15.200   19.051 -30.3051   11.472   60.784   30.287   37.195   19.042 23.58871 35.77561 
1 1 1  -14   26   23 o   53.880   25.557   5.4675   9.5913   13.130   19.960   3.1671   10.937   58.182   29.275   52.285   25.423 5.897038 38.77313 
1 1 1  -14   26   24 o   52.441   24.516   5.4626   8.2702   6.1780   20.129   5.3174   9.0711   54.285   27.551   52.452   24.872 1.832684 37.11723 
1 1 1  -14   26   25 o   47.474   23.045   1.5796   8.8880   0.0000   0.0000   1.5796   8.8880  ?   ?    47.474   23.045 0.000000 23.04511 
1 1 1  -14   27    1 o   66.883   26.069   8.2271   6.5118   7.7647   8.9406   8.7497   9.5034   66.076   28.548   67.943   29.394 -1.867180 40.97545 
1 1 1  -14   27    2 o   73.668   28.097   11.049   7.4480   22.040   12.025   4.2084   9.4865   89.499   35.265   60.752   27.612 28.74713 44.78908 
1 1 1  -14   27    3 o   76.133   28.610   12.140   7.6540   7.0280   12.682   15.069   9.5996   66.414   30.815   79.996   31.512 -13.58192 44.07453 
1 1 1  -14   27    4 o   50.092   23.211  -0.3414   7.1605  -1.6800   11.843   0.4300   8.9900   57.002   27.405   54.814   25.604 2.187576 37.50445 
1 1 1  -14   27    5 o   88.061   31.300   18.011   8.9721   18.000   13.309   18.020   12.147   79.267   34.537   80.856   34.045 -1.589111 48.49624 
1 1 1  -14   27    6 o   85.769   38.089   27.660   16.918   27.660   16.918   0.0000   0.0000   85.769   38.089  ?   ?  0.000000 38.08855 
1 1 1  -14   27    7 o   65.195   28.392   8.0060   8.9847  -5.6030   14.859   15.850   11.281   57.093   28.142   77.375   32.706 -20.28150 43.14682 
1 1 1  -14   27    8 o   86.003   28.368   15.799   7.3351   36.040   17.722   11.614   8.0576   92.232   40.021   72.587   28.782 19.64503 49.29567 
1 1 1  -14   27    9 o   57.039   24.808   4.6674   6.8414   5.6020   16.002   4.4583   7.5679   64.161   31.093   57.426   25.490 6.735298 40.20598 
1 1 1  -14   27   10 o  102.657   28.270   21.956   7.7560   2.5680   18.014   26.368   8.5933   62.518   30.848  111.493   29.353 -48.97499 42.58150 
1 1 1  -14   27   11 o   72.188   27.579   11.519   7.1836   40.980   18.301   6.1531   7.8105   92.383   40.368   59.856   26.258 32.52695 48.15643 
1 1 1  -14   27   12 o   50.010   23.936  -1.6476   8.8100  -1.2840   17.095  -1.7791   10.280   58.822   29.206   52.210   25.209 6.611790 38.58109 
1 1 1  -14   27   13 o   45.425   22.846 -16.3073   12.086  -9.0030   17.619 -22.8000   16.611   55.142   27.713   49.188   24.971 5.953205 37.30363 
1 1 1  -14   27   14 o   51.858   24.460   1.0891   8.5580  -8.5740   18.042   3.8946   9.7213   55.018   27.702   56.374   26.426 -1.356586 38.28514 
1 1 1  -14   27   15 o   87.795   28.577   18.143   7.4526   49.140   17.622   11.392   8.2243   97.810   41.086   67.530   28.196 30.28006 49.83035 
1 1 1  -14   27   16 o   59.841   25.848   7.5596   7.3258   5.5900   17.600   7.9724   8.0570   59.443   29.535   60.417   26.582 -0.9734955 39.73587 
1 1 1  -14   27   17 o   46.170   21.916  -0.6335   7.0783 -19.9100   17.736   3.0185   7.7197   49.306   25.106   51.935   24.078 -2.628712 34.78580 
1 1 1  -14   27   18 o   62.916   26.611   9.7709   7.4756  -4.3420   18.404   12.559   8.1808   54.064   27.315   67.622   28.169 -13.55786 39.23737 
1 1 1  -14   27   19 o   57.171   25.409   7.2021   7.5434  -5.2140   19.009   9.5226   8.2181   53.220   26.986   60.845   26.806 -7.625183 38.03664 
1 1 1  -14   27   20 o   39.107   19.465  -8.6194   7.7804 -19.5300   19.388  -6.5252   8.4943   48.673   24.906   42.096   20.846 6.577061 32.47873 
1 1 1  -14   27   21 o   68.035   30.228   18.201   10.668  -2.4180   20.067   26.325   12.596   52.386   26.678   74.028   32.870 -21.64140 42.33397 
1 1 1  -14   27   22 o   43.628   21.659  -4.7269   9.3890   19.040   19.608 -11.7977   10.695   57.809   29.078   41.525   20.961 16.28423 35.84555 
1 1 1  -14   27   23 o   38.839   19.374  -7.2416   7.8895 -23.9300   19.857  -4.1134   8.5972   45.283   23.281   42.209   20.915 3.074024 31.29580 
1 1 1  -14   27   24 o   37.921   19.267 -14.7207   10.029   0.0000   0.0000 -14.7207   10.029  ?   ?    37.921   19.267 0.000000 19.26660 
1 1 1  -14   28    1 o   55.579   24.828   3.8848   7.2994  -0.4474   9.8000   9.2830   10.940   53.357   25.457   65.512   29.728 -12.15479 39.13840 
1 1 1  -14   28    2 o   53.551   24.632   2.1765   7.8514   2.4240   15.059   2.0841   9.2010   60.543   29.525   55.261   25.842 5.281876 39.23722 
1 1 1  -14   28    3 o   47.400   23.487  -9.8681   10.844 -19.6100   15.514  -0.5598   15.165   49.776   25.140   58.561   28.780 -8.784607 38.21373 
1 1 1  -14   28    4 o   50.457   24.541  -3.9785   10.211  -2.1090   14.916  -5.6270   14.007   57.250   28.215   54.350   26.889 2.900391 38.97518 
1 1 1  -14   28    5 o  102.451   27.106   21.467   7.3048   16.579   10.200   26.613   10.467   77.003   31.708   98.707   33.897 -21.70451 46.41578 
1 1 1  -14   28    6 o   73.068   27.179   11.870   6.8727   13.192   9.7920   10.586   9.6485   70.965   30.253   66.635   29.209 4.329857 42.05235 
1 1 1  -14   28    7 o   44.294   21.536  -5.1108   7.8446  -9.6860   15.927  -3.6454   9.0138   53.486   26.806   48.123   23.325 5.362621 35.53351 
1 1 1  -14   28    8 o   89.031   28.237   17.878   7.3097   5.5530   16.149   21.054   8.1975   61.085   29.955   94.100   29.908 -33.01513 42.32995 
1 1 1  -14   28    9 o  119.212   26.311   28.485   7.9071 -12.8900   18.263   38.031   8.7719   53.515   27.057  141.006   24.928 -87.49171 36.79021 
1 1 1  -14   28   10 o   93.754   29.092   20.631   7.8026   10.780   18.776   22.688   8.5783   63.038   31.177   95.260   30.629 -32.22156 43.70535 
1 1 1  -14   28   11 o   69.472   27.574   11.824   7.4017   8.1650   17.868   12.582   8.1323   61.043   30.230   69.742   28.468 -8.699028 41.52444 
1 1 1  -14   28   12 f   41.308   20.152  -5.1465   7.0348 -16.6000   17.246  -2.8604   7.7049   50.198   25.479   45.115   21.793 5.082821 33.52847 
1 1 1  -14   28   13 o   47.953   22.534   0.7401   7.1433 -17.5900   17.771   4.2723   7.8012   49.890   25.377   53.681   24.640 -3.791298 35.37146 
1 1 1  -14   28   14 o   57.722   26.624   7.1671   9.2628   27.720   17.694  -0.5922   10.872   70.278   33.711   50.959   24.902 19.31966 41.91148 
1 1 1  -14   28   15 o   46.767   23.384  -8.1332   11.794  -6.0750   16.343 -10.3700   17.038   51.744   26.093   50.646   25.666 1.098438 36.60047 
1 1 1  -14   28   16 o   41.140   20.492  -8.7422   8.6910  -1.6800   16.744 -11.3463   10.168   53.021   26.696   42.290   21.226 10.73077 34.10589 
1 1 1  -14   28   17 o   44.494   21.446  -1.2638   7.3631   18.490   18.614  -4.9282   8.0170   60.731   30.208   42.275   20.805 18.45592 36.67917 
1 1 1  -14   28   18 o   89.224   29.602   22.323   7.9824  -2.6510   19.558   27.314   8.7437   52.039   26.485   97.915   30.864 -45.87589 40.66994 
1 1 1  -14   28   19 o   50.700   24.464   3.8899   9.6410   17.430   19.296  -0.6148   11.130   57.418   28.877   48.160   23.852 9.257504 37.45368 
1 1 1  -14   28   20 o   44.552   22.077  -2.8054   9.5824 -24.9800   19.289   4.4600   11.041   44.982   23.117   50.680   24.836 -5.697845 33.92941 
1 1 1  -14   28   21 o   45.513   22.074   1.2308   8.1077   10.310   20.025  -0.5492   8.8669   52.146   26.564   44.675   21.966 7.470531 34.46987 
1 1 1  -14   28   22 o   67.738   29.152   19.952   9.2492   0.0000   0.0000   19.952   9.2492  ?   ?    67.738   29.152 0.000000 29.15182 
1 1 1  -14   29    1 o   61.329   26.964   8.3547   8.2772   9.1624   9.6812   6.1600   15.959   62.177   28.114   59.824   29.425 2.352665 40.69687 
1 1 1  -14   29    2 f   74.648   27.773   13.560   7.1774   10.555   10.342   16.352   9.9687   63.718   28.911   73.426   30.875 -9.707878 42.29783 
1 1 1  -14   29    3 o   42.113   20.383  -3.9532   6.8224 -10.4636   9.5024   2.9730   9.8012   42.912   21.383   54.368   25.802 -11.45624 33.51078 
1 1 1  -14   29    4 o   59.655   25.670   7.5067   7.1696   5.7407   9.9619   9.4043   10.327   57.343   26.839   61.817   28.365 -4.473576 39.05019 
1 1 1  -14   29    5 o   59.305   25.640   7.4394   7.2221 -15.9844   10.440   28.938   10.002   41.504   20.920  101.219   33.113 -59.71503 39.16797 
1 1 1  -14   29    6 o   48.439   22.660   1.0939   7.0848  -0.5370   9.9935   2.7418   10.045   50.643   24.549   53.727   25.672 -3.084084 35.52088 
1 1 1  -14   29    7 o  122.006   29.541   34.325   9.2364   26.880   16.988   37.449   11.005   71.480   33.936  114.710   34.348 -43.22940 48.28527 
1 1 1  -14   29    8 o   81.764   28.068   16.629   7.1761   8.4640   17.156   18.361   7.9004   59.155   29.352   83.117   29.389 -23.96226 41.53671 
1 1 1  -14   29    9 o   63.134   26.712   10.065   7.5361   14.400   18.100   9.1561   8.2887   61.474   30.441   60.678   26.817 0.7960815 40.56812 
1 1 1  -14   29   10 o   88.323   29.026   20.103   7.6819   1.3940   17.243   24.737   8.5805   55.019   27.619   96.048   30.607 -41.02909 41.22573 
1 1 1  -14   29   11 o   54.659   24.447   5.9353   7.1009   15.120   17.108   4.0236   7.8051   60.910   30.056   51.995   24.143 8.914955 38.55180 
1 1 1  -14   29   12 o   87.561   29.110   20.460   7.7180   33.080   19.016   17.970   8.4449   68.654   33.414   76.645   29.739 -7.990746 44.73168 
1 1 1  -14   29   13 o   42.304   20.540  -2.7376   7.0713 -12.1100   17.808  -0.9830   7.7048   49.181   25.054   45.219   21.832 3.961803 33.23100 
1 1 1  -14   29   14 o   41.180   20.161  -3.9249   7.2254   3.9590   16.326  -5.8452   8.0575   53.529   26.871   41.219   20.393 12.30916 33.73330 
1 1 1  -14   29   15 o   56.921   25.270   8.4927   7.4406   10.390   18.031   8.1034   8.1685   55.353   27.849   55.790   25.460 -0.4371948 37.73237 
1 1 1  -14   29   16 o   41.762   20.880  -7.2735   9.3981  -2.3360   18.164  -9.0785   10.982   50.230   25.560   42.933   21.617 7.297070 33.47544 
1 1 1  -14   29   17 o   57.446   27.994   15.384   13.464   12.030   19.452   18.470   18.656   53.685   27.230   56.088   28.232 -2.403404 39.22362 
1 1 1  -14   29   18 o   53.620   26.512   11.444   13.546   9.9550   19.546   12.820   18.790   51.900   26.420   52.847   26.800 -0.9471169 37.63369 
1 1 1  -14   29   19 o   38.091   19.248 -10.6311   9.1578   7.3700   18.859 -16.1853   10.476   49.997   25.497   37.678   19.196 12.31901 31.91524 
1 1 1  -14   29   20 o   35.246   17.870 -12.5400   8.3218   0.0000   0.0000 -12.5400   8.3218  ?   ?    35.246   17.870 0.000000 17.87017 
1 1 1  -14   30    1 o   39.450   19.344  -5.3122   6.7307 -15.4745   9.2829   5.9524   9.7734   38.513   19.451   55.132   26.046 -16.61929 32.50709 
1 1 1  -14   30    2 o   33.909   17.006 -11.2543   6.4608  -3.5678   9.1804 -18.7970   9.0941   45.676   22.437   36.512   18.529 9.164555 29.09879 
1 1 1  -14   30    3 o   64.320   26.308   10.727   6.9629   14.880   10.383   7.3343   9.3860   65.638   29.446   56.447   26.298 9.191338 39.47947 
1 1 1  -14   30    4 o   44.086   21.055  -0.7801   6.7397   7.6056   9.5419  -9.1290   9.5209   56.573   26.410   42.232   21.100 14.34098 33.80378 
1 1 1  -14   30    5 o   88.084   28.646   20.237   7.4890   28.827   10.976   12.755   10.244   87.464   33.914   62.365   28.480 25.09871 44.28591 
1 1 1  -14   30    6 o   45.087   21.535  -0.1908   7.0541  -5.5207   10.325   4.4748   9.6601   45.390   22.564   52.692   25.177 -7.302189 33.80859 
1 1 1  -14   30    7 o   44.769   21.335  -0.0197   6.8426   4.2495   9.5672  -4.4904   9.7905   52.147   24.954   45.162   22.368 6.984783 33.51152 
1 1 1  -14   30    8 o   50.910   24.067   3.9183   8.3695   14.190   16.591   0.4121   9.6933   58.272   28.906   48.475   23.651 9.796066 37.34823 
1 1 1  -14   30    9 o   57.396   25.280   8.5222   7.3044   11.930   16.331   7.6701   8.1668   56.692   28.214   55.453   25.364 1.238369 37.93906 
1 1 1  -14   30   10 o   39.440   19.450  -5.2401   7.1268   39.450   17.264 -14.4199   7.8246   71.981   34.185   34.970   17.685 37.01070 38.48851 
1 1 1  -14   30   11 o   64.812   27.027   12.968   7.5429   27.110   18.793   10.253   8.2353   61.109   30.389   58.351   26.197 2.757313 40.12169 
1 1 1  -14   30   12 o   50.666   23.706   5.1839   7.7607  -3.0680   18.576   6.9288   8.5419   49.687   25.336   52.879   24.783 -3.191948 35.44117 
1 1 1  -14   30   13 o   67.710   27.382   14.811   7.4423  -0.9699   17.628   18.234   8.2098   49.392   25.138   72.222   28.917 -22.83031 38.31598 
1 1 1  -14   30   14 o   42.041   20.510  -1.3056   7.2842 -10.8500   16.390   1.0435   8.1314   45.459   23.232   45.251   21.984 0.2077942 31.98433 
1 1 1  -14   30   15 f   56.867   25.480   10.798   7.7494   3.5960   18.705   12.291   8.5145   49.286   25.157   57.846   26.241 -8.559841 36.35192 
1 1 1  -14   30   16 o   60.004   27.665   16.988   9.9862   13.020   19.483   18.402   11.630   50.741   25.880   58.285   27.787 -7.543945 37.97210 
1 1 1  -14   30   17 o   58.081   27.228   17.221   10.321   36.970   20.382   10.410   11.969   55.833   28.270   50.526   24.971 5.307022 37.71934 
1 1 1  -14   30   18 o   47.464   24.226   8.4840   17.329   0.0000   0.0000   8.4840   17.329  ?   ?    47.464   24.226 0.000000 24.22619 
1 1 1  -14   31    1 f   57.269   25.008   8.8558   7.0127   9.9619   10.107   7.8290   9.7383   56.191   26.528   54.074   25.679 2.117546 36.92060 
1 1 1  -14   31    2 o   49.682   23.078   4.4095   7.1444   2.7167   9.7934   6.3354   10.446   49.179   23.945   52.461   25.350 -3.281693 34.87103 
1 1 1  -14   31    3 o   37.672   18.660  -6.0946   6.8202 -12.8150   9.4073   1.3514   9.9021   38.644   19.524   48.019   23.529 -9.375290 30.57494 
1 1 1  -14   31    4 o   31.336   15.900 -15.1433   6.6769 -16.5110   9.5863 -13.8547   9.3051   37.192   18.890   37.877   19.170 -0.6853828 26.91310 
1 1 1  -14   31    5 o   44.739   21.394   1.0128   7.0038   12.376   9.9575 -10.1136   9.8532   58.193   27.103   40.479   20.393 17.71385 33.91818 
1 1 1  -14   31    6 o   45.082   21.583   1.2988   7.1743  -0.9929   10.270   3.4828   10.026   46.040   22.821   49.134   23.990 -3.094837 33.11098 
1 1 1  -14   31    7 o   44.721   21.384   1.3485   6.9962   7.5437   10.334  -3.8929   9.5056   52.254   25.241   43.177   21.494 9.076965 33.15298 
1 1 1  -14   31    8 o   63.204   27.766   15.308   8.7607   35.220   17.028   8.1395   10.217   64.232   31.340   52.397   25.257 11.83418 40.25069 
1 1 1  -14   31    9 o   36.950   18.396  -6.4233   6.9679   23.060   17.487 -11.9882   7.5971   56.588   28.321   34.772   17.566 21.81610 33.32637 
1 1 1  -14   31   10 o   72.847   28.668   19.097   7.9380   34.390   19.294   15.982   8.7092   58.815   29.481   63.052   27.692 -4.236740 40.44732 
1 1 1  -14   31   11 o   35.038   17.617  -9.1997   7.1595   10.450   18.115 -12.8371   7.7941   50.381   25.626   34.345   17.400 16.03572 30.97541 
1 1 1  -14   31   12 o   40.992   20.154  -1.3407   7.4622   13.990   16.787  -5.1160   8.3304   51.020   25.813   39.372   19.682 11.64803 32.46067 
1 1 1  -14   31   13 f   44.246   21.438   2.5539   7.5962  -7.9430   17.243   5.0815   8.4615   44.130   22.645   46.974   22.727 -2.843445 32.08267 
1 1 1  -14   31   14 o   39.111   19.683  -5.6213   9.0419  -6.6130   18.497  -5.3100   10.365   44.091   22.660   40.586   20.504 3.505482 30.55937 
1 1 1  -14   31   15 o   47.918   23.438   8.3114   9.6984   2.9270   19.608   10.055   11.159   45.274   23.267   48.480   23.988 -3.206459 33.41825 
1 1 1  -14   32    1 o   42.059   20.512  -0.1888   7.2711   13.778   10.191 -14.6700   10.377   55.812   26.436   37.776   19.232 18.03604 32.69149 
1 1 1  -14   32    2 f   46.397   22.080   3.9435   7.2744   4.6881   10.022   3.1144   10.576   47.710   23.437   46.736   23.165 0.9748192 32.95302 
1 1 1  -14   32    3 o   34.421   17.290  -8.6842   6.8138 -10.1576   9.5755  -7.1728   9.6980   38.435   19.452   40.040   20.180 -1.604988 28.02831 
1 1 1  -14   32    4 o   43.139   20.802   1.5171   6.9444   6.9042   9.9421  -3.6152   9.7041   49.065   23.941   41.814   20.952 7.250999 31.81477 
1 1 1  -14   32    5 f   46.213   22.115   4.1730   7.5144  -2.9732   10.738   11.030   10.519   42.823   21.538   51.916   25.171 -9.092941 33.12797 
1 1 1  -14   32    6 o   49.785   23.264   7.2890   7.4336   21.878   10.665  -6.4958   10.367   62.305   28.676   40.585   20.504 21.72005 35.25269 
1 1 1  -14   32    7 o   37.859   18.834  -4.1598   7.2459   3.5847   10.388 -11.4978   10.112   45.774   22.735   37.906   19.268 7.867867 29.80112 
1 1 1  -14   32    8 o   50.952   23.494   8.5472   7.2043   9.2911   10.471   7.8785   9.9277   49.252   24.146   48.396   23.681 0.8558884 33.82061 
1 1 1  -14   32    9 o   68.909   29.524   24.458   9.4108   25.790   18.110   23.966   11.015   51.654   26.208   61.202   28.505 -9.547966 38.72165 
1 1 1  -14   32   10 o   37.108   18.583  -4.8423   7.5812  -1.9290   17.300  -5.5347   8.4342   43.819   22.498   37.821   19.030 5.997967 29.46700 
1 1 1  -14   32   11 o   50.899   23.740   10.301   7.6825 -12.5000   17.406   15.818   8.5615   41.195   21.210   56.521   25.895 -15.32582 33.47273 
1 1 1  -14   32   12 o   46.246   22.852   8.4143   10.008   2.7570   18.744   10.671   11.837   43.655   22.453   46.796   23.403 -3.140526 32.43150 
1 1 1  -14   33    1 o   36.962   18.413  -3.1874   7.0267  -7.0637   10.177   0.3439   9.7137   38.345   19.474   41.566   20.847 -3.221035 28.52783 
1 1 1  -14   33    2 o   41.251   20.117   2.0108   6.9913  -4.6700   9.5410   9.7573   10.274   38.775   19.599   47.343   23.348 -8.567951 30.48416 
1 1 1  -14   33    3 o   63.639   27.093   18.834   7.8338   19.335   10.744   18.266   11.447   54.137   26.047   52.025   25.451 2.112541 36.41650 
1 1 1  -14   33    4 o   40.414   19.890   1.1749   7.3282   17.973   10.599 -14.2087   10.143   52.865   25.543   35.363   18.089 17.50133 31.29916 
1 1 1  -14   33    5 o   48.133   22.654   8.7134   7.2693   6.9830   10.593   10.254   9.9943   44.724   22.332   47.100   23.190 -2.375740 32.19456 
1 1 1  -14   33    6 o   36.345   18.297  -4.7970   7.8500   3.6385   11.182 -12.9948   11.023   42.642   21.513   36.304   18.592 6.337704 28.43360 
1 1 1  -13    0    1 o  242.850   12.342   77.124   7.7179   77.124   7.7179   77.124   7.7179  242.850   12.342  242.850   12.342 -0.000000 0.000000 
1 1 1  -13    0    2 o  518.705   12.487  349.783   16.755  349.783   16.755  349.783   16.755  518.705   12.487  518.705   12.487 0.000000 0.000000 
1 1 1  -13    0    3 o  461.716   12.326  277.246   14.718  277.246   14.718  277.246   14.718  461.716   12.326  461.716   12.326 -0.000000 0.000000 
1 1 1  -13    0    4 o  132.814   18.091   24.176   5.8972   24.176   5.8972   24.176   5.8972  132.814   18.091  132.814   18.091 0.000000 0.000000 
1 1 1  -13    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13    0    6 o  291.611   13.203  111.081   9.9262  111.081   9.9262  111.081   9.9262  291.611   13.203  291.611   13.203 0.000000 0.000000 
1 1 1  -13    0    7 o   63.935   30.762   7.8761   5.8969   7.8761   5.8969   7.8761   5.8969   63.935   30.762   63.935   30.762 -0.000000 0.000000 
1 1 1  -13    0    8 o  286.309   13.864  107.222   10.227  107.222   10.227  107.222   10.227  286.309   13.864  286.309   13.864 0.000000 0.000000 
1 1 1  -13    0    9 o  598.788   13.513  466.451   20.935  466.451   20.935  466.451   20.935  598.788   13.513  598.788   13.513 0.000000 0.000000 
1 1 1  -13    0   10 o   40.846   25.738   1.0271   5.7574   1.0271   5.7574   1.0271   5.7574   40.846   25.738   40.846   25.738 0.000000 0.000000 
1 1 1  -13    0   11 f  355.286   13.642  164.761   12.513  164.761   12.513  164.761   12.513  355.286   13.642  355.286   13.642 -0.000000 0.000000 
1 1 1  -13    0   12 o   64.183   33.327   7.9598   7.1843   7.9598   7.1843   7.9598   7.1843   64.183   33.327   64.183   33.327 0.000000 0.000000 
1 1 1  -13    0   13 o  240.174   16.233   76.145   9.9931   76.145   9.9931   76.145   9.9931  240.174   16.233  240.174   16.233 0.000000 0.000000 
1 1 1  -13    0   14 o  542.544   13.820  383.710   19.393  383.710   19.393  383.710   19.393  542.544   13.820  542.544   13.820 0.000000 0.000000 
1 1 1  -13    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13    0   16 o   38.753   25.835  -2.0600   7.0442  -2.0600   7.0442  -2.0600   7.0442   38.753   25.835   38.753   25.835 0.000000 0.000000 
1 1 1  -13    0   17 o  265.351   15.868   92.906   10.818   92.906   10.818   92.906   10.818  265.351   15.868  265.351   15.868 0.000000 0.000000 
1 1 1  -13    0   18 o  149.488   26.862   32.215   9.4026   32.215   9.4026   32.215   9.4026  149.488   26.862  149.488   26.862 -0.000000 0.000000 
1 1 1  -13    0   19 o   82.731   36.069   13.193   8.0259   13.193   8.0259   13.193   8.0259   82.731   36.069   82.731   36.069 -0.000000 0.000000 
1 1 1  -13    0   20 o  266.452   16.619   94.113   11.368   94.113   11.368   94.113   11.368  266.452   16.619  266.452   16.619 0.000000 0.000000 
1 1 1  -13    0   21 o  104.748   35.425   19.036   8.6016   19.036   8.6016   19.036   8.6016  104.748   35.425  104.748   35.425 0.000000 0.000000 
1 1 1  -13    0   22 o  129.947   31.831   26.299   9.2800   26.299   9.2800   26.299   9.2800  129.947   31.831  129.947   31.831 0.000000 0.000000 
1 1 1  -13    0   23 o  366.896   15.292  177.573   14.476  177.573   14.476  177.573   14.476  366.896   15.292  366.896   15.292 -0.000000 0.000000 
1 1 1  -13    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13    0   25 o   36.542   25.209  -5.3443   7.9792  -5.3443   7.9792  -5.3443   7.9792   36.542   25.209   36.542   25.209 -0.000000 0.000000 
1 1 1  -13    0   26 o   54.136   32.910   4.5253   8.6199   4.5253   8.6199   4.5253   8.6199   54.136   32.910   54.136   32.910 -0.000000 0.000000 
1 1 1  -13    0   27 o  170.398   24.254   41.602   10.078   41.602   10.078   41.602   10.078  170.398   24.254  170.398   24.254 0.000000 0.000000 
1 1 1  -13    0   28 o   29.225   20.994 -11.8532   7.6498 -11.8532   7.6498 -11.8532   7.6498   29.225   20.994   29.225   20.994 0.000000 0.000000 
1 1 1  -13    0   29 o   36.228   25.163  -5.9087   8.2972  -5.9087   8.2972  -5.9087   8.2972   36.228   25.163   36.228   25.163 -0.000000 0.000000 
1 1 1  -13    0   30 o  146.835   30.363   33.744   10.193   33.744   10.193   33.744   10.193  146.835   30.363  146.835   30.363 0.000000 0.000000 
1 1 1  -13    0   31 o   38.334   26.538  -5.4235   9.0378  -5.4235   9.0378  -5.4235   9.0378   38.334   26.538   38.334   26.538 0.000000 0.000000 
1 1 1  -13    0   32 o   46.123   30.579   0.0497   9.6417   0.0497   9.6417   0.0497   9.6417   46.123   30.579   46.123   30.579 0.000000 0.000000 
1 1 1  -13    0   33 o  103.154   47.115   26.070   13.698   26.070   13.698   26.070   13.698  103.154   47.115  103.154   47.115 -0.000000 0.000000 
1 1 1  -13    0   34 o   76.260   40.187   14.902   10.562   14.902   10.562   14.902   10.562   76.260   40.187   76.260   40.187 0.000000 0.000000 
1 1 1  -13    0   35 o  126.789   38.153   30.648   10.923   30.648   10.923   30.648   10.923  126.789   38.153  126.789   38.153 -0.000000 0.000000 
1 1 1  -13    0   36 o   37.017   25.961  -6.0366   9.4472  -6.0366   9.4472  -6.0366   9.4472   37.017   25.961   37.017   25.961 0.000000 0.000000 
1 1 1  -13    0   37 o  104.971   41.263   25.611   10.761   25.611   10.761   25.611   10.761  104.971   41.263  104.971   41.263 0.000000 0.000000 
1 1 1  -13    0   38 o   39.822   27.575  -2.7437   9.7747  -2.7437   9.7747  -2.7437   9.7747   39.822   27.575   39.822   27.575 0.000000 0.000000 
1 1 1  -13    0   39 o   81.259   40.723   19.549   10.499   19.549   10.499   19.549   10.499   81.259   40.723   81.259   40.723 0.000000 0.000000 
1 1 1  -13    0   40 o   48.539   32.086   5.2218   10.491   5.2218   10.491   5.2218   10.491   48.539   32.086   48.539   32.086 -0.000000 0.000000 
1 1 1  -13    0   41 o  123.430   41.757   36.917   11.948   36.917   11.948   36.917   11.948  123.430   41.757  123.430   41.757 0.000000 0.000000 
1 1 1  -13    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13    1    1 o  174.186   9.8568   39.509   4.4291   44.637   6.2328   34.277   6.2950  184.825   13.104  161.551   15.222 23.27385 20.08571 
1 1 1  -13    1    2 o  905.196   10.915  1064.13   25.592  1065.77   36.244  1062.50   36.142  904.648   15.467  903.263   15.447 1.385071 21.85941 
1 1 1  -13    1    3 o  362.775   8.6475  170.746   8.1260  172.005   11.538  169.508   11.446  363.791   12.244  361.142   12.236 2.649231 17.31017 
1 1 1  -13    1    4 o  158.327   15.274   32.944   6.1865   29.160   7.7846   39.430   10.192  147.868   20.907  171.827   23.517 -23.95894 31.46638 
1 1 1  -13    1    5 o  285.237   10.636  105.664   7.8583  102.233   9.7305  112.100   13.325  280.341   13.400  292.568   17.666 -12.22678 22.17306 
1 1 1  -13    1    6 o  322.971   9.1902  135.384   7.6885  137.245   11.049  133.637   10.706  324.826   13.131  320.552   12.893 4.273560 18.40299 
1 1 1  -13    1    7 o  767.908   10.263  765.824   20.414  780.918   29.226  751.444   28.527  774.362   14.570  759.629   14.498 14.73322 20.55436 
1 1 1  -13    1    8 f  187.233   11.503   45.737   5.5521   48.786   7.9138   42.781   7.7912  192.764   15.994  180.277   16.881 12.48666 23.25446 
1 1 1  -13    1    9 o  282.766   9.7179  103.836   7.1179  101.823   10.113  105.812   10.020  279.610   13.963  285.078   13.569 -5.467865 19.47015 
1 1 1  -13    1   10 o   74.189   22.263   7.3104   4.6197   9.2817   6.5630   5.3745   6.5039   84.338   26.756   71.615   26.479 12.72324 37.64324 
1 1 1  -13    1   11 o  173.098   13.037   39.238   5.8023   32.131   8.1286   46.621   8.2851  155.111   20.751  188.064   17.198 -32.95259 26.95167 
1 1 1  -13    1   12 o  346.682   9.6800  156.173   8.6927  152.967   12.276  159.397   12.311  342.522   13.836  349.688   13.591 -7.165924 19.39491 
1 1 1  -13    1   13 o   43.036   19.494  -2.5964   4.6794   0.5173   6.8070  -5.3862   6.4433   59.997   25.386   47.422   21.990 12.57457 33.58566 
1 1 1  -13    1   14 o  408.789   10.983  217.524   11.630  225.200   19.310  213.155   14.568  414.188   17.999  404.047   13.920 10.14020 22.75307 
1 1 1  -13    1   15 o  101.378   37.921   11.460   13.416   11.460   13.416   0.0000   0.0000  101.378   37.921  ?   ?  0.000000 37.92070 
1 1 1  -13    1   16 o  149.831   15.654   29.746   5.9858   28.257   8.3923   31.287   8.5399  144.052   23.286  152.010   22.356 -7.957840 32.28045 
1 1 1  -13    1   17 f   83.139   24.334   9.4385   5.5749   10.058   8.2691   8.9219   7.5483   88.527   30.134   83.968   28.789 4.559219 41.67569 
1 1 1  -13    1   18 f  131.893   18.640   23.437   6.1908   22.458   8.8837   24.360   8.6321  126.413   27.879  132.303   26.115 -5.890129 38.20026 
1 1 1  -13    1   19 o  380.381   10.199  188.721   10.049  191.690   14.429  185.925   14.005  381.962   14.583  376.253   14.370 5.709015 20.47336 
1 1 1  -13    1   20 o  165.650   15.223   36.434   6.4589   31.472   9.2263   41.204   9.0449  150.923   24.436  174.634   20.378 -23.71109 31.81802 
1 1 1  -13    1   21 o   80.178   25.316   8.7180   5.8809   5.4982   8.5047   11.668   8.1410   76.105   29.756   92.244   29.857 -16.13936 42.15293 
1 1 1  -13    1   22 o  178.900   21.520   43.644   9.7724   0.0000   0.0000   43.644   9.7724  ?   ?   178.900   21.520 0.000000 21.51999 
1 1 1  -13    1   23 o  278.699   12.003  101.965   8.6652   97.615   12.297  106.255   12.213  270.060   17.676  282.247   16.780 -12.18625 24.37206 
1 1 1  -13    1   24 o   70.047   30.369   0.3950   10.188   0.3950   10.188   0.0000   0.0000   70.047   30.369  ?   ?  0.000000 30.36861 
1 1 1  -13    1   25 o  125.014   20.667   21.703   6.4586   15.695   9.0615   27.906   9.2079  103.267   31.223  139.465   26.457 -36.19897 40.92481 
1 1 1  -13    1   26 o   62.437   24.871   3.3973   6.0423   13.544   8.8217  -5.5696   8.2930   96.286   31.071   53.886   24.973 42.40000 39.86294 
1 1 1  -13    1   27 o  158.030   17.103   34.026   6.8892   44.759   9.8946   23.926   9.5978  178.913   21.801  126.018   29.860 52.89545 36.97218 
1 1 1  -13    1   28 o  155.466   17.257   33.106   6.8321   46.653   9.8458   20.526   9.4883  182.480   21.226  115.294   31.069 67.18556 37.62804 
1 1 1  -13    1   29 o   63.141   25.136   3.8378   6.1676   9.2521   8.8648  -1.2420   8.5865   82.725   30.848   60.420   26.964 22.30498 40.97150 
1 1 1  -13    1   30 o   93.209   26.577   13.154   6.7299   9.4754   9.4584   16.927   9.5778   83.428   31.700  103.122   32.271 -19.69382 45.23616 
1 1 1  -13    1   31 o  120.157   22.977   21.177   6.8909   26.026   9.7095   16.257   9.7813  128.813   29.706  100.391   32.742 28.42277 44.20961 
1 1 1  -13    1   32 o   80.159   26.789   9.6093   6.5344   15.421   8.5606   1.4969   10.115   97.977   30.484   67.918   29.835 30.05892 42.65500 
1 1 1  -13    1   33 o   60.125   28.376  -7.1680   11.546  -7.1680   11.546   0.0000   0.0000   60.125   28.376  ?   ?  0.000000 28.37564 
1 1 1  -13    1   34 o   90.711   28.651   13.373   7.5316   10.463   10.629   16.307   10.674   83.430   33.065   96.723   34.165 -13.29221 47.54500 
1 1 1  -13    1   35 o   74.838   28.657   8.2686   7.7670   2.5196   10.883   14.237   11.089   68.682   30.522   90.155   34.308 -21.47285 45.91971 
1 1 1  -13    1   36 o   90.989   29.478   14.326   7.9342   18.084   10.729   9.7904   11.786   97.655   34.275   80.159   33.632 17.49548 48.02017 
1 1 1  -13    1   37 o   71.115   28.551   7.4170   8.0277  -0.8009   11.403   15.493   11.304   63.396   29.346   89.445   34.490 -26.04925 45.28523 
1 1 1  -13    1   38 o   60.275   26.633   2.3036   8.1704   2.0829   11.543   2.5252   11.566   66.141   30.215   66.734   30.392 -0.5927048 42.85582 
1 1 1  -13    1   39 o   52.970   24.720  -2.4725   8.3488   9.9160   11.690 -15.3688   11.927   76.152   32.773   50.574   24.982 25.57811 41.20887 
1 1 1  -13    1   40 f   60.400   26.590   3.3945   8.0712   19.380   11.067 -14.7651   11.796   92.867   34.500   49.976   24.716 42.89075 42.43998 
1 1 1  -13    1   41 o  118.190   29.440   26.761   8.9795   40.293   12.879   13.962   12.526  133.758   36.262   78.498   33.853 55.26087 49.60834 
1 1 1  -13    2    1 o  482.178   12.243  302.165   15.291   0.0000   0.0000  302.165   15.291  ?   ?   482.178   12.243 0.000000 12.24270 
1 1 1  -13    2    2 o  411.512   8.5768  219.701   9.1424  228.113   13.059  211.616   12.803  418.967   12.033  403.509   12.249 15.45798 17.17113 
1 1 1  -13    2    3 o  339.727   11.675  149.962   10.274  128.100   13.458  180.500   15.906  313.033   16.658  372.119   16.502 -59.08606 23.44789 
1 1 1  -13    2    4 o  161.056   12.885   33.943   5.3303   28.896   6.3099   46.520   9.9603  147.939   16.762  187.418   20.871 -39.47955 26.76880 
1 1 1  -13    2    5 o  355.629   9.0009  164.128   8.2915  164.927   11.702  163.323   11.750  356.142   12.685  354.393   12.800 1.748993 18.02065 
1 1 1  -13    2    6 o  269.495   11.655   94.389   8.1360   99.230   15.888   92.669   9.4721  274.129   22.576  266.495   13.769 7.634521 26.44311 
1 1 1  -13    2    7 o  444.720   9.1416  256.718   10.531  267.031   15.171  247.127   14.630  453.065   12.927  435.849   12.958 17.21628 18.30361 
1 1 1  -13    2    8 o  201.695   11.202   53.032   5.8297   59.168   8.2581   46.937   8.2308  212.545   15.098  188.867   17.007 23.67706 22.74141 
1 1 1  -13    2    9 o  272.327   10.058   96.334   7.0951   98.021   10.070   94.671   9.9985  273.933   14.241  269.175   14.392 4.757751 20.24664 
1 1 1  -13    2   10 f  172.583   12.785   38.980   5.6747   36.856   8.0677   41.059   7.9834  166.719   19.022  176.338   17.718 -9.619278 25.99537 
1 1 1  -13    2   11 o   62.378   22.899   4.1264   4.8502  -4.1254   6.4925   14.547   7.2960   49.731   22.696  102.886   27.027 -53.15504 35.29250 
1 1 1  -13    2   12 o  321.353   10.104  134.234   8.4102  135.658   11.855  132.790   11.933  322.485   14.192  319.017   14.441 3.467316 20.24712 
1 1 1  -13    2   13 o  106.130   20.559   15.312   5.4478   13.809   7.4425   17.046   7.9960  100.218   27.731  110.942   27.863 -10.72409 39.31089 
1 1 1  -13    2   14 o  141.270   22.347   26.999   7.9053   32.390   9.9661   17.850   12.982  154.033   25.897  115.251   37.727 38.78193 45.76040 
1 1 1  -13    2   15 o  247.281   16.740   80.590   10.659   90.500   17.224   74.440   13.569  259.077   26.018  235.965   22.472 23.11133 34.37890 
1 1 1  -13    2   16 o  196.308   12.969   50.559   6.5576   51.052   9.6403   50.134   8.9462  195.781   19.259  194.341   17.975 1.439896 26.34383 
1 1 1  -13    2   17 o  303.461   10.735  120.055   8.4381  109.795   11.927  130.336   11.939  288.625   16.016  315.307   14.618 -26.68253 21.68437 
1 1 1  -13    2   18 o  310.659   10.760  125.903   8.6584  124.806   12.392  126.949   12.103  307.704   15.598  310.881   15.030 -3.176697 21.66081 
1 1 1  -13    2   19 o   87.146   24.683   10.534   5.8249   13.452   8.3104   7.7156   8.1669   98.283   29.943   81.306   29.735 16.97720 42.19856 
1 1 1  -13    2   20 o  173.488   14.912   39.905   6.6361   49.426   9.4786   30.752   9.2940  191.799   19.343  148.915   24.979 42.88416 31.59244 
1 1 1  -13    2   21 o  161.163   16.055   34.655   6.6129   40.333   9.4251   29.149   9.2809  172.064   21.624  144.357   25.765 27.70671 33.63699 
1 1 1  -13    2   22 o   49.961   22.024  -1.2050   5.5553  -5.0347   8.0161   2.3340   7.7057   54.245   24.928   66.246   27.445 -12.00038 37.07615 
1 1 1  -13    2   23 o   43.850   20.475  -5.0447   5.7414  -1.1847   8.1822  -8.7889   8.0584   60.849   26.780   49.420   23.437 11.42899 35.58706 
1 1 1  -13    2   24 o  146.401   32.034   31.670   11.811   31.670   11.811   0.0000   0.0000  146.401   32.034  ?   ?  0.000000 32.03443 
1 1 1  -13    2   25 o  127.715   20.929   22.679   6.6839   13.381   9.6994   31.087   9.2234   96.824   32.638  148.088   24.930 -51.26394 41.06986 
1 1 1  -13    2   26 o  130.585   19.492   23.591   6.3914   24.858   9.1596   22.389   8.9227  130.089   28.011  123.060   28.545 7.028481 39.99251 
1 1 1  -13    2   27 o   55.006   23.635   0.4689   6.0617   2.0912   8.4904  -1.2176   8.6569   66.750   28.304   61.359   27.248 5.390697 39.28773 
1 1 1  -13    2   28 o  174.125   15.797   41.115   7.0474   28.845   9.8747   53.852   10.061  138.756   28.430  196.932   20.001 -58.17599 34.76033 
1 1 1  -13    2   29 o   82.937   26.283   10.085   6.3344   15.858   9.2063   4.8953   8.7292  100.890   31.649   72.245   29.492 28.64536 43.26062 
1 1 1  -13    2   30 o  107.576   24.844   17.270   6.7830   18.215   9.5235   16.296   9.6634  106.805   31.946  101.210   32.505 5.594231 45.57514 
1 1 1  -13    2   31 o   48.788   22.271  -2.7181   6.2570  -5.3695   9.0500  -0.2901   8.6603   55.458   25.832   61.478   27.279 -6.020298 37.56908 
1 1 1  -13    2   32 o   80.809   27.345   9.7932   6.8091   12.565   9.0372   6.1536   10.356   89.549   31.455   76.413   31.750 13.13623 44.69351 
1 1 1  -13    2   33 f   98.138   36.559   16.600   12.445   16.600   12.445   0.0000   0.0000   98.138   36.559  ?   ?  0.000000 36.55942 
1 1 1  -13    2   34 o   73.982   28.027   7.7879   7.3797   7.4924   11.008   8.0291   9.9455   77.977   32.595   77.644   31.563 0.3325958 45.37271 
1 1 1  -13    2   35 f   45.340   21.805  -8.1428   7.5124 -13.0364   10.678  -3.3469   10.571   51.171   24.935   60.234   28.011 -9.063023 37.50125 
1 1 1  -13    2   36 f  122.218   26.479   24.319   8.1403   18.396   11.799   29.698   11.245   96.975   35.699  127.045   33.640 -30.07049 49.05153 
1 1 1  -13    2   37 o  209.394   17.068   63.045   9.1769   77.660   13.095   48.943   12.864  224.037   22.887  167.260   30.827 56.77719 38.39439 
1 1 1  -13    2   38 o  143.893   23.426   32.903   8.4309   23.661   11.400   44.060   12.525  106.341   35.380  154.697   32.300 -48.35558 47.90698 
1 1 1  -13    2   39 f   85.308   28.782   13.412   7.5433   7.2526   10.728   19.435   10.608   71.201   31.015   95.885   34.040 -24.68452 46.05056 
1 1 1  -13    2   40 o   55.495   24.936   1.2771   7.4794   1.2705   10.547   1.2838   10.608   61.403   28.353   61.518   28.416 -0.1155243 40.14181 
1 1 1  -13    2   41 o   59.262   27.179   1.9317   9.4636   5.4130   15.537  -0.1216   11.932   69.157   32.723   60.608   28.678 8.549427 43.51119 
1 1 1  -13    3    1 o  542.684   8.8792  382.146   12.482  363.204   17.346  402.484   17.974  528.550   12.670  556.430   12.470 -27.88068 17.77740 
1 1 1  -13    3    2 f  297.162   11.511  114.732   8.8608  124.400   12.217  104.000   12.871  309.058   15.260  281.767   17.725 27.29123 23.38933 
1 1 1  -13    3    3 o  207.885   9.9172   56.105   5.3403   53.456   7.2922   59.170   7.8424  202.200   14.009  212.738   14.315 -10.53821 20.02916 
1 1 1  -13    3    4 o  724.532   9.9549  681.554   18.683  710.700   27.193  655.495   25.713  738.925   14.207  709.701   13.987 29.22455 19.93679 
1 1 1  -13    3    5 o  218.589   10.195   62.047   5.7726   73.101   8.1956   51.162   8.1323  236.660   13.424  197.472   16.037 39.18802 20.91421 
1 1 1  -13    3    6 o  191.091   17.742   48.083   8.6818   72.540   14.536   34.520   10.825  233.642   24.377  159.630   27.151 74.01247 36.48877 
1 1 1  -13    3    7 o  247.646   10.027   79.647   6.4321   72.616   9.0687   86.764   9.1242  235.608   14.937  257.808   13.712 -22.20079 20.27658 
1 1 1  -13    3    8 o  325.905   9.5340  137.919   8.0485  135.137   11.386  140.697   11.379  322.165   13.644  328.762   13.362 -6.596954 19.09696 
1 1 1  -13    3    9 o  285.706   9.7948  106.025   7.2488  105.191   10.056  106.926   10.458  284.196   13.661  286.479   14.093 -2.283356 19.62727 
1 1 1  -13    3   10 o  463.624   9.3859  279.169   11.272  280.769   15.968  277.580   15.913  464.302   13.277  461.652   13.307 2.650269 18.79823 
1 1 1  -13    3   11 f  180.010   12.788   42.410   5.9240   36.174   8.2106   49.181   8.5556  164.936   19.602  193.139   17.284 -28.20378 26.13373 
1 1 1  -13    3   12 o   63.367   23.054   4.3782   4.9000  -0.3845   6.7132   9.8091   7.1686   57.688   24.831   86.784   28.009 -29.09569 37.43140 
1 1 1  -13    3   13 o  162.951   15.478   35.023   6.4546   31.100   9.6206   38.234   8.7044  151.096   25.488  169.288   20.252 -18.19226 32.55425 
1 1 1  -13    3   14 o  335.327   12.019  146.556   10.439  141.410   13.000  155.900   17.518  328.752   15.266  343.470   19.774 -14.71756 24.98062 
1 1 1  -13    3   15 o   78.602   30.427   5.7346   8.8239   14.650   14.186   0.1090   11.269  109.028   39.293   74.910   32.207 34.11816 50.80604 
1 1 1  -13    3   16 o  259.944   15.831   88.996   10.609   0.0000   0.0000   88.996   10.609  ?   ?   259.944   15.831 0.000000 15.83092 
1 1 1  -13    3   17 o  108.697   21.410   16.222   5.8138   23.887   8.0769   7.9817   8.3751  131.559   24.606   82.831   30.139 48.72789 38.90773 
1 1 1  -13    3   18 o  378.667   10.149  186.941   9.9548  202.684   14.582  173.200   13.623  393.008   14.324  363.249   14.479 29.75864 20.36689 
1 1 1  -13    3   19 o  196.428   13.543   50.847   6.8488   58.014   9.9767   44.459   9.4186  208.326   18.687  181.609   20.373 26.71695 27.64505 
1 1 1  -13    3   20 o  225.619   12.633   66.930   7.3532   76.457   10.661   58.285   10.155  239.675   17.288  208.496   19.013 31.17943 25.69775 
1 1 1  -13    3   21 o   97.925   24.426   13.515   6.1752   7.7030   8.4726   20.100   9.0190   81.446   30.200  118.207   29.539 -36.76057 42.24441 
1 1 1  -13    3   22 o  221.190   13.296   64.582   7.5826   84.615   10.862   45.542   10.590  251.966   16.738  182.066   22.966 69.89978 28.41807 
1 1 1  -13    3   23 o   63.104   25.513   2.8925   6.4589   17.280   9.8129  -8.1052   8.5794  108.731   32.406   52.320   24.621 56.41113 40.69840 
1 1 1  -13    3   24 o   95.751   31.291   13.026   8.9318   13.026   8.9318   0.0000   0.0000   95.751   31.291  ?   ?  0.000000 31.29069 
1 1 1  -13    3   25 o   63.791   26.549   2.2330   7.2582 -19.1600   15.000   8.7736   8.2938   62.904   30.392   82.659   30.005 -19.75534 42.70787 
1 1 1  -13    3   26 o   79.151   25.690   8.7462   6.0243   5.3613   8.6784   11.894   8.3694   74.502   29.765   91.055   30.316 -16.55313 42.48543 
1 1 1  -13    3   27 o  181.174   15.276   44.241   7.1020   41.303   10.238   46.965   9.8602  170.401   23.848  183.560   21.123 -13.15936 31.85742 
1 1 1  -13    3   28 o  257.289   17.604   90.380   11.662   0.0000   0.0000   90.380   11.662  ?   ?   257.289   17.604 0.000000 17.60387 
1 1 1  -13    3   29 o  167.038   16.644   38.219   7.1056   37.272   10.168   39.123   9.9339  159.428   25.479  164.422   24.034 -4.993240 35.02607 
1 1 1  -13    3   30 o  212.075   14.574   60.866   7.9575   63.416   11.080   58.150   11.436  212.237   20.406  201.668   22.263 10.56900 30.19964 
1 1 1  -13    3   31 o  201.384   14.910   55.187   7.7224   45.088   10.989   65.039   10.854  174.583   25.016  214.961   19.713 -40.37802 31.84955 
1 1 1  -13    3   32 o  142.672   21.243   29.448   7.6113   34.654   10.934   24.553   10.601  148.271   29.508  121.345   32.901 26.92632 44.19458 
1 1 1  -13    3   33 o   75.601   31.241   6.5820   9.9476   6.5820   9.9476   0.0000   0.0000   75.601   31.241  ?   ?  0.000000 31.24075 
1 1 1  -13    3   34 o   58.651   25.262   1.7706   6.9569   4.7498   10.504  -0.5573   9.2852   72.272   31.085   61.201   27.615 11.07134 41.57963 
1 1 1  -13    3   35 o   56.141   24.988   0.1806   7.3223   0.3044   10.389   0.0584   10.322   64.295   29.093   63.803   28.923 0.4911575 41.02347 
1 1 1  -13    3   36 o   47.993   22.627  -4.8629   7.3083  -2.2675   10.330  -7.4635   10.341   60.002   27.830   54.420   26.016 5.581188 38.09620 
1 1 1  -13    3   37 o   64.139   27.329   4.3011   7.9841  -8.3514   11.036   18.197   11.565   54.738   26.351   94.643   35.247 -39.90577 44.00808 
1 1 1  -13    3   38 o   65.483   27.323   5.5342   7.7153   17.995   11.673  -4.1322   10.281   92.318   35.183   56.330   26.643 35.98795 44.13298 
1 1 1  -13    3   39 o   85.328   30.490   14.006   8.5244   18.632   11.646   8.6678   12.511   91.890   35.113   74.359   32.901 17.53123 48.11879 
1 1 1  -13    3   40 o  215.945   17.762   69.628   9.8475   72.361   13.659   66.670   14.210  205.113   26.316  190.846   29.712 14.26736 39.69028 
1 1 1  -13    3   41 o   67.346   29.338   7.3452   9.6000   6.0100   15.313   8.2098   12.322   69.246   32.679   70.008   31.680 -0.7619019 45.51480 
1 1 1  -13    4    1 o  676.809   13.677  596.012   23.978  601.600   35.249  591.200   32.712  678.178   20.066  672.704   18.773 5.473999 27.47835 
1 1 1  -13    4    2 o  481.912   8.8254  301.367   11.017  306.786   15.740  296.163   15.425  485.751   12.509  477.272   12.477 8.479126 17.66796 
1 1 1  -13    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13    4    4 o  273.870   9.3715   97.361   6.6482   98.451   9.4215   96.280   9.3825  275.092   13.222  272.034   13.315 3.057709 18.76463 
1 1 1  -13    4    5 o  255.606   9.7141   84.828   6.4317   89.521   9.1795   80.303   9.0143  261.925   13.576  247.960   14.093 13.96501 19.56845 
1 1 1  -13    4    6 o  327.433   14.452  139.645   12.257  136.700   18.611  141.900   16.289  321.929   22.459  328.812   19.208 -6.883026 29.55277 
1 1 1  -13    4    7 o  118.505   15.156   18.599   4.5457   17.756   6.2035   19.577   6.6801  114.499   21.711  120.261   22.264 -5.761169 31.09737 
1 1 1  -13    4    8 o  199.194   11.225   51.743   5.7681   51.427   8.2016   52.053   8.1137  197.862   16.143  199.118   15.863 -1.255569 22.63234 
1 1 1  -13    4    9 o  155.012   13.372   31.522   5.3167   30.633   7.3545   32.496   7.6949  151.772   19.132  156.329   19.421 -4.556976 27.26221 
1 1 1  -13    4   10 o  218.860   11.285   62.462   6.3757   60.713   8.7838   64.410   9.2689  215.045   15.881  221.456   16.272 -6.411530 22.73762 
1 1 1  -13    4   11 o  176.780   13.018   40.935   5.9193   45.014   8.2928   36.698   8.4519  184.617   17.552  165.996   20.064 18.62134 26.65776 
1 1 1  -13    4   12 o  224.511   11.695   65.799   6.7777   62.294   9.5562   69.347   9.6144  217.449   17.104  229.677   16.266 -12.22797 23.60324 
1 1 1  -13    4   13 o  243.577   14.278   77.754   8.9693   73.360   11.754   83.880   13.878  235.376   19.453  251.197   21.537 -15.82079 29.02141 
1 1 1  -13    4   14 o  108.879   20.556   16.138   5.5850   10.959   7.6020   22.212   8.2324   90.737   28.797  126.870   25.926 -36.13344 38.74860 
1 1 1  -13    4   15 f  111.236   30.596   17.320   9.0915   25.460   15.733   13.240   11.140  133.717   41.282  101.468   34.963 32.24932 54.09796 
1 1 1  -13    4   16 o  245.643   11.972   78.770   7.6174   76.106   10.818   81.391   10.728  239.767   17.539  248.215   16.785 -8.448288 24.27670 
1 1 1  -13    4   17 o  220.138   12.282   63.530   6.9757   62.137   9.7274   65.006   10.009  216.362   17.507  221.300   17.606 -4.938034 24.82838 
1 1 1  -13    4   18 o  192.924   13.527   49.021   6.7170   43.691   9.2749   54.901   9.7407  180.201   20.219  202.725   18.762 -22.52385 27.58311 
1 1 1  -13    4   19 o  215.834   13.147   61.306   7.3153   59.992   10.204   62.695   10.493  211.762   18.798  216.475   18.903 -4.713257 26.65830 
1 1 1  -13    4   20 o   98.904   24.126   13.744   6.1259   11.233   8.5245   16.425   8.8091   91.423   30.598  107.189   30.352 -15.76595 43.09864 
1 1 1  -13    4   21 o   60.499   24.191   2.7847   5.7376   0.3613   7.6630   5.8768   8.6558   62.051   26.615   77.245   30.070 -15.19366 40.15700 
1 1 1  -13    4   22 o   74.728   25.661   7.1954   5.9980   11.712   8.2770   2.2010   8.7041   92.044   30.124   69.097   28.942 22.94732 41.77435 
1 1 1  -13    4   23 o   90.614   29.287   11.471   7.8352   15.500   9.8414   4.4950   12.949  103.535   32.756   84.238   35.293 19.29713 48.15115 
1 1 1  -13    4   24 o   91.349   27.941   11.915   7.2266   12.852   8.8266   10.010   12.586   95.053   31.108   92.906   36.234 2.146721 47.75593 
1 1 1  -13    4   25 o  143.316   23.186   28.904   8.3133   33.490   16.399   27.318   9.6444  143.517   41.658  136.804   28.155 6.713486 50.28019 
1 1 1  -13    4   26 o  150.190   18.335   30.926   6.9850   38.671   10.022   23.610   9.7404  165.085   24.151  125.233   30.345 39.85170 38.78281 
1 1 1  -13    4   27 o  122.687   21.278   21.291   6.5169   15.054   9.3178   27.263   9.1181   99.683   31.908  136.152   26.809 -36.46819 41.67524 
1 1 1  -13    4   28 o  133.129   20.239   24.939   6.7594   27.538   9.6723   22.457   9.4501  135.130   28.529  120.685   30.280 14.44503 41.60230 
1 1 1  -13    4   29 o   73.578   25.954   7.4076   6.1579   14.141   8.8707   1.1448   8.5551   95.696   31.179   64.195   27.830 31.50066 41.79324 
1 1 1  -13    4   30 o   84.002   26.288   10.555   6.3557   12.287   9.0316   8.8545   8.9457   89.885   31.453   80.976   30.815 8.909065 44.03194 
1 1 1  -13    4   31 o   50.594   23.031  -2.5046   6.6322   5.2079   9.4970  -9.8464   9.2660   73.356   30.436   51.058   24.466 22.29769 39.05065 
1 1 1  -13    4   32 o  262.690   15.085   94.280   10.222  102.100   17.033   89.879   12.778  261.333   25.486  251.875   19.744 9.458160 32.23889 
1 1 1  -13    4   33 o   53.236   25.333  -8.0099   9.5723  -8.0099   9.5723   0.0000   0.0000   53.236   25.333  ?   ?  0.000000 25.33289 
1 1 1  -13    4   34 o   82.334   28.453   10.808   7.3799   23.011   10.156  -2.8433   10.742  114.785   32.621   61.778   28.557 53.00610 43.35446 
1 1 1  -13    4   35 o   51.157   23.246  -1.5098   6.7188  -5.1165   9.1056   2.8009   9.9547   53.902   25.365   66.843   29.473 -12.94112 38.88504 
1 1 1  -13    4   36 o   98.175   29.048   16.768   7.9056   14.344   10.714   19.666   11.713   88.135   33.679   99.249   35.711 -11.11341 49.08723 
1 1 1  -13    4   37 o   95.496   29.642   16.456   8.0995   7.4671   11.137   26.549   11.801   73.807   31.875  113.779   35.855 -39.97192 47.97517 
1 1 1  -13    4   38 o   77.281   29.462   10.509   8.1871   15.104   11.265   5.3648   11.919   86.322   34.094   70.364   31.558 15.95767 46.45783 
1 1 1  -13    4   39 o   95.753   29.134   17.144   7.8713   23.535   11.261   11.037   11.007  103.619   35.165   77.173   32.447 26.44552 47.84772 
1 1 1  -13    4   40 o   61.069   26.862   3.8833   8.2227   0.1347   11.482   7.8301   11.781   61.159   28.685   70.804   31.592 -9.644962 42.67193 
1 1 1  -13    4   41 o   55.982   26.912  -3.7503   11.413   6.2360   14.831 -18.2500   17.872   68.744   32.357   56.850   28.478 11.89390 43.10421 
1 1 1  -13    5    1 o  212.040   9.8769   58.379   5.4249   64.010   14.048   57.391   5.8811  219.147   25.206  209.907   10.853 9.239914 27.44300 
1 1 1  -13    5    2 o  588.539   9.3531  449.635   14.259  506.800   31.913  435.377   15.938  622.371   19.796  578.940   10.628 43.43134 22.46825 
1 1 1  -13    5    3 o  124.911   17.258   20.743   5.4348   20.743   5.4348   0.0000   0.0000  124.911   17.258  ?   ?  0.000000 17.25778 
1 1 1  -13    5    4 o  217.545   9.9296   61.457   5.5954   63.200   7.9227   59.723   7.9035  219.885   13.983  213.669   14.363 6.215103 20.04552 
1 1 1  -13    5    5 o  324.413   9.2514  136.629   7.7742  146.403   11.321  127.906   10.695  335.427   13.029  313.507   13.170 21.92041 18.52572 
1 1 1  -13    5    6 o  457.892   13.683  273.000   16.229  289.400   24.512  260.200   21.654  469.990   20.134  445.990   18.744 24.00052 27.50877 
1 1 1  -13    5    7 o  624.021   9.6611  505.734   15.616  504.276   22.242  507.151   21.930  622.227   13.800  624.057   13.567 -1.830200 19.35190 
1 1 1  -13    5    8 o  270.746   10.126   95.241   7.1016   99.416   10.051   91.079   10.035  275.850   14.114  263.893   14.740 11.95728 20.40741 
1 1 1  -13    5    9 o  364.820   9.6110  172.898   9.0823  177.910   12.903  167.975   12.787  369.531   13.479  359.022   13.750 10.50955 19.25486 
1 1 1  -13    5   10 f  421.285   9.4393  230.579   10.301  228.903   14.650  232.218   14.487  419.075   13.495  422.147   13.248 -3.072235 18.91129 
1 1 1  -13    5   11 o  250.600   10.908   81.697   7.0806   83.649   10.114   79.821   9.9155  252.539   15.537  246.658   15.600 5.880646 22.01705 
1 1 1  -13    5   12 o  222.762   12.813   64.906   7.3623   56.870   11.241   70.942   9.7426  206.623   21.309  232.244   16.298 -25.62086 26.82735 
1 1 1  -13    5   13 o  305.557   12.074  121.698   9.5563  119.380   11.808  126.100   16.270  302.091   15.090  308.554   20.473 -6.463013 25.43282 
1 1 1  -13    5   14 o  162.074   14.237   34.610   5.9163   43.139   8.2268   25.475   8.5143  180.282   17.851  136.225   25.052 44.05678 30.76196 
1 1 1  -13    5   15 o  171.752   24.973   40.193   10.785   22.510   18.213   49.740   13.383  128.700   44.686  190.312   27.984 -61.61174 52.72487 
1 1 1  -13    5   16 o   86.548   23.544   10.343   5.4182   6.3432   7.1659   15.682   8.2792   75.513   27.817  105.750   29.243 -30.23730 40.36008 
1 1 1  -13    5   17 o  189.939   13.822   47.532   6.7538   46.861   9.8451   48.128   9.2822  186.642   20.713  189.679   19.155 -3.036804 28.21234 
1 1 1  -13    5   18 o  242.333   11.919   76.807   7.4818   83.996   10.604   69.680   10.558  251.844   16.343  228.749   17.963 23.09552 24.28525 
1 1 1  -13    5   19 o  185.669   14.278   45.584   6.8143   54.029   9.6383   37.145   9.6353  200.813   18.746  164.635   23.240 36.17828 29.85850 
1 1 1  -13    5   20 o  234.651   12.483   72.405   7.5600   73.966   10.688   70.841   10.695  235.422   17.655  230.205   18.081 5.217361 25.27104 
1 1 1  -13    5   21 o  532.385   10.227  370.432   14.103  354.721   19.815  386.559   20.076  518.449   14.755  541.513   14.313 -23.06396 20.55660 
1 1 1  -13    5   22 o  130.364   19.674   23.263   6.4369   25.919   8.9130   20.368   9.3061  135.119   26.413  118.201   30.264 16.91808 40.16901 
1 1 1  -13    5   23 o   49.248   22.926  -5.6731   7.1113  -1.7290   8.8479 -12.8700   11.952   62.159   27.577   59.320   28.250 2.839138 39.47854 
1 1 1  -13    5   24 o   85.358   28.187   10.110   7.2410  -0.2021   8.8261   31.340   12.664   64.388   28.087  143.681   34.469 -79.29310 44.46387 
1 1 1  -13    5   25 o  153.040   17.538   31.866   6.8269   36.056   9.9317   28.113   9.3997  159.301   24.882  139.205   27.043 20.09586 36.74834 
1 1 1  -13    5   26 o  133.855   20.003   24.944   6.7230   9.7496   9.2742   41.771   9.7598   85.790   31.639  172.509   22.368 -86.71988 38.74730 
1 1 1  -13    5   27 o  131.141   19.879   24.062   6.5411   32.893   9.4122   15.813   9.0968  150.800   24.969  101.691   31.389 49.10910 40.10936 
1 1 1  -13    5   28 o  159.921   17.225   35.132   7.0229   43.256   10.110   27.556   9.7627  173.989   22.997  134.740   28.843 39.24892 36.88813 
1 1 1  -13    5   29 o   57.876   24.181   2.0154   6.0546   9.2670   8.7733  -4.5789   8.3662   82.147   30.678   54.449   25.181 27.69745 39.68862 
1 1 1  -13    5   30 o  121.075   22.675   21.419   6.8502   12.679   9.6357   30.350   9.7403   90.938   32.425  141.105   27.638 -50.16704 42.60504 
1 1 1  -13    5   31 o   97.876   27.304   14.907   7.1844   14.383   10.195   15.424   10.126   94.617   33.393   97.293   33.345 -2.675789 47.19088 
1 1 1  -13    5   32 o   53.230   24.364  -2.7956   7.5542  -8.9810   12.029   1.2326   9.7073   59.771   28.430   66.004   29.103 -6.232433 40.68480 
1 1 1  -13    5   33 o   85.827   30.393   11.775   8.4523   7.4319   10.468   19.910   14.328   77.518   32.041  103.121   39.056 -25.60352 50.51730 
1 1 1  -13    5   34 o  114.524   25.397   20.632   7.3365   30.220   11.535   14.119   9.5070  130.474   33.844   90.729   32.222 39.74503 46.73009 
1 1 1  -13    5   35 f   53.305   24.343  -1.6862   7.4851 -10.4651   10.631   6.9430   10.540   52.799   25.528   74.388   31.539 -21.58916 40.57528 
1 1 1  -13    5   36 o   62.333   25.905   4.2645   6.8956  -3.4320   10.138   10.890   9.4065   57.802   27.061   80.160   31.307 -22.35752 41.38185 
1 1 1  -13    5   37 o  128.755   25.621   27.255   8.2445   38.033   11.386   15.377   11.953  145.450   31.159   87.580   34.952 57.86967 46.82482 
1 1 1  -13    5   38 o   40.351   19.783 -10.1838   7.0296 -23.0764   9.5076   5.3627   10.440   39.796   20.047   68.343   30.156 -28.54663 36.21161 
1 1 1  -13    5   39 f   64.407   27.712   5.1955   8.3544   12.543   11.431  -3.2281   12.240   79.354   33.197   59.942   28.557 19.41247 43.79020 
1 1 1  -13    5   40 o   46.210   22.403  -7.5767   8.3296 -15.6793   11.895   0.2195   11.668   49.107   24.379   61.186   28.768 -12.07914 37.70863 
1 1 1  -13    5   41 o   56.891   27.240  -2.4078   11.435  -9.7070   15.101   7.4050   17.509   57.048   28.167   70.269   33.661 -13.22094 43.89124 
1 1 1  -13    6    1 o  199.129   10.040   51.628   5.1619   63.110   14.206   49.881   5.5405  217.344   25.734  195.621   10.979 21.72301 27.97777 
1 1 1  -13    6    2 o  601.972   9.4590  470.486   14.749  490.200   31.965  465.154   16.625  611.780   20.171  598.340   10.727 13.44031 22.84608 
1 1 1  -13    6    3 o  444.067   9.2132  256.006   10.598  250.400   23.247  257.477   11.907  437.125   20.531  445.206   10.325 -8.080933 22.98134 
1 1 1  -13    6    4 o  512.376   12.886  341.630   17.102   0.0000   0.0000  341.630   17.102  ?   ?   512.376   12.886 0.000000 12.88555 
1 1 1  -13    6    5 o  177.941   11.474   41.336   5.2606   47.227   7.5166   35.680   7.3651  189.680   15.432  164.324   17.576 25.35559 23.38928 
1 1 1  -13    6    6 o  416.971   11.025  226.013   11.908  239.400   23.615  221.448   13.789  426.450   21.446  412.458   12.907 13.99200 25.03057 
1 1 1  -13    6    7 o  342.767   9.5439  152.603   8.4737  145.471   12.090  159.489   11.880  334.115   13.970  349.971   13.105 -15.85583 19.15433 
1 1 1  -13    6    8 o  224.895   11.097   65.772   6.4642   62.318   9.0177   69.424   9.2711  217.843   16.095  230.074   15.650 -12.23042 22.44902 
1 1 1  -13    6    9 o  557.014   9.6083  403.135   13.863  408.870   19.911  397.739   19.314  560.026   13.726  552.411   13.497 7.615417 19.25043 
1 1 1  -13    6   10 o  305.538   10.220  121.376   8.0884  122.066   11.603  120.724   11.281  305.782   14.650  304.150   14.318 1.631927 20.48489 
1 1 1  -13    6   11 f  475.629   10.651  294.321   13.122  298.100   21.786  292.170   16.438  476.800   17.640  473.263   13.409 3.537048 22.15800 
1 1 1  -13    6   12 o  436.069   11.304  247.643   12.768  226.648   15.716  288.400   21.897  416.419   14.570  468.599   18.040 -52.18039 23.18904 
1 1 1  -13    6   13 o   83.961   23.435   9.6405   5.2908   9.2068   7.3357   10.111   7.6382   84.791   28.384   88.077   28.944 -3.285751 40.53905 
1 1 1  -13    6   14 o  262.327   11.135   89.694   7.5661   87.693   10.715   91.684   10.685  258.011   16.113  263.948   15.699 -5.937469 22.49681 
1 1 1  -13    6   15 o  197.296   22.940   52.532   11.505   65.190   18.301   44.260   14.794  215.404   33.921  176.921   33.508 38.48279 47.68073 
1 1 1  -13    6   16 o  375.129   10.320  183.446   10.028  177.264   14.216  189.569   14.148  367.452   14.935  380.183   14.367 -12.73087 20.72346 
1 1 1  -13    6   17 o  165.141   15.191   36.153   6.4253   36.360   9.2058   35.955   8.9722  163.503   22.319  162.741   21.834 0.7616730 31.22335 
1 1 1  -13    6   18 o   63.713   23.957   4.2191   5.3682   6.2299   7.2981   1.8487   7.9239   75.114   27.994   66.318   27.682 8.796173 39.36966 
1 1 1  -13    6   19 o  148.120   17.102   29.421   6.4410   30.981   9.1449   27.884   9.0734  149.538   24.454  141.222   25.753 8.315948 35.51369 
1 1 1  -13    6   20 o  213.814   13.305   60.311   7.3324   52.499   10.091   69.050   10.673  197.123   20.041  227.052   18.302 -29.92982 27.14063 
1 1 1  -13    6   21 o   71.964   25.306   6.4561   5.8501  -0.3605   7.8213   15.112   8.8137   61.103   26.550  102.605   30.742 -41.50143 40.61991 
1 1 1  -13    6   22 o  158.860   18.517   34.194   7.4767   42.840   11.397   27.663   9.9061  174.635   25.987  138.581   28.547 36.05472 38.60366 
1 1 1  -13    6   23 o  104.561   23.614   15.539   6.2445   11.940   8.4898   19.781   9.2171   92.238   30.524  115.831   30.353 -23.59274 43.04721 
1 1 1  -13    6   24 o  195.017   16.940   51.277   8.4724   46.855   10.325   60.390   14.823  183.844   22.127  204.722   28.744 -20.87735 36.27425 
1 1 1  -13    6   25 o  146.389   18.526   29.399   6.8677   28.246   9.6982   30.558   9.7266  138.799   27.941  145.116   26.865 -6.316711 38.76163 
1 1 1  -13    6   26 o   57.976   24.167   1.8189   6.0274  -2.9197   8.0644   7.8165   9.0726   56.488   25.590   80.506   30.938 -24.01822 40.14944 
1 1 1  -13    6   27 o  204.482   20.469   58.262   10.696   0.0000   0.0000   58.262   10.696  ?   ?   204.482   20.469 0.000000 20.46873 
1 1 1  -13    6   28 o   60.959   24.523   3.3146   5.9352  -3.1156   8.3792   9.7891   8.4080   56.736   25.850   83.427   30.222 -26.69087 39.76941 
1 1 1  -13    6   29 o   78.952   26.622   9.0362   6.4534   5.4686   8.9928   12.824   9.2662   73.474   29.957   91.567   31.869 -18.09319 43.73850 
1 1 1  -13    6   30 o   40.109   19.421  -8.8543   6.2112  -5.5442   8.6653 -12.3521   8.9077   53.868   25.154   47.475   23.052 6.392521 34.11858 
1 1 1  -13    6   31 o   75.905   27.791   8.1229   7.1369   3.6069   9.6899   13.478   10.551   70.348   30.045   92.101   33.780 -21.75242 45.20836 
1 1 1  -13    6   32 o   79.388   31.414   8.6150   9.5800   9.5430   12.220   7.1350   15.432   84.172   34.688   84.252   36.936 -0.8082581E-01 50.67070 
1 1 1  -13    6   33 o   90.402   35.215   13.627   11.877   23.710   18.983   7.1400   15.226  106.605   43.502   82.604   36.435 24.00114 56.74423 
1 1 1  -13    6   34 o   69.497   27.419   6.4300   7.2781   1.1984   10.576   11.136   10.031   66.113   29.684   83.100   32.365 -16.98660 43.91615 
1 1 1  -13    6   35 o  114.512   26.643   21.488   7.7541   22.594   10.971   20.385   10.961  108.665   34.606  102.957   34.696 5.708855 49.00370 
1 1 1  -13    6   36 o   57.439   27.258  -5.3294   10.934  -5.3294   10.934   0.0000   0.0000   57.439   27.258  ?   ?  0.000000 27.25753 
1 1 1  -13    6   37 o   49.638   23.327  -3.8490   7.6571   1.4551   11.202  -8.5005   10.490   64.704   29.636   52.718   25.457 11.98619 39.06854 
1 1 1  -13    6   38 o   50.074   23.633  -3.9860   8.0100   1.1955   11.219  -9.3734   11.440   63.485   29.289   53.646   26.065 9.838326 39.20766 
1 1 1  -13    6   39 o  125.896   25.317   26.932   7.9698   27.020   11.646   26.855   10.930  109.552   35.727  111.954   34.382 -2.402206 49.58372 
1 1 1  -13    6   40 o   69.546   28.763   8.5557   8.4430  -5.4324   11.863   22.916   12.019   55.913   27.017   95.750   35.878 -39.83743 44.91257 
1 1 1  -13    6   41 o   56.244   26.398   0.0365   9.7529  -1.7454   11.607   4.3160   17.988   57.322   27.446   67.588   32.803 -10.26516 42.77044 
1 1 1  -13    7    1 o  241.980   9.6996   76.047   6.0797   77.870   15.336   75.708   6.6223  241.809   24.837  241.374   10.592 0.4344025 27.00119 
1 1 1  -13    7    2 o  660.643   9.7398  566.862   16.667  574.800   35.564  564.628   18.868  661.969   20.741  659.073   11.052 2.895691 23.50152 
1 1 1  -13    7    3 o  179.280   11.801   41.982   5.4495   52.100   15.163   40.481   5.8397  195.575   30.963  175.885   12.908 19.68967 33.54560 
1 1 1  -13    7    4 o  197.983   11.279   51.128   5.7602  102.400   16.592   44.102   6.1422  277.956   23.259  183.602   12.999 94.35460 26.64486 
1 1 1  -13    7    5 o  428.932   14.436  239.851   16.039  251.300   23.852  230.400   21.671  437.444   21.050  419.151   19.960 18.29398 29.00838 
1 1 1  -13    7    6 o  350.574   9.4380  159.639   8.5706  156.274   12.331  162.784   11.921  346.297   13.747  353.548   13.017 -7.251709 18.93162 
1 1 1  -13    7    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13    7    8 o  281.814   9.9995  103.227   7.2995   99.446   10.552  106.696   10.108  275.628   14.835  286.073   13.641 -10.44574 20.15291 
1 1 1  -13    7    9 o  172.297   12.639   38.883   5.6015   30.102   7.9551   47.519   7.8888  149.812   21.083  189.941   16.188 -40.12872 26.58106 
1 1 1  -13    7   10 o   87.204   21.400   10.422   4.7979   10.750   6.6882   10.074   6.8867   89.267   26.788   87.167   27.378 2.099869 38.30324 
1 1 1  -13    7   11 o  399.093   12.524  207.684   12.947  215.500   18.328  199.900   18.291  405.247   17.460  390.114   18.101 15.13300 25.14968 
1 1 1  -13    7   12 o  296.370   10.480  114.343   8.0450  108.312   11.678  119.791   11.099  287.108   15.763  302.712   14.155 -15.60400 21.18539 
1 1 1  -13    7   13 o  187.072   12.967   45.925   6.2447   60.925   9.3608   33.896   8.3826  214.686   16.971  158.756   20.892 55.93010 26.91634 
1 1 1  -13    7   14 o   36.272   17.385  -6.5297   4.6845  -6.3144   6.6677  -6.7395   6.5830   46.937   21.965   45.938   21.602 0.9988327 30.80751 
1 1 1  -13    7   15 o  191.725   23.871   49.905   11.598   41.570   18.717   55.100   14.777  167.049   43.001  199.311   29.516 -32.26205 52.15590 
1 1 1  -13    7   16 o  409.848   10.045  218.985   10.664  218.235   15.570  219.648   14.636  407.609   14.747  409.280   13.805 -1.671326 20.20048 
1 1 1  -13    7   17 o  172.148   14.214   39.184   6.2816   36.674   9.0264   41.542   8.7472  164.263   21.749  175.736   19.547 -11.47321 29.24202 
1 1 1  -13    7   18 o  425.662   10.182  236.525   11.226  244.333   16.311  229.498   15.474  430.838   14.616  417.696   14.302 13.14203 20.44907 
1 1 1  -13    7   19 o  249.127   11.962   81.325   7.7190   83.619   11.305   79.322   10.565  250.389   17.542  244.129   16.809 6.259613 24.29524 
1 1 1  -13    7   20 o  191.478   13.986   48.546   6.8887   47.202   9.7986   49.860   9.6866  186.434   20.636  192.027   19.756 -5.593231 28.56849 
1 1 1  -13    7   21 f  212.921   13.703   59.999   7.5174   60.682   10.936   59.387   10.351  211.531   20.204  209.666   19.275 1.865585 27.92314 
1 1 1  -13    7   22 o   46.348   21.710  -5.8955   6.5391  -8.3680   8.3520  -1.9790   10.512   50.990   24.086   67.330   29.956 -16.33938 38.43785 
1 1 1  -13    7   23 f   70.023   25.136   6.0517   5.8000   15.372   8.1058  -3.7263   8.3025  102.483   29.149   56.806   25.824 45.67694 38.94256 
1 1 1  -13    7   24 o  149.221   28.293   32.482   10.536   44.710   15.840   22.780   14.109  169.446   37.117  120.328   39.328 49.11813 54.07716 
1 1 1  -13    7   25 o   81.006   25.938   9.2931   6.1568   18.226   8.7407   0.4970   8.6738  109.993   29.896   64.469   27.986 45.52370 40.95076 
1 1 1  -13    7   26 o  216.966   13.848   62.994   7.7421   67.613   10.990   58.444   10.909  221.503   19.348  204.851   20.849 16.65215 28.44336 
1 1 1  -13    7   27 o  160.784   16.352   35.298   6.7154   40.800   9.1620   28.911   9.8717  170.110   21.257  138.423   28.482 31.68733 35.53947 
1 1 1  -13    7   28 o  208.876   13.779   58.705   7.4130   53.567   10.548   63.720   10.420  194.560   21.277  214.146   18.982 -19.58582 28.51372 
1 1 1  -13    7   29 o   55.937   23.921   1.1201   6.1570  -2.8190   8.4245   5.6362   9.0205   56.883   25.918   73.646   30.013 -16.76304 39.65505 
1 1 1  -13    7   30 o  208.183   15.377   59.235   8.2332   67.186   11.708   51.457   11.580  216.940   21.101  186.700   24.540 30.24052 32.36518 
1 1 1  -13    7   31 o   46.499   22.093  -6.8637   7.2259   2.7490   11.195 -13.7274   9.4602   71.874   31.486   47.856   23.352 24.01888 39.20029 
1 1 1  -13    7   32 o  117.819   28.910   22.439   8.7567   23.780   10.727   19.760   15.161  117.143   33.603  102.931   39.872 14.21222 52.14387 
1 1 1  -13    7   33 o   89.488   34.749   13.514   11.536   26.580   18.015   4.4320   15.020  110.505   43.280   78.434   35.282 32.07115 55.83885 
1 1 1  -13    7   34 f   58.981   25.688   1.7441   7.3558   1.2215   10.080   2.3395   10.759   64.712   29.022   67.711   30.203 -2.998398 41.88669 
1 1 1  -13    7   35 o   58.211   26.092   0.5051   8.1344   13.962   11.684 -12.1527   11.332   87.050   34.614   52.834   25.732 34.21583 43.13069 
1 1 1  -13    7   36 o  108.760   28.794   20.777   8.2394   23.554   11.684   18.030   11.621  106.494   35.821   93.738   35.248 12.75629 50.25506 
1 1 1  -13    7   37 o   62.115   26.368   4.3008   7.3821   7.1940   10.623   1.5989   10.266   71.659   31.039   62.894   28.639 8.764412 42.23311 
1 1 1  -13    7   38 o   72.058   28.784   8.8122   8.1138  -2.6256   11.738   19.279   11.228   59.872   28.362   93.513   34.748 -33.64071 44.85399 
1 1 1  -13    7   39 o  101.828   30.951   20.761   8.8870   25.072   12.564   16.444   12.572  100.820   36.880   84.062   34.960 16.75790 50.81646 
1 1 1  -13    7   40 o   61.054   27.215   4.1016   8.7204   13.650   14.858  -0.9163   10.771   76.578   34.708   57.751   27.301 18.82610 44.15923 
1 1 1  -13    7   41 o   86.169   33.504   18.981   10.736   26.768   12.625  -1.3570   20.403   96.935   36.674   64.854   32.151 32.08110 48.77106 
1 1 1  -13    8    1 f  362.975   9.0837  171.089   8.5406  188.700   20.544  167.409   9.3906  378.464   21.039  358.939   10.100 19.52545 23.33745 
1 1 1  -13    8    2 o  243.341   10.091   76.944   6.3605   68.130   16.585   78.465   6.8871  224.561   29.203  245.672   10.823 -21.11140 31.14362 
1 1 1  -13    8    3 o  399.904   9.2603  207.706   9.5925  194.400   21.537  210.999   10.714  383.875   21.749  402.932   10.265 -19.05731 24.04951 
1 1 1  -13    8    4 o  439.448   9.4573  250.861   10.765  258.500   24.248  248.986   12.014  443.465   21.109  437.636   10.598 5.828796 23.62041 
1 1 1  -13    8    5 o  242.091   13.157   76.580   8.2194   51.750   17.142   83.993   9.3664  193.032   35.594  253.371   14.330 -60.33891 38.37028 
1 1 1  -13    8    6 o  373.077   11.419  181.103   11.035  216.300   22.897  170.455   12.594  404.657   21.926  361.621   13.445 43.03595 25.72020 
1 1 1  -13    8    7 o   51.061   20.141   1.9472   3.9264   1.2957   5.5084   2.6201   5.5983   56.333   23.261   60.331   23.969 -3.997158 33.40025 
1 1 1  -13    8    8 o   67.553   21.680   5.8853   4.2996   5.7457   6.1374   6.0198   6.0251   71.520   25.834   72.107   25.647 -0.5866394 36.40329 
1 1 1  -13    8    9 o  366.372   10.585  174.651   10.046  183.000   16.620  169.844   12.610  373.625   17.173  360.776   13.494 12.84857 21.83978 
1 1 1  -13    8   10 o  111.779   19.923   16.934   5.5570   20.930   7.4166   11.820   8.3907  123.577   24.035   94.390   30.286 29.18733 38.66414 
1 1 1  -13    8   11 o   93.787   21.400   12.086   5.0841   14.211   7.1443   9.9054   7.2365  101.239   26.817   86.847   28.153 14.39227 38.88119 
1 1 1  -13    8   12 o  230.151   11.619   69.248   6.9043   64.036   10.178   73.691   9.3970  219.841   18.032  236.618   15.416 -16.77617 23.72360 
1 1 1  -13    8   13 o  151.461   14.858   30.349   5.7540   30.904   8.1438   29.796   8.1311  151.203   21.390  148.294   21.820 2.909210 30.55558 
1 1 1  -13    8   14 o  208.986   15.279   57.646   8.2136   62.630   9.7403   45.380   15.281  217.274   17.454  178.550   34.287 38.72417 38.47346 
1 1 1  -13    8   15 f  327.989   12.684  140.778   10.776  135.900   23.250  142.113   12.161  314.458   28.865  329.091   14.266 -14.63382 32.19828 
1 1 1  -13    8   16 o  389.743   10.203  198.166   10.300  194.931   14.970  201.074   14.194  384.929   15.014  391.344   14.002 -6.414490 20.53038 
1 1 1  -13    8   17 o  476.514   10.064  296.332   12.422  299.251   18.048  293.704   17.124  476.855   14.612  472.730   13.984 4.125000 20.22510 
1 1 1  -13    8   18 o  139.385   17.018   26.103   6.0169   17.669   8.4317   34.855   8.5888  111.048   28.998  159.910   21.262 -48.86216 35.95819 
1 1 1  -13    8   19 o  125.551   18.930   21.469   5.9649   18.202   8.4677   24.687   8.4039  112.463   28.909  132.499   25.411 -20.03529 38.48912 
1 1 1  -13    8   20 o  216.153   13.035   61.682   7.2644   57.428   10.383   65.760   10.167  206.048   19.694  221.402   17.881 -15.35449 26.60023 
1 1 1  -13    8   21 o  237.887   15.732   75.424   9.6394   66.890   12.821   86.520   14.620  220.581   22.766  251.143   22.720 -30.56155 32.16346 
1 1 1  -13    8   22 o   55.040   23.313   0.8068   5.7507  -6.5437   7.7758   9.6807   8.5437   50.802   23.757   85.817   30.539 -35.01521 38.69132 
1 1 1  -13    8   23 o  151.889   17.323   31.312   6.6937   26.285   9.1863   37.001   9.7735  134.606   27.281  162.112   24.000 -27.50644 36.33519 
1 1 1  -13    8   24 o  177.274   26.455   45.161   11.776   33.090   17.244   55.710   16.120  140.392   43.198  191.767   33.682 -51.37453 54.77711 
1 1 1  -13    8   25 f  163.164   16.471   36.173   6.8663   45.390   9.7737   27.191   9.6483  180.256   21.347  135.117   28.466 45.13968 35.58077 
1 1 1  -13    8   26 o   75.577   26.233   7.8345   6.2765   4.3115   8.8891   11.337   8.8635   71.762   29.581   88.588   31.150 -16.82670 42.95749 
1 1 1  -13    8   27 o   72.211   26.172   6.8834   6.3066   10.378   8.8056   3.2029   9.0366   85.360   30.927   69.455   29.311 15.90582 42.61025 
1 1 1  -13    8   28 o   43.701   20.419  -4.4676   5.7238  -1.0173   8.2603  -7.6544   7.9387   59.260   26.446   48.860   23.198 10.39954 35.17877 
1 1 1  -13    8   29 o   92.142   25.698   12.927   6.3650   8.1251   8.7496   18.325   9.2765   78.502   30.324  106.470   31.455 -27.96810 43.69141 
1 1 1  -13    8   30 o  129.362   22.799   24.650   7.3604   25.169   10.024   24.043   10.843  124.438   31.165  119.492   33.617 4.945427 45.84118 
1 1 1  -13    8   31 o   75.285   30.157   7.1353   8.9335   20.300   11.614 -11.9400   13.980  107.179   35.713   61.946   29.780 45.23354 46.50038 
1 1 1  -13    8   32 o   88.078   27.980   12.470   7.1752   17.762   10.324   7.5255   9.9792  100.705   33.673   76.779   31.460 23.92673 46.08269 
1 1 1  -13    8   33 o   69.951   31.302   2.3280   11.656   0.3487   16.770   4.1780   16.213   75.841   35.272   78.922   35.959 -3.080894 50.37029 
1 1 1  -13    8   34 o   97.365   28.897   16.253   7.8150   17.504   10.917   14.938   11.192   96.151   34.489   90.105   34.424 6.046684 48.72920 
1 1 1  -13    8   35 o   87.197   28.932   13.318   7.6251   7.4358   10.675   19.446   10.895   73.914   31.551   99.067   34.552 -25.15247 46.78989 
1 1 1  -13    8   36 o   79.340   29.422   11.102   8.0416   12.844   11.184   9.2369   11.571   82.576   33.506   76.320   32.720 6.256386 46.83230 
1 1 1  -13    8   37 o   97.010   29.878   17.692   8.2474   24.045   11.798   11.621   11.534  104.315   35.980   78.915   33.198 25.40034 48.95564 
1 1 1  -13    8   38 o  107.937   28.434   21.353   8.0606   22.265   10.530   20.061   12.527  101.560   34.007   91.943   36.068 9.616837 49.57203 
1 1 1  -13    8   39 o   82.912   28.365   13.283   7.3275   30.089   10.192  -4.6950   10.542  122.319   31.854   54.256   26.025 68.06230 41.13327 
1 1 1  -13    8   40 o   51.366   24.626  -4.2063   9.4138  -5.8300   11.418  -0.7593   16.636   53.881   26.147   64.053   31.192 -10.17133 40.70155 
1 1 1  -13    9    1 o  738.581   10.236  709.125   19.583  732.100   41.918  702.712   22.148  745.654   21.703  734.837   11.636 10.81696 24.62525 
1 1 1  -13    9    2 o  258.023   10.298   86.552   6.8831   76.230   17.308   88.491   7.5018  237.578   28.707  260.818   11.104 -23.23996 30.77956 
1 1 1  -13    9    3 o  261.501   10.424   88.914   7.0607   82.590   17.359   90.168   7.7289  247.764   27.513  263.244   11.335 -15.48065 29.75648 
1 1 1  -13    9    4 f  451.660   14.633  266.294   17.120  257.800   25.271  273.500   23.275  442.197   22.063  456.282   19.693 -14.08508 29.57316 
1 1 1  -13    9    5 o  301.003   10.558  117.841   8.2323  125.500   20.183  116.313   9.0165  306.488   25.658  298.908   11.645 7.579834 28.17735 
1 1 1  -13    9    6 o  329.902   10.219  141.536   8.7326  180.000   22.424  134.660   9.4811  368.075   23.644  321.631   11.380 46.44370 26.24027 
1 1 1  -13    9    7 o  614.394   10.172  490.970   16.188  482.500   34.682  493.329   18.304  604.305   22.156  615.512   11.480 -11.20758 24.95408 
1 1 1  -13    9    8 o  307.056   12.302  122.910   9.7849  128.400   13.889  117.500   13.788  312.408   17.230  298.626   17.907 13.78186 24.84985 
1 1 1  -13    9    9 o  349.655   17.686  161.000   15.966   0.0000   0.0000  161.000   15.966  ?   ?   349.655   17.686 0.000000 17.68582 
1 1 1  -13    9   10 o   39.203   17.988  -2.9277   4.1525  -2.6001   5.6703  -3.3065   6.0979   48.198   21.680   49.014   22.224 -0.8160591 31.04671 
1 1 1  -13    9   11 o  377.300   9.9026  185.315   9.6780  185.933   13.976  184.745   13.414  376.884   14.316  375.825   13.780 1.059204 19.87049 
1 1 1  -13    9   12 o  526.237   9.9355  360.639   13.543  365.454   19.539  356.187   18.789  528.195   14.281  521.608   13.906 6.587036 19.93312 
1 1 1  -13    9   13 o   66.934   23.591   5.3459   5.0865   10.507   7.4870   0.9218   6.9320   88.656   28.626   60.946   25.693 27.70966 38.46526 
1 1 1  -13    9   14 o  235.199   21.750   74.412   13.101   32.860   21.170  100.200   16.678  147.902   48.166  272.214   23.894 -124.3121 53.76703 
1 1 1  -13    9   15 o  330.464   10.763  142.587   9.2133  139.735   13.379  145.159   12.706  325.611   15.862  332.255   14.764 -6.643982 21.66996 
1 1 1  -13    9   16 o  624.276   10.399  508.859   16.815  515.950   24.487  502.531   23.131  625.809   15.106  618.063   14.448 7.746460 20.90314 
1 1 1  -13    9   17 o  120.392   19.584   19.800   5.8975   25.030   8.3502   14.595   8.3305  133.804   25.012  101.366   29.769 32.43813 38.88142 
1 1 1  -13    9   18 o   38.976   18.476  -5.7401   4.9981  -6.3261   7.1483  -5.1797   6.9911   48.736   22.787   49.671   22.988 -0.9344902 32.36767 
1 1 1  -13    9   19 o  215.934   12.904   61.523   7.1844   64.821   10.502   58.623   9.8499  219.514   18.646  208.787   18.401 10.72740 26.19686 
1 1 1  -13    9   20 o  266.300   12.690   93.316   8.7534  103.300   14.137   87.108   11.147  276.414   19.878  255.206   16.959 21.20757 26.12917 
1 1 1  -13    9   21 o   98.486   26.132   13.961   6.7765   10.341   8.6921   19.570   10.820   87.910   30.851  114.377   34.016 -26.46662 45.92195 
1 1 1  -13    9   22 o   76.720   25.070   8.0524   5.7335   8.7430   8.1449   7.3740   8.0723   82.359   29.759   78.549   29.408 3.810074 41.83844 
1 1 1  -13    9   23 o  186.422   14.689   46.523   7.0356   43.839   9.9457   49.210   9.9539  177.363   22.130  188.849   20.687 -11.48534 30.29301 
1 1 1  -13    9   24 o  156.221   21.219   34.115   8.3641   36.070   17.593   33.545   9.5074  145.187   43.417  152.888   24.861 -7.700836 50.03151 
1 1 1  -13    9   25 o   70.017   25.316   6.2772   5.8957   12.336   8.5348   0.7472   8.1539   91.409   30.616   62.805   27.199 28.60480 40.95284 
1 1 1  -13    9   26 o   88.881   25.778   11.741   6.2814   20.508   9.0218   3.4917   8.7508  115.119   29.964   69.435   29.046 45.68396 41.73172 
1 1 1  -13    9   27 o   75.390   26.384   7.9426   6.3553   13.145   9.0161   2.8051   8.9598   92.566   31.465   68.197   29.002 24.36971 42.79265 
1 1 1  -13    9   28 o  154.881   17.715   33.379   6.9793   27.701   9.7580   39.326   9.9863  133.482   29.047  163.608   24.302 -30.12552 37.87287 
1 1 1  -13    9   29 o  113.522   23.532   19.192   6.6926   24.244   9.3256   13.826   9.6103  123.638   29.526   93.119   32.452 30.51902 43.87399 
1 1 1  -13    9   30 o   77.131   27.594   8.7008   6.9840   18.472   9.6729  -1.9409   10.094  105.046   32.358   62.395   28.407 42.65108 43.05851 
1 1 1  -13    9   31 o   54.670   24.837  -1.8873   7.6640  -3.3483   9.7775   0.4408   12.342   59.156   27.310   70.179   31.737 -11.02317 41.86923 
1 1 1  -13    9   32 o  103.457   27.365   17.347   7.4465   28.678   10.122   3.9772   10.994  131.084   30.399   71.621   31.292 59.46323 43.62722 
1 1 1  -13    9   33 o   45.899   22.462 -12.7167   8.9392 -23.1100   18.233  -9.4278   10.257   61.638   30.527   52.831   25.426 8.807312 39.72867 
1 1 1  -13    9   34 f  116.335   24.003   21.408   6.9931   18.118   9.5766   25.167   10.236   98.758   32.407  117.036   32.570 -18.27786 45.94548 
1 1 1  -13    9   35 o   65.918   27.475   5.4258   7.7893   4.5587   10.771   6.3762   11.277   68.822   30.485   72.184   31.612 -3.362106 43.91644 
1 1 1  -13    9   36 o  111.322   28.657   22.104   8.3123   16.513   11.717   27.769   11.794   88.626   34.845  114.546   35.805 -25.92033 49.96168 
1 1 1  -13    9   37 o   60.095   25.931   3.6786   7.3571  -2.8556   10.137   10.951   10.694   56.459   26.628   76.898   32.134 -20.43950 41.73295 
1 1 1  -13    9   38 f   86.350   29.125   14.451   7.7239   11.431   11.823   16.700   10.202   76.263   32.890   87.537   33.003 -11.27386 46.59352 
1 1 1  -13    9   39 o   60.716   27.079   3.8774   8.6456   7.9529   12.160  -0.2891   12.295   69.629   31.493   60.752   28.851 8.876446 42.71096 
1 1 1  -13    9   40 o   61.200   27.770   4.3979   9.5450   11.970   12.246  -7.3220   15.235   72.742   32.350   57.781   28.484 14.96092 43.10283 
1 1 1  -13   10    1 o  299.343   9.7818  116.492   7.5847  130.800   18.598  113.638   8.3069  313.723   23.047  295.524   10.852 18.19839 25.47428 
1 1 1  -13   10    2 o  310.072   12.675  125.319   10.180  188.100   21.170  106.435   11.610  376.957   21.774  284.831   15.798 92.12555 26.90135 
1 1 1  -13   10    3 o  198.869   16.349   52.112   8.3475   52.800   17.447   51.908   9.5060  194.216   36.007  197.944   18.764 -3.728439 40.60313 
1 1 1  -13   10    4 o  283.240   12.191  104.542   8.9443  111.300   19.045  102.629   10.131  288.161   25.787  280.373   13.950 7.788300 29.31844 
1 1 1  -13   10    5 o  383.313   9.8556  191.082   9.7856  181.000   22.364  193.469   10.883  368.816   23.532  385.523   10.898 -16.70792 25.93285 
1 1 1  -13   10    6 o  848.518   12.736  939.165   27.992   0.0000   0.0000  939.165   27.992  ?   ?   848.518   12.736 0.000000 12.73555 
1 1 1  -13   10    7 o  389.106   13.393  197.711   13.499   0.0000   0.0000  197.711   13.499  ?   ?   389.106   13.393 0.000000 13.39276 
1 1 1  -13   10    8 o  300.160   11.095  117.383   8.6260  123.300   20.804  116.154   9.4793  302.253   26.852  298.389   12.264 3.864471 29.52019 
1 1 1  -13   10    9 o  251.512   13.830   82.974   8.9757  108.000   21.645   77.776   9.8638  280.889   30.225  243.026   15.754 37.86380 34.08408 
1 1 1  -13   10   10 o   51.404   21.205   1.1436   4.5716   0.2728   6.3340   2.0905   6.6049   57.170   24.351   62.513   25.602 -5.342953 35.33293 
1 1 1  -13   10   11 o  141.080   15.275   26.418   5.4929   28.423   8.2427   24.816   7.3671  144.389   22.795  135.007   21.810 9.382263 31.54825 
1 1 1  -13   10   12 o  200.884   12.914   53.015   6.6842   66.247   9.9544   42.150   9.0204  223.461   17.333  177.179   20.005 46.28224 26.46940 
1 1 1  -13   10   13 o  217.103   12.464   61.871   6.9797   65.559   9.8862   58.205   9.8553  222.155   17.317  208.905   18.400 13.25029 25.26753 
1 1 1  -13   10   14 o  380.825   12.538  189.932   12.368  207.400   26.605  185.117   13.969  389.781   26.508  375.316   14.369 14.46454 30.15204 
1 1 1  -13   10   15 o  345.220   10.685  155.694   9.5548  145.862   13.744  164.891   13.293  332.382   15.963  353.990   14.497 -21.60806 21.56331 
1 1 1  -13   10   16 o  290.990   11.229  110.790   8.4639  115.469   12.400  106.709   11.581  295.003   16.291  283.754   15.819 11.24915 22.70779 
1 1 1  -13   10   17 o  238.305   12.301   74.702   7.5673   80.041   10.997   69.900   10.429  244.825   17.455  228.592   17.753 16.23364 24.89620 
1 1 1  -13   10   18 o  116.051   20.298   18.571   5.8794   22.736   8.4900   14.733   8.1499  126.309   26.780  101.306   29.357 25.00280 39.73679 
1 1 1  -13   10   19 o  177.079   14.667   41.740   6.6670   38.605   9.6435   44.611   9.2274  167.073   22.885  181.074   20.007 -14.00124 30.39741 
1 1 1  -13   10   20 o  260.950   14.924   90.562   10.046   73.910   13.688  110.000   14.789  231.406   23.147  284.681   20.187 -53.27519 30.71269 
1 1 1  -13   10   21 o   65.531   24.684   4.7367   5.7036   0.5151   8.0127   9.0729   8.1207   62.871   27.095   83.294   29.760 -20.42340 40.24624 
1 1 1  -13   10   22 o  150.356   16.915   30.676   6.4736   32.383   9.0929   28.921   9.2185  151.243   24.013  141.725   26.072 9.517914 35.44474 
1 1 1  -13   10   23 o  178.149   18.922   43.557   8.5983   45.585   10.295   38.880   15.635  180.242   22.543  154.933   38.990 25.30937 45.03772 
1 1 1  -13   10   24 o  123.181   20.738   21.400   6.3819   27.793   9.4107   15.957   8.6838  136.961   27.482  102.372   30.479 34.58881 41.03915 
1 1 1  -13   10   25 o   96.630   30.513   14.262   8.5429   14.262   8.5429   0.0000   0.0000   96.630   30.513  ?   ?  0.000000 30.51278 
1 1 1  -13   10   26 o   95.780   23.313   13.523   5.7293   8.9062   8.1509   18.032   8.0549   80.506   29.666  108.253   28.379 -27.74673 41.05378 
1 1 1  -13   10   27 o  203.600   14.877   56.305   7.7917   59.374   11.263   53.489   10.790  203.995   21.646  193.305   21.938 10.68982 30.81948 
1 1 1  -13   10   28 o  190.449   15.559   49.677   7.6086   43.100   10.796   56.165   10.724  170.100   25.271  198.128   21.227 -28.02740 33.00329 
1 1 1  -13   10   29 o   80.430   26.530   9.7812   6.4150   5.1736   8.5948   15.576   9.6390   70.847   29.132   97.231   32.537 -26.38354 43.67288 
1 1 1  -13   10   30 o   60.495   26.400   1.1907   7.8048   15.540   11.165 -12.5200   10.914   95.635   34.799   53.203   25.758 42.43154 43.29465 
1 1 1  -13   10   31 o   80.844   27.015   10.243   6.6450  -3.9954   9.3118   25.017   9.4854   56.645   26.324  122.842   30.056 -66.19673 39.95414 
1 1 1  -13   10   32 o   80.715   30.502   10.360   8.7267   14.339   10.365   0.6730   16.172   90.435   33.429   75.098   34.828 15.33618 48.27551 
1 1 1  -13   10   33 o   75.035   30.422   8.2447   9.2111   8.7610   18.563   8.0760   10.609   83.551   38.224   76.067   31.912 7.483345 49.79425 
1 1 1  -13   10   34 o  118.897   27.232   23.756   8.2065   3.1870   11.437   45.583   11.782   68.310   30.752  164.025   28.780 -95.71555 42.11848 
1 1 1  -13   10   35 f  102.582   29.437   19.105   8.2306   12.050   11.350   26.930   11.953   80.839   33.385  112.735   36.146 -31.89534 49.20437 
1 1 1  -13   10   36 o   50.290   23.520  -2.8763   7.6250   2.1966   10.830  -7.8632   10.738   63.998   29.248   53.210   25.710 10.78722 38.94107 
1 1 1  -13   10   37 o   46.939   22.391  -5.1009   7.5754   6.3534   11.255 -14.5864   10.243   69.045   30.838   46.327   22.933 22.71768 38.43014 
1 1 1  -13   10   38 f   65.400   27.850   6.4614   8.2820   3.0779   11.526   10.073   11.909   63.884   29.548   73.207   32.260 -9.323380 43.74664 
1 1 1  -13   10   39 o  157.879   25.485   43.900   10.067   42.980   16.239   44.475   12.830  117.198   42.061  141.457   35.166 -24.25951 54.82493 
1 1 1  -13   10   40 o   62.580   27.408   6.3924   8.4789   13.664   11.660  -1.7691   12.352   74.090   32.302   57.185   27.617 16.90472 42.49852 
1 1 1  -13   11    1 o   59.566   21.687   3.8740   4.3375   2.7040   15.294   3.9764   4.5232   90.341   38.129   60.569   22.132 29.77227 44.08661 
1 1 1  -13   11    2 o  382.128   16.338  191.407   16.172  214.400   24.074  172.500   21.830  401.356   23.256  359.745   23.557 41.61102 33.10238 
1 1 1  -13   11    3 o  155.137   16.667   31.917   6.5927   10.530   17.535   35.438   7.1147  107.256   42.481  163.475   17.053 -56.21832 45.77611 
1 1 1  -13   11    4 o   98.901   21.909   13.440   5.4648   0.0000   0.0000   13.440   5.4648  ?   ?    98.901   21.909 0.000000 21.90852 
1 1 1  -13   11    5 o  261.895   13.816   89.895   9.3393   0.0000   0.0000   89.895   9.3393  ?   ?   261.895   13.816 0.000000 13.81585 
1 1 1  -13   11    6 o  285.862   12.399  106.650   9.1811   71.970   20.188  115.692   10.309  226.461   35.590  297.549   13.375 -71.08829 38.02002 
1 1 1  -13   11    7 o  352.342   10.459  161.704   9.5457  167.500   22.680  160.456   10.523  353.136   24.955  350.754   11.582 2.381500 27.51141 
1 1 1  -13   11    8 o  488.464   10.178  310.770   12.878  290.500   28.603  315.923   14.423  465.899   23.780  492.171   11.313 -26.27206 26.33435 
1 1 1  -13   11    9 o  209.647   13.473   57.747   7.2777   47.130   20.116   59.346   7.8065  177.943   43.911  212.358   14.275 -34.41527 46.17295 
1 1 1  -13   11   10 o  171.793   17.222   39.280   7.5605   50.010   19.119   37.291   8.2314  184.242   41.106  166.732   19.423 17.50941 45.46358 
1 1 1  -13   11   11 o  143.156   15.891   27.288   5.7931   26.375   8.2730   28.167   8.1145  138.398   23.944  143.571   22.564 -5.173264 32.90042 
1 1 1  -13   11   12 o  312.599   10.576  127.533   8.5634  125.751   12.327  129.195   11.905  309.090   15.397  313.530   14.659 -4.439270 21.25878 
1 1 1  -13   11   13 o  225.111   23.489   68.922   13.495   93.590   21.304   52.390   17.440  257.372   32.694  189.447   36.866 67.92505 49.27463 
1 1 1  -13   11   14 o  103.015   21.384   14.717   5.5192   26.851   8.4375   5.6415   7.2969  139.057   24.310   73.341   27.849 65.71551 36.96680 
1 1 1  -13   11   15 o  217.200   12.578   62.098   7.0460   65.348   10.300   59.240   9.6602  220.944   18.157  210.397   17.895 10.54703 25.49357 
1 1 1  -13   11   16 o  172.849   14.886   39.720   6.6000   39.799   9.3293   39.641   9.3384  170.663   21.587  170.288   21.661 0.3746948 30.58080 
1 1 1  -13   11   17 o   58.744   23.573   2.5670   5.4694   1.2417   8.0546   3.7010   7.4505   64.988   27.563   68.415   27.492 -3.427162 38.92957 
1 1 1  -13   11   18 o   67.486   24.589   5.3521   5.5775   2.2231   8.1109   8.1590   7.6821   67.021   27.994   80.543   28.927 -13.52161 40.25446 
1 1 1  -13   11   19 o  227.580   15.796   69.174   9.2540   74.920   13.350   63.860   12.839  233.451   22.350  214.764   23.460 18.68681 32.40269 
1 1 1  -13   11   20 o   48.463   21.814  -2.2470   5.7518   4.9227   8.5257  -8.2361   7.7922   73.647   29.475   48.668   23.071 24.97861 37.42993 
1 1 1  -13   11   21 o   36.625   17.743  -8.0948   5.1987 -10.6366   7.4898  -5.7318   7.2217   44.583   21.524   49.330   23.011 -4.747726 31.50858 
1 1 1  -13   11   22 o  111.020   22.391   17.569   6.2169   17.859   8.8392   17.285   8.7457  108.828   30.260  107.130   30.210 1.698341 42.75889 
1 1 1  -13   11   23 o  121.837   34.975   23.598   11.617   22.210   17.991   24.590   15.213  116.549   43.851  121.538   40.875 -4.988937 59.94735 
1 1 1  -13   11   24 o  131.820   19.670   24.362   6.5108   35.373   9.2605   13.599   9.1556  156.975   23.497   94.806   31.711 62.16856 39.46752 
1 1 1  -13   11   25 o  127.541   20.130   23.031   6.4298   15.069   9.1159   30.913   9.0704   98.300   31.571  145.059   25.045 -46.75850 40.29844 
1 1 1  -13   11   26 o  200.029   14.541   54.219   7.4829   47.053   10.438   61.796   10.733  180.608   22.821  209.614   20.010 -29.00656 30.35135 
1 1 1  -13   11   27 o  103.907   24.528   16.272   6.4959   17.584   9.2229   14.980   9.1506  104.137   31.503   96.640   31.676 7.497360 44.67465 
1 1 1  -13   11   28 o  126.907   21.078   23.370   6.6857   26.620   9.9686   20.713   9.0135  128.587   30.407  113.177   30.189 15.40984 42.84811 
1 1 1  -13   11   29 o  165.423   19.198   38.980   8.0731   36.460   12.438   40.815   10.613  147.218   33.384  163.615   25.903 -16.39714 42.25518 
1 1 1  -13   11   30 o   61.068   26.030   2.4627   7.2478   2.0314   9.4913   3.0660   11.226   65.947   28.937   71.220   31.355 -5.273903 42.66752 
1 1 1  -13   11   31 o   83.493   28.426   11.297   7.3585   28.389   10.861  -3.2048   10.005  127.405   32.735   59.168   27.424 68.23758 42.70410 
1 1 1  -13   11   32 o   59.245   28.021  -5.6024   11.370  -6.5390   17.970  -4.9770   14.683   70.741   33.944   66.692   31.631 4.048347 46.39688 
1 1 1  -13   11   33 o   52.614   24.079  -1.5519   7.3739  -3.2277   10.469   0.0984   10.388   58.809   27.521   62.657   28.639 -3.848701 39.71937 
1 1 1  -13   11   34 o   44.268   21.419  -8.2323   7.5174  -4.4166   10.587 -12.1129   10.676   57.017   26.988   50.387   24.634 6.629993 36.54085 
1 1 1  -13   11   35 o   51.448   24.033  -2.7696   7.9225  -6.7982   11.134   1.3623   11.276   55.243   26.563   63.956   29.455 -8.712505 39.66298 
1 1 1  -13   11   36 f   72.574   28.404   9.2029   7.7551  -0.9258   11.071   18.962   10.867   60.110   28.185   92.799   34.243 -32.68974 44.35089 
1 1 1  -13   11   37 f   62.008   26.023   5.2845   7.0587  -1.7896   9.7151   13.195   10.273   55.767   26.230   79.422   32.153 -23.65500 41.49506 
1 1 1  -13   11   38 o   66.458   28.097   7.3764   8.3279 -12.3064   11.214   31.584   12.436   49.126   24.259  112.687   36.927 -63.56026 44.18214 
1 1 1  -13   11   39 o   80.191   33.151   16.330   11.208   18.720   14.873   13.190   17.051   79.599   35.508   73.020   34.468 6.578918 49.48579 
1 1 1  -13   12    1 o  199.088   15.838   52.312   8.1001   0.0000   0.0000   52.312   8.1001  ?   ?   199.088   15.838 0.000000 15.83808 
1 1 1  -13   12    2 o   72.918   24.240   6.7824   5.3515   0.0000   0.0000   6.7824   5.3515  ?   ?    72.918   24.240 0.000000 24.23956 
1 1 1  -13   12    3 o  139.350   16.919   25.885   5.9818   35.160   18.184   24.759   6.3344  154.666   43.543  135.871   18.477 18.79482 47.30154 
1 1 1  -13   12    4 o  172.844   20.695   40.103   9.0813   68.710   19.569   32.252   10.252  220.805   35.412  152.866   26.872 67.93825 44.45334 
1 1 1  -13   12    5 o  291.589   10.798  110.828   8.1560  117.900   21.629  109.656   8.8060  293.857   28.784  289.876   11.728 3.980621 31.08179 
1 1 1  -13   12    6 o  272.092   11.260   96.578   7.9362   86.300   19.909   98.519   8.6535  249.548   31.502  274.649   12.164 -25.10065 33.76870 
1 1 1  -13   12    7 o  210.515   12.883   58.171   6.9915   78.770   20.119   55.342   7.4562  236.887   33.742  205.036   14.125 31.85176 36.57946 
1 1 1  -13   12    8 o   56.296   22.959   1.7810   5.2834   24.490   17.354  -0.5388   5.5467  130.949   43.657   51.702   22.412 79.24669 49.07316 
1 1 1  -13   12    9 o  380.885   10.746  189.301   10.602  140.600   24.233  200.831   11.791  319.367   29.630  392.069   11.610 -72.70123 31.82378 
1 1 1  -13   12   10 o  224.855   13.298   66.497   7.7109   66.750   21.692   66.460   8.2497  212.616   40.872  224.538   14.258 -11.92201 43.28789 
1 1 1  -13   12   11 o  175.541   15.447   40.892   6.9521   49.840   21.220   39.816   7.3582  179.940   45.499  172.868   16.638 7.072388 48.44593 
1 1 1  -13   12   12 o   83.699   33.558   5.9751   11.074   1.2870   18.273   8.6960   13.921   93.023   40.501   94.912   37.769 -1.888466 55.37895 
1 1 1  -13   12   13 o   87.308   27.049   10.521   6.7479   25.850   19.673   8.4773   7.1837  132.175   46.411   81.213   28.072 50.96283 54.24010 
1 1 1  -13   12   14 o   59.308   23.031   3.2156   5.0679   3.3834   7.4634   3.0720   6.9034   67.899   27.434   65.317   26.387 2.581810 38.06483 
1 1 1  -13   12   15 o  208.041   12.819   57.091   6.8745   54.957   9.9912   59.010   9.4736  201.785   19.353  209.872   17.589 -8.087906 26.15111 
1 1 1  -13   12   16 o   66.821   24.524   5.1363   5.5626  -2.5888   8.0187   12.302   7.7230   57.855   25.921   93.325   28.941 -35.46958 38.85188 
1 1 1  -13   12   17 o  100.090   22.798   14.151   5.7787   17.997   7.9335   9.8053   8.4340  111.567   27.603   86.315   30.382 25.25269 41.04911 
1 1 1  -13   12   18 o  135.042   20.717   25.202   7.0155   19.790   9.5627   31.510   10.324  115.557   31.212  147.901   27.972 -32.34364 41.91238 
1 1 1  -13   12   19 o  220.388   19.444   66.127   10.986   66.127   10.986   0.0000   0.0000  220.388   19.444  ?   ?  0.000000 19.44442 
1 1 1  -13   12   20 o  117.531   21.862   19.476   6.4109   23.732   8.9502   14.991   9.1872  127.175   27.933  100.612   31.626 26.56263 42.19534 
1 1 1  -13   12   21 o  211.620   13.872   59.774   7.5621   54.341   10.823   64.956   10.570  197.699   21.481  217.936   18.912 -20.23714 28.61951 
1 1 1  -13   12   22 o  164.380   19.978   37.541   8.3316   38.658   9.6844   34.360   16.344  164.899   23.323  142.081   41.688 22.81847 47.76910 
1 1 1  -13   12   23 o  129.020   25.027   24.380   8.0622   24.960   17.411   24.221   9.0961  120.033   43.489  126.567   28.438 -6.534431 51.96217 
1 1 1  -13   12   24 o   59.642   24.437   2.7342   6.0208  -6.5978   8.4321   12.441   8.5999   52.174   24.507   90.787   30.731 -38.61325 39.30629 
1 1 1  -13   12   25 o   44.435   20.761  -4.5508   5.9159  -3.6764   8.1436  -5.5279   8.6084   54.726   25.140   53.882   25.130 0.8438034 35.54631 
1 1 1  -13   12   26 o   63.808   25.358   4.2696   6.2678  -4.6380   8.8986   13.040   8.8298   55.732   25.843   91.259   31.138 -35.52718 40.46525 
1 1 1  -13   12   27 o   56.690   24.033   1.7037   6.1193   1.5328   8.4805   1.8893   8.8386   63.548   27.629   65.151   28.266 -1.603882 39.52666 
1 1 1  -13   12   28 o  120.005   23.374   21.582   7.0047   12.506   9.7099   31.431   10.115   88.645   32.422  140.936   28.682 -52.29153 43.28758 
1 1 1  -13   12   29 o  148.395   23.634   33.105   8.7799   45.120   12.309   20.660   12.527  167.720   29.404  105.848   37.042 61.87199 47.29430 
1 1 1  -13   12   30 o   53.139   23.792  -0.6436   6.7440   13.401   9.7805 -13.3744   9.3117   88.967   32.539   46.929   22.957 42.03709 39.82267 
1 1 1  -13   12   31 o   50.985   23.156  -1.4698   6.6558  -2.3397   9.8790  -0.7466   9.0069   59.392   27.430   59.272   26.927 0.1198502 38.43744 
1 1 1  -13   12   32 o  158.699   35.686   47.478   14.314   45.540   21.704   48.970   19.042  126.451   48.027  141.223   45.657 -14.77224 66.26589 
1 1 1  -13   12   33 o   60.786   26.263   3.1319   7.5675   6.7906   10.709  -0.5178   10.695   72.167   31.211   61.831   28.551 10.33589 42.30018 
1 1 1  -13   12   34 o  135.343   25.233   30.254   8.5206   31.866   12.214   28.727   11.892  123.302   36.000  116.470   35.879 6.832260 50.82586 
1 1 1  -13   12   35 o  143.679   23.321   33.455   8.3817   43.879   11.865   23.069   11.842  153.957   30.827  100.486   35.934 53.47118 47.34459 
1 1 1  -13   12   36 o   54.124   24.689   0.2807   7.6716  -5.1317   10.662   6.0908   11.047   54.507   26.152   67.945   30.434 -13.43729 40.12665 
1 1 1  -13   12   37 o   64.097   27.778   5.8680   8.5167  -6.9769   11.998   18.913   12.091   54.740   26.619   87.023   35.004 -32.28316 43.97582 
1 1 1  -13   12   38 o   38.605   19.298 -15.0700   8.0100 -45.7400   14.404  -1.3403   9.6376   41.449   21.229   54.515   25.788 -13.06570 33.40168 
1 1 1  -13   12   39 o   44.379   21.973 -11.3182   9.4200 -24.8977   11.745   13.170   15.772   42.383   21.460   71.320   33.505 -28.93673 39.78854 
1 1 1  -13   13    1 o   71.509   22.722   6.7398   4.7317  -4.9440   15.686   7.9095   4.9629   80.478   36.141   76.529   23.100 3.949188 42.89277 
1 1 1  -13   13    2 o  220.958   12.203   63.982   6.9575   71.470   17.785   62.629   7.5600  226.737   31.101  218.332   13.433 8.405304 33.87760 
1 1 1  -13   13    3 o  128.328   16.826   22.043   5.4584   19.190   16.493   22.393   5.7843  119.861   42.454  129.131   17.763 -9.269638 46.02092 
1 1 1  -13   13    4 o   77.367   22.860   8.1436   4.8993   1.6060   19.041   8.6071   5.0700   96.291   41.632   79.386   23.198 16.90455 47.65912 
1 1 1  -13   13    5 o  135.941   16.835   24.712   5.8014 -13.9900   18.041   29.176   6.1268   77.549   36.240  148.016   16.247 -70.46681 39.71491 
1 1 1  -13   13    6 o   44.882   19.994  -1.6590   4.6992   7.7340   18.112  -2.3370   4.8658  102.239   42.194   44.356   20.005 57.88321 46.69601 
1 1 1  -13   13    7 f  304.389   11.288  121.031   8.9001  110.900   21.862  123.044   9.7441  282.668   30.332  306.674   12.266 -24.00574 32.71837 
1 1 1  -13   13    8 o   51.571   21.625   0.7655   4.8680   12.810   18.185  -0.1643   5.0524  109.597   43.308   50.091   21.552 59.50587 48.37432 
1 1 1  -13   13    9 o  178.931   15.145   42.448   6.9536   64.110   21.238   39.846   7.3592  207.497   40.967  172.908   16.636 34.58952 44.21624 
1 1 1  -13   13   10 o  274.375   12.329   98.642   8.7627  114.600   23.652   96.103   9.4340  284.603   32.676  270.520   13.463 14.08331 35.34061 
1 1 1  -13   13   11 o  133.405   19.225   24.175   6.4516   21.320   19.651   24.520   6.8302  124.164   46.002  134.024   20.311 -9.859558 50.28650 
1 1 1  -13   13   12 o  198.225   26.451   54.667   13.243   72.170   22.121   44.890   16.533  219.090   40.470  173.279   37.890 45.81119 55.43827 
1 1 1  -13   13   13 o  205.293   16.870   56.312   8.8918   44.470   22.374   58.533   9.6898  165.300   48.855  208.855   18.090 -43.55490 52.09652 
1 1 1  -13   13   14 o   41.018   19.011  -3.7995   4.8078  -8.3814   6.7696   0.8637   6.8294   44.275   21.133   59.751   25.363 -15.47613 33.01331 
1 1 1  -13   13   15 f  126.440   18.360   21.789   5.8374   22.977   8.7463   20.836   7.8387  126.451   27.487  120.917   25.812 5.533600 37.70705 
1 1 1  -13   13   16 o  123.913   18.827   21.033   5.8527   18.200   8.5054   23.582   8.0660  111.634   29.112  128.912   25.058 -17.27749 38.41086 
1 1 1  -13   13   17 o  101.689   24.683   14.825   6.4359   20.520   8.8976   8.5760   9.3205  118.192   29.227   84.144   31.581 34.04750 43.02992 
1 1 1  -13   13   18 o  241.837   12.626   77.392   7.8819   78.404   11.565   76.513   10.771  240.410   18.718  238.105   17.588 2.305099 25.68508 
1 1 1  -13   13   19 o  167.786   16.313   38.029   7.0002   35.303   9.9715   40.677   9.8297  157.209   25.349  170.371   22.849 -13.16202 34.12718 
1 1 1  -13   13   20 o  183.769   15.133   45.414   7.1397   37.891   10.111   52.896   10.083  162.839   24.749  195.734   20.177 -32.89406 31.93201 
1 1 1  -13   13   21 f   96.807   24.630   13.737   6.1912   11.464   8.7232   16.045   8.7887   89.225   30.928  102.619   30.687 -13.39378 43.56928 
1 1 1  -13   13   22 o   79.302   32.329   6.4228   10.472   9.0550   16.400   4.6110   13.606   93.082   39.395   82.239   35.375 10.84352 52.94679 
1 1 1  -13   13   23 o  149.484   17.793   30.949   6.7541   25.796   9.5947   36.011   9.5094  129.445   29.298  157.435   24.084 -27.98930 37.92665 
1 1 1  -13   13   24 o   58.197   24.091   2.3918   5.9307  -2.1423   8.3247   7.0647   8.4511   57.610   26.058   75.862   29.662 -18.25162 39.48216 
1 1 1  -13   13   25 o   40.647   19.461  -6.8993   5.8344 -12.7452   8.8144  -2.3408   7.7836   46.711   22.738   55.148   25.045 -8.436878 33.82663 
1 1 1  -13   13   26 o   43.889   20.536  -4.4343   5.8249   0.1168   8.6807  -8.1620   7.8562   61.660   27.338   47.502   22.699 14.15721 35.53310 
1 1 1  -13   13   27 o   50.183   22.473  -1.1163   6.0201  -0.4637   8.7281  -1.7084   8.3144   60.508   27.081   57.318   25.973 3.190392 37.52293 
1 1 1  -13   13   28 o   76.742   28.176   8.7158   7.3433   4.1680   11.215   12.129   9.7157   73.047   31.766   86.915   32.318 -13.86729 45.31582 
1 1 1  -13   13   29 o   62.327   25.833   3.6896   6.8311   6.5152   9.2648   0.3236   10.112   73.159   30.184   64.306   28.936 8.853195 41.81310 
1 1 1  -13   13   30 o  215.271   15.704   64.810   8.6964   64.011   12.522   65.554   12.087  204.165   24.146  208.396   22.761 -4.231293 33.18221 
1 1 1  -13   13   31 o   78.323   30.170   9.9843   8.6426   14.898   9.9644  -4.9380   17.365   90.076   32.859   70.215   33.606 19.86079 47.00066 
1 1 1  -13   13   32 o  125.249   30.155   27.825   9.6660   31.930   19.385   26.466   11.151  107.442   43.915  115.861   34.549 -8.418274 55.87610 
1 1 1  -13   13   33 o   66.660   27.074   6.3731   7.3089   19.547   11.212  -3.3631   9.6383   96.049   34.883   55.484   26.106 40.56466 43.56999 
1 1 1  -13   13   34 o   42.212   20.522  -8.3222   7.1191 -10.8108   9.4872  -5.1149   10.770   47.372   23.174   55.547   26.553 -8.174671 35.24313 
1 1 1  -13   13   35 o   59.484   26.473   2.8642   8.2157   10.077   11.596  -4.4056   11.642   74.272   32.300   57.200   27.413 17.07188 42.36481 
1 1 1  -13   13   36 o   60.368   26.792   3.7259   8.3581 -11.3058   11.745   19.147   11.896   51.293   25.232   88.246   34.978 -36.95243 43.12933 
1 1 1  -13   13   37 o   40.611   19.993 -10.0246   7.4241   0.5661   11.057 -18.7201   10.019   59.114   27.858   42.152   21.145 16.96268 34.97421 
1 1 1  -13   13   38 o   75.279   31.669   13.664   10.496   11.730   13.446   16.680   16.793   71.071   32.521   75.034   35.030 -3.962891 47.79918 
1 1 1  -13   13   39 o   75.177   31.669   15.102   10.519   3.1320   20.771   19.231   12.199   63.790   31.758   79.372   33.800 -15.58188 46.37941 
1 1 1  -13   14    1 o  297.327   10.645  115.380   8.1981  103.300   20.591  117.655   8.9369  273.088   29.582  300.053   11.498 -26.96533 31.73833 
1 1 1  -13   14    2 o   77.353   23.838   8.0864   5.2490   40.300   17.015   4.6981   5.5182  164.529   40.254   65.790   24.377 98.73907 47.05959 
1 1 1  -13   14    3 o  134.198   17.016   24.148   5.7822   10.730   17.232   25.850   6.1381  104.830   41.922  138.794   17.459 -33.96420 45.41214 
1 1 1  -13   14    4 o  150.546   15.836   30.184   6.0830   43.950   20.185   28.809   6.3796  169.253   45.192  146.701   17.110 22.55136 48.32198 
1 1 1  -13   14    5 o  319.402   11.068  133.299   9.1571  117.100   23.186  136.293   9.9673  289.180   31.462  322.741   11.923 -33.56186 33.64487 
1 1 1  -13   14    6 o  197.729   13.950   51.611   7.0988   61.530   21.621   50.413   7.5154  201.931   42.671  195.126   14.984 6.805130 45.22535 
1 1 1  -13   14    7 o  204.848   19.334   56.357   10.137   62.040   20.035   54.401   11.753  204.670   39.218  199.711   23.149 4.958649 45.54019 
1 1 1  -13   14    8 o  200.082   13.760   52.868   7.0883   44.040   19.958   54.142   7.5826  168.203   44.948  202.256   14.571 -34.05313 47.25073 
1 1 1  -13   14    9 f  113.595   22.092   17.917   6.2666   28.610   19.995   16.753   6.5990  137.092   46.857  109.215   23.983 27.87676 52.63779 
1 1 1  -13   14   10 o  199.206   14.291   52.553   7.3250   79.200   22.230   49.308   7.7583  230.996   38.508  192.486   15.697 38.51021 41.58393 
1 1 1  -13   14   11 o  103.566   36.946   14.498   12.512   20.020   20.440   11.190   15.822  121.486   46.496  101.556   40.312 19.93046 61.53836 
1 1 1  -13   14   12 o   49.486   22.199  -2.2224   5.9010   36.030   20.353  -5.7331   6.1658  149.559   47.081   44.926   21.055 104.6322 51.57494 
1 1 1  -13   14   13 o  119.015   22.685   19.822   6.7381   0.0136   20.075   22.336   7.1531   93.459   41.498  126.526   22.658 -33.06713 47.28056 
1 1 1  -13   14   14 o  187.584   15.142   46.932   7.2947   36.240   20.599   48.465   7.8001  148.336   47.439  190.336   15.968 -41.99954 50.05409 
1 1 1  -13   14   15 o  113.244   25.100   18.351   7.1693   17.330   19.642   18.508   7.7005  114.213   45.049  113.163   26.701 1.049255 52.36738 
1 1 1  -13   14   16 o  107.770   24.161   16.612   6.5781   18.480   9.8365   15.100   8.8475  111.174   32.262  101.418   30.895 9.756126 44.66901 
1 1 1  -13   14   17 o   84.197   24.009   10.120   5.4920   8.6776   7.8326   11.515   7.7028   81.465   29.214   89.789   29.040 -8.323914 41.19193 
1 1 1  -13   14   18 o   34.164   16.831 -10.7509   5.2927 -19.2091   7.0801  -0.0369   7.9685   35.637   17.863   61.285   26.712 -25.64796 32.13428 
1 1 1  -13   14   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   14   20 o  173.854   15.422   40.880   6.8732   31.208   9.7682   50.364   9.6728  145.585   26.893  190.555   19.890 -44.97018 33.44929 
1 1 1  -13   14   21 o   71.610   27.773   5.8835   7.3623  -0.0570   8.5410   23.060   14.523   62.296   27.390  116.838   39.935 -54.54237 48.42494 
1 1 1  -13   14   22 o   86.095   29.564   10.963   7.9617   54.770   19.227   1.8969   8.7468  175.763   42.662   66.019   28.379 109.7437 51.23880 
1 1 1  -13   14   23 o   73.537   26.241   7.4687   6.3123   14.344   9.0322   0.9050   8.8252   95.428   31.480   64.082   28.016 31.34630 42.14132 
1 1 1  -13   14   24 o   98.926   25.773   14.983   6.6705   16.445   9.5556   13.594   9.3161  100.422   32.331   92.639   31.971 7.782547 45.46853 
1 1 1  -13   14   25 o   44.628   20.850  -4.3463   5.9661  -5.0308   8.4953  -3.6801   8.3806   53.522   24.963   54.921   25.330 -1.399521 35.56316 
1 1 1  -13   14   26 o   71.852   26.454   7.2062   6.4796   4.1661   9.4681   9.8844   8.8866   70.206   29.834   81.609   30.795 -11.40345 42.87633 
1 1 1  -13   14   27 o  106.582   26.949   18.075   7.4446   18.740   11.180   17.545   9.9784  102.572   35.038  100.715   33.081 1.857376 48.18753 
1 1 1  -13   14   28 o   97.508   28.938   15.796   7.8372   19.220   10.358   11.210   11.986  103.649   33.688   85.035   34.618 18.61450 48.30451 
1 1 1  -13   14   29 o   94.212   27.650   14.721   7.1889   7.6422   9.9830   22.346   10.361   75.487   31.253  110.844   33.358 -35.35742 45.71138 
1 1 1  -13   14   30 f   86.225   27.485   12.495   6.9191   3.1412   9.5311   22.916   10.060   65.834   28.940  111.587   32.698 -45.75307 43.66554 
1 1 1  -13   14   31 o   60.073   28.681  -5.9834   12.485   27.990   19.698 -28.8000   16.142  101.991   43.171   53.570   26.868 48.42024 50.84899 
1 1 1  -13   14   32 o   48.690   22.902  -3.8699   7.4070  -3.1419   10.897  -4.4952   10.099   58.637   27.640   55.425   26.271 3.211720 38.13342 
1 1 1  -13   14   33 o  100.648   35.889   22.895   11.805   0.0000   0.0000   22.895   11.805  ?   ?   100.648   35.889 0.000000 35.88895 
1 1 1  -13   14   34 o  120.430   28.666   26.613   8.8133   32.163   12.656   21.388   12.280  117.545   37.141   94.142   36.037 23.40309 51.75074 
1 1 1  -13   14   35 o   57.222   25.744   2.1381   8.0001   3.2701   11.478   1.0687   11.156   63.923   29.538   61.008   28.505 2.915253 41.04948 
1 1 1  -13   14   36 o   60.293   26.349   4.5971   7.7993   6.4115   11.640   3.1189   10.507   66.589   30.389   61.472   28.355 5.117031 41.56305 
1 1 1  -13   14   37 o   62.471   27.820   5.8104   9.0890   8.5420   13.791   3.7126   12.085   68.156   31.794   62.341   29.300 5.814793 43.23619 
1 1 1  -13   14   38 o   88.950   32.640   20.471   9.8526   24.728   12.406   13.200   16.213   89.422   35.633   69.916   33.182 19.50582 48.69037 
1 1 1  -13   15    1 o  167.132   14.029   36.980   6.0173   45.050   17.150   35.847   6.4258  173.631   39.075  164.203   15.283 9.428009 41.95789 
1 1 1  -13   15    2 o  189.766   13.203   47.499   6.4494   62.690   19.083   45.540   6.8526  206.950   36.955  185.481   14.375 21.46860 39.65206 
1 1 1  -13   15    3 o  152.044   15.812   30.844   6.1364   12.840   17.316   33.430   6.5623  107.435   42.322  158.228   16.241 -50.79310 45.33162 
1 1 1  -13   15    4 o  106.122   21.969   15.663   5.8401   6.3720   18.589   16.681   6.1516   99.797   42.073  109.454   22.450 -9.656891 47.68827 
1 1 1  -13   15    5 o   71.599   24.841   6.4335   5.6278 -43.4200   18.440   11.554   5.9097   59.450   29.650   90.667   24.557 -31.21697 38.49886 
1 1 1  -13   15    6 o  337.064   11.449  148.778   9.9963  116.100   24.488  155.312   10.950  284.469   33.901  344.100   12.285 -59.63147 36.05864 
1 1 1  -13   15    7 o  370.385   11.036  179.559   10.588  171.800   26.274  181.064   11.568  350.480   29.207  371.570   12.019 -21.08990 31.58359 
1 1 1  -13   15    8 o  229.286   13.052   69.342   7.7197   63.150   21.478   70.261   8.2725  202.591   42.294  230.520   13.919 -27.92957 44.52584 
1 1 1  -13   15    9 o  203.242   14.099   54.731   7.3768   64.490   21.991   53.494   7.8305  203.784   43.012  200.561   15.185 3.222733 45.61364 
1 1 1  -13   15   10 o  183.747   29.752   48.317   13.677   49.720   22.288   47.470   17.321  174.212   47.900  176.435   38.943 -2.223145 61.73345 
1 1 1  -13   15   11 o  241.087   15.304   77.325   9.5079   88.900   24.258   75.223   10.335  241.475   40.195  237.073   16.941 4.402008 43.61898 
1 1 1  -13   15   12 o  163.680   17.194   36.119   7.1808   29.620   21.099   36.971   7.6366  135.865   48.030  165.258   18.138 -29.39276 51.34064 
1 1 1  -13   15   13 o  138.679   19.408   26.365   6.7808   38.180   20.402   24.898   7.1894  151.289   47.060  133.905   21.452 17.38448 51.71846 
1 1 1  -13   15   14 o  101.116   25.745   14.770   6.7610   0.0000   0.0000   14.770   6.7610  ?   ?   101.116   25.745 0.000000 25.74514 
1 1 1  -13   15   15 o  114.119   28.281   19.168   8.3177   0.0000   0.0000   19.168   8.3177  ?   ?   114.119   28.281 0.000000 28.28131 
1 1 1  -13   15   16 o  194.090   17.531   51.095   8.7188   23.580   19.100   58.338   9.7994  121.655   45.297  206.985   18.471 -85.32940 48.91859 
1 1 1  -13   15   17 o   48.667   21.377  -0.7213   5.1914   1.0684   6.8206  -3.1860   8.0041   59.282   25.260   55.993   25.416 3.288872 35.83359 
1 1 1  -13   15   18 o  147.140   17.157   29.610   6.4163   27.941   9.0874   31.269   9.0607  138.176   26.352  147.397   24.598 -9.221695 36.04830 
1 1 1  -13   15   19 o  105.130   23.704   16.127   6.3008   22.959   9.1423   9.9465   8.6957  122.881   29.161   84.722   30.728 38.15894 42.36216 
1 1 1  -13   15   20 o  232.638   18.743   74.790   11.199   0.0000   0.0000   74.790   11.199  ?   ?   232.638   18.743 0.000000 18.74344 
1 1 1  -13   15   21 o  113.098   37.003   21.558   12.489   30.710   19.391   15.070   16.326  126.629   45.893  100.331   40.563 26.29781 61.24920 
1 1 1  -13   15   22 o  260.266   12.711   90.621   8.5693   92.031   12.377   89.322   11.877  257.008   18.720  253.672   18.195 3.336288 26.10553 
1 1 1  -13   15   23 o  173.994   16.330   41.789   7.2738   41.437   10.585   42.104   10.013  166.453   25.350  169.390   23.448 -2.937698 34.53185 
1 1 1  -13   15   24 o   46.098   21.247  -3.1507   5.8827  -5.0801   8.8410  -1.6178   7.8803   54.540   25.447   56.210   25.395 -1.669510 35.95089 
1 1 1  -13   15   25 o  107.848   23.794   17.662   6.4687   20.444   9.6591   15.399   8.7104  110.052   31.979   96.525   30.846 13.52729 44.43138 
1 1 1  -13   15   26 o  158.591   25.350   38.561   10.063   0.0000   0.0000   38.561   10.063  ?   ?   158.591   25.350 0.000000 25.35040 
1 1 1  -13   15   27 o  108.893   29.227   19.763   8.4163   17.300   11.782   22.330   12.026   97.292   35.694  108.829   36.344 -11.53706 50.94092 
1 1 1  -13   15   28 o   70.506   26.570   7.2227   6.6101   10.697   9.5596   4.0399   9.1499   81.482   31.634   67.411   29.003 14.07129 42.91722 
1 1 1  -13   15   29 o   79.543   28.103   10.461   7.2227   10.283   10.229   10.637   10.200   79.783   32.160   80.491   32.230 -0.7083282 45.53009 
1 1 1  -13   15   30 o   78.773   28.577   10.565   7.5214   0.4793   10.041   23.458   11.353   62.016   28.272  107.573   35.283 -45.55770 45.21322 
1 1 1  -13   15   31 o   85.305   32.148   14.048   9.6771   23.600   19.455   10.908   11.155   93.791   41.286   78.479   32.809 15.31223 52.73459 
1 1 1  -13   15   32 o   49.497   23.225  -3.1946   7.5402  -1.8513   10.723  -4.5085   10.605   58.818   27.630   55.829   26.593 2.989666 38.34890 
1 1 1  -13   15   33 o   59.019   26.214   2.7893   8.0170   1.8897   11.316   3.6957   11.359   63.093   29.216   65.307   29.887 -2.213627 41.79434 
1 1 1  -13   15   34 o   80.507   29.551   13.002   8.0768   2.2952   11.718   22.694   11.148   63.091   29.390   97.872   34.879 -34.78039 45.61034 
1 1 1  -13   15   35 o  105.699   28.462   21.623   7.9660   13.952   11.585   28.503   10.971   77.519   32.973  111.079   34.503 -33.56017 47.72462 
1 1 1  -13   15   36 o   50.005   23.588  -1.8904   7.9602  -9.6904   11.370   5.6069   11.148   50.209   24.723   63.886   29.372 -13.67769 38.39223 
1 1 1  -13   15   37 o   59.430   27.555   3.9048   10.113   2.0417   13.247   6.5080   15.659   60.301   28.989   65.090   31.349 -4.788982 42.69800 
1 1 1  -13   15   38 o   57.464   28.251  -0.8141   14.654 -24.0200   22.333   16.730   19.419   54.519   27.798   68.900   33.585 -14.38150 43.59656 
1 1 1  -13   16    1 o   75.381   23.386   7.7452   5.0421   18.530   17.446   6.7623   5.2668  116.463   43.306   71.939   24.051 44.52392 49.53682 
1 1 1  -13   16    2 o  271.352   11.439   96.484   8.0401   99.360   20.277   95.947   8.7580  265.167   30.052  270.289   12.509 -5.121796 32.55103 
1 1 1  -13   16    3 o  114.964   21.026   18.294   6.0305   17.830   19.115   18.345   6.3551  116.642   44.886  114.753   22.183 1.888763 50.06822 
1 1 1  -13   16    4 o  213.411   13.533   60.207   7.4425   56.920   19.704   60.754   8.0380  192.912   40.711  214.035   14.585 -21.12224 43.24490 
1 1 1  -13   16    5 o  282.921   12.000  105.065   8.7938  103.600   22.642  105.326   9.5430  267.827   33.360  282.938   13.021 -15.11139 35.81117 
1 1 1  -13   16    6 o  194.218   14.889   50.160   7.4331   90.320   22.949   45.453   7.8567  246.745   37.051  184.225   16.644 62.52094 40.61765 
1 1 1  -13   16    7 o  258.101   12.870   87.675   8.6046   84.800   23.969   88.100   9.2191  235.592   40.752  258.056   13.842 -22.46429 43.03920 
1 1 1  -13   16    8 o  313.431   15.288  130.225   12.412  132.000   24.881  129.637   14.321  302.653   32.233  310.967   17.854 -8.313995 36.84785 
1 1 1  -13   16    9 o  134.697   36.857   27.747   13.233   33.890   21.291   23.880   16.892  143.544   48.355  124.777   43.051 18.76723 64.74272 
1 1 1  -13   16   10 o  258.507   14.681   88.819   9.7899  112.700   23.835   83.973   10.737  277.048   33.922  250.421   16.648 26.62688 37.78720 
1 1 1  -13   16   11 o   83.239   25.323   9.7601   5.9469   21.960   20.687   8.6611   6.2090  121.869   46.744   79.545   26.094 42.32324 53.53424 
1 1 1  -13   16   12 o  270.771   13.300   96.924   9.3286   22.770   23.947  110.191   10.129  124.163   49.497  288.598   13.549 -164.4340 51.31750 
1 1 1  -13   16   13 f  380.567   14.743  192.594   14.533   0.0000   0.0000  192.594   14.533  ?   ?   380.567   14.743 0.000000 14.74277 
1 1 1  -13   16   14 o  132.286   22.530   24.690   7.4435   34.200   19.666   23.100   8.0418  141.004   46.448  126.519   25.421 14.48476 52.94938 
1 1 1  -13   16   15 o   68.797   25.968   5.4405   6.3203 -11.6000   19.207   7.5098   6.6930   78.149   36.795   75.796   27.024 2.352821 45.65253 
1 1 1  -13   16   16 o  137.019   20.414   26.250   7.0240   24.880   18.798   26.472   7.5725  121.831   45.022  136.764   22.132 -14.93285 50.16751 
1 1 1  -13   16   17 o   90.810   26.455   12.196   6.6027   55.050   17.970   5.5072   7.0994  183.421   39.021   70.368   27.277 113.0532 47.61015 
1 1 1  -13   16   18 o   76.521   28.280   7.6621   7.4169   7.1330   18.163   7.7680   8.1252   92.698   40.369   77.950   29.438 14.74712 49.96239 
1 1 1  -13   16   19 o  124.108   20.841   21.967   6.4625   29.462   9.2952   14.955   8.9910  140.511   26.511   97.948   31.343 42.56328 41.05099 
1 1 1  -13   16   20 o   78.392   32.577   6.1669   10.904   6.7750   17.884   5.8070   13.758   89.879   39.573   82.690   35.570 7.188385 53.20966 
1 1 1  -13   16   21 f  127.057   20.828   23.239   6.6171   25.208   9.6977   21.523   9.0517  125.967   30.127  116.319   29.883 9.647797 42.43364 
1 1 1  -13   16   22 o   63.171   25.117   4.2524   6.1518   2.1099   8.7879   6.3113   8.6147   65.414   28.283   73.476   29.549 -8.062302 40.90313 
1 1 1  -13   16   23 o  115.621   23.756   20.145   6.8768   27.544   10.144   13.852   9.3545  130.010   30.626   92.161   32.023 37.84878 44.31072 
1 1 1  -13   16   24 o  187.044   15.932   48.511   7.6455   51.536   11.234   45.901   10.435  185.567   23.929  175.383   23.565 10.18346 33.58469 
1 1 1  -13   16   25 o  109.176   24.551   18.450   6.7744   14.670   9.3843   22.564   9.7895   92.957   32.087  114.772   31.821 -21.81591 45.19018 
1 1 1  -13   16   26 o  120.669   27.841   23.681   8.5252   19.320   12.023   28.090   12.090  101.336   36.210  122.918   35.795 -21.58257 50.91619 
1 1 1  -13   16   27 o  124.669   23.568   24.036   7.3319   26.588   10.676   21.758   10.087  121.460   33.052  109.458   32.908 12.00121 46.64071 
1 1 1  -13   16   28 o   62.411   26.012   4.1114   6.9818   9.5710   9.8851  -1.3231   9.8623   77.970   31.549   59.967   27.591 18.00248 41.91199 
1 1 1  -13   16   29 o  111.010   27.444   20.999   7.8466   15.784   11.329   25.808   10.878   89.433   34.516  115.001   34.085 -25.56773 48.50950 
1 1 1  -13   16   30 o   77.998   33.621   10.474   12.342   19.550   17.098   0.5991   17.834   90.106   39.204   71.850   34.297 18.25638 52.08840 
1 1 1  -13   16   31 o   68.004   27.993   7.0813   7.9463   0.0115   11.386   13.795   11.095   61.966   28.901   82.121   33.355 -20.15504 44.13434 
1 1 1  -13   16   32 o   52.221   24.162  -1.1139   7.7163   0.8159   11.032  -2.9623   10.797   61.337   28.554   56.903   27.027 4.434204 39.31672 
1 1 1  -13   16   33 f   60.474   26.316   4.3536   7.7066   3.0729   11.300   5.4674   10.538   63.337   29.282   65.578   29.521 -2.240971 41.57980 
1 1 1  -13   16   34 o   68.166   27.909   8.4548   7.8459   13.231   11.061   3.6183   11.131   76.521   32.368   62.761   29.032 13.76043 43.47987 
1 1 1  -13   16   35 o   49.433   22.923  -0.5966   7.0033  -3.8223   10.517   1.9737   9.3876   53.198   25.639   57.514   26.625 -4.316532 36.96232 
1 1 1  -13   16   36 o   89.065   34.380   22.285   11.241   16.920   15.587   28.100   16.227   74.178   34.328   85.807   37.740 -11.62885 51.01628 
1 1 1  -13   16   37 o   40.315   19.878  -8.7091   7.4319   7.0710   10.040 -27.8360   11.054   61.842   28.223   38.948   19.831 22.89417 34.49342 
1 1 1  -13   17    1 o  357.878   13.281  168.825   12.312  182.500   24.032  163.959   14.336  362.736   25.745  351.439   15.748 11.29630 30.17920 
1 1 1  -13   17    2 o  162.006   15.288   35.082   6.3397   20.480   19.411   36.825   6.7076  120.009   45.458  165.841   15.806 -45.83175 48.12697 
1 1 1  -13   17    3 o   89.816   24.318   11.456   5.7964   11.320   18.196   11.471   6.1150  104.176   42.560   89.834   25.236 14.34138 49.47946 
1 1 1  -13   17    4 o  202.718   13.500   54.455   7.0485   93.530   21.578   49.788   7.4576  252.742   33.808  193.277   15.014 59.46507 36.99136 
1 1 1  -13   17    5 o  107.589   22.326   16.290   6.0182 -29.0600   19.557   21.033   6.3252   68.688   33.530  123.294   20.527 -54.60606 39.31458 
1 1 1  -13   17    6 f  142.079   18.597   27.520   6.6798   9.2360   21.457   29.482   7.0291  105.425   44.859  147.014   18.896 -41.58923 48.67608 
1 1 1  -13   17    7 o  399.720   14.114  211.483   14.613  206.700   28.466  213.194   17.028  381.344   29.036  399.801   16.443 -18.45755 33.36875 
1 1 1  -13   17    8 o  231.990   15.700   71.953   9.3790   93.670   23.336   67.769   10.243  248.434   37.425  224.126   17.789 24.30762 41.43739 
1 1 1  -13   17    9 o  216.915   14.586   62.720   8.1479   43.170   21.003   66.183   8.8403  159.183   47.403  222.474   15.436 -63.29126 49.85289 
1 1 1  -13   17   10 o  158.586   17.250   34.102   6.9718  -0.5656   21.058   38.369   7.3885   92.674   41.724  168.340   17.185 -75.66638 45.12402 
1 1 1  -13   17   11 o  196.742   17.995   52.568   9.0690   0.0000   0.0000   52.568   9.0690  ?   ?   196.742   17.995 0.000000 17.99485 
1 1 1  -13   17   12 o  160.981   18.823   35.546   7.7010   43.330   21.433   34.392   8.2521  156.321   48.169  157.397   20.746 -1.076172 52.44646 
1 1 1  -13   17   13 o   75.916   26.289   7.7570   6.3017   2.1900   18.352   8.5012   6.7097   89.432   39.695   78.866   27.137 10.56546 48.08429 
1 1 1  -13   17   14 o  204.611   15.126   56.328   7.9600   95.820   22.246   50.529   8.5244  248.633   35.554  192.650   17.265 55.98251 39.52438 
1 1 1  -13   17   15 o  275.695   12.877  101.004   9.1958   93.840   23.382  102.315   10.002  241.234   38.729  276.516   14.010 -35.28192 41.18504 
1 1 1  -13   17   16 o  242.470   13.942   78.859   8.7198   59.680   21.964   82.447   9.5006  181.040   46.571  247.344   14.898 -66.30414 48.89605 
1 1 1  -13   17   17 o  102.846   25.691   15.855   6.8241   28.540   19.147   14.009   7.3038  124.165   45.510   95.955   27.787 28.21000 53.32259 
1 1 1  -13   17   18 o   67.235   25.429   5.5123   6.0686  -0.7216   15.451   6.6494   6.5989   77.661   35.275   71.639   26.635 6.022614 44.20127 
1 1 1  -13   17   19 f   96.407   30.498   14.715   8.5314   10.180   18.437   15.950   9.6237   93.862   40.774   99.405   32.480 -5.542694 52.12909 
1 1 1  -13   17   20 o  137.947   24.702   28.469   8.5025   33.650   19.654   27.276   9.4306  127.544   46.206  132.165   28.394 -4.620544 54.23287 
1 1 1  -13   17   21 o  132.460   20.328   25.316   6.7519   10.910   9.6761   38.988   9.4262   85.056   32.124  162.703   23.008 -77.64713 39.51356 
1 1 1  -13   17   22 o  175.715   16.441   42.967   7.3964   39.415   10.927   45.970   10.049  158.988   27.529  176.769   22.452 -17.78043 35.52379 
1 1 1  -13   17   23 o  120.782   22.774   21.909   6.8637   13.625   10.021   29.230   9.4201   90.430   32.958  135.702   27.736 -45.27158 43.07547 
1 1 1  -13   17   24 o   47.841   21.964  -2.5886   6.2030  -5.7349   8.9698   0.2951   8.5873   53.326   25.119   60.455   26.973 -7.129101 36.85826 
1 1 1  -13   17   25 o   81.175   30.142   10.589   8.4458   12.390   11.970   8.8030   11.918   86.369   34.798   79.943   33.695 6.426865 48.43810 
1 1 1  -13   17   26 o   43.865   20.891  -5.9694   6.5382  -9.8947   9.3199  -2.1655   9.1747   49.435   23.902   57.548   26.528 -8.113148 35.70712 
1 1 1  -13   17   27 o   63.334   26.475   4.3417   7.2624  -2.4161   10.496   10.550   10.060   59.933   27.884   79.792   31.987 -19.85837 42.43455 
1 1 1  -13   17   28 o   51.194   23.381  -1.2636   6.9065   10.881   9.9629 -12.4995   9.5828   79.206   31.804   47.173   23.121 32.03298 39.32062 
1 1 1  -13   17   29 o   65.781   28.514   4.9406   8.9776   9.4659   10.479  -7.5460   17.407   75.274   31.654   65.523   31.907 9.751526 44.94521 
1 1 1  -13   17   30 o   91.980   33.084   17.855   10.053   13.940   21.295   18.978   11.403   81.180   38.381   92.084   34.851 -10.90393 51.84244 
1 1 1  -13   17   31 o   60.616   26.353   4.1030   7.7138   5.2067   11.193   3.1045   10.646   66.717   30.192   63.342   28.967 3.374363 41.84104 
1 1 1  -13   17   32 o  182.702   19.094   51.642   8.9026   66.359   13.453   40.175   11.875  190.951   28.033  139.051   33.389 51.89990 43.59700 
1 1 1  -13   17   33 o   54.576   25.046   0.9337   8.0553  -1.5013   11.622   3.1847   11.175   57.874   27.643   62.095   28.850 -4.220375 39.95587 
1 1 1  -13   17   34 o   60.488   26.516   5.2005   7.9529   3.2748   11.364   7.0488   11.134   61.265   28.672   65.545   29.838 -4.280090 41.38130 
1 1 1  -13   17   35 o   77.667   30.995   14.835   9.3993   13.080   14.899   15.996   12.114   70.640   32.984   75.849   33.000 -5.209084 46.65809 
1 1 1  -13   17   36 o   54.830   25.215   2.9279   8.2222   1.7099   9.9138   5.6120   14.717   55.346   26.173   62.103   30.029 -6.756828 39.83406 
1 1 1  -13   18    1 o  101.930   27.162   15.105   7.3011   13.086   11.378   16.518   9.5193   97.598   35.188  105.645   32.016 -8.047218 47.57278 
1 1 1  -13   18    2 o  178.231   21.010   43.728   9.5135   15.670   19.424   52.583   10.912  110.807   44.438  195.117   21.973 -84.30934 49.57378 
1 1 1  -13   18    3 o  242.460   12.542   77.727   7.8502  109.600   21.562   72.857   8.4286  274.967   30.803  234.148   13.960 40.81917 33.81852 
1 1 1  -13   18    4 o   73.728   25.194   7.1903   5.7803   18.280   20.055   6.1856   6.0364  114.995   45.468   70.873   25.618 44.12215 52.18786 
1 1 1  -13   18    5 o   79.358   30.374   7.2133   8.7229  -1.7500   20.753   9.1365   9.6133   91.114   41.184   85.651   32.088 5.462975 52.20835 
1 1 1  -13   18    6 o  184.617   30.782   50.116   14.202   58.970   22.897   44.580   18.106  186.024   47.387  165.431   42.136 20.59230 63.41122 
1 1 1  -13   18    7 o  110.577   25.036   17.664   7.0044   25.280   21.617   16.770   7.4038  125.581   47.874  107.087   26.765 18.49464 54.84822 
1 1 1  -13   18    8 o  174.241   16.937   41.119   7.5479   36.550   22.930   41.675   7.9933  143.210   50.116  174.991   17.886 -31.78087 53.21193 
1 1 1  -13   18    9 o  146.001   23.823   30.288   8.6987   0.0000   0.0000   30.288   8.6987  ?   ?   146.001   23.823 0.000000 23.82272 
1 1 1  -13   18   10 o  195.503   16.965   51.824   8.5064   27.760   21.915   56.092   9.2301  127.568   48.305  203.038   17.728 -75.47044 51.45559 
1 1 1  -13   18   11 o   59.698   24.623   2.3181   6.1631  -9.5800   18.281   3.8439   6.5464   77.416   36.274   64.812   25.866 12.60392 44.55133 
1 1 1  -13   18   12 o  144.525   18.376   28.821   6.7237   0.1910   18.791   33.025   7.2004   87.131   39.303  154.868   18.303 -67.73775 43.35616 
1 1 1  -13   18   13 o  190.906   15.794   49.384   7.7402   38.730   20.186   51.221   8.3808  144.651   47.029  193.858   16.858 -49.20665 49.95948 
1 1 1  -13   18   14 o  218.309   14.668   64.238   8.2464   59.400   21.079   65.112   8.9606  182.400   44.913  219.054   15.900 -36.65353 47.64426 
1 1 1  -13   18   15 o  120.276   23.305   21.090   6.9986   5.4810   19.898   23.294   7.4763   92.206   41.105  126.308   23.722 -34.10275 47.45919 
1 1 1  -13   18   16 f  123.277   22.968   22.177   7.0645 -18.1700   19.323   28.403   7.5900   70.915   34.318  140.780   21.495 -69.86583 40.49402 
1 1 1  -13   18   17 o  102.524   26.360   16.092   7.0393   55.470   19.905   10.464   7.5256  172.045   44.375   83.674   28.743 88.37032 52.87038 
1 1 1  -13   18   18 o  185.579   17.315   47.846   8.2274   41.700   20.475   49.030   8.9847  141.101   47.420  186.748   18.831 -45.64688 51.02191 
1 1 1  -13   18   19 o  138.246   32.940   31.807   11.628   58.850   18.751   14.910   14.822  178.873   41.305   95.990   38.705 82.88299 56.60489 
1 1 1  -13   18   20 o  102.035   26.327   16.322   7.0046   27.320   15.928   13.685   7.7993  117.410   41.707   92.151   29.160 25.25812 50.89016 
1 1 1  -13   18   21 o  111.728   28.412   20.200   8.2415   35.790   17.967   16.046   9.2748  129.222   44.410   97.324   31.890 31.89747 54.67362 
1 1 1  -13   18   22 o   91.332   29.657   13.821   8.0284   23.550   19.283   11.781   8.8301  105.557   43.547   85.259   30.958 20.29835 53.43002 
1 1 1  -13   18   23 o   83.692   27.529   11.316   6.9094   8.9684   10.140   13.350   9.4404   78.863   31.938   88.596   32.035 -9.733704 45.23526 
1 1 1  -13   18   24 o   84.179   30.185   11.866   8.3619   9.4750   11.681   14.380   11.975   80.365   33.584   89.622   35.230 -9.256851 48.67267 
1 1 1  -13   18   25 o   56.888   24.360   2.2022   6.4001   10.494   9.2626  -5.3730   8.8535   79.973   31.113   52.466   24.788 27.50669 39.78026 
1 1 1  -13   18   26 o   88.271   27.142   13.260   6.8091   13.398   9.3871   13.107   9.8918   85.863   31.798   84.941   32.384 0.9216843 45.38573 
1 1 1  -13   18   27 o   43.922   20.929  -5.4907   6.5798 -11.0741   9.4959  -0.3344   9.1255   47.922   23.387   58.421   26.755 -10.49955 35.53518 
1 1 1  -13   18   28 o   52.234   23.918  -0.9006   7.2896  -1.1215   10.555  -0.6992   10.080   59.672   27.829   59.220   27.475 0.4529877 39.10727 
1 1 1  -13   18   29 o   51.345   25.200 -11.8243   11.507  -9.8110   20.353 -12.7700   13.950   65.847   32.547   55.625   27.389 10.22205 42.53760 
1 1 1  -13   18   30 o   55.534   24.855   1.7734   7.3533   13.624   11.370  -6.7468   9.6409   79.264   33.129   50.432   24.366 28.83230 41.12474 
1 1 1  -13   18   31 o   46.198   22.119  -4.8988   7.5374 -10.8238   10.839   0.6497   10.489   49.343   24.266   58.949   27.575 -9.606220 36.73151 
1 1 1  -13   18   32 o   83.961   30.394   15.379   8.5019   4.7198   12.184   25.493   11.869   64.421   29.996   98.439   35.869 -34.01766 46.75872 
1 1 1  -13   18   33 o   48.544   23.030  -2.6075   7.7961  -9.6425   11.106   4.2272   10.947   49.493   24.383   61.677   28.622 -12.18362 37.59937 
1 1 1  -13   18   34 o   48.954   23.363  -2.5779   8.2676   2.7963   12.082  -7.3109   11.338   59.849   28.474   50.693   24.908 9.156040 37.83050 
1 1 1  -13   18   35 o   46.907   22.955  -6.2140   9.3354 -18.9717   12.026   13.130   14.809   44.467   22.418   68.017   32.111 -23.54999 39.16236 
1 1 1  -13   18   36 o   47.121   22.736  -2.6426   8.3257   3.5995   12.917  -7.0796   10.890   57.634   27.932   47.941   23.716 9.693726 36.64208 
1 1 1  -13   19    1 o   84.206   28.702   9.8457   7.5020  -4.6931   11.597   20.309   9.8379   66.130   30.239  115.632   31.837 -49.50193 43.90871 
1 1 1  -13   19    2 o  140.052   23.115   27.756   8.0929   31.599   12.353   24.866   10.712  143.349   33.815  127.663   32.352 15.68584 46.79890 
1 1 1  -13   19    3 o  183.812   20.951   46.812   9.7971   46.360   20.437   46.947   11.163  163.589   46.199  182.127   24.267 -18.53804 52.18486 
1 1 1  -13   19    4 o  114.737   31.521   20.023   9.6563   40.840   20.850   14.339   10.895  151.754   47.633   98.992   34.551 52.76176 58.84468 
1 1 1  -13   19    5 o  159.019   19.090   34.810   7.7060   32.970   23.929   35.023   8.1397  135.521   50.653  158.950   20.228 -23.42905 54.54296 
1 1 1  -13   19    6 o  209.555   15.332   59.046   8.2648   0.0000   0.0000   59.046   8.2648  ?   ?   209.555   15.332 0.000000 15.33242 
1 1 1  -13   19    7 o  192.523   17.670   50.539   8.7135   0.0000   0.0000   50.539   8.7135  ?   ?   192.523   17.670 0.000000 17.66977 
1 1 1  -13   19    8 o  193.292   16.799   50.761   8.3272   59.880   21.213   49.099   9.0539  186.495   44.528  189.018   18.739 -2.523514 48.31038 
1 1 1  -13   19    9 o   73.687   26.503   7.1055   6.4510  -9.0780   19.446   9.1066   6.8383   79.662   37.354   80.515   27.403 -0.8526230 46.32711 
1 1 1  -13   19   10 o  298.011   12.335  117.847   9.5218   76.600   22.754  126.603   10.484  212.270   42.859  308.397   13.124 -96.12595 44.82307 
1 1 1  -13   19   11 o   76.942   26.497   8.2566   6.3973   28.790   18.553   5.4860   6.8152  126.337   44.998   69.369   26.772 56.96804 52.36014 
1 1 1  -13   19   12 o   84.290   25.889   10.496   6.1968   12.830   18.649   10.206   6.5701   99.928   42.136   83.337   26.806 16.59138 49.93989 
1 1 1  -13   19   13 o   46.552   21.513  -3.7641   6.0909   7.2780   18.405  -5.1222   6.4546   91.869   40.304   46.106   21.587 45.76300 45.72141 
1 1 1  -13   19   14 o   65.405   25.738   4.6350   6.3976  -0.2586   17.941   5.3479   6.8478   82.304   37.626   68.379   26.711 13.92521 46.14265 
1 1 1  -13   19   15 o  108.691   25.421   17.908   7.0295   15.300   19.166   18.314   7.5561  100.702   42.602  109.051   26.913 -8.349106 50.39138 
1 1 1  -13   19   16 o  186.577   17.349   48.401   8.2886   36.700   21.003   50.560   9.0207  130.987   47.717  189.779   18.589 -58.79266 51.21014 
1 1 1  -13   19   17 o   81.063   27.951   9.9560   7.1200   8.7690   18.587   10.160   7.7079   90.232   40.004   81.934   29.023 8.297859 49.42338 
1 1 1  -13   19   18 o   61.056   28.761  -6.6244   11.762   6.8890   17.972 -16.7500   15.557   86.584   38.798   61.942   30.164 24.64209 49.14398 
1 1 1  -13   19   19 o   48.628   22.439  -3.2025   6.5899 -14.6600   17.824  -1.3883   7.0925   67.425   32.708   53.428   24.119 13.99696 40.63914 
1 1 1  -13   19   20 o   73.496   26.996   7.9128   6.7422   18.280   18.418   6.3087   7.2450   98.526   41.727   69.728   27.405 28.79826 49.92179 
1 1 1  -13   19   21 o   68.424   26.823   6.1414   6.9240   6.0530   18.054   6.1566   7.4973   83.098   37.894   69.386   27.684 13.71230 46.92909 
1 1 1  -13   19   22 o   53.999   24.048  -0.0683   6.7916 -33.5400   18.850   4.9248   7.2806   58.222   29.178   65.666   26.885 -7.443573 39.67538 
1 1 1  -13   19   23 o   63.567   28.795   0.4839   10.210   0.0000   0.0000   0.4839   10.210  ?   ?    63.567   28.795 0.000000 28.79502 
1 1 1  -13   19   24 o   49.311   23.503  -6.4632   8.3089  -9.6920   17.476  -5.5202   9.4447   66.738   32.377   53.754   25.458 12.98380 41.18727 
1 1 1  -13   19   25 o  102.503   27.145   17.935   7.3213   27.731   10.494   8.6468   10.219  121.688   32.626   75.140   31.407 46.54810 45.28597 
1 1 1  -13   19   26 o   78.327   27.887   10.710   7.1253   13.114   9.9480   8.1767   10.210   82.980   32.255   73.150   31.029 9.830162 44.75695 
1 1 1  -13   19   27 o   91.271   28.477   15.380   7.4647   17.864   10.471   12.814   10.644   91.730   33.651   80.572   32.690 11.15807 46.91488 
1 1 1  -13   19   28 o   74.897   30.765   10.551   9.5728   8.7881   11.685   14.150   16.693   72.397   31.926   79.762   36.398 -7.364929 48.41552 
1 1 1  -13   19   29 o  141.508   22.800   32.999   8.0732   35.652   12.646   31.174   10.489  123.420   36.789  123.184   32.428 0.2357407 49.04049 
1 1 1  -13   19   30 o   46.924   22.343  -3.9299   7.4706  -5.7762   10.344  -1.9170   10.801   51.987   25.146   56.400   26.858 -4.412693 36.79232 
1 1 1  -13   19   31 o   55.552   25.477   1.6250   8.3154  -0.4641   11.793   3.6909   11.727   58.412   27.884   62.454   29.196 -4.042381 40.37254 
1 1 1  -13   19   32 o   56.055   25.397   2.8656   7.9463   1.5718   11.630   3.9985   10.883   59.154   28.083   60.966   28.374 -1.811749 39.92191 
1 1 1  -13   19   33 f   47.106   22.654  -3.7994   8.1077  -9.9586   11.591   2.1014   11.345   49.148   24.341   58.189   27.657 -9.041248 36.84321 
1 1 1  -13   19   34 o   69.091   30.402   12.511   10.541   13.500   14.405   11.370   15.467   68.057   31.987   65.982   31.616 2.074753 44.97493 
1 1 1  -13   19   35 o   74.673   29.387   14.753   8.3408   20.787   12.114   9.3144   11.501   76.567   33.155   62.293   29.051 14.27410 44.08216 
1 1 1  -13   20    1 o   73.065   30.820   3.4346   9.9838   0.0000   0.0000   3.4346   9.9838  ?   ?    73.065   30.820 0.000000 30.82034 
1 1 1  -13   20    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   20    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   20    4 o  109.712   24.513   17.619   6.7908   19.230   20.058   17.411   7.2169  111.758   45.038  108.350   26.038 3.407852 52.02320 
1 1 1  -13   20    5 o  169.498   17.836   39.475   7.7134   54.890   21.142   37.108   8.2845  174.740   46.057  163.094   20.031 11.64629 50.22483 
1 1 1  -13   20    6 o  275.738   12.296  100.929   8.7820   97.450   22.802  101.536   9.5162  247.211   36.724  275.987   13.311 -28.77638 39.06219 
1 1 1  -13   20    7 o  120.524   21.877   20.817   6.5783  -4.9910   20.563   23.759   6.9432   84.153   39.111  129.137   21.514 -44.98460 44.63784 
1 1 1  -13   20    8 o  132.801   20.314   24.916   6.7656   1.2140   19.233   28.263   7.2276   87.307   39.538  141.599   20.285 -54.29203 44.43778 
1 1 1  -13   20    9 o  121.332   22.614   21.326   6.8456   23.590   20.020   21.027   7.2847  115.593   45.516  119.486   24.363 -3.893021 51.62597 
1 1 1  -13   20   10 o  132.604   20.720   25.049   6.8841   20.630   19.732   25.662   7.3456  110.278   44.590  133.499   22.009 -23.22073 49.72652 
1 1 1  -13   20   11 o   62.728   25.035   3.9046   6.1326   16.530   17.798   2.2036   6.5327  102.717   42.042   59.702   25.043 43.01506 48.93599 
1 1 1  -13   20   12 o  116.321   23.971   20.118   6.9824   11.250   18.727   21.550   7.5250   95.403   41.268  119.808   25.053 -24.40477 48.27735 
1 1 1  -13   20   13 o   54.340   23.351   0.9233   5.9178   19.080   17.091  -1.5500   6.3080  104.674   41.788   50.861   22.873 53.81271 47.63811 
1 1 1  -13   20   14 o  100.533   25.317   15.510   6.5890   18.720   18.592   15.048   7.0463  103.345   42.708   98.156   26.910 5.188797 50.47916 
1 1 1  -13   20   15 o  109.449   25.437   18.453   7.0743 -19.9800   18.347   25.165   7.6672   65.966   32.260  129.629   23.708 -63.66241 40.03484 
1 1 1  -13   20   16 o   50.326   23.313  -3.7507   7.2162 -17.1100   18.875  -1.4637   7.8095   68.165   33.201   55.880   25.260 12.28518 41.71775 
1 1 1  -13   20   17 o  113.255   36.090   23.493   11.930   31.930   18.876   17.880   15.395  120.062   44.966   98.693   39.569 21.36966 59.89695 
1 1 1  -13   20   18 o   83.574   27.692   11.172   6.9865  -6.2990   17.460   14.502   7.6234   71.970   34.238   93.793   28.699 -21.82278 44.67509 
1 1 1  -13   20   19 o   62.123   25.667   3.8105   6.7133  -5.9350   16.541   5.7325   7.3455   70.176   33.367   68.042   27.313 2.134880 43.12031 
1 1 1  -13   20   20 o   69.677   27.121   6.7083   7.0406  -5.2010   18.729   8.6683   7.5980   73.385   35.062   75.456   28.474 -2.071220 45.16768 
1 1 1  -13   20   21 o   67.682   27.120   5.9850   7.2279   0.0000   0.0000   5.9850   7.2279  ?   ?    67.682   27.120 0.000000 27.12046 
1 1 1  -13   20   22 o  119.097   29.881   24.667   9.2028   0.0000   0.0000   24.667   9.2028  ?   ?   119.097   29.881 0.000000 29.88086 
1 1 1  -13   20   23 o  132.985   22.970   27.647   7.6265   22.580   19.943   28.515   8.2538   95.618   41.952  133.216   24.833 -37.59773 48.75064 
1 1 1  -13   20   24 o   78.485   28.450   10.704   7.4526   23.530   19.582   8.5314   8.0591   94.620   41.540   72.837   28.815 21.78281 50.55616 
1 1 1  -13   20   25 o   81.149   31.147   12.485   9.1885   3.5730   19.716   14.958   10.385   74.689   35.763   85.904   33.078 -11.21426 48.71482 
1 1 1  -13   20   26 o   47.892   23.171  -7.7229   8.7948 -20.5800   19.508  -4.4432   9.8529   60.121   30.063   53.826   25.638 6.294556 39.51060 
1 1 1  -13   20   27 o  105.126   32.613   23.350   9.8059   20.634   11.476   30.700   18.877   93.073   35.021   95.288   41.325 -2.215309 54.16874 
1 1 1  -13   20   28 o   56.299   25.974   0.7624   8.8229   10.170   17.231  -2.5804   10.271   73.250   34.599   55.153   26.244 18.09661 43.42600 
1 1 1  -13   20   29 o   53.390   24.579   0.5481   7.8405   5.4893   11.389  -3.9032   10.810   64.690   29.722   54.147   26.070 10.54328 39.53550 
1 1 1  -13   20   30 o   70.152   28.612   10.066   8.2067   9.5178   11.813   10.578   11.409   68.727   31.068   70.155   31.211 -1.428032 44.03770 
1 1 1  -13   20   31 o   45.333   21.863  -4.8248   7.6775 -23.5699   10.800   14.323   10.916   40.769   20.636   74.787   31.913 -34.01757 38.00374 
1 1 1  -13   20   32 o   76.958   29.686   14.228   8.3763   20.719   12.049   8.1573   11.653   81.707   34.123   64.247   29.714 17.45977 45.24723 
1 1 1  -13   20   33 o   59.250   27.048   5.9895   9.2297   16.050   11.692 -10.6500   15.036   72.472   31.948   52.081   26.094 20.39114 41.25047 
1 1 1  -13   20   34 o   64.424   27.921   10.285   8.6052   9.4644   12.461   11.034   11.898   61.842   29.275   63.582   29.617 -1.739311 41.64358 
1 1 1  -13   21    1 o  119.706   26.976   21.628   8.1643   11.708   12.534   28.940   10.760   91.919   36.071  135.940   31.217 -44.02156 47.70354 
1 1 1  -13   21    2 o  220.812   15.941   66.359   9.0566   62.258   13.682   69.558   12.083  205.675   26.282  222.022   21.270 -16.34756 33.81033 
1 1 1  -13   21    3 o  166.172   19.401   38.634   8.1937   33.804   12.056   42.781   11.170  145.835   32.721  170.101   26.190 -24.26590 41.91143 
1 1 1  -13   21    4 o  119.542   29.931   22.317   9.2472   34.400   18.089   18.042   10.759  135.384   44.544  105.515   34.337 29.86843 56.24169 
1 1 1  -13   21    5 o  145.319   18.773   29.556   6.9013   39.330   20.152   28.258   7.3455  141.413   47.039  140.928   20.743 0.4845734 51.40920 
1 1 1  -13   21    6 o  109.615   24.114   17.843   6.6608   20.820   19.618   17.455   7.0815  109.892   44.452  107.494   25.767 2.397697 51.38023 
1 1 1  -13   21    7 o  130.909   21.109   24.606   6.9144   51.190   20.993   21.371   7.3231  161.150   47.237  119.901   24.409 41.24897 53.17052 
1 1 1  -13   21    8 o   47.219   21.795  -3.5639   6.2230   26.040   18.820  -7.1980   6.5939  116.866   44.642   43.746   20.874 73.12029 49.28111 
1 1 1  -13   21    9 o   74.573   26.458   7.8708   6.4080   9.9220   18.900   7.6043   6.8114   93.407   40.914   74.246   27.155 19.16115 49.10553 
1 1 1  -13   21   10 o  223.548   14.336   67.903   8.2576   78.370   21.156   66.022   8.9690  210.358   40.294  219.247   15.901 -8.889023 43.31773 
1 1 1  -13   21   11 o   84.037   26.615   10.849   6.4961   18.300   16.470   9.4770   7.0692  102.167   40.939   79.662   27.829 22.50558 49.50242 
1 1 1  -13   21   12 o  161.741   17.924   36.822   7.3831   26.870   18.906   38.613   8.0199  114.395   44.467  164.762   19.149 -50.36720 48.41432 
1 1 1  -13   21   13 o  150.283   18.729   32.163   7.1327   20.040   18.303   34.334   7.7450  103.083   42.464  154.531   19.805 -51.44830 46.85546 
1 1 1  -13   21   14 o   84.227   27.166   11.196   6.7443 -22.9000   19.117   16.042   7.2077   64.982   32.009  100.162   27.116 -35.18048 41.95057 
1 1 1  -13   21   15 o   82.425   30.907   10.650   8.9230   6.5550   19.020   11.805   10.104   85.479   38.947   85.670   32.713 -0.1907806 50.86261 
1 1 1  -13   21   16 o  131.829   35.733   31.855   12.507   25.160   18.439   37.560   17.022  107.270   43.199  132.030   43.199 -24.76020 61.09251 
1 1 1  -13   21   17 o   71.789   27.130   7.4779   6.9041   4.1220   18.808   8.0005   7.4222   81.408   37.686   73.740   28.067 7.667480 46.98884 
1 1 1  -13   21   18 o   66.275   26.654   5.4518   7.0093   6.2000   18.190   5.3213   7.5959   81.960   37.622   67.007   27.451 14.95258 46.57212 
1 1 1  -13   21   19 o  110.565   25.128   19.577   7.0332   33.730   18.121   17.067   7.6315  117.443   44.044  100.401   28.188 17.04115 52.29192 
1 1 1  -13   21   20 f   58.570   26.051   1.0312   7.9446   0.0000   0.0000   1.0312   7.9446  ?   ?    58.570   26.051 0.000000 26.05128 
1 1 1  -13   21   21 f  118.709   26.832   23.533   8.0568   28.190   18.180   22.395   8.9875  104.482   42.597  111.835   30.281 -7.352615 52.26283 
1 1 1  -13   21   22 o   68.673   26.637   7.1967   6.7732  -3.1260   18.276   8.8403   7.2925   70.473   33.923   73.409   27.849 -2.935776 43.88972 
1 1 1  -13   21   23 o   88.830   27.903   14.169   7.1530   14.280   18.263   14.149   7.7741   83.388   38.059   87.525   29.221 -4.137291 47.98283 
1 1 1  -13   21   24 o   65.669   26.523   6.5064   6.9731  -5.5450   17.868   8.6715   7.5736   66.035   32.194   71.381   28.031 -5.345085 42.68721 
1 1 1  -13   21   25 o   88.412   28.921   15.098   7.6292   15.520   17.158   14.994   8.5176   80.643   36.839   86.100   30.508 -5.457329 47.83151 
1 1 1  -13   21   26 o   65.766   27.121   7.1019   7.4762 -28.1100   16.003   16.932   8.4556   50.597   25.552   90.308   30.473 -39.71092 39.76807 
1 1 1  -13   21   27 o   81.645   35.247   18.023   13.607   8.7680   19.125   27.510   19.363   71.456   34.473   86.419   39.344 -14.96293 52.30976 
1 1 1  -13   21   28 o   71.238   30.403   10.805   9.9093   5.7130   21.100   12.246   11.224   68.567   33.746   73.110   31.786 -4.542793 46.35940 
1 1 1  -13   21   29 o   81.593   29.757   15.012   8.1708   16.087   11.574   13.944   11.536   77.515   32.964   74.126   32.227 3.388985 46.09977 
1 1 1  -13   21   30 o   68.288   28.206   10.013   8.1038   1.5772   12.046   16.989   10.953   58.432   27.972   78.372   32.616 -19.93991 42.96778 
1 1 1  -13   21   31 f   66.299   27.980   9.7091   8.2353   3.8674   11.878   15.117   11.428   59.188   28.180   72.667   31.823 -13.47978 42.50626 
1 1 1  -13   21   32 o   49.334   23.702  -1.5807   8.8233   16.820   13.207 -16.4142   11.858   70.676   32.299   44.645   22.477 26.03079 39.35012 
1 1 1  -13   21   33 o   48.657   23.381  -0.8633   8.5959   17.879   12.301 -18.7475   12.016   70.460   31.790   43.028   21.778 27.43226 38.53448 
1 1 1  -13   22    1 o   63.709   26.665   3.0277   7.3804   20.399   11.199 -10.3104   9.8129  109.634   34.969   52.367   25.116 57.26649 43.05366 
1 1 1  -13   22    2 o   77.972   28.615   8.6092   7.5730  -6.1157   11.086   21.495   10.370   60.569   28.337  113.625   33.169 -53.05584 43.62587 
1 1 1  -13   22    3 o   86.175   28.186   11.423   7.2466   8.2766   10.960   13.866   9.6593   81.493   33.132   93.175   32.532 -11.68202 46.43290 
1 1 1  -13   22    4 o  192.148   16.879   51.139   8.3157   39.819   11.963   61.722   11.567  158.694   30.206  206.795   21.929 -48.10040 37.32674 
1 1 1  -13   22    5 o   47.209   21.175  -1.3359   5.3674 -30.5400   16.586   2.0801   5.6726   57.071   28.408   56.081   23.417 0.9896088 36.81510 
1 1 1  -13   22    6 f   71.947   25.889   7.2617   6.1563   23.900   17.450   4.8965   6.5793  111.358   42.877   65.827   26.038 45.53027 50.16418 
1 1 1  -13   22    7 o   95.348   25.477   14.051   6.4123  -3.5320   17.285   16.857   6.9050   75.992   35.499  104.432   25.700 -28.43958 43.82524 
1 1 1  -13   22    8 o   53.446   23.147   0.7071   5.9065   31.900   17.887  -3.1106   6.2576  124.027   44.182   47.659   21.947 76.36816 49.33287 
1 1 1  -13   22    9 o  141.828   19.967   29.017   7.1324   35.040   19.710   28.109   7.6509  126.042   46.178  138.006   22.152 -11.96408 51.21647 
1 1 1  -13   22   10 o  151.657   19.029   32.917   7.3109   21.160   19.333   34.879   7.8973  103.861   43.287  155.340   20.098 -51.47946 47.72486 
1 1 1  -13   22   11 o  104.632   25.213   17.100   6.7529   14.420   17.606   17.562   7.3121   93.819   40.294  104.934   26.805 -11.11504 48.39561 
1 1 1  -13   22   12 o   72.311   26.615   7.5986   6.5582   19.110   18.680   5.9802   7.0041   99.389   42.053   68.415   26.927 30.97362 49.93552 
1 1 1  -13   22   13 o  169.026   17.803   40.678   7.6775   40.890   19.515   40.639   8.3509  131.919   46.230  167.362   19.636 -35.44310 50.22750 
1 1 1  -13   22   14 o  108.995   31.841   20.896   9.5532  -1.7790   19.942   27.650   10.883   77.791   36.885  124.676   33.133 -46.88526 49.58136 
1 1 1  -13   22   15 o  114.303   28.055   21.656   8.2446   2.9870   20.457   25.276   9.0087   81.288   38.178  123.136   28.764 -41.84853 47.80090 
1 1 1  -13   22   16 o   60.632   25.447   3.3968   6.7507 -39.1600   18.783   9.7093   7.2341   55.508   27.989   77.722   28.052 -22.21415 39.62658 
1 1 1  -13   22   17 f  165.201   18.383   39.651   7.7331   29.620   19.013   41.640   8.4649  108.322   43.781  167.865   19.852 -59.54305 48.07136 
1 1 1  -13   22   18 o  110.699   27.278   20.595   7.7711   0.0000   0.0000   20.595   7.7711  ?   ?   110.699   27.278 0.000000 27.27783 
1 1 1  -13   22   19 o   61.528   27.085   2.5074   8.3746   0.0000   0.0000   2.5074   8.3746  ?   ?    61.528   27.085 0.000000 27.08549 
1 1 1  -13   22   20 o   75.722   27.485   9.6970   6.9589 -24.2500   18.544   15.261   7.5076   59.154   29.539   92.407   28.515 -33.25315 41.05656 
1 1 1  -13   22   21 o   77.765   27.564   10.607   6.9537  -5.8100   16.904   13.951   7.6290   65.875   31.932   87.148   28.940 -21.27270 43.09527 
1 1 1  -13   22   22 o  103.657   26.974   19.012   7.3122   18.840   17.352   19.049   8.0631   86.473   38.479  101.004   29.180 -14.53062 48.29239 
1 1 1  -13   22   23 o   50.281   23.202  -1.1887   7.0457   5.1460   16.790  -2.5426   7.7622   71.346   33.834   50.405   23.624 20.94130 41.26505 
1 1 1  -13   22   24 o   58.257   25.476   3.5175   7.3014  -2.8020   16.884   4.9712   8.0978   64.365   31.361   62.137   27.007 2.228039 41.38746 
1 1 1  -13   22   25 o   66.684   27.417   7.8170   7.6113 -11.6700   18.614   11.730   8.3405   60.187   29.981   75.558   29.488 -15.37172 42.05270 
1 1 1  -13   22   26 f   73.931   30.870   12.142   9.8589   14.820   19.953   11.277   11.340   74.006   35.578   71.829   31.571 2.177155 47.56644 
1 1 1  -13   22   27 o   56.974   26.608   1.7086   9.7013   37.670   20.935  -8.1251   10.948   88.669   40.576   50.007   24.551 38.66130 47.42566 
1 1 1  -13   22   28 o   59.406   26.459   5.2162   8.2248   22.150   21.129   2.1919   8.9291   74.470   36.002   55.769   25.869 18.70079 44.33211 
1 1 1  -13   22   29 o   77.999   31.469   16.269   9.8047  -9.8710   20.757   23.776   11.124   58.198   29.355   89.973   34.333 -31.77521 45.17128 
1 1 1  -13   22   30 o   74.122   31.079   15.475   10.054   47.370   20.737   5.6743   11.495   88.404   40.429   59.911   28.286 28.49294 49.34147 
1 1 1  -13   22   31 o   73.406   29.605   14.639   8.6735   19.510   12.341   9.8852   12.193   74.045   32.723   62.663   29.445 11.38201 44.02073 
1 1 1  -13   22   32 o   50.626   24.431   0.3242   9.6226   0.8069   12.563  -0.3609   14.967   53.537   26.288   54.286   27.016 -0.7486305 37.69477 
1 1 1  -13   23    1 o  146.887   21.220   31.526   7.8399   36.939   11.991   27.485   10.361  149.132   32.000  128.494   31.396 20.63742 44.83000 
1 1 1  -13   23    2 o  166.728   19.323   39.783   8.1904   36.677   12.019   42.476   11.191  148.259   32.217  165.315   27.072 -17.05669 42.08094 
1 1 1  -13   23    3 o  117.084   25.561   21.266   7.5348   18.955   11.258   23.141   10.141  103.265   35.161  116.385   32.429 -13.12009 47.83239 
1 1 1  -13   23    4 f   74.521   28.111   7.9034   7.4036   3.1133   10.980   11.897   10.025   70.957   31.130   86.430   32.686 -15.47326 45.13789 
1 1 1  -13   23    5 o   77.724   29.085   8.9617   7.8935   19.250   16.751   6.0248   8.9495  100.781   40.965   72.197   29.712 28.58414 50.60543 
1 1 1  -13   23    6 o  104.492   24.097   16.832   6.3890   30.700   17.156   14.599   6.8842  119.828   43.206   95.507   26.758 24.32156 50.82090 
1 1 1  -13   23    7 f  113.349   23.421   19.606   6.6490   30.580   18.300   17.937   7.1367  117.271   44.206  106.343   26.102 10.92854 51.33670 
1 1 1  -13   23    8 o   44.772   20.957  -4.1999   6.0758   2.3570   16.963  -5.1649   6.5075   78.568   36.163   45.199   21.323 33.36921 41.98133 
1 1 1  -13   23    9 f   36.004   17.638  -9.3139   5.5552  -3.2850   16.514 -10.0832   5.8990   72.372   34.088   36.798   18.057 35.57468 38.57534 
1 1 1  -13   23   10 o  132.611   20.652   26.025   6.8631   25.330   17.847   26.146   7.4349  106.760   42.674  131.305   22.680 -24.54509 48.32602 
1 1 1  -13   23   11 o  174.542   17.411   43.419   7.7668   27.010   18.003   47.172   8.6092  108.394   43.009  180.796   18.651 -72.40137 46.87911 
1 1 1  -13   23   12 o  133.885   22.341   27.253   7.4748   27.520   20.011   27.210   8.0580  106.255   44.141  131.865   24.493 -25.61029 50.48096 
1 1 1  -13   23   13 f   62.307   27.957   0.9702   9.3658   23.890   19.173  -6.2134   10.734  101.026   42.668   56.868   26.992 44.15887 50.48856 
1 1 1  -13   23   14 o   86.161   29.920   12.914   8.1657   14.330   18.073   12.551   9.1533   88.592   39.354   84.662   31.390 3.930580 50.33959 
1 1 1  -13   23   15 o  137.459   21.559   28.790   7.4238 -20.0100   18.725   37.891   8.0864   62.664   31.017  159.506   20.012 -96.84231 36.91302 
1 1 1  -13   23   16 o  145.308   20.590   31.890   7.5329  -3.1530   18.853   38.548   8.2174   72.083   34.635  160.252   20.248 -88.16892 40.11983 
1 1 1  -13   23   17 f   54.782   24.759  -0.0878   7.4992   0.0000   0.0000  -0.0878   7.4992  ?   ?    54.782   24.759 0.000000 24.75941 
1 1 1  -13   23   18 o   47.854   22.243  -2.6714   6.6533  -6.1360   17.755  -2.1054   7.1762   67.245   32.626   50.401   23.313 16.84379 40.09935 
1 1 1  -13   23   19 o   46.118   21.705  -3.7450   6.6703  -7.4000   18.053  -3.1671   7.1783   65.955   32.200   48.596   22.757 17.35901 39.43047 
1 1 1  -13   23   20 o   90.921   28.230   15.314   7.3454 -12.6100   18.716   20.398   7.9862   62.967   31.139  105.388   28.548 -42.42146 42.24502 
1 1 1  -13   23   21 o   67.960   27.052   7.7125   7.1436   3.1270   18.451   8.5211   7.7478   70.740   34.059   70.112   28.084 0.6275864 44.14482 
1 1 1  -13   23   22 o   93.888   28.383   17.034   7.4884   39.600   19.244   13.007   8.1291  104.079   43.266   80.192   29.612 23.88708 52.42945 
1 1 1  -13   23   23 o   35.921   17.960 -14.1298   6.9543 -12.9100   18.152 -14.3396   7.5288   59.115   29.473   37.711   18.830 21.40356 34.97425 
1 1 1  -13   23   24 o   51.432   23.827  -0.1527   7.5387 -12.7600   19.002   2.2024   8.2127   59.005   29.530   56.162   25.590 2.842842 39.07479 
1 1 1  -13   23   25 o   61.454   28.004   5.1159   9.8374 -11.3400   19.952   10.401   11.307   59.324   29.770   69.253   30.921 -9.929314 42.92303 
1 1 1  -13   23   26 o   65.206   28.908   8.4154   9.7053   28.850   21.046   2.8959   10.938   78.921   37.557   58.866   27.731 20.05450 46.68575 
1 1 1  -13   23   27 o   47.815   22.815  -2.3418   7.8754   7.5140   20.440  -4.0599   8.5343   65.094   32.254   47.444   22.923 17.64983 39.56953 
1 1 1  -13   23   28 o   76.975   29.263   14.535   8.0623   23.460   19.602   12.718   8.8451   72.312   34.889   71.128   29.431 1.184326 45.64465 
1 1 1  -13   23   29 o   62.431   27.014   8.5836   8.0299   2.8580   19.445   9.7608   8.8168   59.792   29.916   64.155   28.027 -4.362408 40.99368 
1 1 1  -13   23   30 o   71.000   31.064   16.629   10.868   0.0000   0.0000   16.629   10.868  ?   ?    71.000   31.064 0.000000 31.06421 
1 1 1  -13   23   31 o   43.527   21.223  -3.6939   7.7701 -21.2400   22.799  -1.3879   8.2650   51.117   26.217   46.594   22.523 4.523518 34.56333 
1 1 1  -13   24    1 o   84.232   28.957   11.647   7.6390   9.4725   11.295   13.479   10.370   80.653   33.306   88.508   33.294 -7.855446 47.09332 
1 1 1  -13   24    2 o  154.559   19.666   34.833   7.6950   41.214   12.107   30.508   9.9673  156.434   30.974  135.816   29.200 20.61726 42.56775 
1 1 1  -13   24    3 o  183.477   17.878   48.082   8.3890   40.745   12.388   54.295   11.401  154.015   32.094  188.555   23.877 -34.53958 40.00190 
1 1 1  -13   24    4 o   77.868   27.991   9.5765   7.1948   9.4137   10.746   9.7088   9.6864   79.754   32.659   79.533   31.551 0.2210541 45.40960 
1 1 1  -13   24    5 o  190.305   16.685   51.194   8.1417   29.168   11.767   71.425   11.277  125.444   34.925  221.206   19.894 -95.76221 40.19339 
1 1 1  -13   24    6 o  136.844   27.158   30.309   9.2871   17.580   18.125   34.841   10.815   94.401   40.717  143.814   30.002 -49.41365 50.57601 
1 1 1  -13   24    7 o   95.525   27.109   15.134   7.0191   22.550   18.886   13.945   7.5607  100.156   42.326   90.633   28.714 9.523468 51.14690 
1 1 1  -13   24    8 o  172.024   20.898   44.107   9.1209   22.100   20.111   49.805   10.234   98.496   42.685  181.360   22.251 -82.86491 48.13693 
1 1 1  -13   24    9 o   41.610   19.866  -5.8752   5.9894 -25.5700   17.696  -3.3272   6.3651   58.805   29.283   46.678   21.716 12.12732 36.45678 
1 1 1  -13   24   10 o  160.074   18.351   37.287   7.4718   21.440   18.402   40.415   8.1760   96.983   41.412  165.650   19.423 -68.66635 45.74047 
1 1 1  -13   24   11 o   82.408   30.885   11.814   8.9077   19.030   16.417   8.8032   10.604   93.793   39.540   76.579   32.000 17.21398 50.86666 
1 1 1  -13   24   12 o   39.777   19.678 -13.4406   7.4983   15.200   17.649 -19.7493   8.2831   87.948   38.987   38.226   19.182 49.72245 43.45042 
1 1 1  -13   24   13 o   60.535   26.313   2.8132   7.6877   9.8550   17.000   1.0029   8.6194   81.107   36.902   59.546   26.762 21.56076 45.58509 
1 1 1  -13   24   14 o  124.324   22.931   24.426   7.1126   25.430   17.390   24.224   7.7943   99.370   41.204  121.037   25.657 -21.66797 48.53927 
1 1 1  -13   24   15 o   42.010   20.454  -8.9861   7.1435   0.0000   0.0000  -8.9861   7.1435  ?   ?    42.010   20.454 0.000000 20.45363 
1 1 1  -13   24   16 o   66.273   27.226   6.2671   7.4986 -18.6100   18.104   11.418   8.2384   60.182   29.911   79.083   29.690 -18.90127 42.14444 
1 1 1  -13   24   17 o   83.461   26.914   12.472   6.6199   6.8810   16.200   13.593   7.2532   74.107   34.533   85.879   28.204 -11.77161 44.58698 
1 1 1  -13   24   18 o   84.717   28.116   13.438   7.2010   44.660   17.149   6.7547   7.9344  125.352   43.370   66.641   27.749 58.71040 51.48720 
1 1 1  -13   24   19 o   45.811   21.602  -3.3732   6.6669   1.7270   17.658  -4.2211   7.1998   68.689   33.134   46.424   22.056 22.26506 39.80365 
1 1 1  -13   24   20 o   74.754   28.081   10.776   7.3721   23.470   18.884   8.4939   8.0075   84.951   38.745   68.878   28.197 16.07265 47.91921 
1 1 1  -13   24   21 f   74.819   27.718   11.039   7.1340   26.220   18.887   8.5124   7.7048   85.397   38.871   68.002   27.728 17.39433 47.74685 
1 1 1  -13   24   22 o   50.987   23.527   0.0903   7.2429   14.420   19.431  -2.2219   7.8054   73.373   35.231   49.212   23.257 24.16157 42.21515 
1 1 1  -13   24   23 o  100.249   28.910   20.897   7.9210   15.620   19.840   21.898   8.6394   72.348   34.954   99.647   30.562 -27.29827 46.43113 
1 1 1  -13   24   24 o   74.603   31.032   14.047   9.9085   9.0050   19.929   15.702   11.420   66.917   32.908   75.496   32.440 -8.578575 46.20888 
1 1 1  -13   24   25 o   64.323   28.497   8.6285   9.4150  -6.3740   20.172   12.807   10.646   58.982   29.645   70.350   30.763 -11.36749 42.72215 
1 1 1  -13   24   26 o   43.061   20.871  -4.8071   7.2168  -1.6890   19.531  -5.3001   7.7664   59.364   29.743   43.960   21.386 15.40335 36.63313 
1 1 1  -13   24   27 o   48.923   23.126  -0.1162   7.7252 -40.7300   18.480   8.4845   8.5040   45.924   23.557   62.171   27.333 -16.24747 36.08328 
1 1 1  -13   24   28 f   39.751   19.733  -9.3001   7.7892 -29.8700   18.576  -4.9120   8.5799   47.750   24.429   44.986   22.013 2.764263 32.88388 
1 1 1  -13   24   29 o   48.898   23.917  -1.9640   10.095   0.0000   0.0000  -1.9640   10.095  ?   ?    48.898   23.917 0.000000 23.91666 
1 1 1  -13   24   30 f   91.135   31.285   24.657   8.9153   69.850   23.794   17.276   9.6158   80.583   38.768   70.752   30.066 9.831421 49.06056 
1 1 1  -13   25    1 o  108.339   27.225   19.626   7.6310   22.335   11.304   17.357   10.344  106.525   35.220   95.613   33.648 10.91216 48.70949 
1 1 1  -13   25    2 o  114.753   26.712   21.756   7.7914   17.361   11.664   25.297   10.470   94.091   35.327  116.638   33.111 -22.54678 48.41813 
1 1 1  -13   25    3 o  107.213   27.235   19.288   7.5785   26.733   11.813   14.081   9.8795  116.206   35.753   87.772   32.598 28.43424 48.38355 
1 1 1  -13   25    4 o  153.415   20.421   35.235   7.9137   32.805   11.867   37.181   10.620  131.815   34.392  148.655   28.618 -16.83983 44.74193 
1 1 1  -13   25    5 o   79.973   28.123   10.787   7.2246  -4.5685   10.450   24.845   9.9991   57.265   27.016  116.287   32.129 -59.02173 41.97821 
1 1 1  -13   25    6 o   83.438   30.861   12.346   8.8366   31.550   18.031   6.2757   10.137  110.460   43.289   71.299   30.598 39.16084 53.01095 
1 1 1  -13   25    7 o   79.100   26.597   10.466   6.4410 -12.8700   17.123   14.312   6.9516   63.529   31.089   91.353   27.286 -27.82408 41.36513 
1 1 1  -13   25    8 o  101.504   26.353   17.346   6.9899 -13.0500   18.098   22.675   7.5778   64.652   31.706  117.416   25.634 -52.76409 40.77224 
1 1 1  -13   25    9 o   80.436   30.502   11.474   8.7460   8.8670   18.011   12.278   10.005   80.177   37.032   82.043   32.217 -1.865967 49.08489 
1 1 1  -13   25   10 f  115.640   37.450   29.084   12.807   41.890   19.269   18.950   17.142  121.094   45.417   90.398   39.292 30.69547 60.05470 
1 1 1  -13   25   11 o   72.603   28.476   8.6270   7.8073  -0.5360   16.789   11.155   8.8188   70.069   33.400   78.864   30.449 -8.795410 45.19600 
1 1 1  -13   25   12 o   60.124   26.848   2.0998   8.5270   0.0000   0.0000   2.0998   8.5270  ?   ?    60.124   26.848 0.000000 26.84816 
1 1 1  -13   25   13 o   55.964   25.468   0.2365   8.1022   0.0000   0.0000   0.2365   8.1022  ?   ?    55.964   25.468 0.000000 25.46791 
1 1 1  -13   25   14 o   50.655   23.372  -1.4173   7.1466 -28.4500   16.061   5.2564   7.9801   51.906   26.135   64.061   27.310 -12.15497 37.80088 
1 1 1  -13   25   15 o   56.801   24.456   3.1305   6.5151  -4.8060   17.312   4.4400   7.0321   65.110   31.731   60.542   25.719 4.568207 40.84553 
1 1 1  -13   25   16 o   90.013   26.948   14.927   6.7744   31.510   18.071   12.216   7.3072   97.969   41.402   79.986   28.267 17.98363 50.13139 
1 1 1  -13   25   17 o   89.995   27.660   15.449   7.0724   22.690   17.152   13.966   7.7632   86.262   38.327   83.456   29.163 2.806190 48.16066 
1 1 1  -13   25   18 o   59.044   25.451   4.4442   7.0735 -11.1800   16.451   7.9880   7.8347   58.059   28.797   67.155   27.736 -9.095882 39.98204 
1 1 1  -13   25   19 o   57.157   25.130   3.7003   7.1892   13.280   17.219   1.6777   7.9118   73.518   34.683   54.984   25.078 18.53320 42.79938 
1 1 1  -13   25   20 o   68.243   27.258   9.1399   7.2762   18.420   18.663   7.4764   7.9015   75.581   35.792   64.460   27.317 11.12096 45.02559 
1 1 1  -13   25   21 o   82.871   28.623   14.941   7.4679   16.280   19.204   14.703   8.1059   72.139   34.737   80.304   29.585 -8.165184 45.62769 
1 1 1  -13   25   22 o   63.136   27.031   7.6526   7.8786   16.810   19.180   5.7937   8.6413   70.847   34.262   60.142   26.929 10.70496 43.57877 
1 1 1  -13   25   23 o   54.949   26.011   1.5232   9.8362   11.320   20.005  -1.6003   11.296   66.081   32.588   53.800   26.085 12.28103 41.74195 
1 1 1  -13   25   24 o   43.346   21.375  -8.1581   8.6039 -11.9900   19.124  -7.1857   9.6339   54.958   27.775   46.242   22.767 8.715729 35.91407 
1 1 1  -13   25   25 o   65.489   27.360   10.086   7.7496   21.250   19.406   7.9683   8.4529   68.558   33.452   61.073   27.032 7.485180 43.00901 
1 1 1  -13   25   26 o   65.761   27.651   10.905   7.9949  -9.1670   17.958   15.866   8.9286   53.210   26.895   74.321   30.015 -21.11183 40.30143 
1 1 1  -13   25   27 o   48.426   23.102   0.3264   8.0658   12.830   20.041  -2.0905   8.8109   60.611   30.332   47.102   22.883 13.50881 37.99576 
1 1 1  -13   25   28 o   52.942   25.377   4.0054   9.9870   0.0000   0.0000   4.0054   9.9870  ?   ?    52.942   25.377 0.000000 25.37736 
1 1 1  -13   25   29 o   35.189   17.808 -15.2192   8.0161   21.580   22.401 -20.6234   8.5846   58.725   29.724   34.038   17.344 24.68718 34.41404 
1 1 1  -13   26    1 o   90.680   27.061   14.300   6.8395   7.7916   9.6085   20.986   9.7379   72.308   30.354  103.876   32.545 -31.56835 44.50295 
1 1 1  -13   26    2 o   48.512   22.340  -1.9188   6.4844  -0.3183   9.2885  -3.4404   9.0565   58.662   26.912   54.143   25.421 4.518925 37.01939 
1 1 1  -13   26    3 o  125.518   23.193   25.108   7.2629   31.419   10.563   19.449   10.003  130.240   31.626   98.691   33.144 31.54937 45.81219 
1 1 1  -13   26    4 o   44.674   21.282  -5.4041   6.7962  -0.1326   9.9202 -10.0667   9.3296   60.089   27.657   48.081   23.402 12.00865 36.22908 
1 1 1  -13   26    5 o   87.383   27.800   13.617   7.0813   14.224   10.126   13.036   9.9066   85.128   32.691   82.612   32.167 2.516327 45.86314 
1 1 1  -13   26    6 o   54.326   24.178   0.9991   6.8526   10.608   9.5668  -9.1257   9.8202   77.160   31.101   50.077   24.289 27.08358 39.46202 
1 1 1  -13   26    7 o  114.534   30.531   24.505   9.2227   24.800   17.441   24.391   10.866   95.464   40.528  108.073   34.443 -12.60874 53.18661 
1 1 1  -13   26    8 o   62.268   28.809   0.6511   10.969  -5.9050   15.563   7.1240   15.463   63.474   30.737   74.356   34.333 -10.88195 46.08161 
1 1 1  -13   26    9 o  148.267   27.409   38.149   10.139   0.0000   0.0000   38.149   10.139  ?   ?   148.267   27.409 0.000000 27.40948 
1 1 1  -13   26   10 o  109.988   30.302   23.102   8.9090   0.0000   0.0000   23.102   8.9090  ?   ?   109.988   30.302 0.000000 30.30198 
1 1 1  -13   26   11 o   60.696   26.689   3.6163   8.1114   0.0000   0.0000   3.6163   8.1114  ?   ?    60.696   26.689 0.000000 26.68924 
1 1 1  -13   26   12 o  128.166   24.404   27.693   7.8060 -14.0500   19.526   35.634   8.5161   62.046   30.875  147.468   23.049 -85.42157 38.52900 
1 1 1  -13   26   13 o   42.084   20.368  -6.8025   6.8113   4.3420   17.175  -8.8825   7.4197   69.773   33.401   42.068   20.561 27.70554 39.22231 
1 1 1  -13   26   14 f   60.094   25.528   4.8540   6.9271   17.840   16.759   2.1784   7.6073   80.607   36.662   56.156   25.197 24.45167 44.48554 
1 1 1  -13   26   15 o  106.932   26.403   21.018   7.2697   28.090   18.623   19.747   7.8961   88.148   39.497   99.683   28.899 -11.53522 48.94030 
1 1 1  -13   26   16 f   65.912   26.902   7.8402   7.2618  -6.9550   17.927   10.744   7.9426   60.811   30.145   72.583   28.641 -11.77194 41.58117 
1 1 1  -13   26   17 o   34.259   17.188 -14.3903   6.6336 -29.7200   16.332 -11.3617   7.2594   48.908   24.822   38.544   19.120 10.36389 31.33167 
1 1 1  -13   26   18 o   69.926   27.656   10.161   7.4215   37.230   17.610   4.3156   8.1838   94.476   40.430   58.282   26.144 36.19397 48.14667 
1 1 1  -13   26   19 o   51.486   23.586   1.4046   7.1005   1.3600   16.097   1.4154   7.9118   61.113   29.956   52.940   24.484 8.172729 38.68938 
1 1 1  -13   26   20 o   55.292   24.684   3.9468   7.2031 -19.5800   17.300   8.8811   7.9226   51.763   26.191   64.970   27.433 -13.20733 37.92801 
1 1 1  -13   26   21 o   80.983   29.205   15.826   7.8387  -0.7230   18.888   19.269   8.6157   59.417   29.692   87.394   30.712 -27.97696 42.71796 
1 1 1  -13   26   22 o   42.492   21.212 -12.0381   9.5334 -18.4300   18.528  -9.7364   11.118   51.886   26.344   46.852   23.311 5.033352 35.17673 
1 1 1  -13   26   23 o   70.667   29.895   14.244   9.4374   34.100   19.682   8.3156   10.754   75.520   36.044   60.859   28.285 14.66090 45.81692 
1 1 1  -13   26   24 o   42.859   20.902  -4.6182   7.5479 -11.8600   18.021  -3.0776   8.3120   51.979   26.348   45.852   22.264 6.126530 34.49479 
1 1 1  -13   26   25 o   51.293   23.884   3.1350   7.7253   42.890   17.589  -6.3676   8.5992   82.639   37.575   43.054   21.257 39.58542 43.17082 
1 1 1  -13   26   26 o   60.645   27.165   10.286   8.8019   0.0000   0.0000   10.286   8.8019  ?   ?    60.645   27.165 0.000000 27.16486 
1 1 1  -13   26   27 o   43.857   21.683  -4.3872   9.0526  -9.2010   22.024  -3.4087   9.9303   50.975   26.119   45.705   22.617 5.270435 34.54992 
1 1 1  -13   26   28 o   44.652   21.812  -0.9276   8.3169 -40.7400   22.268   5.5264   8.9657   44.328   22.874   51.383   24.469 -7.055595 33.49532 
1 1 1  -13   27    1 o   73.408   27.345   9.5405   6.9623   22.215   10.361  -0.8945   9.4011  101.805   33.722   56.760   26.402 45.04541 42.82819 
1 1 1  -13   27    2 o   51.641   23.237   0.4227   6.5218  -7.3306   9.1000   8.6107   9.3516   49.024   23.682   71.415   29.961 -22.39128 38.19019 
1 1 1  -13   27    3 o   56.693   24.773   2.6676   6.8919  -0.7428   9.2931   6.8359   10.274   56.584   26.297   68.802   30.150 -12.21786 40.00690 
1 1 1  -13   27    4 o   60.549   25.540   4.6008   6.8553  -8.9567   9.4550   19.627   9.9539   48.376   23.549   95.587   33.044 -47.21031 40.57610 
1 1 1  -13   27    5 o   69.825   30.520   7.6383   10.468   0.0000   0.0000   7.6383   10.468  ?   ?    69.825   30.520 0.000000 30.52039 
1 1 1  -13   27    6 o   65.348   31.490  -1.1810   15.852   0.0000   0.0000  -1.1810   15.852  ?   ?    65.348   31.490 0.000000 31.48999 
1 1 1  -13   27    7 o   73.939   32.175   10.440   11.521   10.440   11.521   0.0000   0.0000   73.939   32.175  ?   ?  0.000000 32.17549 
1 1 1  -13   27    8 o   60.521   25.395   4.9995   6.7207  -9.5830   15.936   8.1542   7.4121   59.343   29.230   68.457   27.452 -9.114235 40.09999 
1 1 1  -13   27    9 o  112.175   25.123   22.038   7.1185   24.740   17.892   21.530   7.7590   87.524   39.001  107.328   27.716 -19.80411 47.84634 
1 1 1  -13   27   10 o   58.679   24.961   4.4750   6.6400   12.170   16.222   2.9263   7.2775   74.547   34.677   56.650   25.078 17.89706 42.79509 
1 1 1  -13   27   11 o   51.491   23.244   1.0101   6.5868 -19.2800   18.373   4.0026   7.0559   56.520   28.391   57.968   25.203 -1.448471 37.96361 
1 1 1  -13   27   12 o   82.420   28.165   13.830   7.2244   28.380   19.335   11.469   7.7885   85.771   39.152   74.640   28.669 11.13159 48.52666 
1 1 1  -13   27   13 o  182.107   18.159   51.638   8.4517   16.100   18.455   61.068   9.5072   74.472   35.361  196.789   18.883 -122.3171 40.08704 
1 1 1  -13   27   14 o  120.562   25.254   26.562   7.6341   8.8820   18.277   30.298   8.4022   68.279   33.122  127.355   26.339 -59.07624 42.31799 
1 1 1  -13   27   15 o   93.529   28.388   18.409   7.4801   12.700   18.610   19.509   8.1691   69.588   33.677   93.705   29.864 -24.11691 45.01108 
1 1 1  -13   27   16 o  111.207   26.654   24.214   7.5779   23.770   18.587   24.303   8.2990   76.130   35.951  106.821   29.171 -30.69030 46.29742 
1 1 1  -13   27   17 o   38.110   18.875  -9.7558   6.9728 -21.0400   16.560  -7.3241   7.6875   50.321   25.480   42.204   20.690 8.117680 32.82233 
1 1 1  -13   27   18 o   53.265   24.078   3.2113   7.0953   18.930   17.234   0.0032   7.7857   70.428   33.645   49.726   23.417 20.70245 40.99176 
1 1 1  -13   27   19 o   77.825   28.827   14.951   7.7153   6.6870   17.430   16.965   8.6042   61.385   30.299   80.004   30.274 -18.61893 42.83183 
1 1 1  -13   27   20 o   58.171   25.855   6.5177   7.8121   26.500   17.642   1.6437   8.7129   72.809   34.572   52.008   24.577 20.80043 42.41740 
1 1 1  -13   27   21 o   47.391   23.272  -4.4456   9.8551  -9.1180   17.554  -2.2953   11.909   52.772   26.663   51.471   25.336 1.300213 36.78136 
1 1 1  -13   27   22 o   52.819   25.100   2.9920   9.3341  -0.5189   17.768   4.3303   10.970   55.219   27.762   55.131   26.471 0.8843994E-01 38.35998 
1 1 1  -13   27   23 o   41.536   20.421  -5.5214   7.6585   10.220   17.618  -9.1891   8.5040   58.603   29.188   40.591   20.227 18.01194 35.51160 
1 1 1  -13   27   24 o   59.337   26.246   9.3116   7.9561   7.8660   18.828   9.6259   8.7783   56.154   28.277   59.149   26.756 -2.995308 38.92896 
1 1 1  -13   27   25 o   44.993   22.308  -3.9925   9.8378   0.0000   0.0000  -3.9925   9.8378  ?   ?    44.993   22.308 0.000000 22.30831 
1 1 1  -13   27   26 o   51.342   24.510   5.6075   9.1127  -1.4990   20.180   7.4278   10.213   50.457   25.785   53.107   25.511 -2.650166 36.27267 
1 1 1  -13   28    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   28    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   28    3 o   55.710   27.562 -10.9600   14.717 -10.9600   14.717   0.0000   0.0000   55.710   27.562  ?   ?  0.000000 27.56170 
1 1 1  -13   28    4 o   73.788   30.766   11.580   9.7720   11.580   9.7720   0.0000   0.0000   73.788   30.766  ?   ?  0.000000 30.76593 
1 1 1  -13   28    5 o  103.064   26.265   19.708   7.0323   22.452   9.8317   16.833   10.063   98.627   32.858   83.993   32.499 14.63380 46.21509 
1 1 1  -13   28    6 o   65.993   26.885   7.8726   7.2358  -1.1574   10.165   17.149   10.303   55.406   26.289   83.745   32.749 -28.33859 41.99539 
1 1 1  -13   28    7 o   62.434   26.003   6.4944   6.9699   0.2642   9.7687   12.955   9.9475   56.040   26.340   75.179   31.168 -19.13887 40.80706 
1 1 1  -13   28    8 o   97.800   31.946   22.007   9.3102   28.740   18.014   19.553   10.875   85.949   38.653   86.327   33.678 -0.3777695 51.26634 
1 1 1  -13   28    9 o   94.514   27.425   17.860   7.1082   33.670   17.727   14.831   7.7593   90.964   39.739   82.391   29.127 8.572716 49.27053 
1 1 1  -13   28   10 o   49.161   22.552   0.4308   6.5227  -7.1120   16.160   1.8989   7.1293   57.315   28.447   52.806   23.976 4.508739 37.20361 
1 1 1  -13   28   11 o  108.686   26.938   23.187   7.5458   30.490   18.753   21.776   8.2424   82.819   38.084   99.941   29.680 -17.12211 48.28392 
1 1 1  -13   28   12 o   52.139   23.651   2.1443   6.9161   2.7490   17.052   2.0253   7.5664   62.014   30.486   53.040   24.317 8.974072 38.99565 
1 1 1  -13   28   13 o   47.390   22.074  -0.2805   6.6087 -11.4300   15.751   2.1015   7.2806   53.223   26.672   52.289   23.928 0.9331589 35.83262 
1 1 1  -13   28   14 o   66.413   27.172   9.7375   7.4305  -2.1760   18.126   12.144   8.1465   58.540   29.228   70.966   28.666 -12.42639 40.93947 
1 1 1  -13   28   15 o   39.133   19.374  -9.2282   7.3197   0.5984   18.085 -11.1532   8.0046   58.958   29.398   39.569   19.702 19.38995 35.38982 
1 1 1  -13   28   16 o   47.810   22.522  -0.1130   7.2123   13.800   18.101  -2.7388   7.8635   64.681   31.718   46.061   22.192 18.62012 38.71022 
1 1 1  -13   28   17 o   68.828   27.627   11.785   7.5147   0.7741   17.080   14.428   8.3682   56.972   28.434   73.004   29.207 -16.03178 40.76166 
1 1 1  -13   28   18 o   50.032   23.244   2.1213   7.2515  -0.8133   15.597   2.9305   8.1906   54.755   27.302   52.202   24.402 2.553074 36.61790 
1 1 1  -13   28   19 o   92.910   32.910   26.546   9.9108   28.520   18.136   25.706   11.834   69.996   33.718   81.275   33.869 -11.27884 47.79160 
1 1 1  -13   28   20 o   56.223   26.285   6.6995   9.5076   10.380   17.086   5.0487   11.443   58.773   29.185   55.005   26.568 3.768452 39.46669 
1 1 1  -13   28   21 o  101.749   29.987   26.984   8.4399   37.340   18.611   24.303   9.4696   71.691   34.438   86.397   31.949 -14.70594 46.97586 
1 1 1  -13   28   22 o   84.112   29.667   20.754   8.0456   29.080   18.189   18.728   8.9709   65.034   31.871   74.120   30.032 -9.085548 43.79176 
1 1 1  -13   28   23 o   57.111   26.124   9.6096   8.6648   0.0000   0.0000   9.6096   8.6648  ?   ?    57.111   26.124 0.000000 26.12352 
1 1 1  -13   28   24 o   55.251   25.870   9.6267   9.2706   18.080   22.224   7.8459   10.201   54.668   27.861   52.951   25.452 1.716576 37.73619 
1 1 1  -13   28   25 o   50.342   23.843   6.3152   8.2863   35.640   20.193   0.3776   9.0865   58.974   29.643   45.047   22.166 13.92702 37.01369 
1 1 1  -13   29    1 o   60.373   26.819   5.6967   8.3933   11.927   10.303  -6.5980   14.473   70.748   30.606   55.466   27.421 15.28241 41.09314 
1 1 1  -13   29    2 o   56.809   25.642   3.7661   8.0137   1.8225   9.3634   9.0880   15.494   55.845   26.100   66.656   31.859 -10.81124 41.18552 
1 1 1  -13   29    3 o   56.572   25.431   3.8581   7.7884   3.1951   9.4416   5.2700   13.778   57.514   26.651   62.847   30.040 -5.333649 40.15835 
1 1 1  -13   29    4 o   58.539   25.238   5.4670   6.9580   2.8010   10.073   7.8999   9.6226   57.542   26.950   63.974   28.547 -6.431732 39.25909 
1 1 1  -13   29    5 o   55.946   24.624   4.2628   6.9196  -4.9408   9.8467   13.242   9.7258   49.419   24.051   72.678   30.525 -23.25854 38.86179 
1 1 1  -13   29    6 o   70.547   27.273   10.795   7.0822   7.8783   10.255   13.454   9.7926   63.455   28.790   72.586   30.566 -9.130825 41.98981 
1 1 1  -13   29    7 o   44.994   21.514  -3.0121   7.0803  -4.3172   9.8606  -1.6231   10.173   49.563   24.109   52.428   25.255 -2.865181 34.91457 
1 1 1  -13   29    8 o   50.827   23.168   1.8890   6.7402   2.8746   9.2046   0.7494   9.8973   55.621   25.956   54.044   25.729 1.576576 36.54710 
1 1 1  -13   29    9 o   62.164   27.411   7.9373   8.6119   1.2330   16.950   10.270   9.9986   59.408   29.425   65.545   29.185 -6.136974 41.44368 
1 1 1  -13   29   10 o   57.269   25.270   5.5696   7.3316  -3.6820   17.887   7.4379   8.0378   57.055   28.568   60.842   26.665 -3.786911 39.07870 
1 1 1  -13   29   11 o   82.145   28.574   16.178   7.4486   16.030   18.738   16.206   8.1176   66.154   32.405   79.538   29.547 -13.38409 43.85344 
1 1 1  -13   29   12 o   79.051   28.256   15.208   7.3217   21.220   17.712   13.969   8.0409   68.978   33.252   73.334   28.855 -4.355476 44.02608 
1 1 1  -13   29   13 o   65.015   26.992   10.191   7.4762 -29.6900   17.705   18.846   8.2476   46.924   23.994   84.414   30.009 -37.49023 38.42196 
1 1 1  -13   29   14 o   72.862   28.313   13.969   7.6630   22.520   18.837   12.274   8.3885   66.806   32.675   67.291   28.311 -0.4852142 43.23321 
1 1 1  -13   29   15 o   44.525   21.367  -1.7391   7.1249  -0.9596   18.620  -1.8728   7.7118   55.238   27.854   45.507   21.938 9.731159 35.45618 
1 1 1  -13   29   16 o   47.336   22.607   0.0761   7.7682  -7.0400   18.025   1.6994   8.6087   52.211   26.453   50.186   23.921 2.024498 35.66433 
1 1 1  -13   29   17 o   37.810   18.844  -9.2851   7.3919 -10.9300   16.000  -8.8388   8.3347   49.007   24.840   40.272   20.061 8.734455 31.92887 
1 1 1  -13   29   18 o   69.776   29.972   17.270   9.7434   9.8120   17.576   20.578   11.707   56.868   28.451   69.782   31.288 -12.91437 42.28966 
1 1 1  -13   29   19 o   49.868   23.981   2.6784   9.0797   20.450   17.310  -4.0678   10.665   60.870   30.073   46.131   22.933 14.73920 37.81917 
1 1 1  -13   29   20 o   45.617   21.805   0.9198   7.2610  -2.9640   16.975   1.7895   8.0330   49.978   25.359   47.418   22.737 2.560062 34.05941 
1 1 1  -13   29   21 o   65.144   28.271   15.659   8.8468   0.0000   0.0000   15.659   8.8468  ?   ?    65.144   28.271 0.000000 28.27125 
1 1 1  -13   29   22 o   58.703   27.396   14.439   10.257   0.0000   0.0000   14.439   10.257  ?   ?    58.703   27.396 0.000000 27.39611 
1 1 1  -13   29   23 o   45.552   22.267   2.0273   8.7111 -14.7900   18.515   6.8080   9.8720   44.461   22.850   49.875   24.228 -5.414436 33.30382 
1 1 1  -13   30    1 o   82.265   28.147   15.880   7.2151   17.343   10.558   14.598   9.8824   75.033   31.675   71.461   30.426 3.571831 43.92104 
1 1 1  -13   30    2 o   86.400   28.642   17.656   7.4739   11.144   10.457   24.458   10.686   65.222   29.379   88.683   33.696 -23.46085 44.70503 
1 1 1  -13   30    3 o   52.370   24.410   2.3208   8.1024   2.6238   9.5721   1.5550   15.217   54.299   25.690   57.331   28.301 -3.032536 38.22180 
1 1 1  -13   30    4 o   49.493   23.540  -0.0908   8.2446   1.3764   9.9219  -3.3640   14.819   53.189   25.442   54.205   26.960 -1.016701 37.06985 
1 1 1  -13   30    5 o   65.965   27.061   10.352   7.3944  -0.7938   10.244   22.477   10.685   51.363   24.888   83.235   33.100 -31.87118 41.41256 
1 1 1  -13   30    6 o   54.814   24.451   4.9420   7.0526   9.4937   10.193   0.7619   9.7682   62.040   28.362   52.011   24.975 10.02948 37.79053 
1 1 1  -13   30    7 o   54.843   24.553   5.0589   7.1801  -0.9232   10.287   10.742   10.027   50.835   24.703   63.426   28.651 -12.59047 37.83029 
1 1 1  -13   30    8 o  158.563   20.721   44.563   8.3070   36.654   11.497   53.201   12.016  108.842   35.498  147.425   32.353 -38.58327 48.02937 
1 1 1  -13   30    9 o   68.530   29.112   13.734   9.0100   31.170   18.692   8.4571   10.283   71.709   34.464   59.453   27.641 12.25521 44.17918 
1 1 1  -13   30   10 o   65.319   27.002   10.990   7.4352   17.510   18.750   9.7730   8.0993   62.840   31.093   61.942   26.966 0.8981857 41.15765 
1 1 1  -13   30   11 o   43.622   21.142  -2.7962   7.4014 -22.2100   16.529   2.0728   8.2777   46.450   23.705   50.253   23.809 -3.802971 33.59755 
1 1 1  -13   30   12 o   47.620   22.623   0.8448   7.5735   19.740   17.684  -3.3993   8.3810   62.986   30.979   44.592   21.807 18.39371 37.88456 
1 1 1  -13   30   13 o   42.552   20.716  -3.1936   7.3221 -24.2000   18.683   0.6185   7.9587   47.000   24.080   47.527   22.748 -0.5278168 33.12567 
1 1 1  -13   30   14 o   40.796   20.066  -5.0597   7.4232 -19.4500   18.365  -2.2493   8.1157   47.461   24.282   44.551   21.715 2.910019 32.57565 
1 1 1  -13   30   15 o   38.863   19.258  -6.7407   7.2917   13.700   18.224 -10.6370   7.9563   57.316   28.719   37.651   18.881 19.66457 34.36934 
1 1 1  -13   30   16 o   44.984   22.156  -2.4998   9.1511  -7.4450   17.180  -0.5409   10.813   48.896   24.879   48.021   23.733 0.8755569 34.38361 
1 1 1  -13   30   17 o   40.072   20.077  -8.6184   8.9018   4.1760   16.963 -13.4810   10.457   51.893   26.218   40.071   20.285 11.82155 33.14938 
1 1 1  -13   30   18 o   67.375   27.605   15.065   7.6831   18.200   16.112   14.142   8.7409   56.991   28.307   62.322   27.541 -5.330776 39.49423 
1 1 1  -13   30   19 o   55.331   25.754   10.430   8.9679   0.0000   0.0000   10.430   8.9679  ?   ?    55.331   25.754 0.000000 25.75356 
1 1 1  -13   30   20 o   39.391   19.883  -9.0978   9.6195   0.0000   0.0000  -9.0978   9.6195  ?   ?    39.391   19.883 0.000000 19.88305 
1 1 1  -13   30   21 f   49.551   23.808   7.4026   8.9049  -7.6630   18.729   11.803   10.122   45.020   23.127   52.992   25.440 -7.971954 34.38137 
1 1 1  -13   31    1 o   33.955   17.084 -12.8530   6.7929  -9.1526   9.2678 -17.1487   9.9855   42.137   21.016   39.240   19.860 2.896511 28.91517 
1 1 1  -13   31    2 o   62.693   26.575   10.195   7.4815   16.241   10.531   4.0349   10.630   68.041   30.142   53.720   25.862 14.32151 39.71576 
1 1 1  -13   31    3 o   64.840   26.710   11.054   7.2412   10.868   10.261   11.239   10.221   60.824   28.043   61.327   28.169 -0.5029297 39.74857 
1 1 1  -13   31    4 o  106.346   27.178   25.569   7.5147   30.917   11.219   21.217   10.121   91.779   34.608   77.233   31.668 14.54624 46.91018 
1 1 1  -13   31    5 o   67.596   28.728   14.254   8.7802   14.641   10.394   13.290   16.406   65.133   29.320   59.536   29.388 5.597073 41.51274 
1 1 1  -13   31    6 o   51.643   24.562   3.5730   8.9769   8.5394   10.642  -8.6810   16.716   57.210   27.074   49.879   25.293 7.331223 37.05038 
1 1 1  -13   31    7 f  105.118   27.246   25.540   7.4798   24.935   10.718   26.115   10.443   80.264   32.713   84.081   32.947 -3.816940 46.42867 
1 1 1  -13   31    8 o   58.066   25.696   8.6773   7.6343   6.5360   10.843   10.783   10.751   54.567   26.231   58.778   27.629 -4.211830 38.09782 
1 1 1  -13   31    9 f   37.559   18.661  -7.6630   7.0254 -10.5943   9.9988  -4.8048   9.8733   41.560   20.886   44.781   22.228 -3.221260 30.50067 
1 1 1  -13   31   10 f   47.497   23.017   0.7207   8.7670  -1.3770   16.087   1.6070   10.456   50.811   25.655   49.598   24.276 1.212372 35.32027 
1 1 1  -13   31   11 o   42.700   20.776  -2.0142   7.3361 -38.8900   17.500   5.8473   8.0803   41.633   21.427   52.389   24.405 -10.75618 32.47631 
1 1 1  -13   31   12 o   46.672   22.346   1.6347   7.6943   19.250   18.685  -1.9624   8.4434   57.574   28.880   44.116   21.639 13.45783 36.08767 
1 1 1  -13   31   13 o   56.331   25.384   9.1853   7.8145  -1.6400   18.842   11.434   8.5879   49.991   25.493   58.882   26.565 -8.891598 36.81827 
1 1 1  -13   31   14 o   57.886   26.951   12.551   9.8332   43.030   19.231   1.7610   11.442   65.792   32.349   48.321   23.976 17.47139 40.26538 
1 1 1  -13   31   15 o   55.728   26.936   13.360   11.813   15.430   17.536   11.640   15.984   53.838   27.134   52.776   26.506 1.062248 37.93194 
1 1 1  -13   31   16 o   55.856   26.021   11.786   9.1885   11.110   17.779   12.033   10.733   51.257   26.002   54.465   26.161 -3.208355 36.88463 
1 1 1  -13   31   17 o   41.191   20.521  -3.3516   8.7323   0.0000   0.0000  -3.3516   8.7323  ?   ?    41.191   20.521 0.000000 20.52111 
1 1 1  -13   31   18 o   43.727   21.805   0.0775   9.9567   0.0000   0.0000   0.0775   9.9567  ?   ?    43.727   21.805 0.000000 21.80514 
1 1 1  -13   31   19 o   50.778   24.293   10.262   9.0547  -2.2790   19.625   13.653   10.206   44.894   23.084   52.772   25.389 -7.878662 34.31417 
1 1 1  -13   32    1 o   56.453   25.037   8.4697   7.2865   9.5446   10.827   7.5797   9.8513   55.647   26.607   54.003   25.698 1.643963 36.99089 
1 1 1  -13   32    2 o   55.701   24.764   8.0523   7.1705   13.250   10.340   3.2378   9.9520   59.829   27.783   49.877   24.252 9.952011 36.87863 
1 1 1  -13   32    3 o   52.853   24.197   6.4950   7.4569   6.5009   10.508   6.4892   10.583   52.673   25.446   52.666   25.465 0.7381439E-02 35.99969 
1 1 1  -13   32    4 o   66.237   27.216   13.764   7.4945   10.928   10.632   16.564   10.566   56.583   26.859   63.095   28.856 -6.512238 39.42157 
1 1 1  -13   32    5 o   94.486   28.601   24.160   7.6000   21.594   10.963   26.533   10.545   68.566   30.543   78.553   32.281 -9.987572 44.44030 
1 1 1  -13   32    6 o   62.605   26.844   12.776   7.7909   16.849   10.744   8.2583   11.315   62.353   28.730   53.330   25.914 9.023472 38.68998 
1 1 1  -13   32    7 o   68.446   29.542   19.183   9.5539   17.465   11.318   23.440   17.819   61.538   28.739   58.294   29.085 3.244518 40.88887 
1 1 1  -13   32    8 o   42.350   20.991  -3.5647   8.6846 -13.4842   10.578   16.950   15.212   39.605   20.087   56.380   27.916 -16.77439 34.39186 
1 1 1  -13   32    9 o   42.618   20.759  -0.8191   7.3833   6.8836   10.567  -8.1660   10.320   51.180   24.909   41.458   20.884 9.721584 32.50589 
1 1 1  -13   32   10 o   37.153   18.808 -12.5069   8.9900 -13.9100   17.788 -12.0255   10.418   44.993   23.081   39.531   20.037 5.462040 30.56542 
1 1 1  -13   32   11 o   39.742   19.728  -4.2647   7.7812 -15.0700   18.557  -1.9595   8.5711   44.671   22.953   42.490   21.024 2.180557 31.12596 
1 1 1  -13   32   12 o   40.438   20.265  -5.4708   9.0915  -5.9000   18.726  -5.3385   10.399   46.133   23.667   41.941   21.107 4.192104 31.71183 
1 1 1  -13   32   13 f   41.816   21.241  -8.0847   12.150 -24.6400   17.923   5.9910   16.527   41.563   21.405   48.208   24.517 -6.645542 32.54610 
1 1 1  -13   32   14 o   40.236   20.184  -4.4340   9.1293  -5.5610   17.735  -4.0277   10.649   44.649   22.915   41.840   21.094 2.808224 31.14566 
1 1 1  -13   32   15 o   49.999   24.017   9.4250   9.0491   0.0000   0.0000   9.4250   9.0491  ?   ?    49.999   24.017 0.000000 24.01692 
1 1 1  -13   32   16 o   79.322   31.908   33.072   10.047 -10.3400   22.778   43.559   11.195   43.387   22.415   89.798   34.401 -46.41084 41.05911 
1 1 1  -13   32   17 o   64.380   28.004   21.623   8.7198   23.060   20.647   21.311   9.6198   47.638   24.465   59.822   27.423 -12.18373 36.75015 
1 1 1  -13   33    1 o   35.516   17.823  -8.4591   7.1507  -3.5947   10.142 -13.2683   10.084   42.770   21.429   38.075   19.342 4.694241 28.86746 
1 1 1  -13   33    2 o   51.270   23.796   7.5365   7.5708  -1.9599   10.933   16.286   10.494   44.196   22.159   58.283   27.364 -14.08640 35.21114 
1 1 1  -13   33    3 o   49.952   23.314   6.6322   7.4307   5.5689   10.580   7.6674   10.439   48.531   23.888   50.108   24.468 -1.576611 34.19530 
1 1 1  -13   33    4 o   60.951   26.412   13.830   7.6984   3.3331   10.805   24.652   10.971   46.881   23.267   66.592   30.036 -19.71102 37.99356 
1 1 1  -13   33    5 o   47.418   22.465   4.9790   7.3678   11.112   10.697  -0.5574   10.163   52.257   25.347   44.002   21.956 8.255177 33.53445 
1 1 1  -13   33    6 o   43.104   20.983   1.1582   7.5091   6.5619   10.853  -3.8043   10.400   48.453   23.915   42.165   21.205 6.288120 31.96172 
1 1 1  -13   33    7 o   42.055   20.586   0.2733   7.5244   3.4621   10.294  -3.3845   11.025   46.007   22.813   42.583   21.468 3.424431 31.32574 
1 1 1  -13   33    8 f   35.937   18.067  -7.6914   7.5164   1.4332   10.504 -17.2681   10.761   44.474   22.212   36.601   18.715 7.873016 29.04506 
1 1 1  -13   33    9 o   49.056   23.763   8.4371   9.3215   5.3229   11.311   15.030   16.457   46.435   23.169   49.550   25.123 -3.115780 34.17561 
1 1 1  -13   33   10 o   52.606   25.980   18.219   12.877   20.180   19.279   16.640   17.302   49.375   25.230   49.107   24.985 0.2678604 35.50770 
1 1 1  -13   33   11 o   43.070   21.500   1.7608   9.7898   0.0000   0.0000   1.7608   9.7898  ?   ?    43.070   21.500 0.000000 21.50027 
1 1 1  -13   33   12 o   37.326   19.076 -12.3077   11.058   0.0000   0.0000 -12.3077   11.058  ?   ?    37.326   19.076 0.000000 19.07599 
1 1 1  -13   33   13 o   45.934   22.701   8.1873   9.8894   0.0000   0.0000   8.1873   9.8894  ?   ?    45.934   22.701 0.000000 22.70080 
1 1 1  -13   33   14 o   38.727   19.783  -6.5916   11.767 -30.5000   18.852   8.6680   15.061   37.831   19.592   44.075   22.504 -6.244759 29.83719 
1 1 1  -13   34    1 o   45.823   22.057   6.0448   7.7256   6.9112   10.872   5.1613   10.980   45.797   22.829   44.802   22.425 0.9945183 32.00094 
1 1 1  -13   34    2 o   39.525   19.561  -0.6331   7.4350  -9.0650   10.503   7.8371   10.527   37.997   19.345   46.327   22.988 -8.329697 30.04469 
1 1 1  -13   34    3 o   37.905   18.950  -3.1833   7.7331 -21.3603   10.690   16.771   11.200   34.163   17.547   51.774   25.296 -17.61119 30.78576 
1 1 1  -13   34    4 o   48.543   23.016   8.9404   7.7643   3.0440   10.913   14.985   11.049   43.229   21.737   50.348   24.707 -7.118923 32.90858 
1 1 1  -13   34    5 o   44.061   21.316   4.9621   7.4402   0.9592   10.373   9.2032   10.677   41.811   21.046   46.426   23.057 -4.615032 31.21783 
1 1 1  -13   34    6 o   32.855   16.663  -9.9987   7.2755 -16.8156   10.507  -3.7194   10.084   34.832   17.860   39.191   19.849 -4.359226 26.70091 
1 1 1  -13   34    7 o   45.649   22.767   9.3669   10.873   0.0000   0.0000   9.3669   10.873  ?   ?    45.649   22.767 0.000000 22.76719 
1 1 1  -13   34    8 o   43.234   22.251   7.2210   18.875   0.0000   0.0000   7.2210   18.875  ?   ?    43.234   22.251 0.000000 22.25119 
1 1 1  -13   34    9 o   40.032   20.576  -4.5690   15.071  -4.5690   15.071   0.0000   0.0000   40.032   20.576  ?   ?  0.000000 20.57596 
1 1 1  -13   34   10 o   39.065   19.680   0.0315   9.1734   5.8517   10.797 -15.0700   17.392   42.242   21.290   38.381   19.821 3.861282 29.08829 
1 1 1  -12    0    1 o  589.520   12.724  451.381   19.409  451.381   19.409  451.381   19.409  589.520   12.724  589.520   12.724 0.000000 0.000000 
1 1 1  -12    0    2 o  934.318   15.697  1134.03   37.964  1134.03   37.964  1134.03   37.964  934.318   15.697  934.318   15.697 0.000000 0.000000 
1 1 1  -12    0    3 o  436.964   12.309  248.215   13.907  248.215   13.907  248.215   13.907  436.964   12.309  436.964   12.309 0.000000 0.000000 
1 1 1  -12    0    4 o  408.304   12.233  216.791   12.911  216.791   12.911  216.791   12.911  408.304   12.233  408.304   12.233 0.000000 0.000000 
1 1 1  -12    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0    9 o  346.983   13.342  156.917   11.951  156.917   11.951  156.917   11.951  346.983   13.342  346.983   13.342 0.000000 0.000000 
1 1 1  -12    0   10 o  415.553   13.060  224.740   14.026  224.740   14.026  224.740   14.026  415.553   13.060  415.553   13.060 0.000000 0.000000 
1 1 1  -12    0   11 o  210.585   16.522   58.669   8.8847   58.669   8.8847   58.669   8.8847  210.585   16.522  210.585   16.522 0.000000 0.000000 
1 1 1  -12    0   12 o  230.931   15.951   70.271   9.4371   70.271   9.4371   70.271   9.4371  230.931   15.951  230.931   15.951 0.000000 0.000000 
1 1 1  -12    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0   16 o   73.193   34.973   10.385   7.6084   10.385   7.6084   10.385   7.6084   73.193   34.973   73.193   34.973 0.000000 0.000000 
1 1 1  -12    0   17 o  656.248   14.478  560.948   24.585  560.948   24.585  560.948   24.585  656.248   14.478  656.248   14.478 0.000000 0.000000 
1 1 1  -12    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0   19 o  180.683   20.761   44.378   9.3839   44.378   9.3839   44.378   9.3839  180.683   20.761  180.683   20.761 0.000000 0.000000 
1 1 1  -12    0   20 o   81.011   36.494   12.698   8.2065   12.698   8.2065   12.698   8.2065   81.011   36.494   81.011   36.494 0.000000 0.000000 
1 1 1  -12    0   21 o  399.645   14.387  209.116   14.850  209.116   14.850  209.116   14.850  399.645   14.387  399.645   14.387 0.000000 0.000000 
1 1 1  -12    0   22 o  529.880   14.436  367.376   19.782  367.376   19.782  367.376   19.782  529.880   14.436  529.880   14.436 0.000000 0.000000 
1 1 1  -12    0   23 o   65.903   36.020   8.4866   8.7688   8.4866   8.7688   8.4866   8.7688   65.903   36.020   65.903   36.020 0.000000 0.000000 
1 1 1  -12    0   24 o  182.155   22.462   45.849   10.166   45.849   10.166   45.849   10.166  182.155   22.462  182.155   22.462 0.000000 0.000000 
1 1 1  -12    0   25 o   76.028   43.864   11.220   13.933   11.220   13.933   11.220   13.933   76.028   43.864   76.028   43.864 0.000000 0.000000 
1 1 1  -12    0   26 o  132.717   29.757   26.877   8.9310   26.877   8.9310   26.877   8.9310  132.717   29.757  132.717   29.757 0.000000 0.000000 
1 1 1  -12    0   27 o  286.085   16.618  108.991   12.220  108.991   12.220  108.991   12.220  286.085   16.618  286.085   16.618 0.000000 0.000000 
1 1 1  -12    0   28 o  204.612   20.814   57.582   10.770   57.582   10.770   57.582   10.770  204.612   20.814  204.612   20.814 0.000000 0.000000 
1 1 1  -12    0   29 o  129.957   32.567   27.087   9.4831   27.087   9.4831   27.087   9.4831  129.957   32.567  129.957   32.567 0.000000 0.000000 
1 1 1  -12    0   30 o   73.229   37.105   11.643   8.7719   11.643   8.7719   11.643   8.7719   73.229   37.105   73.229   37.105 0.000000 0.000000 
1 1 1  -12    0   31 o   62.358   36.128   8.0500   9.5142   8.0500   9.5142   8.0500   9.5142   62.358   36.128   62.358   36.128 0.000000 0.000000 
1 1 1  -12    0   32 o   76.408   37.104   12.875   8.6020   12.875   8.6020   12.875   8.6020   76.408   37.104   76.408   37.104 0.000000 0.000000 
1 1 1  -12    0   33 o  149.396   30.974   35.291   10.575   35.291   10.575   35.291   10.575  149.396   30.974  149.396   30.974 0.000000 0.000000 
1 1 1  -12    0   34 o   58.562   39.116   1.9280   16.283   1.9280   16.283   1.9280   16.283   58.562   39.116   58.562   39.116 0.000000 0.000000 
1 1 1  -12    0   35 f  334.316   17.547  153.354   15.100  153.354   15.100  153.354   15.100  334.316   17.547  334.316   17.547 0.000000 0.000000 
1 1 1  -12    0   36 o  110.710   39.799   25.030   10.445   25.030   10.445   25.030   10.445  110.710   39.799  110.710   39.799 0.000000 0.000000 
1 1 1  -12    0   37 o   67.362   38.972   12.310   11.047   12.310   11.047   12.310   11.047   67.362   38.972   67.362   38.972 0.000000 0.000000 
1 1 1  -12    0   38 o   87.942   43.352   21.388   11.816   21.388   11.816   21.388   11.816   87.942   43.352   87.942   43.352 0.000000 0.000000 
1 1 1  -12    0   39 o  113.343   42.882   29.960   11.807   29.960   11.807   29.960   11.807  113.343   42.882  113.343   42.882 -0.000000 0.000000 
1 1 1  -12    0   40 o   93.530   43.277   24.487   11.573   24.487   11.573   24.487   11.573   93.530   43.277   93.530   43.277 0.000000 0.000000 
1 1 1  -12    0   41 o   46.152   31.259   2.3829   11.094   2.3829   11.094   2.3829   11.094   46.152   31.259   46.152   31.259 0.000000 0.000000 
1 1 1  -12    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    0   43 o   70.499   40.373   19.783   11.667   19.783   11.667   19.783   11.667   70.499   40.373   70.499   40.373 0.000000 0.000000 
1 1 1  -12    1    1 o  1331.20   14.010  2302.25   48.310  2219.04   66.003  2398.27   70.899  1305.03   19.525  1356.43   20.179 -51.40295 28.07870 
1 1 1  -12    1    2 o  1008.24   11.612  1319.40   30.327  1283.82   41.984  1358.22   43.855  993.518   16.314  1021.83   16.569 -28.31409 23.25213 
1 1 1  -12    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    1    4 o  342.946   16.460  153.000   14.622  153.000   14.622   0.0000   0.0000  342.946   16.460  ?   ?  0.000000 16.46009 
1 1 1  -12    1    5 o  402.020   10.400  209.701   10.830  213.716   13.141  201.200   19.121  405.688   12.505  392.986   18.783 12.70163 22.56529 
1 1 1  -12    1    6 o  563.010   10.812  411.361   15.767  429.000   28.274  403.400   18.995  573.751   19.025  557.267   13.159 16.48419 23.13221 
1 1 1  -12    1    7 o  296.826   9.4650  114.291   7.2774  111.017   10.254  117.614   10.330  292.300   13.543  300.881   13.254 -8.580383 18.94956 
1 1 1  -12    1    8 o  437.257   9.1747  248.009   10.392  250.642   14.851  245.483   14.545  439.224   13.053  434.694   12.918 4.530090 18.36466 
1 1 1  -12    1    9 o  511.478   9.3297  339.391   12.361  337.798   17.543  340.962   17.419  509.838   13.284  512.240   13.128 -2.402588 18.67632 
1 1 1  -12    1   10 o  575.106   13.366  429.913   19.911   0.0000   0.0000  429.913   19.911  ?   ?   575.106   13.366 0.000000 13.36598 
1 1 1  -12    1   11 o  512.588   9.4544  340.944   12.553  334.983   17.701  346.975   17.805  507.591   13.463  516.620   13.305 -9.028717 18.92815 
1 1 1  -12    1   12 o  371.451   9.7108  179.082   9.3434  177.905   13.091  180.304   13.340  369.841   13.665  372.307   13.832 -2.466492 19.44389 
1 1 1  -12    1   13 o  728.588   10.271  689.283   19.384  681.701   27.249  697.050   27.580  723.641   14.537  731.738   14.551 -8.097839 20.56821 
1 1 1  -12    1   14 o  369.060   9.7858  176.852   9.3550  181.211   13.347  172.643   13.116  373.115   13.810  364.174   13.904 8.940857 19.59684 
1 1 1  -12    1   15 o  227.030   23.683   68.530   13.723   68.530   13.723   0.0000   0.0000  227.030   23.683  ?   ?  0.000000 23.68325 
1 1 1  -12    1   16 o  442.218   9.7693  254.043   11.190  245.129   15.890  262.814   15.762  433.672   14.146  449.161   13.547 -15.48904 19.58646 
1 1 1  -12    1   17 o  499.801   9.7797  324.627   12.661  329.098   18.126  320.367   17.693  502.358   13.929  495.686   13.780 6.671814 19.59370 
1 1 1  -12    1   18 o  558.523   9.9419  405.619   14.383  414.427   20.646  397.312   20.050  563.417   14.146  551.696   14.030 11.72083 19.92394 
1 1 1  -12    1   19 o  542.080   9.9209  382.284   13.930  391.577   20.035  373.587   19.383  547.377   14.130  534.701   13.994 12.67572 19.88721 
1 1 1  -12    1   20 o  246.968   11.631   79.545   7.4407   74.622   10.605   84.317   10.442  237.597   17.352  253.001   16.016 -15.40361 23.61366 
1 1 1  -12    1   21 o  108.040   21.852   16.058   5.9054   19.445   8.2857   12.561   8.4190  117.722   27.644   96.077   30.286 21.64575 41.00476 
1 1 1  -12    1   22 o  193.584   14.430   49.453   7.1836   39.253   10.213   59.440   10.106  169.489   23.929  211.079   18.676 -41.58978 30.35446 
1 1 1  -12    1   23 o  271.601   12.006   96.529   8.4465   89.952   11.960  103.075   11.931  260.002   17.866  278.898   16.589 -18.89645 24.38068 
1 1 1  -12    1   24 o  105.585   25.626   15.749   6.9378   22.120   11.315   11.911   8.7822  123.073   34.243   93.652   31.048 29.42078 46.22277 
1 1 1  -12    1   25 o  161.517   39.220   39.530   16.245   39.530   16.245   0.0000   0.0000  161.517   39.220  ?   ?  0.000000 39.22011 
1 1 1  -12    1   26 o  205.329   13.903   55.846   7.3508   61.496   10.250   49.863   10.547  213.643   18.711  190.924   21.713 22.71867 28.66293 
1 1 1  -12    1   27 o  176.825   15.521   41.818   7.0370   41.678   10.005   41.956   9.8998  173.441   22.824  174.199   22.463 -0.7583008 32.02353 
1 1 1  -12    1   28 f  142.557   18.967   27.853   6.8300   42.068   9.7959   14.406   9.5279  174.046   22.237   99.419   32.310 74.62634 39.22242 
1 1 1  -12    1   29 o  187.787   14.888   47.290   7.1824   42.792   9.9818   52.119   10.343  174.774   22.576  194.098   20.901 -19.32413 30.76594 
1 1 1  -12    1   30 o  119.315   22.003   20.265   6.5496   16.529   9.2056   24.095   9.3207  104.030   31.474  126.580   29.043 -22.55010 42.82694 
1 1 1  -12    1   31 o  155.663   18.252   33.480   7.2198   30.214  10.0000   37.035   10.434  141.937   28.194  158.859   26.275 -16.92244 38.53918 
1 1 1  -12    1   32 o   57.498   24.480   1.3029   6.3962   2.4378   9.2403   0.2587   8.8627   68.446   29.289   63.551   27.922 4.894608 40.46576 
1 1 1  -12    1   33 o  114.733   24.365   19.566   7.0175   26.141   9.7998   12.647   10.054  129.235   29.872   91.221   33.047 38.01368 44.54735 
1 1 1  -12    1   34 o   99.194   36.662   16.261   12.466   11.640   17.831   20.680   17.436   94.522   40.573  107.561   42.437 -13.03933 58.71167 
1 1 1  -12    1   35 o   93.996   28.198   14.032   7.4120   18.287   10.632   10.010   10.338  103.423   34.157   83.521   32.765 19.90136 47.33086 
1 1 1  -12    1   36 o   80.898   28.957   10.129   7.6922   23.291   11.002  -2.4562   10.759  114.650   34.347   62.723   28.844 51.92683 44.85199 
1 1 1  -12    1   37 o   46.653   22.168  -6.2762   7.2794  -1.3762   9.8541 -12.1621   10.800   60.985   27.882   52.302   25.392 8.682209 37.71152 
1 1 1  -12    1   38 o  170.756   20.490   43.275   8.8821   50.586   12.825   36.535   12.313  173.830   29.539  141.527   34.011 32.30270 45.04750 
1 1 1  -12    1   39 o  125.379   28.461   26.823   9.0318   29.950   12.802   23.723   12.744  120.246   37.257  105.598   37.328 14.64777 52.73948 
1 1 1  -12    1   40 o  111.913   30.547   22.970   9.1030   27.917   12.790   17.894   12.958  112.936   37.471   91.254   36.400 21.68140 52.24016 
1 1 1  -12    1   41 o   66.924   27.935   6.3147   8.0695 -12.6980   11.022   28.276   11.846   50.180   24.636  114.577   35.895 -64.39658 43.53598 
1 1 1  -12    1   42 o   89.934   39.308   23.160   17.362   23.160   17.362   0.0000   0.0000   89.934   39.308  ?   ?  0.000000 39.30789 
1 1 1  -12    1   43 o   71.295   29.740   9.6023   9.1375  -1.6054   12.859   21.033   12.986   60.294   28.873   88.995   36.108 -28.70104 46.23264 
1 1 1  -12    2    1 o  679.645   13.433  599.981   23.649   0.0000   0.0000  599.981   23.649  ?   ?   679.645   13.433 0.000000 13.43300 
1 1 1  -12    2    2 o  347.244   8.5157  156.350   7.6595  156.293   10.834  156.406   10.830  346.977   12.055  347.104   12.045 -0.1265564 17.04128 
1 1 1  -12    2    3 o  655.198   9.5230  556.810   16.162  572.766   23.418  542.299   22.333  664.008   13.616  646.144   13.344 17.86340 19.06399 
1 1 1  -12    2    4 o  670.409   13.415  583.840   23.296  583.500   32.473  584.200   33.440  669.270   18.731  669.556   19.281 -0.2860107 26.88141 
1 1 1  -12    2    5 o  667.981   13.607  579.707   23.543   0.0000   0.0000  579.707   23.543  ?   ?   667.981   13.607 0.000000 13.60676 
1 1 1  -12    2    6 o  521.497   13.280  353.309   17.940  372.100   26.586  337.600   24.308  534.293   19.210  509.050   18.434 25.24295 26.62406 
1 1 1  -12    2    7 o  323.798   13.077  136.208   10.968   0.0000   0.0000  136.208   10.968  ?   ?   323.798   13.077 0.000000 13.07673 
1 1 1  -12    2    8 o  695.977   9.9369  628.508   17.914  631.835   25.448  625.241   25.222  697.167   14.092  693.529   14.040 3.638062 19.89234 
1 1 1  -12    2    9 o  821.944   15.095  878.884   32.139   0.0000   0.0000  878.884   32.139  ?   ?   821.944   15.095 0.000000 15.09519 
1 1 1  -12    2   10 o  737.986   10.236  706.885   19.567  688.829   27.254  726.093   28.111  727.725   14.458  747.135   14.525 -19.40985 20.49448 
1 1 1  -12    2   11 o  331.818   9.8211  142.897   8.4413  132.590   11.717  154.019   12.171  319.267   14.169  344.154   13.653 -24.88718 19.67617 
1 1 1  -12    2   12 f  286.486   15.010  107.138   11.100   0.0000   0.0000  107.138   11.100  ?   ?   286.486   15.010 0.000000 15.00998 
1 1 1  -12    2   13 o  295.116   10.501  113.107   8.0275  111.554   11.273  114.705   11.434  292.300   14.939  296.411   14.940 -4.110992 21.12729 
1 1 1  -12    2   14 o  567.064   11.059  417.836   16.245  414.900   27.558  419.399   20.110  563.307   18.887  567.633   13.677 -4.325500 23.31895 
1 1 1  -12    2   15 o  880.041   15.933  1010.52   36.320  1010.52   36.320   0.0000   0.0000  880.041   15.933  ?   ?  0.000000 15.93269 
1 1 1  -12    2   16 o  272.076   13.472   96.436   9.4943   93.070   17.576   97.823   11.282  263.996   26.042  273.241   16.010 -9.244293 30.56924 
1 1 1  -12    2   17 o  232.402   12.046   70.504   7.2269   69.666   10.311   71.312   10.132  230.031   17.435  232.857   16.913 -2.826431 24.29056 
1 1 1  -12    2   18 o  547.583   9.9678  389.921   14.138  371.256   19.813  409.287   20.181  533.164   14.346  559.945   13.914 -26.78156 19.98539 
1 1 1  -12    2   19 o  485.409   9.8998  306.549   12.448  298.016   17.660  314.974   17.547  477.441   14.280  490.990   13.797 -13.54877 19.85647 
1 1 1  -12    2   20 f   95.708   23.647   12.680   5.8283   15.011   8.1569   10.248   8.3306  103.826   29.140   89.329   30.246 14.49678 41.99949 
1 1 1  -12    2   21 o  290.789   11.299  110.341   8.5111  107.573   11.995  113.147   12.078  285.529   16.286  292.956   15.977 -7.426697 22.81432 
1 1 1  -12    2   22 o  467.393   10.213  284.881   12.365  292.481   17.520  277.337   17.454  472.028   14.329  459.500   14.665 12.52817 20.50284 
1 1 1  -12    2   23 o  280.704   11.652  103.058   8.4724  109.632   12.328   97.174   11.663  287.618   16.618  270.693   16.716 16.92502 23.57038 
1 1 1  -12    2   24 o  343.101   12.453  154.339   11.068  160.400   18.037  150.679   14.017  345.816   20.224  337.664   16.026 8.152008 25.80341 
1 1 1  -12    2   25 o  294.766   16.561  115.552   12.594  117.800   20.553  114.200   15.936  291.058   27.591  290.564   21.322 0.4942932 34.86966 
1 1 1  -12    2   26 o  296.076   11.624  115.009   8.9149  116.146   12.626  113.879   12.589  295.158   16.581  292.194   16.703 2.963928 23.53554 
1 1 1  -12    2   27 o   67.981   25.404   5.1954   6.0181   9.2155   8.6829   1.4787   8.3488   84.883   30.718   66.090   28.047 18.79332 41.59615 
1 1 1  -12    2   28 o  279.607   12.016  103.009   8.7030  105.879   12.330  100.159   12.286  280.610   17.043  272.633   17.490 7.977356 24.42093 
1 1 1  -12    2   29 o  157.439   17.335   33.755   6.9524   43.337   9.9448   24.594   9.7234  175.984   22.317  128.141   29.849 47.84280 37.26962 
1 1 1  -12    2   30 o  140.608   18.424   27.297   6.5489   25.030   9.0261   29.816   9.5164  129.782   27.693  142.528   26.759 -12.74559 38.50915 
1 1 1  -12    2   31 o   77.278   27.251   8.2040   6.7883   2.6516   9.4639   14.088   9.7424   69.852   29.759   96.228   32.708 -26.37621 44.22024 
1 1 1  -12    2   32 o  207.984   14.701   58.489   7.8688   52.748   11.459   63.612   10.825  191.296   23.627  213.383   19.810 -22.08641 30.83307 
1 1 1  -12    2   33 o   66.573   27.477   3.7794   7.6814   16.580   11.780  -5.6888   10.131  100.929   35.866   58.680   27.333 42.24868 45.09384 
1 1 1  -12    2   34 o  321.754   19.658  145.652   16.305  141.100   23.765  149.700   22.412  299.703   31.063  314.103   27.834 -14.40036 41.70910 
1 1 1  -12    2   35 o   81.465   28.441   10.097   7.3829   10.659   10.056   9.4404   10.874   84.608   32.557   82.800   33.234 1.808571 46.52394 
1 1 1  -12    2   36 o  144.343   22.770   31.105   8.2315   32.484   11.354   29.576   11.950  138.647   32.228  129.059   34.906 9.587936 47.50845 
1 1 1  -12    2   37 o   59.693   25.911   1.8614   7.4347 -18.7202   10.959   19.411   10.120   47.934   23.727  103.716   33.258 -55.78233 40.85440 
1 1 1  -12    2   38 o   81.350   29.021   11.055   7.7197   13.102   10.247   8.3682   11.740   86.085   32.927   77.654   33.115 8.430801 46.69884 
1 1 1  -12    2   39 o  116.923   26.564   22.730   7.8623   29.482   10.204   12.866   12.334  128.409   31.026   84.016   34.758 44.39275 46.59073 
1 1 1  -12    2   40 o   83.239   28.799   12.380   7.5615   1.6589   11.356   20.918   10.135   65.241   29.866  102.594   33.322 -37.35331 44.74738 
1 1 1  -12    2   41 o  139.893   25.288   32.556   8.8261   36.674   12.596   28.583   12.371  132.761   35.806  113.171   36.819 19.58945 51.35826 
1 1 1  -12    2   42 f   71.764   33.811   5.7910   16.266   5.7910   16.266   0.0000   0.0000   71.764   33.811  ?   ?  0.000000 33.81068 
1 1 1  -12    2   43 o   84.364   30.067   14.840   8.2846   18.495   11.015   10.078   12.571   87.528   33.963   72.261   32.410 15.26618 46.94569 
1 1 1  -12    3    1 o  1061.66   11.999  1463.23   32.998  1385.85   44.665  1556.21   48.964  1032.07   16.708  1093.49   17.287 -61.42175 24.04096 
1 1 1  -12    3    2 o  545.127   12.608  385.879   17.804   0.0000   0.0000  385.879   17.804  ?   ?   545.127   12.608 0.000000 12.60845 
1 1 1  -12    3    3 o  715.574   13.644  665.236   25.290  689.100   36.247  642.600   35.302  727.183   19.243  702.182   19.409 25.00061 27.33127 
1 1 1  -12    3    4 o  573.453   12.959  427.121   19.249   0.0000   0.0000  427.121   19.249  ?   ?   573.453   12.959 0.000000 12.95851 
1 1 1  -12    3    5 f  634.442   13.444  522.954   22.095   0.0000   0.0000  522.954   22.095  ?   ?   634.442   13.444 0.000000 13.44449 
1 1 1  -12    3    6 o  226.712   16.229   67.218   9.4674   87.150   15.670   55.760   11.881  257.042   23.805  205.331   22.719 51.71150 32.90644 
1 1 1  -12    3    7 o  408.654   9.1231  216.620   9.6572  217.278   13.773  215.982   13.544  408.953   13.002  407.749   12.824 1.204071 18.26204 
1 1 1  -12    3    8 o  294.861   9.6351  112.804   7.3591  103.454   10.304  122.538   10.513  282.090   14.102  307.079   13.217 -24.98898 19.32780 
1 1 1  -12    3    9 o  341.407   9.3551  151.225   8.2732  151.135   11.700  151.316   11.700  341.006   13.245  341.212   13.238 -0.2056274 18.72665 
1 1 1  -12    3   10 o  421.336   9.4527  230.352   10.317  230.144   14.600  230.559   14.580  420.749   13.396  421.132   13.365 -0.3830261 18.92313 
1 1 1  -12    3   11 o  378.623   13.806  186.451   13.540   0.0000   0.0000  186.451   13.540  ?   ?   378.623   13.806 0.000000 13.80596 
1 1 1  -12    3   12 f  534.843   9.6948  371.310   13.431  374.170   19.106  368.516   18.885  536.298   13.754  532.240   13.698 4.057556 19.41141 
1 1 1  -12    3   13 o  527.431   9.6249  361.136   13.150  346.622   18.383  376.344   18.817  516.093   13.751  537.811   13.508 -21.71741 19.27556 
1 1 1  -12    3   14 o  230.436   15.426   69.527   9.1549   70.720   12.099   67.930   14.003  231.490   20.385  225.952   24.307 5.538406 31.72355 
1 1 1  -12    3   15 o  316.234   12.098  130.091   9.9099  133.530   12.193  123.400   17.009  320.051   14.708  305.796   21.612 14.25439 26.14179 
1 1 1  -12    3   16 o  312.481   12.596  127.133   10.195  164.200   20.307  114.640   11.789  352.466   22.358  295.949   15.432 56.51617 27.16629 
1 1 1  -12    3   17 o  220.878   12.516   63.754   7.1318   65.943   10.068   61.550   10.104  223.713   17.513  215.930   18.236 7.783142 25.28341 
1 1 1  -12    3   18 o  282.294   11.201  103.755   8.1908  107.129   11.656  100.464   11.512  285.681   15.813  276.545   16.141 9.135406 22.59635 
1 1 1  -12    3   19 o  186.108   14.312   45.556   6.8464   49.926   9.6977   41.214   9.6669  193.636   19.605  175.167   21.775 18.46944 29.30023 
1 1 1  -12    3   20 f  436.714   10.084  248.361   11.407  261.427   16.531  236.484   15.761  446.833   14.283  424.970   14.318 21.86246 20.22388 
1 1 1  -12    3   21 o  269.530   11.682   94.865   8.1561   92.503   11.432   97.314   11.640  264.505   16.772  271.364   16.639 -6.859528 23.62580 
1 1 1  -12    3   22 o  225.060   13.355   66.615   7.7505   67.603   10.827   65.577   11.100  225.095   18.739  221.384   19.558 3.711365 27.08627 
1 1 1  -12    3   23 o   54.021   23.326  -0.2734   5.9615   2.1221   8.2450  -2.8977   8.6297   67.945   28.289   60.175   26.930 7.769772 39.05769 
1 1 1  -12    3   24 o  184.191   20.775   45.980   9.7389   40.120   12.393   55.440   15.747  168.198   29.522  197.025   31.949 -28.82643 43.50089 
1 1 1  -12    3   25 o  104.763   32.343   15.747   9.6577   23.620   16.522   11.660   11.903  125.830   42.595   96.563   35.798 29.26738 55.64027 
1 1 1  -12    3   26 o  185.472   14.958   45.804   7.1251   38.044   9.9597   53.938   10.197  165.391   23.945  199.314   20.022 -33.92273 31.21250 
1 1 1  -12    3   27 o  174.490   15.705   40.792   7.0221   45.706   9.8521   35.717   10.011  182.371   21.254  159.143   25.119 23.22804 32.90487 
1 1 1  -12    3   28 o  196.676   14.627   51.669   7.3984   53.332   10.614   50.097   10.318  196.658   21.169  190.487   21.275 6.170258 30.01290 
1 1 1  -12    3   29 o  235.770   13.006   73.879   7.9122   76.607   11.259   71.217   11.121  237.074   18.480  228.223   18.985 8.850586 26.49443 
1 1 1  -12    3   30 o  127.668   21.120   23.022   6.7402   31.118   9.6350   15.263   9.4323  145.716   26.503  100.097   32.110 45.61948 41.63512 
1 1 1  -12    3   31 o  115.345   24.433   19.530   7.0730   20.405   9.9205   18.625   10.087  113.746   32.210  108.496   32.974 5.249947 46.09519 
1 1 1  -12    3   32 o  117.081   24.220   20.220   7.1031   16.026   10.068   24.377   10.023  100.500   33.240  124.258   31.188 -23.75872 45.58015 
1 1 1  -12    3   33 o  133.697   25.888   26.837   8.6414   22.630   13.243   29.956   11.404  114.159   38.138  135.999   32.761 -21.83971 50.27686 
1 1 1  -12    3   34 o  126.165   34.004   26.765   11.364   28.350   18.304   25.770   14.497  119.727   44.390  118.446   39.902 1.281044 59.68741 
1 1 1  -12    3   35 o   76.918   27.721   8.6781   7.0607   7.4211   9.4104   10.297   10.680   76.642   30.862   84.187   33.214 -7.545319 45.33955 
1 1 1  -12    3   36 o  117.315   25.389   21.431   7.4914   31.904   10.827   11.814   10.376  138.467   30.964   85.977   33.075 52.48986 45.30678 
1 1 1  -12    3   37 o  116.830   26.499   21.953   7.8348   27.669   12.007   17.715   10.339  121.210   35.779   98.617   33.695 22.59342 49.14745 
1 1 1  -12    3   38 o  110.860   28.688   20.955   8.3013   23.861   11.988   18.278   11.507  109.260   36.278   96.795   35.310 12.46533 50.62494 
1 1 1  -12    3   39 o   87.871   30.425   13.993   8.4402   12.282   12.185   15.572   11.702   82.748   34.416   88.980   34.873 -6.231422 48.99570 
1 1 1  -12    3   40 o   43.675   21.355 -10.5573   8.0281 -17.0571   10.849  -2.6891   11.936   47.206   23.409   61.294   28.904 -14.08810 37.19423 
1 1 1  -12    3   41 o   78.453   29.191   11.273   7.9291   1.7835   10.746   22.612   11.747   63.224   28.983  100.386   35.801 -37.16164 46.06202 
1 1 1  -12    3   42 o   70.080   33.229   4.2030   16.186   4.2030   16.186   0.0000   0.0000   70.080   33.229  ?   ?  0.000000 33.22924 
1 1 1  -12    3   43 o   76.750   30.527   12.396   9.0903   20.782   13.054   4.5003   12.666   87.706   35.964   65.493   30.524 22.21362 47.17181 
1 1 1  -12    4    1 o  640.112   18.346  533.700   30.420   0.0000   0.0000  533.700   30.420  ?   ?   640.112   18.346 0.000000 18.34648 
1 1 1  -12    4    2 o  562.329   17.581  411.700   25.608   0.0000   0.0000  411.700   25.608  ?   ?   562.329   17.581 0.000000 17.58071 
1 1 1  -12    4    3 o  997.865   16.399  1295.60   42.388   0.0000   0.0000  1295.60   42.388  ?   ?   997.865   16.399 0.000000 16.39922 
1 1 1  -12    4    4 o  284.427   9.1974  104.931   6.7762   99.368   9.6074  110.439   9.5589  276.554   13.411  291.604   12.655 -15.04999 18.43954 
1 1 1  -12    4    5 o  271.135   13.317   95.514   9.3526   0.0000   0.0000   95.514   9.3526  ?   ?   271.135   13.317 0.000000 13.31666 
1 1 1  -12    4    6 o  674.890   14.343  592.145   25.074  602.800   36.577  582.700   34.438  679.527   20.780  668.322   19.893 11.20502 28.76750 
1 1 1  -12    4    7 o  172.850   12.157   38.994   5.4085   38.537   7.4812   39.496   7.8281  171.180   17.101  173.226   17.694 -2.046127 24.60743 
1 1 1  -12    4    8 f  213.334   11.014   59.242   6.0658   59.847   8.4259   58.591   8.7393  213.926   15.307  211.554   16.068 2.371933 22.19184 
1 1 1  -12    4    9 o  388.731   9.3830  196.069   9.4480  191.281   13.281  200.974   13.444  383.598   13.366  393.215   13.199 -9.616852 18.78455 
1 1 1  -12    4   10 o  432.272   9.4516  242.479   10.583  236.361   14.770  248.935   15.171  426.371   13.374  437.563   13.386 -11.19223 18.92154 
1 1 1  -12    4   11 o  327.157   9.9366  138.936   8.4206  144.446   12.020  133.628   11.800  333.217   13.926  320.466   14.215 12.75061 19.89996 
1 1 1  -12    4   12 o  581.839   9.8077  439.489   14.782  429.938   20.775  449.282   21.036  574.791   13.953  587.606   13.821 -12.81488 19.63940 
1 1 1  -12    4   13 o  292.190   11.628  110.967   8.8011  108.300   14.318  112.587   11.158  287.124   19.365  294.009   14.651 -6.884338 24.28274 
1 1 1  -12    4   14 o  283.311   22.002  106.000   16.020   0.0000   0.0000  106.000   16.020  ?   ?   283.311   22.002 0.000000 22.00202 
1 1 1  -12    4   15 o  309.541   12.084  124.662   9.6892  126.752   11.924  120.600   16.625  311.775   14.764  302.275   21.370 9.500092 25.97463 
1 1 1  -12    4   16 o  340.253   12.308  150.729   10.847  148.900   21.016  151.393   12.665  334.799   24.401  340.682   14.351 -5.883270 28.30886 
1 1 1  -12    4   17 o  522.784   9.9057  355.316   13.414  366.961   19.315  344.467   18.643  530.263   14.062  513.769   14.009 16.49426 19.84939 
1 1 1  -12    4   18 o  248.902   16.832   81.589   10.788   0.0000   0.0000   81.589   10.788  ?   ?   248.902   16.832 0.000000 16.83199 
1 1 1  -12    4   19 o  202.503   13.447   53.816   7.0135   50.764   9.8244   56.988   10.015  195.174   19.702  207.130   18.874 -11.95575 27.28401 
1 1 1  -12    4   20 o  138.783   17.968   25.793   6.3075   25.822   8.6918   25.761   9.1676  136.750   25.475  136.144   26.950 0.6058960 37.08453 
1 1 1  -12    4   21 o   55.751   23.392   0.8875   5.7014  -3.3424   7.8149   5.7007   8.3364   56.457   25.418   76.722   29.609 -20.26547 39.02275 
1 1 1  -12    4   22 o   87.895   25.555   10.700   6.1667   19.863   8.5890   0.9514   8.8594  118.355   28.382   67.813   28.839 50.54166 40.46304 
1 1 1  -12    4   23 o   90.211   25.136   11.384   6.0924   14.854   8.3905   7.5153   8.8607  102.383   29.821   82.020   30.791 20.36283 42.86471 
1 1 1  -12    4   24 o  144.755   21.289   28.682   7.7442   28.716   9.4114   28.610   13.628  142.910   26.396  138.374   37.213 4.536484 45.62420 
1 1 1  -12    4   25 o  132.182   30.350   25.359   10.172   39.770   16.726   16.900   12.815  160.906   40.236  109.223   37.507 51.68341 55.00654 
1 1 1  -12    4   26 o  155.311   16.959   32.490   6.7120   24.489   9.4887   40.503   9.4956  129.946   28.933  171.584   21.861 -41.63853 36.26353 
1 1 1  -12    4   27 o  207.154   14.150   57.072   7.5476   61.170   10.678   52.981   10.670  211.981   19.671  196.335   21.322 15.64636 29.01035 
1 1 1  -12    4   28 o  209.982   14.229   58.809   7.6934   54.874   11.104   62.441   10.669  198.929   21.913  213.763   19.483 -14.83440 29.32147 
1 1 1  -12    4   29 o   53.633   23.296  -0.0954   6.0178  -3.4919   8.4373   3.4213   8.5854   57.097   25.986   69.766   28.942 -12.66983 38.89586 
1 1 1  -12    4   30 o  191.328   15.408   49.463   7.5714   40.412   10.755   58.355   10.660  166.828   25.715  204.868   20.358 -38.03990 32.79815 
1 1 1  -12    4   31 o  197.762   15.232   52.963   7.7429   42.714   10.940   63.250   10.960  170.993   25.479  212.891   20.113 -41.89842 32.46053 
1 1 1  -12    4   32 o  106.717   25.394   17.093   6.9181   3.8780   9.5026   31.996   10.091   71.520   30.113  145.338   27.819 -73.81754 40.99596 
1 1 1  -12    4   33 o  138.892   29.622   30.159   10.332   37.510   13.638   20.260   15.827  149.619   35.690  107.778   40.994 41.84062 54.35363 
1 1 1  -12    4   34 o   64.046   27.860   1.5537   8.6321   32.030   18.827  -6.5587   9.7133  125.226   45.245   55.795   26.238 69.43110 52.30226 
1 1 1  -12    4   35 o  138.877   22.426   28.508   7.7925   22.021   11.453   34.100   10.633  111.462   35.344  146.331   29.077 -34.86948 45.76741 
1 1 1  -12    4   36 o   68.090   27.376   5.5576   7.3921   10.306   10.605   1.0705   10.309   82.613   32.937   66.007   29.495 16.60561 44.21288 
1 1 1  -12    4   37 o   87.784   28.796   12.928   7.5616   11.403   10.083   14.889   11.431   83.237   32.440   90.823   34.769 -7.586082 47.55213 
1 1 1  -12    4   38 o  127.092   25.458   25.971   8.0887   33.413   11.184   17.810   11.712  136.725   32.125   95.141   35.462 41.58380 47.84959 
1 1 1  -12    4   39 o  164.321   21.257   41.175   8.8359   31.735   11.748   53.470   13.407  127.678   34.641  174.321   30.820 -46.64360 46.36651 
1 1 1  -12    4   40 o   91.526   29.116   15.324   7.7676   0.3764   11.318   28.633   10.680   63.288   29.275  121.482   33.058 -58.19354 44.15708 
1 1 1  -12    4   41 o   68.263   28.630   6.9708   8.5359   13.341   12.135   0.7334   12.009   80.912   34.047   63.712   29.704 17.20018 45.18282 
1 1 1  -12    4   42 o  104.178   38.028   28.068   13.349   28.068   13.349   0.0000   0.0000  104.178   38.028  ?   ?  0.000000 38.02784 
1 1 1  -12    4   43 o   71.493   29.369   10.049   8.7246   4.6373   11.706   16.811   13.086   64.458   29.801   80.622   34.686 -16.16312 45.72969 
1 1 1  -12    5    1 o  732.893   11.565  697.307   21.954  673.100   38.556  708.921   26.707  718.193   20.725  738.574   13.960 -20.38104 24.98817 
1 1 1  -12    5    2 o  718.326   11.515  669.860   21.425  672.100   38.553  668.860   25.771  717.637   20.740  717.410   13.868 0.2274780 24.94927 
1 1 1  -12    5    3 o  538.769   12.789  377.051   17.848   0.0000   0.0000  377.051   17.848  ?   ?   538.769   12.789 0.000000 12.78921 
1 1 1  -12    5    4 o  468.469   9.0338  284.662   10.962  277.281   15.563  291.931   15.444  461.986   13.005  474.082   12.576 -12.09515 18.09121 
1 1 1  -12    5    5 o  780.042   10.342  789.631   20.896  772.671   29.323  807.129   29.785  770.839   14.686  787.858   14.595 -17.01984 20.70465 
1 1 1  -12    5    6 o  849.279   15.493  938.475   34.082  924.300   48.415  952.400   47.986  840.797   22.230  853.671   21.701 -12.87415 31.06615 
1 1 1  -12    5    7 o  400.966   9.2443  208.580   9.6013  203.934   13.617  213.173   13.540  396.120   13.271  405.031   12.906 -8.911774 18.51150 
1 1 1  -12    5    8 o  398.482   9.4201  206.031   9.7233  201.443   13.845  210.495   13.658  393.632   13.579  402.432   13.102 -8.800476 18.86946 
1 1 1  -12    5    9 o  538.309   9.5115  376.036   13.263  365.861   18.643  386.464   18.872  530.442   13.568  545.205   13.363 -14.76355 19.04370 
1 1 1  -12    5   10 o  507.974   9.4347  334.873   12.414  331.225   17.568  338.511   17.545  504.677   13.438  510.223   13.275 -5.546082 18.88991 
1 1 1  -12    5   11 o  660.853   9.9921  566.983   17.105  569.746   24.420  564.322   23.966  661.644   14.248  658.532   14.050 3.112671 20.01022 
1 1 1  -12    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    5   13 o  452.265   12.972  266.147   15.196  241.600   20.673  295.000   22.414  429.862   18.567  475.083   18.214 -45.22031 26.00875 
1 1 1  -12    5   14 o  142.295   16.152   26.761   5.8478   19.924   8.3591   33.315   8.1838  120.366   27.423  158.126   20.460 -37.75918 34.21424 
1 1 1  -12    5   15 o  216.470   14.441   61.373   8.0507   55.108   9.6639   75.580   14.554  204.328   18.458  238.213   23.909 -33.88495 30.20505 
1 1 1  -12    5   16 o  170.562   14.840   38.261   6.4911   32.835   9.3847   43.238   8.9879  155.895   24.011  180.449   19.541 -24.55362 30.95753 
1 1 1  -12    5   17 o   77.163   24.450   7.8018   5.4816   6.1510   7.4502   9.7505   8.0942   76.206   28.307   87.923   29.814 -11.71691 41.11156 
1 1 1  -12    5   18 o  141.513   17.500   26.684   6.2782   25.805   8.8934   27.558   8.8641  136.940   26.023  141.906   25.030 -4.965790 36.10660 
1 1 1  -12    5   19 o  232.886   12.287   70.987   7.3860   73.934   10.477   68.076   10.414  236.511   17.221  226.719   17.877 9.791748 24.82213 
1 1 1  -12    5   20 o  236.861   12.492   73.523   7.6375   70.863   10.641   76.349   10.968  231.096   17.917  239.970   17.771 -8.873672 25.23573 
1 1 1  -12    5   21 o  156.951   16.781   32.837   6.7164   41.122   9.3041   23.821   9.7055  174.554   20.999  129.623   29.561 44.93166 36.26032 
1 1 1  -12    5   22 o  260.578   12.134   88.875   8.1898  102.120   11.680   76.063   11.487  277.698   16.309  238.664   18.731 39.03362 24.83624 
1 1 1  -12    5   23 o  215.341   14.803   61.364   8.2068   64.750   12.704   58.939   10.751  218.137   22.822  209.165   20.090 8.971420 30.40477 
1 1 1  -12    5   24 o  104.314   24.197   15.343   6.4116   15.533   8.9587   15.143   9.1801  104.126   30.948  103.012   31.489 1.114571 44.15086 
1 1 1  -12    5   25 o   71.954   29.987   2.7980   9.2777   0.2705   14.936   4.3860   11.839   83.035   36.371   81.744   33.955 1.291519 49.75711 
1 1 1  -12    5   26 o  141.845   17.400   27.239   6.2591   31.813   9.7075   23.985   8.1884  149.835   25.952  129.980   25.230 19.85522 36.19477 
1 1 1  -12    5   27 o  169.051   16.384   38.488   7.0846   46.210   10.154   31.163   9.8899  182.791   21.879  147.248   26.921 35.54326 34.69107 
1 1 1  -12    5   28 o   93.949   26.165   12.857   6.6032   13.421   9.4217   12.313   9.2571   96.051   32.168   92.905   31.880 3.146233 45.28930 
1 1 1  -12    5   29 o  130.589   20.127   23.832   6.5897   26.776   9.1805   20.704   9.4643  134.817   27.227  116.414   30.879 18.40244 41.16809 
1 1 1  -12    5   30 o   74.670   26.850   7.3954   6.6205  -0.0333   9.2515   15.193   9.4781   64.726   28.481   99.465   32.218 -34.73882 43.00203 
1 1 1  -12    5   31 o  143.009   20.003   28.794   7.2071   28.223   10.361   29.331   10.032  134.933   30.376  138.736   28.855 -3.802704 41.89666 
1 1 1  -12    5   32 o  100.405   25.604   15.228   6.6796   9.5444   9.1730   21.643   9.7458   82.984   31.293  116.302   31.550 -33.31763 44.43725 
1 1 1  -12    5   33 o  111.541   29.938   19.822   8.8309   19.175   10.865   21.080   15.160  107.046   34.475  108.989   40.400 -1.943192 53.11029 
1 1 1  -12    5   34 o  144.785   27.344   32.376   9.8791   27.110   19.927   34.092   11.375  115.313   45.409  145.186   31.178 -29.87295 55.08208 
1 1 1  -12    5   35 o   47.428   22.272  -5.0890   6.9567   0.0711   10.553  -9.0553   9.2517   65.776   29.582   51.082   24.470 14.69390 38.39111 
1 1 1  -12    5   36 o   58.668   25.444   1.6010   7.1565   8.7042   9.8570  -6.3169   10.407   78.311   31.568   56.842   26.861 21.46928 41.44909 
1 1 1  -12    5   37 o  114.369   26.648   21.290   7.7480   33.257   11.596   11.638   10.414  136.357   33.152   83.467   32.840 52.89006 46.66349 
1 1 1  -12    5   38 o  111.831   27.458   21.048   7.8953   10.537   11.630   30.033   10.753   80.336   33.536  128.540   32.326 -48.20451 46.57915 
1 1 1  -12    5   39 o  109.615   28.404   21.014   8.1304   28.185   11.501   13.850   11.495  118.524   35.027   84.881   34.134 33.64271 48.90878 
1 1 1  -12    5   40 o  181.247   19.860   49.773   9.1714   47.976   12.301   52.022   13.762  163.899   30.083  165.848   33.194 -1.948715 44.79768 
1 1 1  -12    5   41 o  120.612   30.097   27.249   9.3726   33.620   15.301   23.423   11.858  112.083   40.744  100.796   35.966 11.28686 54.34717 
1 1 1  -12    5   42 o   60.143   30.056 -16.8400   19.365 -16.8400   19.365   0.0000   0.0000   60.143   30.056  ?   ?  0.000000 30.05598 
1 1 1  -12    5   43 o   62.547   27.302   5.7327   8.3514   7.5245   12.055   4.0791   11.581   67.600   30.880   63.248   29.381 4.352345 42.62409 
1 1 1  -12    6    1 o  681.886   9.7265  603.263   17.180  630.500   36.887  595.719   19.414  695.017   20.489  677.434   11.064 17.58258 23.28543 
1 1 1  -12    6    2 o  344.689   9.1184  154.117   8.1413  151.100   19.072  154.789   9.0028  339.375   21.811  345.381   10.063 -6.006226 24.02010 
1 1 1  -12    6    3 o  533.754   20.090  371.800   27.776  371.800   27.776   0.0000   0.0000  533.754   20.090  ?   ?  0.000000 20.09022 
1 1 1  -12    6    4 o  399.442   8.9279  206.964   9.2375  195.292   13.090  218.545   13.038  387.678   13.035  410.186   12.271 -22.50732 17.90223 
1 1 1  -12    6    5 o  441.148   9.0572  252.459   10.350  249.128   14.812  255.636   14.467  437.847   13.060  443.582   12.591 -5.734955 18.14123 
1 1 1  -12    6    6 o  700.401   11.710  637.114   21.244  590.400   36.927  660.223   25.972  672.116   21.211  712.552   14.072 -40.43573 25.45385 
1 1 1  -12    6    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    6    8 o  486.914   9.4038  307.652   11.861  290.343   16.711  325.220   16.836  472.517   13.654  500.188   12.995 -27.67065 18.84883 
1 1 1  -12    6    9 o  561.945   9.6170  409.846   13.999  386.903   19.483  434.333   20.127  545.386   13.791  577.910   13.445 -32.52454 19.26055 
1 1 1  -12    6   10 f  246.671   10.679   79.021   6.8233   77.177   9.7088   80.821   9.5914  242.924   15.510  248.696   14.959 -5.771652 21.54816 
1 1 1  -12    6   11 o  817.408   10.820  867.942   22.911  850.626   32.283  885.511   32.519  807.976   15.425  824.440   15.227 -16.46436 21.67503 
1 1 1  -12    6   12 o  647.015   13.679  544.949   22.925  513.300   31.375  581.200   33.579  626.363   19.338  666.466   19.451 -40.10242 27.42772 
1 1 1  -12    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    6   14 o  543.719   9.7932  384.059   13.793  383.010   19.745  385.058   19.275  542.099   14.061  543.636   13.688 -1.536682 19.62345 
1 1 1  -12    6   15 o  417.029   15.205  227.071   16.425  236.500   24.524  219.400   22.119  423.028   22.461  407.921   21.005 15.10699 30.75214 
1 1 1  -12    6   16 o  248.729   11.463   80.536   7.3856   77.865   10.538   83.115   10.354  243.294   16.824  251.587   15.971 -8.292404 23.19794 
1 1 1  -12    6   17 o  335.688   10.361  146.632   9.0092  156.046   13.027  138.000   12.473  345.511   14.555  324.864   14.823 20.64706 20.77427 
1 1 1  -12    6   18 f  177.524   14.270   41.483   6.5065   35.819   9.1147   47.368   9.2911  162.958   22.168  188.593   19.291 -25.63448 29.38663 
1 1 1  -12    6   19 o  179.726   14.356   42.571   6.6274   41.425   9.3450   43.731   9.4004  175.571   20.963  180.605   20.454 -5.034546 29.28859 
1 1 1  -12    6   20 o  535.548   10.136  373.821   14.061  366.381   19.897  381.241   19.872  528.435   14.536  539.191   14.228 -10.75531 20.34075 
1 1 1  -12    6   21 o  300.759   11.107  118.145   8.6527  126.419   12.321  110.095   12.154  309.931   15.348  288.494   16.331 21.43649 22.41095 
1 1 1  -12    6   22 o  253.248   16.967   85.216   11.066   0.0000   0.0000   85.216   11.066  ?   ?   253.248   16.967 0.000000 16.96684 
1 1 1  -12    6   23 o  250.212   15.796   83.045   10.185   84.650   13.760   81.100   15.149  250.181   21.440  243.367   24.357 6.814255 32.44960 
1 1 1  -12    6   24 o   86.341   25.500   10.429   6.0974   11.784   8.2399   8.7889   9.0649   92.309   30.049   85.124   31.297 7.184799 43.38723 
1 1 1  -12    6   25 o  230.169   15.657   70.565   9.2794   86.150   17.719   64.676   10.893  247.236   28.171  218.681   19.432 28.55481 34.22308 
1 1 1  -12    6   26 o  313.970   11.332  129.458   9.2162  127.410   13.330  131.333   12.757  308.561   16.740  314.265   15.671 -5.704346 22.93032 
1 1 1  -12    6   27 o  208.887   14.089   58.116   7.5788   59.715   10.784   56.555   10.654  208.791   20.191  202.951   20.549 5.840042 28.80854 
1 1 1  -12    6   28 o  210.457   14.375   59.232   7.7898   65.631   11.192   53.220   10.849  218.459   20.000  195.501   21.795 22.95801 29.58060 
1 1 1  -12    6   29 o  214.999   13.426   61.730   7.4398   61.477   10.853   61.955   10.218  210.676   20.133  212.393   18.766 -1.717560 27.52306 
1 1 1  -12    6   30 o  179.719   16.379   44.030   7.5409   31.789   10.446   57.354   10.898  145.107   28.807  202.120   21.127 -57.01292 35.72382 
1 1 1  -12    6   31 o  194.729   15.156   51.457   7.5844   43.054   10.788   59.669   10.665  171.525   25.018  206.238   20.223 -34.71289 32.16956 
1 1 1  -12    6   32 o   72.520   27.881   6.5376   7.3703   13.810   11.648   1.6822   9.5179   94.522   35.339   67.293   29.264 27.22932 45.88266 
1 1 1  -12    6   33 o  140.986   26.306   30.162   9.2533   32.544   11.003   24.410   17.100  142.934   30.640  113.765   42.762 29.16852 52.60611 
1 1 1  -12    6   34 o   89.274   30.784   12.723   8.6362   34.820   17.173   5.2431   9.9916  131.575   43.407   73.437   30.897 58.13745 53.28043 
1 1 1  -12    6   35 o  108.612   34.734   21.078   11.043   0.0000   0.0000   21.078   11.043  ?   ?   108.612   34.734 0.000000 34.73434 
1 1 1  -12    6   36 o   97.870   28.663   15.998   7.7324   27.975   11.529   6.2066   10.425  123.902   34.597   73.845   31.340 50.05666 46.68148 
1 1 1  -12    6   37 o  135.915   25.541   29.447   8.6617   32.793   12.426   26.284   12.081  131.284   35.629  115.573   36.255 15.71088 50.83183 
1 1 1  -12    6   38 o   75.432   28.983   9.2304   7.9611   13.199   11.724   5.8349   10.845   84.667   34.323   71.391   31.139 13.27613 46.34312 
1 1 1  -12    6   39 o   81.468   30.079   11.993   8.3866   2.9474   11.614   21.852   12.124   67.258   30.563  100.359   36.301 -33.10065 47.45318 
1 1 1  -12    6   40 o   48.122   22.697  -3.9772   7.3672  -3.3003   11.289  -4.4793   9.7229   58.719   27.816   54.083   25.676 4.635742 37.85493 
1 1 1  -12    6   41 o   91.512   33.152   18.079   10.117   29.610   16.173   10.665   12.968  101.175   40.558   75.757   33.509 25.41892 52.61026 
1 1 1  -12    6   42 o   53.080   25.623  -5.7140   10.603  -0.1206   20.945  -7.6410   12.294   68.684   33.769   54.767   26.702 13.91678 43.05032 
1 1 1  -12    7    1 o  402.146   9.0461  209.792   9.4231  195.700   21.284  213.228   10.509  386.409   21.347  405.352   10.009 -18.94376 23.57703 
1 1 1  -12    7    2 o  264.177   9.8210   90.561   6.7205   90.070   16.260   90.662   7.3804  261.090   24.322  264.272   10.781 -3.182800 26.60477 
1 1 1  -12    7    3 o  153.637   12.868   30.886   5.0739   45.170   14.921   29.018   5.3955  182.167   32.828  148.716   14.178 33.45042 35.75889 
1 1 1  -12    7    4 o  163.032   12.999   34.761   5.4440   47.240   14.852   32.824   5.8512  186.600   31.872  158.211   14.437 28.38861 34.98944 
1 1 1  -12    7    5 o  237.413   18.529   73.963   11.305   70.500   17.326   76.530   14.918  229.358   29.872  240.424   24.287 -11.06525 38.49916 
1 1 1  -12    7    6 o  569.815   9.4647  421.333   13.970  410.753   19.740  431.947   19.772  562.045   13.559  576.416   13.243 -14.37067 18.95302 
1 1 1  -12    7    7 o  263.760   9.9864   90.303   6.8229   92.447   9.9170   88.376   9.4017  266.165   14.438  260.281   13.996 5.883698 20.10847 
1 1 1  -12    7    8 o  502.720   9.4545  327.998   12.312  329.421   17.615  326.640   17.214  503.267   13.513  501.177   13.260 2.089661 18.93209 
1 1 1  -12    7    9 o  307.419   10.015  122.698   7.9752  120.248   11.674  124.843   10.921  303.894   14.831  309.776   13.610 -5.881836 20.12899 
1 1 1  -12    7   10 o  440.890   9.5307  252.342   10.884  246.281   15.659  258.009   15.140  434.994   13.897  445.349   13.124 -10.35556 19.11491 
1 1 1  -12    7   11 o  596.312   13.267  462.746   20.493  460.600   28.954  464.900   29.009  593.492   18.834  596.272   18.782 -2.779785 26.59841 
1 1 1  -12    7   12 o  605.682   11.421  476.935   17.919  463.389   22.105  502.900   30.603  596.374   14.309  619.855   19.060 -23.48071 23.83351 
1 1 1  -12    7   13 o  529.242   13.624  364.893   18.677   0.0000   0.0000  364.893   18.677  ?   ?   529.242   13.624 0.000000 13.62381 
1 1 1  -12    7   14 o  222.976   11.764   64.877   6.7707   70.580   9.8482   59.765   9.3236  231.788   16.511  213.091   17.034 18.69678 23.72243 
1 1 1  -12    7   15 o  337.966   16.207  149.405   14.189  173.600   22.085  132.400   18.515  361.557   23.713  315.870   22.782 45.68753 32.88342 
1 1 1  -12    7   16 o  264.558   11.182   91.128   7.6631   87.063   10.810   95.235   10.865  257.333   16.301  269.339   15.641 -12.00571 22.59124 
1 1 1  -12    7   17 o  443.138   10.008  255.535   11.487  252.010   16.516  258.837   15.988  438.929   14.527  445.029   13.869 -6.100647 20.08430 
1 1 1  -12    7   18 o  277.902   11.192  100.687   8.0563  107.798   11.621   94.107   11.179  286.215   15.735  267.231   16.226 18.98349 22.60242 
1 1 1  -12    7   19 o  248.101   11.920   80.392   7.6607   80.495   10.899   80.291   10.770  246.594   17.169  246.338   16.983 0.2562866 24.14941 
1 1 1  -12    7   20 o  235.726   12.497   72.902   7.6032   80.546   10.647   64.947   10.861  246.577   16.770  220.506   19.207 26.07027 25.49759 
1 1 1  -12    7   21 o  461.725   14.840  280.521   17.749   0.0000   0.0000  280.521   17.749  ?   ?   461.725   14.840 0.000000 14.84050 
1 1 1  -12    7   22 o  390.145   11.870  199.331   11.996  210.000   19.424  192.754   15.252  397.120   18.883  382.218   15.405 14.90259 24.36953 
1 1 1  -12    7   23 o  180.860   16.861   43.743   7.8078   43.460   9.8192   44.230   12.875  178.472   21.686  176.641   29.157 1.830658 36.33746 
1 1 1  -12    7   24 o  249.396   14.856   82.495   9.5537   73.399   11.373  104.300   17.609  233.459   18.971  274.903   25.002 -41.44380 31.38457 
1 1 1  -12    7   25 o  290.486   11.821  110.866   8.8949  113.454   12.990  108.581   12.206  291.031   17.309  285.070   16.601 5.960815 23.98334 
1 1 1  -12    7   26 o  191.597   14.671   48.979   7.2259   55.273   10.554   43.425   9.9138  200.873   20.574  177.092   22.092 23.78142 30.18909 
1 1 1  -12    7   27 o  186.916   14.882   46.799   7.1455   41.007   10.301   52.171   9.9203  170.479   23.991  194.951   19.925 -24.47214 31.18601 
1 1 1  -12    7   28 o  200.187   14.860   53.811   7.6505   50.386   10.843   57.207   10.796  189.418   22.542  203.083   20.817 -13.66481 30.68359 
1 1 1  -12    7   29 o  118.669   22.713   20.249   6.7274   18.566   9.4845   21.953   9.5438  109.356   31.664  119.341   30.698 -9.984909 44.10165 
1 1 1  -12    7   30 o  260.746   12.891   90.628   8.7064   90.536   12.497   90.716   12.136  255.830   18.994  256.601   18.381 -0.7705994 26.43155 
1 1 1  -12    7   31 o  200.556   15.169   54.655   7.8221   48.112   11.137   61.026   10.989  181.710   24.267  207.947   20.675 -26.23689 31.88021 
1 1 1  -12    7   32 o   71.392   29.396   4.9403   8.7665   0.9373   11.450   10.610   13.627   70.657   31.358   89.494   36.727 -18.83730 48.29326 
1 1 1  -12    7   33 o   73.807   28.993   6.8319   8.1053   4.7302   9.5562   12.220   15.301   72.053   30.260   92.432   38.515 -20.37843 48.98057 
1 1 1  -12    7   34 o  101.924   31.525   17.392   9.1706   12.510   18.019   19.099   10.654   93.151   40.387  104.864   34.169 -11.71378 52.90193 
1 1 1  -12    7   35 o  244.103   14.692   81.975   9.2467   68.835   13.026   95.323   13.128  213.648   23.950  257.228   19.857 -43.58003 31.11094 
1 1 1  -12    7   36 o  190.181   18.167   51.892   8.8407   52.618   12.221   51.096   12.804  181.937   26.730  176.484   29.017 5.452591 39.45243 
1 1 1  -12    7   37 o   79.318   28.572   10.454   7.5004   9.4196   10.138   11.706   11.149   77.791   31.772   82.737   33.495 -4.946342 46.16721 
1 1 1  -12    7   38 o  149.938   22.063   34.718   8.3127   53.051   12.483   20.111   11.143  177.545   28.076   99.355   34.926 78.18942 44.81216 
1 1 1  -12    7   39 o   70.706   28.489   7.8169   8.0242  -0.3384   11.395   15.838   11.301   62.581   29.096   87.779   34.307 -25.19811 44.98353 
1 1 1  -12    7   40 o   57.289   25.970   0.9020   8.3229   3.9428   11.476  -2.4719   12.088   66.802   30.365   60.635   28.741 6.167542 41.81026 
1 1 1  -12    7   41 o   77.122   32.661   12.088   11.284   21.500   15.227   0.6227   16.806   88.991   37.826   67.651   32.555 21.33984 49.90663 
1 1 1  -12    7   42 o   61.304   29.159   0.2776   12.656  -0.8243   18.868   1.1790   17.065   66.176   32.437   66.129   32.062 0.4660797E-01 45.60865 
1 1 1  -12    8    1 o  361.681   9.2457  169.730   8.6620  194.400   20.876  164.600   9.5202  385.068   21.009  356.094   10.321 28.97452 23.40745 
1 1 1  -12    8    2 o  428.561   9.2980  238.312   10.322  218.700   23.030  243.242   11.546  408.282   21.856  432.880   10.297 -24.59821 24.15993 
1 1 1  -12    8    3 o  348.421   10.841  157.627   9.7845  191.500   21.455  148.732   10.994  381.969   21.774  338.301   12.546 43.66776 25.13030 
1 1 1  -12    8    4 o  520.571   11.375  351.977   15.339  337.800   27.438  358.420   18.499  508.283   20.840  524.994   13.603 -16.71100 24.88707 
1 1 1  -12    8    5 o  361.484   23.358  172.000   21.755  172.000   21.755   0.0000   0.0000  361.484   23.358  ?   ?  0.000000 23.35819 
1 1 1  -12    8    6 o  167.044   16.113   36.688   6.8855   70.090   16.534   29.680   7.5735  228.824   28.514  149.384   20.081 79.43990 34.87538 
1 1 1  -12    8    7 o  149.724   13.399   29.389   5.1416   33.724   7.3828   25.306   7.1648  159.728   18.167  137.585   20.749 22.14287 27.57807 
1 1 1  -12    8    8 o  728.245   10.303  688.693   19.434  695.298   27.963  682.521   27.030  730.709   14.774  724.059   14.412 6.650269 20.63877 
1 1 1  -12    8    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    8   10 o  707.805   13.993  652.376   25.655  646.300   36.066  658.600   36.500  702.595   19.817  709.230   19.868 -6.634338 28.06177 
1 1 1  -12    8   11 o  689.668   11.852  618.583   21.174  603.174   26.168  647.800   36.033  680.223   14.852  703.178   19.782 -22.95526 24.73685 
1 1 1  -12    8   12 o  501.762   14.006  328.103   18.204  328.103   18.204   0.0000   0.0000  501.762   14.006  ?   ?  0.000000 14.00618 
1 1 1  -12    8   13 o  456.277   13.595  271.345   16.068   0.0000   0.0000  271.345   16.068  ?   ?   456.277   13.595 0.000000 13.59472 
1 1 1  -12    8   14 o  594.964   10.056  460.202   15.498  460.478   22.207  459.940   21.640  593.953   14.434  593.721   14.071 0.2321167 20.15743 
1 1 1  -12    8   15 o  221.575   15.422   64.514   8.7961   86.610   19.366   58.771   9.8733  252.264   30.240  210.809   18.261 41.45494 35.32568 
1 1 1  -12    8   16 o  171.039   14.481   38.521   6.3555   36.033   8.8990   41.112   9.0798  163.748   21.500  175.383   20.366 -11.63535 29.61436 
1 1 1  -12    8   17 o  259.138   11.432   87.559   7.6738   90.317   11.268   85.172   10.480  261.687   16.710  254.288   15.992 7.399292 23.12915 
1 1 1  -12    8   18 o  225.092   12.587   66.418   7.3095   59.671   10.428   72.936   10.249  211.592   19.237  234.792   16.965 -23.20036 25.64913 
1 1 1  -12    8   19 o  321.552   10.816  134.912   9.0089  145.802   13.033  124.947   12.467  333.110   15.104  307.814   15.688 25.29526 21.77733 
1 1 1  -12    8   20 o  282.098   11.487  104.025   8.3935  110.862   11.947   97.361   11.795  289.558   15.991  270.976   16.887 18.58182 23.25703 
1 1 1  -12    8   21 o  236.057   13.132   73.343   7.9980   87.061   11.599   60.911   11.043  255.670   17.622  212.647   20.294 43.02267 26.87765 
1 1 1  -12    8   22 o  301.519   14.417  119.787   11.260  114.900   15.160  125.800   16.817  292.326   20.144  305.222   21.406 -12.89618 29.39363 
1 1 1  -12    8   23 o  254.877   12.494   85.326   8.2486   93.309   11.825   77.762   11.512  264.298   17.370  240.630   18.613 23.66785 25.45898 
1 1 1  -12    8   24 o   77.542   32.632   3.1086   11.149  -4.4930   17.770   8.0440   14.318   83.785   37.968   92.997   37.846 -9.211182 53.60855 
1 1 1  -12    8   25 o  201.038   13.927   53.694   7.2079   48.067   10.042   59.674   10.352  187.142   21.083  209.650   19.278 -22.50832 28.56838 
1 1 1  -12    8   26 o  283.681   11.838  106.005   8.6991  107.844   12.598  104.329   12.026  283.001   17.268  278.658   16.739 4.343872 24.05001 
1 1 1  -12    8   27 o  142.758   18.289   27.976   6.6076   28.594   9.7834   27.458   8.9601  139.404   28.064  137.623   26.089 1.781448 38.31794 
1 1 1  -12    8   28 o  107.651   23.987   16.851   6.5177   7.5677   8.9813   27.179   9.4731   79.548   30.724  135.175   27.977 -55.62655 41.55314 
1 1 1  -12    8   29 o   48.169   22.084  -3.3156   6.2420  -2.0461   8.7455  -4.6339   8.9117   59.778   26.903   56.638   26.121 3.139603 37.49775 
1 1 1  -12    8   30 o   76.347   26.177   8.2492   6.2408   11.122   8.9635   5.5467   8.6943   87.183   31.253   73.252   29.606 13.93147 43.04956 
1 1 1  -12    8   31 o   64.650   26.110   4.0112   6.7571   8.4455   9.5172  -0.4962   9.5952   80.608   31.489   63.993   28.535 16.61546 42.49448 
1 1 1  -12    8   32 o   86.324   29.877   11.410   8.1387   7.8850   9.8846   18.830   14.341   79.281   31.734  104.274   39.167 -24.99267 50.40949 
1 1 1  -12    8   33 o  115.889   29.550   21.659   8.8978   33.912   10.974  -1.8580   15.202  145.510   30.108   73.925   34.102 71.58430 45.49055 
1 1 1  -12    8   34 f   77.265   27.456   8.9934   6.9034   4.9933   8.9945   14.728   10.769   70.356   29.441   93.194   34.135 -22.83878 45.07779 
1 1 1  -12    8   35 o   76.787   28.276   9.0155   7.4037   2.5062   9.7591   17.842   11.364   66.616   29.284   98.624   35.208 -32.00826 45.79451 
1 1 1  -12    8   36 o   47.126   22.131  -4.4491   6.8711  -9.4120   10.152  -0.2540   9.3338   52.332   25.213   60.561   27.473 -8.229740 37.28927 
1 1 1  -12    8   37 o   93.280   29.616   15.466   8.0397   20.357   11.552   10.872   11.196  100.309   35.530   80.489   33.191 19.82024 48.62156 
1 1 1  -12    8   38 o   85.801   30.171   13.507   8.3153   15.615   11.732   11.378   11.788   87.894   34.768   80.067   33.616 7.827423 48.36182 
1 1 1  -12    8   39 o   68.587   27.951   7.1460   7.8234   9.3845   10.412   4.2441   11.855   74.772   31.504   68.275   30.969 6.496483 44.17651 
1 1 1  -12    8   40 o  137.023   26.134   32.179   8.9371   45.113   12.982   20.525   12.322  149.839   34.200   93.167   35.986 56.67236 49.64557 
1 1 1  -12    8   41 o  141.879   31.005   39.022   11.077   33.579   13.462   50.430   19.490  114.779   38.451  120.807   45.601 -6.028877 59.64818 
1 1 1  -12    8   42 o  167.909   28.640   53.213   12.010   60.370   23.484   50.679   13.975  111.250   47.116  147.905   36.662 -36.65497 59.69966 
1 1 1  -12    9    1 o  857.534   10.900  955.011   24.213  1008.00   51.828  940.218   27.385  876.971   22.816  850.518   12.430 26.45282 25.98178 
1 1 1  -12    9    2 o  757.571   21.948  751.600   43.070  751.600   43.070   0.0000   0.0000  757.571   21.948  ?   ?  0.000000 21.94845 
1 1 1  -12    9    3 o  578.867   9.6609  434.938   14.486  431.300   30.692  435.981   16.431  574.209   20.635  579.380   10.949 -5.171387 23.35995 
1 1 1  -12    9    4 o  493.797   14.594  317.411   18.667  302.900   27.107  330.500   25.744  480.889   21.762  502.814   19.766 -21.92435 29.39836 
1 1 1  -12    9    5 o  221.244   11.949   63.801   6.8226   88.030   17.809   59.634   7.3862  257.046   27.158  213.693   13.412 43.35329 30.28946 
1 1 1  -12    9    6 f  900.955   11.364  1054.72   26.522  1042.00   54.335  1058.70   30.388  890.756   23.549  902.201   13.003 -11.44482 26.90049 
1 1 1  -12    9    7 o  600.475   11.633  468.645   18.093  456.400   33.651  473.625   21.459  589.897   22.023  603.238   13.733 -13.34113 25.95399 
1 1 1  -12    9    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    9    9 o  331.644   12.559  143.096   10.789  142.900   15.110  143.300   15.410  330.216   17.730  330.606   18.063 -0.3901062 25.31070 
1 1 1  -12    9   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    9   11 o  522.852   14.176  356.369   19.199  356.369   19.199   0.0000   0.0000  522.852   14.176  ?   ?  0.000000 14.17611 
1 1 1  -12    9   12 o  232.708   16.740   71.176   10.023   71.176   10.023   0.0000   0.0000  232.708   16.740  ?   ?  0.000000 16.74046 
1 1 1  -12    9   13 o  361.929   14.066  170.927   13.187   0.0000   0.0000  170.927   13.187  ?   ?   361.929   14.066 0.000000 14.06648 
1 1 1  -12    9   14 o  262.636   19.629   91.248   13.257   97.710   20.874   86.880   17.163  267.957   30.623  254.070   26.468 13.88705 40.47617 
1 1 1  -12    9   15 o  515.119   9.9339  345.223   13.255  335.371   18.941  354.678   18.556  506.445   14.438  521.050   13.748 -14.60486 19.93691 
1 1 1  -12    9   16 o  334.170   10.701  145.475   9.2632  135.412   13.169  155.330   13.032  321.300   15.823  344.441   14.607 -23.14133 21.53436 
1 1 1  -12    9   17 o  244.994   12.001   78.371   7.6162   88.328   11.244   69.930   10.353  258.549   16.882  229.744   17.529 28.80515 24.33647 
1 1 1  -12    9   18 o  361.629   10.735  170.595   10.056  173.646   14.714  167.921   13.775  363.394   15.631  357.608   14.870 5.785797 21.57459 
1 1 1  -12    9   19 o  314.902   11.035  129.511   9.0012  114.005   12.735  144.991   12.724  293.381   16.828  332.089   14.792 -38.70813 22.40520 
1 1 1  -12    9   20 o  305.244   15.941  123.307   12.560   0.0000   0.0000  123.307   12.560  ?   ?   305.244   15.941 0.000000 15.94077 
1 1 1  -12    9   21 o  109.453   26.903   17.044   7.5735   22.490   10.186   10.310   11.326  124.484   31.549   93.061   34.835 31.42312 46.99807 
1 1 1  -12    9   22 o  326.460   11.317  139.600   9.5701  152.721   13.850  127.610   13.239  339.680   15.740  309.737   16.562 29.94247 22.84835 
1 1 1  -12    9   23 o   67.646   25.423   4.9907   6.0441   6.1733   8.3901   3.7149   8.7145   76.887   29.696   72.112   29.456 4.774170 41.82692 
1 1 1  -12    9   24 o  149.827   32.736   33.336   12.349   16.250   19.369   45.040   16.030  112.653   44.638  171.951   37.081 -59.29794 58.03096 
1 1 1  -12    9   25 o  231.835   13.223   71.252   7.9080   70.409   11.479   72.013   10.910  227.323   19.688  230.617   18.418 -3.294388 26.95987 
1 1 1  -12    9   26 o  206.049   14.209   56.677   7.5373   60.624   10.976   53.155   10.369  209.884   20.449  196.278   20.707 13.60590 29.10173 
1 1 1  -12    9   27 o  177.292   14.990   42.308   6.8194   37.697   10.433   45.748   9.0110  161.526   25.803  182.163   19.395 -20.63757 32.27962 
1 1 1  -12    9   28 o   94.494   24.064   13.099   5.9060   9.3784   7.9052   17.799   8.8851   82.276   29.365  107.495   30.498 -25.21964 42.33745 
1 1 1  -12    9   29 o   92.586   26.136   12.859   6.5425   16.647   9.3279   9.1913   9.1788  102.932   31.788   82.758   31.280 20.17384 44.59715 
1 1 1  -12    9   30 o   84.717   26.744   10.753   6.5634   16.268   9.3559   5.4087   9.2101  101.035   31.935   73.727   30.218 27.30798 43.96518 
1 1 1  -12    9   31 o   78.283   28.443   8.6902   7.4554   0.5591   10.879   15.890   10.237   68.669   30.517   98.828   33.529 -30.15885 45.33748 
1 1 1  -12    9   32 o   68.353   26.674   5.6228   6.8237   17.752   9.3464  -8.2226   9.9858  103.748   31.783   54.791   26.015 48.95611 41.07191 
1 1 1  -12    9   33 o   52.126   25.643 -18.6688   12.137 -47.8200   18.541   3.1890   16.055   53.745   27.184   80.081   36.207 -26.33668 45.27623 
1 1 1  -12    9   34 o   77.577   28.185   9.1557   7.3207   5.2881   9.8596   13.908   10.929   72.036   30.520   90.553   34.155 -18.51681 45.80432 
1 1 1  -12    9   35 o   92.290   27.852   14.152   7.2154  -0.1875   10.689   26.157   9.7800   64.252   29.244  123.509   30.702 -59.25753 42.40085 
1 1 1  -12    9   36 o   75.503   32.396   7.5136   11.361   7.5136   11.361   0.0000   0.0000   75.503   32.396  ?   ?  0.000000 32.39626 
1 1 1  -12    9   37 o   92.966   29.686   15.600   8.0690   8.4819   11.383   22.788   11.439   75.718   32.457  105.366   35.444 -29.64744 48.06005 
1 1 1  -12    9   38 o  101.865   28.711   18.677   7.9014   14.638   11.877   21.884   10.583   85.035   34.521  103.258   34.076 -18.22334 48.50615 
1 1 1  -12    9   39 o   85.004   30.781   14.107   8.7207   17.472   12.389   10.802   12.277   88.193   35.448   76.992   33.359 11.20064 48.67583 
1 1 1  -12    9   40 o   66.134   28.933   5.9142   9.4267   10.380   15.147   3.0907   12.043   75.367   34.498   65.217   30.178 10.14993 45.83499 
1 1 1  -12    9   41 o   71.542   29.094   9.7630   8.4543   21.358   12.268  -0.7231   11.667   90.753   35.664   59.308   28.147 31.44592 45.43330 
1 1 1  -12    9   42 o   63.085   28.461   5.7497   9.8573  -8.5050   19.145   10.891   11.498   60.690   30.260   70.916   31.451 -10.22546 43.64432 
1 1 1  -12   10    1 o  804.548   10.650  840.756   22.194  797.500   44.664  854.939   25.575  779.890   22.109  810.950   12.175 -31.05945 25.24012 
1 1 1  -12   10    2 o  541.182   11.505  380.602   16.128  397.300   30.104  373.879   19.100  550.740   21.102  535.994   13.757 14.74609 25.19028 
1 1 1  -12   10    3 o  421.080   15.032  230.982   16.396  251.900   24.377  213.700   22.157  438.414   21.466  403.306   21.285 35.10800 30.22957 
1 1 1  -12   10    4 o  428.687   10.968  238.766   12.179  270.600   24.792  228.639   13.983  454.448   21.061  419.247   12.876 35.20078 24.68504 
1 1 1  -12   10    5 o  414.895   9.8920  223.533   10.631  211.700   23.558  226.560   11.913  400.879   22.780  417.563   11.014 -16.68323 25.30334 
1 1 1  -12   10    6 o  401.544   10.103  209.420   10.509  214.600   24.045  208.197   11.683  403.442   23.105  400.232   11.270 3.210083 25.70711 
1 1 1  -12   10    7 o  378.829   15.155  187.104   14.871   0.0000   0.0000  187.104   14.871  ?   ?   378.829   15.155 0.000000 15.15453 
1 1 1  -12   10    8 o  381.201   13.410  189.226   13.241   0.0000   0.0000  189.226   13.241  ?   ?   381.201   13.410 0.000000 13.40956 
1 1 1  -12   10    9 o  450.338   9.6588  263.443   11.267  278.958   16.479  249.820   15.440  462.707   13.749  437.901   13.612 24.80579 19.34740 
1 1 1  -12   10   10 o  126.974   16.584   21.421   5.3241   26.991   7.4587   15.636   7.6022  141.863   20.926  106.540   27.394 35.32330 34.47228 
1 1 1  -12   10   11 o  538.951   9.8691  377.526   13.778  369.579   19.640  385.228   19.333  532.237   14.246  543.528   13.732 -11.29150 19.78649 
1 1 1  -12   10   12 o  235.505   11.933   72.413   7.2556   82.703   10.493   62.987   10.043  250.904   16.233  218.462   17.906 32.44113 24.16833 
1 1 1  -12   10   13 o  316.576   10.637  130.425   8.7229  133.057   12.877  128.193   11.858  318.880   15.590  313.190   14.616 5.689423 21.37036 
1 1 1  -12   10   14 o  319.718   18.009  134.797   14.854  131.600   22.954  137.100   19.484  311.642   28.759  320.404   23.643 -8.761505 37.23030 
1 1 1  -12   10   15 o  255.999   11.527   85.459   7.6436   86.522   10.967   84.454   10.659  256.137   16.619  253.118   16.344 3.018143 23.30971 
1 1 1  -12   10   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   10   17 o   65.455   24.727   4.3447   5.7341   3.4572   8.1977   5.1948   8.0235   71.021   28.733   74.619   28.978 -3.597923 40.80787 
1 1 1  -12   10   18 o  272.570   11.669   97.121   8.2387  107.668   12.233   88.366   11.145  285.174   16.633  258.220   16.753 26.95407 23.60768 
1 1 1  -12   10   19 o   99.130   24.521   13.802   6.2616   11.954   8.8799   15.630   8.8307   94.023   31.223  104.895   30.605 -10.87217 43.72112 
1 1 1  -12   10   20 o  176.545   16.111   41.539   7.2865   37.530   10.891   44.787   9.8038  163.850   26.571  181.555   21.249 -17.70567 34.02215 
1 1 1  -12   10   21 o   91.936   26.950   11.914   6.8332  -0.4319   8.5804   33.320   11.298   63.802   27.766  152.487   29.671 -88.68533 40.63638 
1 1 1  -12   10   22 o  145.853   18.352   28.833   6.7799   26.440   9.4804   31.338   9.6999  135.861   27.874  149.025   26.078 -13.16443 38.17067 
1 1 1  -12   10   23 o  192.796   15.432   49.621   7.6419   47.165   10.566   52.315   11.066  184.878   22.530  194.934   22.317 -10.05649 31.71192 
1 1 1  -12   10   24 o  273.244   15.190   99.526   10.709  120.000   22.751   93.698   12.138  287.896   30.997  263.664   17.878 24.23279 35.78328 
1 1 1  -12   10   25 o   80.317   25.604   9.0408   6.0042   20.309   8.7700  -0.9008   8.2376  117.004   29.067   60.843   26.820 56.16047 39.54958 
1 1 1  -12   10   26 o  155.982   17.245   33.173   6.8512   43.677   9.7532   22.941   9.6263  176.790   21.757  123.142   30.369 53.64796 37.35844 
1 1 1  -12   10   27 o  283.358   12.031  106.346   8.8302  109.656   13.164  103.637   11.906  283.369   18.028  276.464   16.704 6.905273 24.57715 
1 1 1  -12   10   28 o  102.239   24.079   15.398   6.2716   21.415   8.8495   9.3265   8.8895  118.155   29.105   82.927   30.898 35.22794 42.44739 
1 1 1  -12   10   29 o   66.425   25.281   5.2502   6.0218   10.871   8.6616  -0.0079   8.3777   86.103   30.738   61.408   27.059 24.69453 40.95106 
1 1 1  -12   10   30 o   99.334   26.583   15.143   6.9746   15.155   9.7516   15.131   9.9796   97.235   32.725   97.122   33.104 0.1128693 46.54901 
1 1 1  -12   10   31 o   97.871   28.631   15.151   7.7190   6.7509   9.6609   29.980   12.837   76.389   31.087  131.263   36.454 -54.87387 47.90946 
1 1 1  -12   10   32 o  116.216   23.270   20.234   6.7608   30.320   9.1989   8.3844   9.9701  140.521   26.237   79.500   31.854 61.02126 41.26784 
1 1 1  -12   10   33 o   69.308   30.330   2.9005   10.365   10.070   16.965  -1.3700   13.093   88.236   38.703   69.258   31.838 18.97806 50.11610 
1 1 1  -12   10   34 o   72.708   27.158   7.7459   6.8766   18.922   10.678  -0.1735   8.9885  101.892   34.245   60.533   27.256 41.35952 43.76736 
1 1 1  -12   10   35 o   55.957   25.186  -0.3099   7.6677   6.0470   10.780  -6.8186   10.908   72.975   31.439   56.768   27.022 16.20668 41.45547 
1 1 1  -12   10   36 o   77.777   28.305   10.104   7.3876   3.8630   10.626   15.942   10.278   68.146   30.228   91.335   33.364 -23.18838 45.02096 
1 1 1  -12   10   37 o   79.956   29.647   11.373   8.1649   11.643   11.407   11.089   11.692   80.283   33.337   79.376   33.411 0.9067230 47.19804 
1 1 1  -12   10   38 o   59.609   26.409   2.4664   8.0862   4.9045   10.862  -0.5648   12.111   67.806   30.288   62.972   29.512 4.833233 42.28878 
1 1 1  -12   10   39 o   67.908   26.712   7.5420   6.8887   1.6693   9.2985   14.686   10.256   59.918   27.273   83.705   32.691 -23.78709 42.57396 
1 1 1  -12   10   40 o  132.062   32.306   35.175   10.960   45.370   13.821   17.900   17.991  141.314   37.236   81.421   37.390 59.89378 52.76851 
1 1 1  -12   10   41 o  217.165   21.394   76.902   11.878   77.667   14.561   75.380   20.537  203.706   28.365  152.318   47.188 51.38824 55.05723 
1 1 1  -12   11    1 o  704.215   12.134  644.959   22.135  627.400   38.868  653.387   26.928  691.423   21.702  708.122   14.681 -16.69861 26.20093 
1 1 1  -12   11    2 o   85.229   24.227   9.8090   5.6015   16.510   16.433   8.9280   5.9583  117.806   42.307   82.298   25.404 35.50769 49.34839 
1 1 1  -12   11    3 o  177.551   13.427   41.272   6.1294   34.930   17.796   42.125   6.5289  157.445   42.600  179.278   14.175 -21.83296 44.89664 
1 1 1  -12   11    4 o  467.972   9.9382  284.459   12.047  253.200   26.387  292.690   13.540  438.063   23.339  474.537   11.016 -36.47412 25.80764 
1 1 1  -12   11    5 o  630.470   11.462  516.853   18.719   0.0000   0.0000  516.853   18.719  ?   ?   630.470   11.462 0.000000 11.46247 
1 1 1  -12   11    6 o  454.880   13.132  269.428   15.473   0.0000   0.0000  269.428   15.473  ?   ?   454.880   13.132 0.000000 13.13204 
1 1 1  -12   11    7 o  274.357   13.154   98.035   9.3483   76.190   19.917  104.208   10.587  236.207   33.490  282.323   14.526 -46.11662 36.50443 
1 1 1  -12   11    8 o  359.350   10.630  167.887   9.8943  165.600   24.052  168.353   10.855  352.467   26.539  359.711   11.650 -7.243896 28.98328 
1 1 1  -12   11    9 o  358.292   10.809  166.958   10.032  163.000   23.455  167.844   11.098  349.626   26.087  359.078   11.932 -9.452423 28.68648 
1 1 1  -12   11   10 o  272.609   13.065   96.876   9.2256   83.780   20.610  100.157   10.317  247.365   32.987  276.621   14.449 -29.25551 36.01267 
1 1 1  -12   11   11 o  136.599   16.162   24.753   5.6076   28.702   8.4000   21.578   7.5317  145.637   23.033  125.634   24.019 20.00342 33.27805 
1 1 1  -12   11   12 o  440.998   9.9304  252.979   11.344  264.816   16.586  242.576   15.549  450.171   14.224  430.931   13.930 19.23962 19.90867 
1 1 1  -12   11   13 o  354.548   17.211  165.130   15.806  169.200   24.431  162.200   20.729  354.452   26.808  348.736   23.078 5.715790 35.37278 
1 1 1  -12   11   14 f  317.389   10.742  131.263   8.8316  128.779   12.848  133.489   12.160  312.856   15.907  319.225   14.706 -6.368774 21.66267 
1 1 1  -12   11   15 o  169.881   14.810   38.126   6.4517   43.137   9.2358   33.350   9.0165  179.340   20.235  156.622   22.901 22.71838 30.56022 
1 1 1  -12   11   16 o  509.931   10.269  339.026   13.564  340.516   19.600  337.657   18.790  509.205   14.860  507.322   14.298 1.882599 20.62162 
1 1 1  -12   11   17 o  339.995   10.953  150.958   9.6460  154.664   13.753  147.371   13.533  342.734   15.491  334.510   15.618 8.223328 21.99772 
1 1 1  -12   11   18 o  181.239   14.578   43.490   6.7859   47.757   9.8499   39.635   9.3621  188.038   20.558  170.726   21.657 17.31181 29.86043 
1 1 1  -12   11   19 o  166.564   16.858   37.112   7.1731   38.920   10.953   35.755   9.4921  167.078   26.166  161.133   23.428 5.944778 35.12217 
1 1 1  -12   11   20 o  156.658   19.186   33.248   7.6229   38.451   9.9598   25.890   11.844  166.823   23.716  132.281   34.285 34.54146 41.68847 
1 1 1  -12   11   21 o  202.336   14.477   54.335   7.5376   48.120   10.702   60.453   10.618  187.158   22.528  211.420   19.612 -24.26199 29.86872 
1 1 1  -12   11   22 o  244.781   18.730   80.821   11.786   80.821   11.786   0.0000   0.0000  244.781   18.730  ?   ?  0.000000 18.73014 
1 1 1  -12   11   23 o  143.718   33.797   31.164   12.370   48.960   19.886   19.930   15.799  173.219   44.181  115.617   41.488 57.60272 60.60677 
1 1 1  -12   11   24 o  143.835   17.914   28.232   6.5297   22.966   9.0696   33.898   9.4083  124.835   28.655  154.780   24.264 -29.94542 37.54767 
1 1 1  -12   11   25 o  383.766   10.964  193.896   10.899  172.095   15.552  214.937   15.279  357.663   16.787  401.465   14.693 -43.80243 22.30871 
1 1 1  -12   11   26 o   86.367   26.105   10.895   6.3348   9.1939   8.8861   12.652   9.0333   83.356   30.924   92.719   31.496 -9.362854 44.13950 
1 1 1  -12   11   27 o  220.623   13.811   65.300   7.8529   65.437   11.204   65.167   11.010  216.689   20.195  216.491   19.854 0.1982880 28.31956 
1 1 1  -12   11   28 o   81.613   26.443   9.7877   6.3844   16.777   8.8732   2.2850   9.1932  103.297   30.822   67.915   29.142 35.38167 42.41747 
1 1 1  -12   11   29 o  129.804   21.694   24.341   7.0369   31.349   10.069   17.652   9.8380  142.969   28.192  104.244   32.720 38.72455 43.19016 
1 1 1  -12   11   30 o  179.598   21.638   46.456   9.8635   44.370   13.574   48.790   14.357  165.319   32.856  173.181   33.213 -7.862015 46.71861 
1 1 1  -12   11   31 o  206.257   15.271   58.368   8.1006   66.009   11.711   51.358   11.217  213.820   21.433  186.267   23.792 27.55341 32.02205 
1 1 1  -12   11   32 o  162.162   23.179   39.157   9.4594   31.999   10.913   60.790   18.972  139.315   31.035  178.776   41.728 -39.46053 52.00412 
1 1 1  -12   11   33 o   59.157   26.183   0.6314   7.9297  -3.1630   19.895   1.3481   8.6462   77.702   36.842   62.310   27.471 15.39185 45.95679 
1 1 1  -12   11   34 o   64.328   26.724   4.3611   7.3353   0.6196   10.602   7.7967   10.160   64.942   29.387   75.770   31.462 -10.82855 43.05203 
1 1 1  -12   11   35 o   45.758   21.812  -6.1372   7.1617 -15.3376   10.148   2.9907   10.108   47.156   23.246   66.347   29.454 -19.19065 37.52209 
1 1 1  -12   11   36 o  107.432   28.155   20.108   7.9299   26.426   10.650   12.245   11.880  116.912   33.466   81.967   34.028 34.94527 47.72698 
1 1 1  -12   11   37 o  135.411   25.295   30.366   8.5462   37.303   11.728   22.511   12.479  139.699   32.945   99.664   36.709 40.03553 49.32501 
1 1 1  -12   11   38 o   58.065   25.764   2.2745   7.7246   13.178   11.290  -7.3231   10.592   80.563   33.286   52.976   25.582 27.58656 41.98039 
1 1 1  -12   11   39 o   60.486   27.464   2.4421   9.3540   2.0310   14.413   2.7412   12.295   66.444   31.462   64.881   30.184 1.562996 43.59977 
1 1 1  -12   11   40 f   58.958   27.073   2.0650   9.4302   11.824   11.985 -13.8000   15.281   74.454   32.597   55.426   27.536 19.02801 42.67090 
1 1 1  -12   11   41 o   81.692   34.781   18.903   12.912   14.650   18.100   23.310   18.425   73.616   34.973   80.710   37.340 -7.094177 51.16098 
1 1 1  -12   12    1 o  342.848   11.857  152.923   10.530  160.000   22.274  150.887   11.949  347.199   24.933  340.323   13.555 6.875702 28.37969 
1 1 1  -12   12    2 o  507.563   11.097  334.983   14.590   0.0000   0.0000  334.983   14.590  ?   ?   507.563   11.097 0.000000 11.09733 
1 1 1  -12   12    3 o  564.218   13.211  414.655   19.308   0.0000   0.0000  414.655   19.308  ?   ?   564.218   13.211 0.000000 13.21100 
1 1 1  -12   12    4 o  279.615   13.396  101.867   9.7026   0.0000   0.0000  101.867   9.7026  ?   ?   279.615   13.396 0.000000 13.39610 
1 1 1  -12   12    5 o  633.514   11.604  522.191   19.042  595.300   38.250  498.102   21.956  672.441   21.960  618.168   13.712 54.27283 25.88942 
1 1 1  -12   12    6 o  370.008   10.295  177.979   9.8669  163.900   22.830  181.213   10.942  350.939   25.283  373.208   11.318 -22.26965 27.70117 
1 1 1  -12   12    7 o  458.387   10.190  273.177   12.099  257.600   27.724  276.841   13.447  440.540   24.391  461.257   11.255 -20.71765 26.86204 
1 1 1  -12   12    8 o  473.842   12.617  292.587   15.486  305.300   28.904  287.469   18.340  480.525   23.222  469.060   15.094 11.46497 27.69652 
1 1 1  -12   12    9 o  284.596   11.547  105.473   8.5126  142.800   21.861   98.802   9.2421  326.590   26.059  275.254   12.962 51.33606 29.10460 
1 1 1  -12   12   10 o  280.779   12.023  102.751   8.7443  120.700   22.195   99.453   9.5137  298.560   29.069  276.042   13.305 22.51797 31.96907 
1 1 1  -12   12   11 f  456.676   11.825  271.881   13.988  291.500   28.458  265.632   16.062  467.809   23.560  450.878   13.753 16.93073 27.28020 
1 1 1  -12   12   12 o  276.386   13.664   99.873   9.7825  107.739   11.479   79.000   18.698  286.266   15.538  239.584   30.846 46.68146 34.53853 
1 1 1  -12   12   13 o  229.204   15.405   69.228   9.0931   65.630   21.056   70.053   10.082  213.459   39.536  230.136   17.033 -16.67700 43.04948 
1 1 1  -12   12   14 o  124.418   18.148   20.845   5.6767   23.836   8.2156   18.111   7.8528  131.232   25.083  113.628   27.067 17.60380 36.90206 
1 1 1  -12   12   15 o  594.143   14.424  463.399   22.199   0.0000   0.0000  463.399   22.199  ?   ?   594.143   14.424 0.000000 14.42412 
1 1 1  -12   12   16 o  270.759   11.820   95.888   8.2902   99.969   12.121   92.300   11.364  274.485   17.133  263.860   16.713 10.62543 23.93474 
1 1 1  -12   12   17 o  213.768   19.244   61.317   10.542   61.317   10.542   0.0000   0.0000  213.768   19.244  ?   ?  0.000000 19.24405 
1 1 1  -12   12   18 f   81.629   25.181   9.1433   5.8552   1.6046   8.3203   16.540   8.2414   66.894   28.172  107.441   28.957 -40.54672 40.40028 
1 1 1  -12   12   19 o   73.549   27.096   6.2643   6.7993   8.2590   8.8738   3.4280   10.581   83.432   30.913   77.030   32.057 6.402756 44.53398 
1 1 1  -12   12   20 o  262.769   12.490   90.761   8.5016   94.247   12.160   87.426   11.891  265.227   17.802  255.264   18.101 9.962753 25.38844 
1 1 1  -12   12   21 o  140.178   19.383   26.871   6.8497   14.887   9.5915   39.344   9.7853  101.551   32.359  168.442   23.031 -66.89148 39.71821 
1 1 1  -12   12   22 o  251.697   12.672   83.731   8.2352   72.591   11.590   95.092   11.704  231.111   19.543  266.142   17.067 -35.03180 25.94637 
1 1 1  -12   12   23 o  275.387   19.503  103.263   13.822  114.500   21.317   95.110   18.157  281.375   29.696  258.099   27.585 23.27493 40.53166 
1 1 1  -12   12   24 o  164.620   15.868   36.596   6.6824   39.650   9.9644   34.099   9.0084  167.474   23.626  155.421   23.077 12.05312 33.02630 
1 1 1  -12   12   25 o   91.040   25.102   12.146   6.1108   4.2074   9.1955   18.425   8.1777   72.678   30.035  110.704   28.384 -38.02597 41.32486 
1 1 1  -12   12   26 o  263.130   12.417   91.978   8.4634   90.839   12.321   92.995   11.646  256.940   18.639  261.022   17.323 -4.081787 25.44572 
1 1 1  -12   12   27 o  141.608   19.214   28.115   6.8657   27.928   9.7639   28.297   9.6562  135.135   28.776  136.419   28.256 -1.283661 40.32894 
1 1 1  -12   12   28 o  145.985   18.545   29.856   6.8545   34.489   9.7643   25.354   9.6246  152.168   25.687  127.154   29.750 25.01420 39.30479 
1 1 1  -12   12   29 o   49.421   22.804  -3.6284   6.8042   4.9830   10.442  -9.9820   8.9697   74.634   31.503   49.810   23.922 24.82443 39.55643 
1 1 1  -12   12   30 o   72.989   27.906   7.0515   7.3583   2.7325   9.6604   13.020   11.356   68.482   29.631   90.914   34.690 -22.43143 45.62243 
1 1 1  -12   12   31 o  157.234   18.451   35.088   7.3719   38.578   9.8149   30.571   11.166  159.994   24.460  134.959   32.361 25.03568 40.56450 
1 1 1  -12   12   32 o   73.683   32.714   3.4913   12.472 -10.7800   19.620   13.170   16.157   72.368   34.913   90.975   38.824 -18.60761 52.21342 
1 1 1  -12   12   33 o  108.028   26.945   19.000   7.5145   23.268   11.648   15.958   9.8348  110.673   35.702   94.559   32.836 16.11423 48.50629 
1 1 1  -12   12   34 o   68.691   27.460   6.4425   7.3911  -0.1552   10.744   12.371   10.184   63.522   29.068   84.184   32.660 -20.66223 43.72199 
1 1 1  -12   12   35 o   61.862   26.609   3.4729   7.6986  -1.4727   10.569   9.0637   11.237   60.590   28.119   76.650   32.535 -16.06013 43.00238 
1 1 1  -12   12   36 o   64.714   27.263   5.1998   7.7967   9.2408   10.870   0.9171   11.190   75.319   31.986   63.679   29.333 11.64000 43.39928 
1 1 1  -12   12   37 o   61.554   26.895   3.7172   8.1218  -6.7752   11.683   13.530   11.299   55.990   26.994   81.588   33.458 -25.59809 42.98983 
1 1 1  -12   12   38 o   97.822   31.037   19.285   8.8307   6.3691   12.201   33.492   12.797   69.404   31.455  119.975   37.262 -50.57150 48.76373 
1 1 1  -12   12   39 o   58.514   27.242   0.6146   10.044  -4.3200   14.067   5.7470   14.346   59.967   29.082   68.673   32.163 -8.706062 43.36182 
1 1 1  -12   12   40 o   52.494   24.440  -0.4088   8.0857   14.801   11.077 -17.7538   11.829   78.276   32.707   46.620   23.327 31.65566 40.17303 
1 1 1  -12   12   41 o   72.966   31.307   13.032   10.609   6.6140   21.396   15.124   12.217   67.032   33.175   74.829   32.833 -7.797623 46.67546 
1 1 1  -12   13    1 o  366.926   11.194  175.176   10.639  161.600   22.098  179.272   12.139  348.549   24.635  370.958   12.633 -22.40945 27.68530 
1 1 1  -12   13    2 o  338.371   10.297  148.871   9.0252  161.600   21.810  146.241   9.9138  348.643   24.302  335.218   11.417 13.42554 26.85051 
1 1 1  -12   13    3 o  350.623   12.984  160.233   11.792  154.500   22.773  162.333   13.784  340.145   26.044  352.523   15.095 -12.37753 30.10238 
1 1 1  -12   13    4 o  284.279   11.054  105.159   8.1400  119.100   21.629  102.858   8.7860  297.435   28.420  281.026   12.070 16.40894 30.87640 
1 1 1  -12   13    5 o  635.782   10.261  525.703   16.898  569.600   37.849  514.775   18.885  656.776   22.248  628.779   11.595 27.99786 25.08814 
1 1 1  -12   13    6 o  160.929   15.895   34.208   6.5393   8.7420   19.167   37.562   6.9567  108.075   43.861  168.661   16.120 -60.58572 46.72911 
1 1 1  -12   13    7 o  233.513   12.693   71.314   7.6490   80.380   20.071   69.773   8.2733  241.700   32.914  230.746   13.907 10.95451 35.73100 
1 1 1  -12   13    8 f  598.271   10.377  465.818   16.081  503.500   36.067  456.468   17.965  616.468   22.586  591.844   11.719 24.62433 25.44527 
1 1 1  -12   13    9 o  403.440   13.386  212.603   13.988  234.800   26.112  203.669   16.566  419.361   24.140  394.089   16.228 25.27283 29.08771 
1 1 1  -12   13   10 o  217.034   14.036   61.866   7.8488   63.280   20.805   61.632   8.4750  210.037   39.694  216.357   15.219 -6.320190 42.51163 
1 1 1  -12   13   11 o  227.419   13.419   67.870   7.8698   63.490   20.414   68.635   8.5291  210.281   38.912  228.457   14.488 -18.17563 41.52123 
1 1 1  -12   13   12 o  237.470   22.398   75.782   13.615   73.230   20.632   77.750   18.120  227.008   36.311  237.183   30.177 -10.17509 47.21381 
1 1 1  -12   13   13 o   94.871   27.548   12.504   7.1701   50.040   19.682   6.7602   7.6992  183.387   42.296   77.833   28.803 105.5542 51.17199 
1 1 1  -12   13   14 o  181.528   14.087   43.504   6.5719   37.377   9.2057   49.872   9.3849  165.878   21.965  193.002   19.019 -27.12418 29.05527 
1 1 1  -12   13   15 o  220.645   18.693   65.097   10.583   65.097   10.583   0.0000   0.0000  220.645   18.693  ?   ?  0.000000 18.69306 
1 1 1  -12   13   16 o   59.876   23.845   2.7764   5.5527   1.8074   7.7520   3.7974   7.9575   65.460   27.357   70.568   28.393 -5.108650 39.42792 
1 1 1  -12   13   17 o   94.722   24.412   12.657   6.0272   15.175   8.9442   10.563   8.1576  103.073   30.988   88.749   29.931 14.32375 43.08308 
1 1 1  -12   13   18 o  292.510   14.214  112.852   10.770  107.200   15.040  118.800   15.429  281.552   20.770  296.802   20.188 -15.25040 28.96458 
1 1 1  -12   13   19 o  300.310   17.233  120.542   13.349  120.542   13.349   0.0000   0.0000  300.310   17.233  ?   ?  0.000000 17.23263 
1 1 1  -12   13   20 o  190.825   15.048   48.559   7.3776   45.629   10.281   51.670   10.594  181.878   22.288  194.111   21.426 -12.23213 30.91649 
1 1 1  -12   13   21 o  175.102   15.278   41.047   6.8601   38.393   9.8169   43.580   9.5905  165.706   23.532  177.867   21.236 -12.16071 31.69720 
1 1 1  -12   13   22 f  191.924   17.885   49.972   8.7892   41.805   10.232   72.960   17.166  172.597   23.497  223.510   30.442 -50.91222 38.45539 
1 1 1  -12   13   23 o  126.222   28.478   23.632   9.0897   0.0000   0.0000   23.632   9.0897  ?   ?   126.222   28.478 0.000000 28.47844 
1 1 1  -12   13   24 o  195.107   14.565   51.129   7.3078   52.968   10.269   49.242   10.402  195.207   20.621  187.392   21.838 7.815338 30.03594 
1 1 1  -12   13   25 o  116.444   22.631   19.556   6.5801   16.035   9.2798   23.117   9.3318  101.751   31.752  122.817   29.666 -21.06579 43.45451 
1 1 1  -12   13   26 o   85.112   26.705   10.771   6.5539   10.310   9.3880   11.210   9.1535   85.568   31.778   87.634   31.565 -2.065414 44.79033 
1 1 1  -12   13   27 o  153.334   19.028   33.018   7.3953   40.009   10.682   26.583   10.248  163.844   26.041  129.373   30.990 34.47025 40.47834 
1 1 1  -12   13   28 f  121.053   22.563   21.522   6.8148   18.538   9.7804   24.339   9.5008  106.106   32.513  123.633   29.977 -17.52672 44.22387 
1 1 1  -12   13   29 o  104.220   30.038   17.617   8.5532   11.210   11.885   24.500   12.319   87.589   34.885  117.559   36.567 -29.97037 50.53802 
1 1 1  -12   13   30 o   73.960   27.176   7.8137   6.8335   4.6321   9.8131   10.809   9.5216   71.594   30.397   84.125   31.844 -12.53051 44.02293 
1 1 1  -12   13   31 o  226.854   14.489   70.662   8.4695   76.323   12.209   65.410   11.759  229.128   20.797  210.859   21.846 18.26920 30.16267 
1 1 1  -12   13   32 o  100.301   32.865   18.002   9.8507   54.370   21.406   8.2308   11.095  149.947   48.402   78.188   32.707 71.75902 58.41642 
1 1 1  -12   13   33 o  128.108   25.039   26.051   8.0111   21.447   11.462   30.447   11.201  104.802   35.479  129.420   33.238 -24.61784 48.61626 
1 1 1  -12   13   34 o  128.340   25.436   26.743   8.1572   22.408   11.389   31.310   11.689  105.144   35.367  127.509   34.536 -22.36517 49.43218 
1 1 1  -12   13   35 o   70.560   28.199   7.7447   7.7914   6.2843   11.532   8.9711   10.568   71.478   31.609   74.962   31.670 -3.484619 44.74461 
1 1 1  -12   13   36 o   85.363   30.439   14.044   8.4921   5.4612   12.153   22.234   11.872   69.700   31.509   99.198   35.915 -29.49825 47.77744 
1 1 1  -12   13   37 o   94.294   29.512   17.169   8.0098   20.741   10.806   12.812   11.933   96.322   34.337   78.863   33.503 17.45901 47.97387 
1 1 1  -12   13   38 o   46.739   22.446  -5.6363   7.8939  -2.6560   10.639  -9.2862   11.774   56.258   26.752   52.835   25.839 3.423763 37.19357 
1 1 1  -12   13   39 o   67.041   29.414   7.6507   9.8040   0.7071   12.305   19.720   16.223   60.842   28.885   81.388   36.634 -20.54559 46.65174 
1 1 1  -12   13   40 o  101.667   33.662   25.326   10.325   22.947   12.002   32.100   20.249   89.736   35.271   85.225   39.329 4.511162 52.82851 
1 1 1  -12   14    1 o  406.049   10.150  214.487   10.676  215.300   25.384  214.313   11.767  401.861   24.503  405.689   11.197 -3.827820 26.94005 
1 1 1  -12   14    2 o  620.090   10.255  500.276   16.471  467.900   34.706  509.689   18.713  594.531   22.536  625.514   11.549 -30.98291 25.32311 
1 1 1  -12   14    3 o  453.346   12.515  268.020   14.696  261.800   26.967  270.647   17.527  443.628   23.552  454.919   14.874 -11.29175 27.85545 
1 1 1  -12   14    4 o  444.126   10.262  256.680   11.805  248.500   27.384  258.547   13.084  431.533   24.600  445.506   11.338 -13.97342 27.08699 
1 1 1  -12   14    5 o  250.634   12.109   81.912   7.8616   78.230   20.932   82.517   8.4826  236.940   35.173  251.082   13.088 -14.14174 37.52891 
1 1 1  -12   14    6 o  182.532   14.661   43.871   6.8736   44.750   19.786   43.750   7.3302  174.750   43.797  182.063   15.697 -7.313278 46.52449 
1 1 1  -12   14    7 o  112.784   21.479   17.382   6.0459   31.080   18.980   15.835   6.3782  146.404   45.365  107.091   23.627 39.31310 51.14861 
1 1 1  -12   14    8 o   95.121   23.396   12.521   5.7246   14.360   17.982   12.314   6.0388  113.648   43.584   94.285   24.502 19.36330 49.99910 
1 1 1  -12   14    9 o  299.072   11.758  116.739   9.1088   91.760   21.436  122.244   10.063  256.767   32.993  305.846   12.701 -49.07922 35.35299 
1 1 1  -12   14   10 o  204.377   14.403   55.025   7.5760   76.940   20.092   51.393   8.1797  233.827   34.182  197.046   16.168 36.78026 37.81278 
1 1 1  -12   14   11 o  175.633   29.503   43.092   12.946   55.930   20.369   34.390   16.770  194.463   41.689  152.177   41.429 42.28554 58.77353 
1 1 1  -12   14   12 o  347.661   11.691  157.990   10.528  124.300   24.630  165.521   11.645  298.004   32.431  355.576   12.644 -57.57190 34.80828 
1 1 1  -12   14   13 f  215.859   14.139   61.471   7.8617   53.100   21.243   62.799   8.4626  186.342   44.604  217.916   15.085 -31.57356 47.08554 
1 1 1  -12   14   14 o  187.027   17.853   46.810   8.5438   30.240   20.924   50.126   9.3597  141.029   47.935  193.211   18.945 -52.18246 51.54266 
1 1 1  -12   14   15 o  151.711   15.822   30.736   6.1261   40.184   8.6755   21.340   8.6517  172.345   19.792  122.265   27.930 50.08041 34.23174 
1 1 1  -12   14   16 f  182.676   15.228   44.391   7.1398   45.230   11.111   43.802   9.3185  180.839   24.337  179.604   20.391 1.234879 31.75091 
1 1 1  -12   14   17 o  235.768   15.103   73.817   9.1748   74.100   13.035   73.540   12.916  233.136   21.840  232.313   21.715 0.8237152 30.79817 
1 1 1  -12   14   18 o  165.141   16.064   36.548   6.7847   38.996   9.7845   34.281   9.4161  167.760   23.132  156.762   23.949 10.99873 33.29608 
1 1 1  -12   14   19 o  297.063   11.834  116.017   9.1058  111.497   13.232  120.084   12.550  288.022   17.823  299.874   16.217 -11.85172 24.09700 
1 1 1  -12   14   20 o  229.866   13.445   70.095   7.9706   62.185   11.700   76.946   10.888  212.543   21.549  238.831   17.727 -26.28798 27.90317 
1 1 1  -12   14   21 f  224.210   13.761   66.897   7.9536   78.782   11.241   54.980   11.256  241.078   18.133  198.922   22.224 42.15678 28.68312 
1 1 1  -12   14   22 f  122.548   36.975   23.876   12.717   13.040   20.116   31.090   16.413  105.384   44.058  136.266   42.180 -30.88203 60.99347 
1 1 1  -12   14   23 o   64.403   25.154   4.2455   6.0725   9.6873   8.7244  -0.8682   8.4573   84.456   30.756   61.076   27.036 23.37994 40.94979 
1 1 1  -12   14   24 o  189.394   15.688   48.656   7.6272   55.510   11.228   42.782   10.393  198.039   22.274  172.539   23.897 25.50012 32.66780 
1 1 1  -12   14   25 o   91.582   26.133   12.615   6.5046   14.385   9.1297   10.790   9.2696   96.244   31.645   86.616   31.678 9.627556 44.77596 
1 1 1  -12   14   26 o  143.601   18.738   28.947   6.8038   28.383   9.6840   29.496   9.5612  135.744   28.451  139.174   27.497 -3.430389 39.56698 
1 1 1  -12   14   27 f   56.001   24.087   1.0373   6.3072  -3.7647   9.0417   5.5885   8.8024   57.240   26.367   72.552   29.616 -15.31146 39.65289 
1 1 1  -12   14   28 o  107.727   26.751   18.096   7.4305   20.740   11.064   15.924   10.029  109.617   34.737   97.832   33.186 11.78522 48.04069 
1 1 1  -12   14   29 o  150.723   19.799   32.661   7.5430   40.295   11.157   26.234   10.237  160.478   27.850  125.516   31.529 34.96225 42.06746 
1 1 1  -12   14   30 o   68.230   26.824   5.8790   6.9428   3.8946   9.3820   8.2810   10.322   68.754   29.469   78.538   32.067 -9.783470 43.55118 
1 1 1  -12   14   31 o  119.890   30.956   24.623   9.6800   30.160   11.448   10.730   18.133  130.093   33.700   87.711   39.160 42.38161 51.66479 
1 1 1  -12   14   32 o   67.718   27.455   5.8346   7.5020   4.2125   10.831   7.3305   10.401   70.169   30.848   74.741   31.489 -4.571571 44.08093 
1 1 1  -12   14   33 o  122.676   25.937   24.632   7.9843   19.585   11.390   29.507   11.195   98.602   35.243  124.871   33.790 -26.26940 48.82444 
1 1 1  -12   14   34 o  115.756   26.468   22.628   7.7634   14.584   11.872   28.637   10.261   85.568   34.592  123.915   31.808 -38.34782 46.99281 
1 1 1  -12   14   35 o  205.278   18.277   62.669   9.6166   86.169   14.090   42.174   13.158  230.791   23.916  143.770   35.535 87.02101 42.83355 
1 1 1  -12   14   36 o  177.888   20.062   48.899   9.0826   58.182   12.747   39.324   12.945  181.397   28.031  134.747   36.282 46.65048 45.84886 
1 1 1  -12   14   37 o  109.237   30.509   23.642   8.9642   22.056   12.773   25.182   12.584   92.730   36.406   99.573   36.828 -6.842567 51.78543 
1 1 1  -12   14   38 o   57.417   26.964  -0.0339   10.201   2.4830   15.119  -2.1370   13.820   65.419   31.323   60.537   29.230 4.882019 42.84260 
1 1 1  -12   14   39 o   71.512   29.749   10.901   9.1069   9.5587   12.912   12.230   12.847   69.025   31.689   72.227   32.547 -3.201828 45.42580 
1 1 1  -12   14   40 o   52.029   26.001 -12.7055   14.493 -16.2600   21.712  -9.8490   19.464   57.623   29.177   58.193   29.230 -0.5702209 41.29986 
1 1 1  -12   15    1 o  309.273   14.017  125.132   11.229  109.300   21.175  131.326   13.245  283.013   29.310  315.897   16.242 -32.88336 33.50931 
1 1 1  -12   15    2 o  212.111   12.938   58.988   7.0748   41.420   19.427   61.674   7.5964  167.505   44.151  216.768   13.598 -49.26352 46.19708 
1 1 1  -12   15    3 o  283.477   11.499  104.801   8.4433  109.000   21.703  104.052   9.1653  282.055   30.174  282.278   12.535 -0.2233887 32.67417 
1 1 1  -12   15    4 o  337.203   12.192  148.441   10.649  179.000   24.977  141.652   11.773  364.011   26.675  329.033   13.813 34.97888 30.03913 
1 1 1  -12   15    5 o  133.442   19.038   23.966   6.3941   51.900   19.348   20.541   6.7747  188.695   40.775  122.541   22.159 66.15381 46.40737 
1 1 1  -12   15    6 o  245.480   12.600   78.957   7.9847   94.920   21.176   76.311   8.6211  261.614   31.911  241.026   13.867 20.58833 34.79334 
1 1 1  -12   15    7 o   69.273   25.043   5.4975   5.7689   5.0170   17.364   5.5571   6.1163   97.349   40.833   70.401   25.734 26.94872 48.26548 
1 1 1  -12   15    8 f  239.280   13.185   75.176   8.1408  112.300   21.244   68.786   8.8136  285.784   29.104  228.398   14.980 57.38655 32.73270 
1 1 1  -12   15    9 o  285.223   11.955  106.351   8.8327  142.000   23.546  100.513   9.5285  321.562   28.566  276.983   13.281 44.57919 31.50232 
1 1 1  -12   15   10 o  256.700   22.477   88.926   14.795   97.970   23.084   82.620   19.274  262.548   34.800  242.842   31.375 19.70694 46.85574 
1 1 1  -12   15   11 o  255.366   14.815   86.092   9.7574   84.610   22.611   86.431   10.816  241.581   37.337  255.312   16.443 -13.73116 40.79701 
1 1 1  -12   15   12 o  217.212   14.173   62.312   7.9306   57.360   22.237   63.034   8.4888  192.490   45.345  218.186   15.113 -25.69579 47.79709 
1 1 1  -12   15   13 o  143.780   19.238   28.033   6.9852   50.140   21.376   25.390   7.3910  178.505   45.956  135.889   21.730 42.61620 50.83433 
1 1 1  -12   15   14 o  213.236   15.251   60.379   8.3682   38.370   21.812   64.177   9.0616  154.303   48.759  219.589   16.042 -65.28532 51.33049 
1 1 1  -12   15   15 o  139.805   21.964   26.991   7.6917   0.0000   0.0000   26.991   7.6917  ?   ?   139.805   21.964 0.000000 21.96378 
1 1 1  -12   15   16 o  104.225   29.841   15.750   8.4666   21.850   20.076   14.430   9.3375  123.083   46.320  100.391   31.922 22.69239 56.25399 
1 1 1  -12   15   17 o   78.374   24.912   8.4405   5.6874   7.8274   8.0584   9.0489   8.0282   80.155   29.503   83.484   29.615 -3.328995 41.80239 
1 1 1  -12   15   18 o  111.392   21.757   17.421   6.0525   15.511   8.8253   19.116   8.3165  102.848   30.750  114.386   28.238 -11.53814 41.74905 
1 1 1  -12   15   19 o   83.122   25.805   9.7586   6.1380   12.561   8.8420   7.1517   8.5276   93.760   31.157   78.797   30.062 14.96275 43.29525 
1 1 1  -12   15   20 o  143.339   18.966   28.263   6.8689   29.466   9.6848   27.045   9.7436  142.286   27.270  135.417   28.671 6.869003 39.56825 
1 1 1  -12   15   21 o   68.949   31.246  -3.1811   12.035 -12.9000   19.697   2.6090   15.203   77.927   36.864   83.957   36.737 -6.029205 52.04408 
1 1 1  -12   15   22 o  137.816   18.811   26.338   6.5399   24.098   9.7762   28.153   8.7984  125.541   30.389  139.061   25.360 -13.52081 39.58089 
1 1 1  -12   15   23 o  102.375   25.046   15.545   6.5873   22.318   9.4963   9.2636   9.1453  119.944   30.497   83.192   31.272 36.75143 43.68035 
1 1 1  -12   15   24 o  161.083   17.587   35.881   7.2191   32.603   10.442   38.882   9.9918  146.298   28.579  163.282   24.370 -16.98364 37.55866 
1 1 1  -12   15   25 o  125.736   22.243   22.993   6.9793   22.974   9.8115   23.012   9.9299  119.616   31.303  119.504   31.597 0.1119461 44.47726 
1 1 1  -12   15   26 o   96.784   26.469   14.483   6.8268   25.264   9.9100   4.7467   9.4179  125.203   30.775   72.000   30.127 53.20390 43.06651 
1 1 1  -12   15   27 f  105.850   26.200   17.402   7.1451   12.250   11.473   20.666   9.1321   89.159   34.645  112.383   30.563 -23.22434 46.19880 
1 1 1  -12   15   28 o  214.909   15.885   63.880   8.7799   61.632   10.866   68.110   14.904  206.752   20.561  208.513   28.327 -1.761200 35.00278 
1 1 1  -12   15   29 o   54.334   24.143  -0.2152   6.8074  -1.6086   9.8763   1.0460   9.3959   61.317   27.987   63.950   28.393 -2.633625 39.86753 
1 1 1  -12   15   30 o   39.713   19.359  -9.5568   6.4561 -13.8332   9.2251  -5.4518   9.0383   46.135   22.627   53.600   25.238 -7.464558 33.89605 
1 1 1  -12   15   31 o   67.557   30.238   2.3372   10.884   5.7840   15.352  -1.1460   15.433   78.185   35.373   71.211   33.354 6.974091 48.61806 
1 1 1  -12   15   32 o  120.085   24.762   23.169   7.4466   26.915   10.737   19.696   10.337  119.521   33.391  100.887   33.695 18.63405 47.43749 
1 1 1  -12   15   33 o   99.655   29.070   17.879   7.9676   13.325   11.778   21.722   10.819   83.377   34.172  103.049   34.471 -19.67168 48.53834 
1 1 1  -12   15   34 o   77.362   29.544   10.841   8.2410   7.6055   11.974   13.752   11.359   72.639   32.161   82.538   33.662 -9.898491 46.55661 
1 1 1  -12   15   35 o   76.304   27.339   10.543   6.8581   6.4450   9.5180   14.969   9.8902   67.552   29.320   84.598   32.351 -17.04603 43.66076 
1 1 1  -12   15   36 o   58.240   26.261   2.2417   8.3790   1.8250   12.025   2.6349   11.682   63.187   29.547   63.648   29.547 -0.4606400 41.78601 
1 1 1  -12   15   37 o   44.715   21.747  -7.6167   8.0160   1.9320   14.694 -11.6628   9.5647   64.800   30.987   45.603   22.497 19.19675 38.29243 
1 1 1  -12   15   38 o   68.437   29.510   9.1557   9.5148   21.882   11.887 -13.5400   15.874   89.347   35.107   55.092   27.482 34.25449 44.58413 
1 1 1  -12   15   39 o   82.990   30.077   16.023   8.3291   32.473   11.382  -2.9440   12.221  112.399   35.179   55.253   26.868 57.14570 44.26597 
1 1 1  -12   16    1 o  249.616   13.941   81.908   8.9778   83.161   13.432   80.896   12.070  249.225   21.003  246.498   19.051 2.727554 28.35579 
1 1 1  -12   16    2 o  290.942   14.430  111.044   10.875  109.200   20.816  111.736   12.753  281.920   28.914  290.658   17.013 -8.737427 33.54789 
1 1 1  -12   16    3 o  357.196   10.806  166.458   9.9983  132.200   23.189  174.280   11.081  310.149   29.208  365.262   11.712 -55.11298 31.46894 
1 1 1  -12   16    4 o  320.506   11.362  134.141   9.4327  114.100   23.421  138.021   10.305  286.071   32.165  324.893   12.245 -38.82257 34.41718 
1 1 1  -12   16    5 o  188.423   15.089   46.954   7.3026   66.610   20.476   44.090   7.8166  214.315   38.290  182.106   16.759 32.20909 41.79656 
1 1 1  -12   16    6 o  339.721   11.238  150.755   9.8892  116.900   23.871  157.770   10.865  288.860   32.465  347.306   12.078 -58.44577 34.63923 
1 1 1  -12   16    7 o  456.611   10.637  272.180   12.581  264.100   28.475  274.139   14.024  441.346   25.011  457.825   11.825 -16.47928 27.66534 
1 1 1  -12   16    8 o  212.846   19.987   60.871   10.891   39.570   19.971   69.886   12.992  160.054   45.832  227.191   22.367 -67.13722 50.99893 
1 1 1  -12   16    9 o  195.326   28.916   53.470   14.188   39.120   21.489   64.560   18.891  157.796   48.166  211.001   35.847 -53.20570 60.04115 
1 1 1  -12   16   10 o   97.808   25.903   13.521   6.6667 -12.4300   20.050   16.746   7.0689   82.833   38.539  108.862   25.513 -26.02874 46.21867 
1 1 1  -12   16   11 o  274.417   12.933   98.914   9.1933   91.160   24.097  100.235   9.9455  248.123   38.760  275.584   13.978 -27.46072 41.20334 
1 1 1  -12   16   12 o  260.173   13.610   89.348   9.1401   73.300   23.544   92.196   9.9179  218.042   43.214  263.941   14.563 -45.89839 45.60151 
1 1 1  -12   16   13 o   69.684   25.880   5.4814   6.2265   10.350   19.734   4.9431   6.5617  105.859   43.894   69.012   26.360 36.84669 51.20075 
1 1 1  -12   16   14 o   90.886   28.918   11.582   7.6620   0.0000   0.0000   11.582   7.6620  ?   ?    90.886   28.918 0.000000 28.91803 
1 1 1  -12   16   15 o   67.473   26.530   4.2253   6.7925   7.2180   19.011   3.7873   7.2725   99.557   42.291   67.806   27.192 31.75138 50.27816 
1 1 1  -12   16   16 o  128.637   22.262   23.138   7.1494   29.130   19.730   22.232   7.6707  134.163   46.513  125.104   24.548 9.059052 52.59324 
1 1 1  -12   16   17 o  117.124   23.726   19.511   6.9516   18.870   17.855   19.625   7.5471  114.361   43.530  116.695   25.666 -2.333969 50.53327 
1 1 1  -12   16   18 o  269.987   15.261   97.459   10.629   84.760   22.740  101.009   12.023  232.897   39.079  273.831   17.035 -40.93376 42.63006 
1 1 1  -12   16   19 o  100.448   24.569   14.646   6.3398   17.541   9.0774   11.889   8.8584  107.782   30.910   91.210   31.188 16.57108 43.91056 
1 1 1  -12   16   20 o  108.915   27.744   17.708   7.8489   10.564   8.9967   40.470   16.059   87.262   31.308  156.913   39.530 -69.65057 50.42624 
1 1 1  -12   16   21 o  140.624   24.288   28.602   8.5271  -1.8090   18.276   37.064   9.6408   83.643   38.136  160.705   23.886 -77.06215 44.99890 
1 1 1  -12   16   22 o  242.710   13.340   78.892   8.3546   83.521   12.002   74.540   11.636  245.675   19.008  231.573   19.583 14.10213 27.29100 
1 1 1  -12   16   23 o  153.743   18.392   32.955   7.1789   24.398   10.254   41.179   10.054  123.548   31.842  168.387   23.706 -44.83922 39.69731 
1 1 1  -12   16   24 o   84.940   26.202   10.915   6.3398   8.1045   9.2243   13.432   8.7279   79.123   30.975   92.512   30.961 -13.38897 43.79524 
1 1 1  -12   16   25 o   86.099   25.591   11.332   6.1256   11.803   8.8290   10.896   8.5060   87.327   31.048   84.739   30.438 2.587807 43.47932 
1 1 1  -12   16   26 o  177.359   17.064   43.891   7.7425   47.590   12.605   41.650   9.8116  173.930   28.999  167.883   23.181 6.047348 37.12524 
1 1 1  -12   16   27 o  133.496   24.778   27.186   8.2527   23.869   10.806   31.830   12.785  117.042   33.770  133.292   36.126 -16.25033 49.45201 
1 1 1  -12   16   28 o   79.563   26.894   9.8863   6.5860  -0.6551   9.7761   18.646   8.9119   62.267   28.194  104.791   30.794 -42.52380 41.75185 
1 1 1  -12   16   29 o  125.346   22.778   23.891   7.1232   33.297   10.937   16.963   9.3871  140.152   30.953   98.035   32.080 42.11703 44.57872 
1 1 1  -12   16   30 o  138.185   27.244   31.124   9.4051   33.336   11.477   26.600   16.410  136.518   32.854  108.016   41.583 28.50137 52.99532 
1 1 1  -12   16   31 o  214.574   22.420   70.628   12.277   0.0000   0.0000   70.628   12.277  ?   ?   214.574   22.420 0.000000 22.41993 
1 1 1  -12   16   32 o  127.906   25.563   26.997   8.1731   27.292   11.468   26.693   11.652  115.596   35.164  113.398   35.611 2.198723 50.04647 
1 1 1  -12   16   33 o   71.752   28.947   8.5063   8.2950   10.572   11.913   6.5624   11.557   76.976   33.105   70.776   31.454 6.199791 45.66488 
1 1 1  -12   16   34 o   56.058   24.745   2.1691   7.0362   3.5905   9.1832   0.1481   10.950   62.435   27.872   60.736   28.332 1.699482 39.74390 
1 1 1  -12   16   35 o   67.333   28.326   7.3856   8.3969   0.6287   11.975   13.922   11.778   61.813   29.088   79.259   33.456 -17.44602 44.33336 
1 1 1  -12   16   36 o   75.261   32.953   12.543   12.250   12.543   12.250   0.0000   0.0000   75.261   32.953  ?   ?  0.000000 32.95306 
1 1 1  -12   16   37 f   82.663   31.478   15.920   9.3389   10.090   11.617   26.570   15.701   70.058   31.307   88.722   38.078 -18.66437 49.29536 
1 1 1  -12   16   38 o   65.218   28.311   8.2343   8.8769   17.211   12.735  -0.2482   12.380   77.085   33.679   57.767   27.835 19.31797 43.69305 
1 1 1  -12   16   39 o   41.802   21.087 -19.2285   10.723 -20.5144   12.883 -16.3300   19.343   45.285   22.876   54.551   27.612 -9.266014 35.85756 
1 1 1  -12   17    1 o  188.068   17.168   47.158   8.2713   53.228   12.532   42.472   11.010  196.857   25.152  175.656   24.894 21.20097 35.38833 
1 1 1  -12   17    2 o  186.096   17.054   46.170   8.1294   29.856   11.826   60.789   11.194  143.832   32.506  212.449   20.600 -68.61713 38.48333 
1 1 1  -12   17    3 f  263.993   11.939   91.221   8.1638   83.330   21.441   92.560   8.8289  240.795   35.434  265.706   12.828 -24.91112 37.68482 
1 1 1  -12   17    4 o   71.944   24.683   6.5406   5.5492 -15.9200   17.738   8.9772   5.8425   74.475   35.155   81.175   25.172 -6.700272 43.23762 
1 1 1  -12   17    5 o  236.941   13.591   73.988   8.3065   62.600   21.802   75.921   8.9841  203.109   42.791  239.733   14.536 -36.62416 45.19247 
1 1 1  -12   17    6 o  351.239   11.551  161.486   10.510  133.100   25.764  167.152   11.511  306.216   33.003  357.045   12.446 -50.82898 35.27205 
1 1 1  -12   17    7 o  240.284   37.896   84.900   22.805   84.900   22.805   0.0000   0.0000  240.284   37.896  ?   ?  0.000000 37.89645 
1 1 1  -12   17    8 o  177.620   18.607   42.487   8.4336   76.810   21.494   36.241   9.1689  228.063   37.701  162.507   22.375 65.55647 43.84108 
1 1 1  -12   17    9 o  284.649   13.734  106.703   10.126  203.300   25.643   88.855   11.022  384.143   25.922  258.299   16.561 125.8440 30.76069 
1 1 1  -12   17   10 o  187.218   15.817   46.755   7.5988   37.270   22.102   48.027   8.0922  151.263   49.212  189.468   16.658 -38.20552 51.95444 
1 1 1  -12   17   11 o  262.368   18.070   92.362   12.206   77.530   24.032   97.519   14.170  223.211   43.125  268.282   20.546 -45.07082 47.76924 
1 1 1  -12   17   12 o  179.859   20.919   44.249   9.5639   0.0000   0.0000   44.249   9.5639  ?   ?   179.859   20.919 0.000000 20.91899 
1 1 1  -12   17   13 o   55.289   24.239  -0.8336   6.6460  -8.4980   20.050   0.1124   7.0443   84.530   39.053   58.767   25.365 25.76274 46.56748 
1 1 1  -12   17   14 o  189.632   16.212   48.252   7.8870   52.830   21.264   47.521   8.4928  179.047   45.695  187.568   17.689 -8.521515 48.99944 
1 1 1  -12   17   15 o  211.400   15.599   59.830   8.4813   36.660   21.583   64.062   9.2233  146.219   48.683  218.404   16.423 -72.18500 51.37875 
1 1 1  -12   17   16 o  301.684   12.726  120.262   9.9450   81.770   23.502  128.658   10.976  226.306   41.625  311.599   13.599 -85.29233 43.79046 
1 1 1  -12   17   17 o  126.479   23.388   22.787   7.3801   46.340   20.057   19.099   7.9369  164.255   45.551  113.879   27.267 50.37551 53.08870 
1 1 1  -12   17   18 o   60.431   25.320   1.8762   6.6656   13.780   16.533  -0.4343   7.2838  102.264   41.003   57.880   25.375 44.38403 48.21979 
1 1 1  -12   17   19 o  184.090   28.576   50.131   13.185   42.370   18.834   57.590   18.464  154.947   44.548  187.799   39.221 -32.85188 59.35360 
1 1 1  -12   17   20 o   54.157   24.749  -3.4185   7.7537   39.170   20.220 -10.7602   8.3954  144.298   47.077   47.603   22.934 96.69464 52.36594 
1 1 1  -12   17   21 o  129.662   20.231   23.823   6.5729   26.637   9.8967   21.602   8.7921  131.163   29.806  118.356   28.923 12.80618 41.53274 
1 1 1  -12   17   22 o  135.281   20.084   26.005   6.8241   39.396   10.348   15.700   9.0779  163.153   25.305   99.347   31.462 63.80565 40.37625 
1 1 1  -12   17   23 o   53.175   23.437  -0.3069   6.2890   1.4712   9.0882  -1.9407   8.7117   65.372   28.510   58.795   26.619 6.576950 39.00491 
1 1 1  -12   17   24 o   92.807   26.778   13.441   6.7939   26.696   10.103   2.4991   9.1790  128.217   30.805   66.947   28.925 61.27090 42.25646 
1 1 1  -12   17   25 o  101.902   25.773   16.178   6.8076   8.1218   9.9272   23.331   9.3533   78.622   31.685  119.352   30.223 -40.72950 43.78773 
1 1 1  -12   17   26 o  151.136   21.547   33.585   8.1966   23.890   11.452   43.770   11.737  115.311   35.153  166.234   28.270 -50.92372 45.11016 
1 1 1  -12   17   27 o   73.559   27.458   7.9042   7.0266   15.459   10.055   0.6942   9.8230   94.130   33.170   64.166   28.723 29.96375 43.87752 
1 1 1  -12   17   28 o  208.864   15.556   60.891   8.3557   55.807   11.479   66.620   12.186  191.275   23.675  210.295   22.732 -19.01971 32.82146 
1 1 1  -12   17   29 o  132.610   23.654   27.351   7.8271   27.786   10.983   26.902   11.158  122.767   33.571  119.770   34.246 2.996361 47.95572 
1 1 1  -12   17   30 o   69.446   32.139   1.2571   13.666   28.690   21.142 -18.4300   17.910  102.223   44.033   61.850   30.563 40.37333 53.60094 
1 1 1  -12   17   31 o  113.888   26.194   21.849   7.5663   25.742   10.099   16.868   11.423  116.099   32.367   90.308   34.713 25.79077 47.46190 
1 1 1  -12   17   32 o  112.805   29.352   23.356   8.6587   27.777   12.492   19.269   12.013  110.393   37.040   92.514   35.588 17.87868 51.36607 
1 1 1  -12   17   33 o   71.400   27.970   8.9455   7.5251  -5.9881   10.671   23.720   10.614   53.905   25.941  104.307   34.111 -50.40177 42.85407 
1 1 1  -12   17   34 o   51.605   24.161  -1.8924   8.0831  -3.4311   11.428  -0.3518   11.435   56.910   27.244   59.889   28.256 -2.979328 39.25128 
1 1 1  -12   17   35 f  115.548   28.874   25.770   8.6176   21.381   12.893   29.314   11.586   88.646   35.974  110.220   35.612 -21.57393 50.61908 
1 1 1  -12   17   36 f  121.084   33.741   33.191   10.977   35.650   15.326   30.600   15.731  104.168   40.162   94.382   39.167 9.786148 56.09859 
1 1 1  -12   17   37 f   74.099   30.218   12.891   9.1526   16.960   13.140   9.0560   12.756   76.355   33.754   66.897   30.992 9.458275 45.82405 
1 1 1  -12   17   38 o   52.719   24.581   1.3556   8.2268  -8.7786   11.737   11.143   11.534   49.446   24.490   67.183   30.501 -17.73693 39.11620 
1 1 1  -12   18    1 o  202.680   16.684   54.824   8.6814   44.311   12.980   63.332   11.677  176.634   29.404  216.087   21.133 -39.45334 36.21047 
1 1 1  -12   18    2 o  191.748   17.852   49.324   8.7649   37.293   13.223   58.753   11.706  159.919   33.016  207.594   22.109 -47.67461 39.73491 
1 1 1  -12   18    3 o  315.094   15.245  131.221   12.443   81.820   22.235  153.745   15.014  235.127   37.788  339.788   17.113 -104.6607 41.48227 
1 1 1  -12   18    4 o  351.769   11.266  162.083   10.266  170.400   24.974  160.393   11.261  349.968   27.778  349.499   12.439 0.4689636 30.43573 
1 1 1  -12   18    5 o  163.115   25.424   37.185   10.392   36.760   20.304   37.336   12.097  151.417   46.921  161.223   30.072 -9.806412 55.73046 
1 1 1  -12   18    6 o  146.561   37.179   32.503   14.137   16.170   20.995   46.050   19.121  115.712   46.273  171.224   43.132 -55.51248 63.25786 
1 1 1  -12   18    7 o   84.894   28.551   9.7138   7.4226   35.850   21.078   6.0136   7.9306  148.514   48.038   75.394   28.937 73.11986 56.08026 
1 1 1  -12   18    8 o  388.017   11.550  197.567   11.609  193.700   27.465  198.408   12.809  370.954   28.809  388.297   12.735 -17.34314 31.49844 
1 1 1  -12   18    9 o  146.101   19.801   29.204   7.3004   42.520   21.449   27.459   7.7639  160.030   47.959  140.734   22.019 19.29581 52.77238 
1 1 1  -12   18   10 o  170.943   20.485   40.004   8.8901   0.0000   0.0000   40.004   8.8901  ?   ?   170.943   20.485 0.000000 20.48542 
1 1 1  -12   18   11 o  169.305   19.361   39.086   8.3380   42.210   23.722   38.646   8.9063  156.104   50.993  167.626   20.971 -11.52115 55.13723 
1 1 1  -12   18   12 o   39.611   19.270 -10.4033   6.3045 -16.1500   20.344  -9.7928   6.6309   78.434   37.209   41.793   20.196 36.64106 42.33625 
1 1 1  -12   18   13 o   96.341   26.231   13.459   6.7220   7.5980   21.393   14.101   7.0807  102.055   44.126   98.412   26.974 3.643585 51.71776 
1 1 1  -12   18   14 o  139.820   20.393   27.114   7.1684   2.9110   20.190   30.606   7.6680   94.364   41.771  148.665   20.454 -54.30114 46.51037 
1 1 1  -12   18   15 o  133.855   23.161   25.431   7.7397   49.030   21.663   21.977   8.2866  166.763   47.728  122.479   26.859 44.28373 54.76638 
1 1 1  -12   18   16 o  222.332   15.082   66.379   8.6346   53.690   22.509   68.568   9.3500  172.682   48.385  225.422   16.119 -52.73959 50.99916 
1 1 1  -12   18   17 o   87.072   27.795   11.065   7.0740 -10.0700   18.168   14.842   7.6801   76.340   35.894   99.412   28.407 -23.07151 45.77514 
1 1 1  -12   18   18 o  177.676   18.031   43.441   8.1837   14.180   20.484   48.999   8.9272  104.449   44.107  188.494   18.523 -84.04494 47.83875 
1 1 1  -12   18   19 o  119.025   37.240   23.741   12.755   31.840   20.222   18.390   16.438  129.395   46.870  106.856   41.483 22.53878 62.59087 
1 1 1  -12   18   20 o   58.463   24.655   1.8378   6.3863  -0.6411   18.402   2.1773   6.8096   82.942   37.987   60.614   25.505 22.32835 45.75502 
1 1 1  -12   18   21 o  119.509   25.922   21.661   7.7937  -6.5660   16.624   29.613   8.8234   73.448   34.471  140.883   25.098 -67.43500 42.63994 
1 1 1  -12   18   22 o  110.271   27.477   19.016   7.8199 -14.3000   17.871   26.906   8.6967   69.224   33.377  132.770   26.218 -63.54597 42.44321 
1 1 1  -12   18   23 o  126.035   21.175   23.197   6.6677   31.466   10.268   17.167   8.7680  140.663   29.139  102.112   30.677 38.55160 42.31033 
1 1 1  -12   18   24 o  150.135   19.044   32.250   7.2395   47.151   11.049   21.040   9.5832  176.454   24.863  111.535   31.684 64.91949 40.27412 
1 1 1  -12   18   25 o  139.659   25.539   30.208   8.8984   37.390   12.756   23.400   12.420  146.351   34.254  111.672   36.917 34.67889 50.36084 
1 1 1  -12   18   26 f   57.957   24.818   2.0380   6.6430  -6.9631   8.9953   12.836   9.8522   51.835   24.634   87.284   32.526 -35.44865 40.80227 
1 1 1  -12   18   27 o   72.894   27.562   7.9303   7.1278   3.9247   9.8266   12.378   10.355   68.355   29.730   85.277   32.975 -16.92209 44.39861 
1 1 1  -12   18   28 o  128.140   23.893   25.753   7.6390   39.680   11.447   14.570   10.257  152.447   30.056   89.097   33.191 63.34991 44.77733 
1 1 1  -12   18   29 o  102.919   38.669   23.851   13.981   19.550   20.841   27.370   18.852   91.822   41.408  102.089   42.663 -10.26694 59.45446 
1 1 1  -12   18   30 o   62.795   26.651   4.4554   7.5388   3.5868   10.388   5.4218   10.958   65.961   29.531   69.401   30.745 -3.440369 42.63011 
1 1 1  -12   18   31 o  203.350   18.526   61.924   9.6511   67.594   13.991   56.775   13.331  196.305   28.335  176.876   30.179 19.42903 41.39568 
1 1 1  -12   18   32 o  119.409   27.136   25.422   8.2028   33.431   12.391   19.175   10.944  121.449   36.465   91.733   34.262 29.71563 50.03622 
1 1 1  -12   18   33 o   54.883   26.347  -4.2951   10.853   0.0000   0.0000  -4.2951   10.853  ?   ?    54.883   26.347 0.000000 26.34652 
1 1 1  -12   18   34 o   81.663   29.828   14.112   8.2148   27.160   12.467   4.0988   10.921  100.798   36.757   62.959   28.993 37.83912 46.81496 
1 1 1  -12   18   35 o   45.063   21.909  -6.8488   8.1177 -17.0100   14.004  -1.7063   9.9622   50.613   25.333   54.172   25.796 -3.559151 36.15486 
1 1 1  -12   18   36 o   60.858   27.910   5.0667   9.9798   3.6011   12.882   7.2670   15.784   61.443   29.279   65.795   31.634 -4.351723 43.10402 
1 1 1  -12   18   37 o   91.305   29.984   19.527   8.1977   11.421   10.670   31.205   12.807   67.909   30.199   97.565   36.932 -29.65588 47.70649 
1 1 1  -12   19    1 o  140.141   27.313   28.092   9.5587   18.530   18.965   31.348   11.067  116.513   44.741  146.876   30.101 -30.36272 53.92405 
1 1 1  -12   19    2 o  164.017   20.874   36.873   8.6673   40.771   13.200   33.919   11.491  167.099   31.656  152.898   30.087 14.20123 43.67261 
1 1 1  -12   19    3 o  161.660   24.686   36.604   10.010   28.790   18.771   39.710   11.832  134.727   45.403  166.570   28.445 -31.84299 53.57730 
1 1 1  -12   19    4 o  163.867   32.867   39.652   13.466   41.870   20.238   37.890   18.038  159.714   46.255  153.708   43.400 6.005188 63.42802 
1 1 1  -12   19    5 o  247.145   15.320   81.349   9.7591   56.980   21.638   87.572   10.934  187.683   45.075  255.859   16.588 -68.17613 48.03020 
1 1 1  -12   19    6 o  126.577   20.691   22.183   6.5495   32.900   20.891   21.014   6.8973  141.292   47.897  122.413   22.584 18.87860 52.95443 
1 1 1  -12   19    7 o  108.151   25.342   16.796   6.9752   0.0000   0.0000   16.796   6.9752  ?   ?   108.151   25.342 0.000000 25.34169 
1 1 1  -12   19    8 o  101.573   27.237   14.988   7.3132   0.0000   0.0000   14.988   7.3132  ?   ?   101.573   27.237 0.000000 27.23671 
1 1 1  -12   19    9 o   92.828   28.431   12.417   7.4794  -1.6240   20.672   14.531   8.0230   91.352   41.214   99.680   29.197 -8.327690 50.50822 
1 1 1  -12   19   10 o  148.052   19.390   30.108   7.2575   36.420   20.475   29.201   7.7614  145.958   47.360  144.939   21.309 1.019089 51.93302 
1 1 1  -12   19   11 o  122.511   22.631   21.227   6.9172   30.330   20.183   20.016   7.3631  134.027   47.011  117.918   24.888 16.10830 53.19291 
1 1 1  -12   19   12 o  119.979   24.404   20.694   7.3261   16.470   21.870   21.228   7.7753  112.240   46.347  121.002   25.606 -8.761284 52.94960 
1 1 1  -12   19   13 o   76.213   26.663   7.7552   6.4903   14.700   19.053   6.8435   6.9032  106.550   43.542   74.143   27.304 32.40675 51.39484 
1 1 1  -12   19   14 o  124.183   23.393   22.119   7.2487   45.710   21.181   18.990   7.7145  158.999   47.662  113.324   26.716 45.67564 54.63889 
1 1 1  -12   19   15 o  245.169   14.184   80.525   8.9695   51.140   21.918   86.436   9.8303  166.659   48.100  253.518   15.037 -86.85924 50.39568 
1 1 1  -12   19   16 o  162.876   21.120   37.360   8.7007   74.300   22.996   31.189   9.3994  206.511   44.316  145.806   25.833 60.70465 51.29572 
1 1 1  -12   19   17 o   54.689   24.018  -0.3391   6.5511   30.160   21.180  -3.5658   6.8890  126.061   47.548   50.384   23.137 75.67705 52.87808 
1 1 1  -12   19   18 o  181.269   29.471   50.254   13.362   84.490   19.849   21.880   18.070  229.836   34.398  111.761   43.464 118.0755 55.42878 
1 1 1  -12   19   19 f  163.043   19.219   37.424   7.9609   15.960   20.699   41.151   8.6243  102.655   43.879  170.576   19.893 -67.92120 48.17743 
1 1 1  -12   19   20 o  250.004   14.094   84.728   9.0896   57.870   22.570   89.928   9.9305  165.985   49.071  256.835   14.992 -90.84959 51.31041 
1 1 1  -12   19   21 o   62.421   26.009   3.1569   6.9772 -12.1400   19.631   5.3687   7.4646   73.320   35.259   68.770   27.559 4.549774 44.75138 
1 1 1  -12   19   22 o   60.055   25.691   2.0493   7.1060 -30.3700   19.335   7.1119   7.6407   62.064   30.857   72.984   28.296 -10.92011 41.86717 
1 1 1  -12   19   23 f  169.900   24.656   43.897   10.534   0.0000   0.0000   43.897   10.534  ?   ?   169.900   24.656 0.000000 24.65569 
1 1 1  -12   19   24 f  157.675   22.245   37.102   8.8329   19.840   12.270   55.670   12.726  102.686   36.592  188.230   26.862 -85.54368 45.39312 
1 1 1  -12   19   25 o  132.742   22.066   26.553   7.3209   27.084   10.923   26.121   9.8641  122.749   33.444  123.284   30.938 -0.5354233 45.55982 
1 1 1  -12   19   26 o  101.507   26.626   16.965   7.0878   10.505   10.608   22.173   9.5261   80.913   32.702  111.515   31.558 -30.60268 45.44641 
1 1 1  -12   19   27 o  219.130   22.675   73.688   12.684   73.688   12.684   0.0000   0.0000  219.130   22.675  ?   ?  0.000000 22.67512 
1 1 1  -12   19   28 o   58.387   26.395   0.4841   8.5288   3.9521   9.8596  -9.8250   16.999   66.406   29.303   64.700   31.512 1.705643 43.03130 
1 1 1  -12   19   29 o  139.772   29.628   34.918   10.394   2.6710   20.537   46.022   12.051   74.987   36.061  160.347   30.121 -85.36050 46.98589 
1 1 1  -12   19   30 o  114.722   27.679   23.506   8.1308   22.576   12.042   24.285   11.023   98.382   36.087  105.415   34.777 -7.033180 50.11652 
1 1 1  -12   19   31 o  169.699   20.880   45.505   8.9845   55.353   13.613   37.905   11.959  168.003   32.456  134.579   34.227 33.42451 47.16864 
1 1 1  -12   19   32 o   63.471   27.332   5.8800   8.1407   14.374   11.917  -1.5526   11.147   78.675   33.453   57.707   27.424 20.96872 43.25708 
1 1 1  -12   19   33 o   58.955   26.089   4.0301   7.8690  -3.6686   12.026   9.7949   10.406   56.330   27.215   70.263   30.577 -13.93379 40.93433 
1 1 1  -12   19   34 o   88.366   30.780   17.720   8.6446   9.4370   14.472   22.314   10.779   68.821   32.255   92.701   34.121 -23.88084 46.95350 
1 1 1  -12   19   35 f   59.387   27.375   4.2584   9.7698  -4.4437   12.541   17.690   15.581   54.475   26.647   74.424   34.399 -19.94919 43.51271 
1 1 1  -12   19   36 o   45.886   22.323  -5.2240   8.4640   0.6728   12.058 -10.9525   11.884   56.425   27.258   48.252   24.023 8.172981 36.33358 
1 1 1  -12   19   37 o   41.203   20.411  -9.0677   8.1672   9.0633   12.667 -21.9687   10.685   62.075   29.423   39.736   20.158 22.33860 35.66538 
1 1 1  -12   20    1 o  112.764   37.983   19.172   13.137   35.660   19.028   4.1570   18.159  146.390   45.433   93.228   40.481 53.16204 60.85131 
1 1 1  -12   20    2 o  183.632   29.388   48.879   13.507   14.460   20.495   75.310   17.960  110.029   45.085  227.065   31.373 -117.0364 54.92627 
1 1 1  -12   20    3 o  247.248   20.882   83.732   13.249   0.0000   0.0000   83.732   13.249  ?   ?   247.248   20.882 0.000000 20.88204 
1 1 1  -12   20    4 o   93.402   34.068   11.722   10.710  -4.7270   16.577   23.510   14.032   79.634   36.313  122.548   39.150 -42.91328 53.39767 
1 1 1  -12   20    5 o  251.073   15.788   84.413   10.215   0.0000   0.0000   84.413   10.215  ?   ?   251.073   15.788 0.000000 15.78764 
1 1 1  -12   20    6 o  131.241   23.157   24.350   7.5846   5.0930   20.601   27.370   8.1576   97.693   42.755  139.167   23.464 -41.47471 48.77085 
1 1 1  -12   20    7 f  249.477   13.205   82.610   8.5031  106.100   23.648   79.122   9.1126  264.708   35.373  243.527   14.512 21.18073 38.23424 
1 1 1  -12   20    8 o  240.643   13.607   77.045   8.4470   58.650   23.074   79.892   9.0771  183.459   48.002  244.682   14.385 -61.22366 50.11104 
1 1 1  -12   20    9 o  212.376   14.929   60.445   8.1603   61.060   22.234   60.349   8.7725  189.026   45.874  211.619   16.125 -22.59309 48.62539 
1 1 1  -12   20   10 o   82.517   27.412   9.5952   6.8442   25.270   19.100   7.2860   7.3310  123.272   45.413   76.169   28.122 47.10290 53.41550 
1 1 1  -12   20   11 o  165.516   17.428   37.409   7.3595   59.450   21.448   34.467   7.8353  185.626   45.060  157.754   19.597 27.87267 49.13673 
1 1 1  -12   20   12 o  166.614   18.312   38.181   7.7726   37.240   20.541   38.339   8.3970  142.460   47.495  166.101   19.914 -23.64073 51.50110 
1 1 1  -12   20   13 o  237.344   14.151   75.560   8.6601   47.870   21.723   80.793   9.4429  159.619   48.362  244.963   14.953 -85.34431 50.62101 
1 1 1  -12   20   14 o  217.441   15.035   63.868   8.4163   62.680   21.470   64.083   9.1485  187.669   44.789  216.971   16.399 -29.30281 47.69638 
1 1 1  -12   20   15 o  112.717   24.603   18.812   6.9816   30.450   20.704   17.318   7.4160  126.258   47.132  106.920   26.822 19.33852 54.22962 
1 1 1  -12   20   16 o   56.494   24.846  -0.1820   7.0329  -9.4390   19.506   1.2013   7.5401   77.237   36.581   60.868   26.258 16.36893 45.02907 
1 1 1  -12   20   17 o  137.241   34.506   31.363   12.254   57.020   22.432   20.450   14.630  167.258   48.773  108.105   39.757 59.15285 62.92413 
1 1 1  -12   20   18 o   76.576   29.158   7.9508   8.0127   30.820   21.426   4.2325   8.6396  121.025   47.255   69.218   28.900 51.80685 55.39213 
1 1 1  -12   20   19 o  103.660   27.367   16.951   7.4566  -4.7600   18.793   21.007   8.1234   77.368   36.418  115.571   27.529 -38.20220 45.65194 
1 1 1  -12   20   20 o  149.221   19.929   32.089   7.5105   17.230   17.507   35.440   8.3145   98.893   41.202  155.976   21.122 -57.08315 46.30075 
1 1 1  -12   20   21 o   50.304   22.948  -2.1935   6.6288 -30.4100   17.603   2.4687   7.1555   58.210   29.022   60.767   25.882 -2.556385 38.88636 
1 1 1  -12   20   22 o   50.801   23.575  -3.6367   7.4266   0.0000   0.0000  -3.6367   7.4266  ?   ?    50.801   23.575 0.000000 23.57480 
1 1 1  -12   20   23 o   50.572   23.471  -3.4757   7.3641 -40.9600   19.163   3.0190   7.9766   56.139   28.302   63.270   27.147 -7.131721 39.21673 
1 1 1  -12   20   24 o   79.251   28.069   10.178   7.2094 -14.1300   19.396   14.074   7.7658   68.080   33.268   90.824   29.136 -22.74409 44.22268 
1 1 1  -12   20   25 o  183.280   21.062   50.376   9.8175   23.600   20.009   58.866   11.267   99.057   42.753  196.316   22.567 -97.25827 48.34338 
1 1 1  -12   20   26 o  180.501   20.543   49.002   9.4340   29.670   18.242   56.059   11.022  106.533   42.945  190.178   22.831 -83.64512 48.63675 
1 1 1  -12   20   27 o  116.075   25.248   22.278   7.3752   31.266   10.856   14.572   10.051  128.694   32.544   86.550   32.728 42.14415 46.15445 
1 1 1  -12   20   28 o   83.306   35.257   14.659   13.135  -4.5980   21.069   26.900   16.798   70.314   34.425   98.609   40.659 -28.29594 53.27493 
1 1 1  -12   20   29 o   95.276   28.586   17.098   7.6167   26.655   11.799   10.269   9.9731  107.640   35.998   74.505   31.074 33.13480 47.55510 
1 1 1  -12   20   30 o   53.041   24.399  -0.1693   7.7065  -4.0465   11.854   2.6692   10.143   57.096   27.442   61.460   28.168 -4.363686 39.32579 
1 1 1  -12   20   31 o  149.066   22.349   36.789   8.3635   37.029   12.582   36.598   11.195  124.421   36.598  131.827   32.891 -7.405800 49.20595 
1 1 1  -12   20   32 o   46.616   22.350  -4.4787   7.7577   0.2759   12.014  -7.8786   10.160   59.315   28.268   49.221   24.057 10.09420 37.11947 
1 1 1  -12   20   33 o   59.359   26.209   4.9327   7.8990   13.577   11.917  -1.8405   10.549   73.436   32.319   54.424   26.086 19.01216 41.53355 
1 1 1  -12   20   34 o   63.900   29.091   7.6841   10.585   2.9940   15.005   12.330   14.934   61.542   29.890   68.931   32.452 -7.389133 44.11941 
1 1 1  -12   20   35 o   60.719   27.124   6.8988   8.7123   23.180   12.510  -8.4320   12.140   82.506   34.635   49.882   24.741 32.62341 42.56431 
1 1 1  -12   20   36 f   61.879   27.358   8.6923   8.6343   21.276   12.561  -2.5806   11.888   75.963   33.312   51.983   25.534 23.98017 41.97200 
1 1 1  -12   21    1 o  200.884   19.643   55.423   10.090   46.541   13.896   65.330   14.676  176.338   31.582  212.980   27.225 -36.64240 41.69657 
1 1 1  -12   21    2 o  220.514   19.266   66.576   10.894   50.687   14.531   86.970   16.462  184.098   31.610  246.925   26.135 -62.82674 41.01485 
1 1 1  -12   21    3 o  308.253   15.711  127.532   12.503  138.200   23.185  123.158   14.847  307.944   29.425  300.349   19.184 7.595001 35.12602 
1 1 1  -12   21    4 o  140.711   28.461   29.273   10.017   1.3490   19.144   39.801   11.755   89.933   40.189  164.543   28.618 -74.60982 49.33732 
1 1 1  -12   21    5 o  148.465   26.374   32.020   9.7712   25.580   21.006   33.798   11.038  123.757   47.189  150.785   29.317 -27.02743 55.55455 
1 1 1  -12   21    6 o  270.511   12.644   96.970   8.8599  113.300   23.946   94.381   9.5367  271.806   34.812  265.921   13.893 5.885681 37.48155 
1 1 1  -12   21    7 o  181.943   16.263   44.869   7.5839   5.4100   21.271   50.615   8.1174   96.722   42.843  193.263   16.369 -96.54039 45.86322 
1 1 1  -12   21    8 o  176.140   16.795   42.245   7.5701   44.870   22.251   41.901   8.0503  154.560   49.291  174.772   18.042 -20.21159 52.48938 
1 1 1  -12   21    9 f  177.040   16.948   42.773   7.6770   28.080   20.866   45.073   8.2561  125.457   47.220  181.305   17.810 -55.84782 50.46725 
1 1 1  -12   21   10 o  129.930   21.287   23.962   6.9162  -2.7010   19.454   27.819   7.3996   84.593   38.859  140.342   21.000 -55.74941 44.17040 
1 1 1  -12   21   11 o  127.800   21.568   23.316   6.8859   40.980   21.091   21.209   7.2850  145.840   48.104  120.372   24.204 25.46820 53.85003 
1 1 1  -12   21   12 o   90.309   26.995   12.278   6.8021   17.300   19.282   11.564   7.2695  106.180   43.644   87.850   28.190 18.33006 51.95685 
1 1 1  -12   21   13 o  133.368   22.117   25.655   7.3730   21.150   20.993   26.289   7.8747  111.089   45.587  134.181   23.514 -23.09204 51.29353 
1 1 1  -12   21   14 o  146.587   20.391   30.578   7.5329   65.820   19.318   24.259   8.1804  195.462   39.514  127.002   25.748 68.45981 47.16285 
1 1 1  -12   21   15 o  102.758   32.531   17.313   9.7054  -2.9230   19.896   23.631   11.118   81.893   38.198  118.437   34.279 -36.54410 51.32359 
1 1 1  -12   21   16 o   77.395   33.623   4.6096   12.539 -24.1800   19.521   24.830   16.360   66.361   32.622  113.978   42.024 -47.61691 53.19939 
1 1 1  -12   21   17 o  177.875   17.734   44.405   8.0620   58.120   22.139   42.308   8.6564  164.165   48.617  172.010   19.789 -7.844391 52.49056 
1 1 1  -12   21   18 o   54.719   24.164   0.0188   6.7163  -0.8176   20.052   0.1244   7.1281   81.245   38.043   56.299   24.876 24.94658 45.45392 
1 1 1  -12   21   19 o   60.531   25.463   2.8553   6.7849   0.1735   19.064   3.2442   7.2603   79.928   37.318   62.635   26.344 17.29276 45.67980 
1 1 1  -12   21   20 o   92.028   27.370   13.787   7.0054   14.930   18.627   13.599   7.5604   93.446   40.782   90.711   28.711 2.735497 49.87516 
1 1 1  -12   21   21 o  124.004   29.581   25.789   9.3687   0.0000   0.0000   25.789   9.3687  ?   ?   124.004   29.581 0.000000 29.58112 
1 1 1  -12   21   22 o   50.061   23.312  -3.6529   7.3629 -10.2800   17.257  -2.1780   8.1410   67.153   32.482   54.664   25.121 12.48946 41.06236 
1 1 1  -12   21   23 o  112.869   26.305   20.850   7.5483   17.000   18.532   21.616   8.2650   91.897   40.377  113.036   28.294 -21.13813 49.30336 
1 1 1  -12   21   24 o   69.477   27.321   7.0752   7.2043 -11.4200   17.604   10.796   7.8958   65.390   31.897   79.646   29.220 -14.25595 43.25760 
1 1 1  -12   21   25 o   66.943   27.006   6.3145   7.2197   3.9840   18.943   6.7106   7.8091   76.426   36.153   68.560   27.931 7.866554 45.68557 
1 1 1  -12   21   26 o  114.754   26.253   22.412   7.6344   20.650   20.886   22.684   8.2019   89.039   40.663  113.322   28.084 -24.28300 49.41837 
1 1 1  -12   21   27 o   97.431   36.558   22.583   12.488   25.030   21.755   21.380   15.250   89.715   41.168   90.872   38.199 -1.157249 56.15973 
1 1 1  -12   21   28 o   65.904   28.337   6.3537   8.7239  -0.5578   21.432   7.7263   9.5510   70.004   34.365   69.000   29.658 1.003708 45.39348 
1 1 1  -12   21   29 o  120.062   25.922   25.640   7.8255   33.013   11.830   19.903   10.435  119.613   35.566   92.084   33.620 27.52879 48.94172 
1 1 1  -12   21   30 o   57.002   25.364   3.2096   7.5386   11.930   11.411  -3.5432   10.042   73.424   31.986   53.018   25.423 20.40542 40.85814 
1 1 1  -12   21   31 o   58.248   25.958   4.0525   7.9272   7.4718   12.464   1.7299   10.273   66.311   30.690   58.090   27.210 8.221054 41.01558 
1 1 1  -12   21   32 o   53.345   24.483   1.6376   7.6991   14.614   11.848  -7.8477   10.130   74.129   32.434   48.229   23.665 25.90053 40.14982 
1 1 1  -12   21   33 o   52.932   25.383  -1.1201   10.014 -17.8700   14.751   13.200   13.639   49.555   24.964   69.327   32.093 -19.77204 40.65878 
1 1 1  -12   21   34 o   59.069   26.654   6.1605   8.6498   3.0622   12.125   9.3716   12.344   57.635   27.714   63.615   29.807 -5.980579 40.70066 
1 1 1  -12   21   35 o   60.386   27.072   8.0814   8.7612   9.6863   12.242   6.3961   12.544   61.794   29.180   58.817   28.259 2.976963 40.62060 
1 1 1  -12   22    1 o  298.302   13.772  118.737   10.642  104.218   15.657  131.202   14.508  272.274   22.399  309.783   18.159 -37.50931 28.83477 
1 1 1  -12   22    2 o  258.790   14.638   89.977   9.7722   78.341   14.613   99.391   13.144  234.047   24.465  268.783   19.001 -34.73557 30.97699 
1 1 1  -12   22    3 o  233.594   16.022   73.913   9.6362   58.377   14.183   87.234   13.133  198.507   28.392  250.530   20.414 -52.02231 34.96953 
1 1 1  -12   22    4 o  146.890   23.411   30.997   8.6085   30.898   13.440   31.067   11.210  137.102   36.990  141.806   31.351 -4.703705 48.48895 
1 1 1  -12   22    5 o  154.237   26.418   35.034   10.175   28.010   20.969   37.197   11.637  124.122   47.191  156.576   29.780 -32.45385 55.80212 
1 1 1  -12   22    6 o  204.591   19.195   58.036   10.053   39.860   20.869   63.528   11.472  144.207   47.864  212.699   21.101 -68.49187 52.30861 
1 1 1  -12   22    7 o  153.713   18.467   32.809   7.2056   19.660   20.385   34.687   7.7029  110.498   45.084  157.645   19.264 -47.14767 49.02747 
1 1 1  -12   22    8 o  128.384   21.846   23.668   7.0047   55.950   21.602   19.874   7.4049  172.120   47.088  115.470   25.443 56.65002 53.52233 
1 1 1  -12   22    9 o  120.124   22.794   21.009   6.8330   17.860   20.415   21.407   7.2513  106.736   44.483  120.556   24.064 -13.81955 50.57487 
1 1 1  -12   22   10 o  118.615   23.342   20.672   6.9164  -2.9950   19.363   24.133   7.4049   82.137   38.099  128.549   23.087 -46.41165 44.54775 
1 1 1  -12   22   11 o  122.591   23.313   22.129   7.1325   7.5800   20.234   24.193   7.6218   92.837   41.414  127.952   23.874 -35.11471 47.80302 
1 1 1  -12   22   12 o   47.869   22.024  -3.2504   6.2821   9.5830   17.380  -5.1790   6.7376   91.380   39.642   46.899   21.990 44.48130 45.33231 
1 1 1  -12   22   13 o   86.679   27.234   11.620   6.8136   20.990   19.316   10.288   7.2817  106.834   43.771   82.373   28.274 24.46088 52.10933 
1 1 1  -12   22   14 o  109.322   31.845   19.953   9.5674   31.310   18.485   15.797   11.182  122.664   44.754   96.797   34.885 25.86615 56.74361 
1 1 1  -12   22   15 o  118.791   27.692   22.392   8.3637   34.420   20.226   19.912   9.1859  124.165   46.538  109.249   31.015 14.91677 55.92622 
1 1 1  -12   22   16 o  111.067   26.669   19.539   7.5758   26.640   20.750   18.447   8.1375  110.291   45.298  106.197   28.838 4.093971 53.69872 
1 1 1  -12   22   17 o  144.642   21.025   30.792   7.6466   1.0030   19.672   36.094   8.2992   80.891   37.815  156.800   20.958 -75.90891 43.23400 
1 1 1  -12   22   18 o   53.134   23.977  -1.0798   7.0016 -18.8500   16.541   2.7993   7.7281   61.323   30.121   62.398   26.745 -1.074577 40.28121 
1 1 1  -12   22   19 o  138.522   25.265   30.127   8.7313   0.0000   0.0000   30.127   8.7313  ?   ?   138.522   25.265 0.000000 25.26456 
1 1 1  -12   22   20 o  187.977   22.020   53.233   10.519   0.0000   0.0000   53.233   10.519  ?   ?   187.977   22.020 0.000000 22.02029 
1 1 1  -12   22   21 o   92.117   27.528   14.355   7.0738   33.930   20.236   11.630   7.5502  112.626   45.291   82.822   28.770 29.80484 53.65621 
1 1 1  -12   22   22 o  125.133   23.890   24.805   7.4612   56.310   20.937   20.222   7.9855  145.421   47.926  108.515   28.164 36.90614 55.58924 
1 1 1  -12   22   23 o   58.041   25.079   2.5587   6.9009   1.5450   19.957   2.6964   7.3546   75.589   36.137   59.377   25.773 16.21180 44.38567 
1 1 1  -12   22   24 o   65.026   26.517   5.8500   7.0477   5.5940   19.840   5.8869   7.5394   76.901   36.558   65.748   27.186 11.15327 45.55820 
1 1 1  -12   22   25 o  135.261   23.360   29.671   7.8887   16.870   21.001   31.775   8.5120   83.876   39.163  138.547   24.620 -54.67113 46.25935 
1 1 1  -12   22   26 o   68.929   29.792   7.3962   9.7436 -19.5900   20.481   15.291   11.077   61.018   30.555   83.346   33.512 -22.32771 45.35015 
1 1 1  -12   22   27 o   85.254   31.724   15.840   9.3657 -23.0300   20.502   26.091   10.529   58.594   29.506  108.358   33.822 -49.76414 44.88391 
1 1 1  -12   22   28 o   57.191   25.289   3.3222   7.3811   2.6490   17.730   3.4634   8.1180   66.879   32.484   58.580   26.175 8.299774 41.71738 
1 1 1  -12   22   29 o   72.103   30.062   11.201   9.3290   21.850   20.456   8.4048   10.483   78.138   37.139   67.201   29.906 10.93707 47.68277 
1 1 1  -12   22   30 o   53.146   25.220  -0.9971   9.3598 -24.2800   22.402   3.9270   10.302   56.750   28.829   60.035   27.827 -3.284531 40.06795 
1 1 1  -12   22   31 o   59.912   25.738   6.0749   7.1865   10.723   9.9618   1.0305   10.377   68.363   29.830   55.958   26.555 12.40494 39.93735 
1 1 1  -12   22   32 o   53.891   25.696   0.4821   9.9534   3.5960   14.972  -1.9840   13.324   60.459   29.474   55.577   27.245 4.881527 40.13767 
1 1 1  -12   22   33 o   50.626   23.977   0.4245   8.3796   12.357   11.933 -11.1857   11.770   66.139   30.401   46.987   23.474 19.15219 38.40898 
1 1 1  -12   22   34 o   67.676   28.930   12.910   8.9994  -0.8080   12.875   26.016   12.584   53.107   26.180   80.831   34.373 -27.72415 43.20801 
1 1 1  -12   23    1 o  109.315   29.236   18.634   8.4396   4.3762   13.290   28.269   10.925   80.094   34.705  133.106   32.067 -53.01237 47.25169 
1 1 1  -12   23    2 o  237.525   15.988   76.946   9.7797   63.347   14.278   88.962   13.422  205.727   27.481  251.195   20.816 -45.46797 34.47468 
1 1 1  -12   23    3 o  136.501   24.183   27.397   8.2377   21.399   11.971   32.792   11.353  112.802   36.173  144.153   31.303 -31.35059 47.83648 
1 1 1  -12   23    4 o  144.587   23.919   30.638   8.6451   22.082   12.693   38.041   11.807  113.629   37.310  156.344   30.248 -42.71481 48.03130 
1 1 1  -12   23    5 o  121.833   27.722   22.830   8.5518   14.016   13.144   29.299   11.261   95.672   37.108  134.538   32.646 -38.86594 49.42370 
1 1 1  -12   23    6 o   80.525   30.725   8.8471   8.9084   21.590   20.195   5.7685   9.9263  109.899   44.860   75.463   31.197 34.43578 54.64172 
1 1 1  -12   23    7 o  121.579   21.323   21.416   6.4704   22.940   19.657   21.231   6.8523  111.210   44.667  120.131   22.856 -8.921211 50.17515 
1 1 1  -12   23    8 o  113.295   23.853   19.189   6.7786   40.800   20.288   16.473   7.1920  139.839   47.201  103.150   26.707 36.68884 54.23331 
1 1 1  -12   23    9 o   74.720   26.592   7.9907   6.4778 -17.9300   19.812   11.093   6.8545   70.490   34.261   84.918   27.387 -14.42834 43.86211 
1 1 1  -12   23   10 o  149.366   19.234   31.762   7.2687   11.740   18.865   35.253   7.8769   93.836   40.995  157.041   19.804 -63.20435 45.52800 
1 1 1  -12   23   11 o  134.313   22.594   26.710   7.5818   4.8410   20.456   30.192   8.1632   87.360   40.026  142.760   22.845 -55.39932 46.08660 
1 1 1  -12   23   12 o  120.824   24.532   22.293   7.4155   4.5930   17.043   26.427   8.2360   82.559   37.318  131.359   25.120 -48.80008 44.98539 
1 1 1  -12   23   13 o   54.579   25.826  -6.8039   9.6793   8.8470   18.995 -12.2930   11.249   88.316   39.707   54.015   26.151 34.30045 47.54464 
1 1 1  -12   23   14 o   79.925   29.152   9.9390   7.8424 -32.0600   18.797   18.791   8.6293   59.509   29.720  105.662   30.083 -46.15256 42.28787 
1 1 1  -12   23   15 o   84.739   28.015   11.680   7.1522   5.5610   18.564   12.747   7.7505   82.980   38.060   87.690   29.172 -4.709450 47.95354 
1 1 1  -12   23   16 o   61.902   26.161   3.2926   7.2149   9.1810   20.737   2.4816   7.6957   87.129   40.059   61.431   26.514 25.69739 48.03884 
1 1 1  -12   23   17 o  156.972   19.567   36.107   7.7831   55.870   22.484   33.416   8.2961  145.416   49.688  148.549   22.245 -3.132401 54.44000 
1 1 1  -12   23   18 o   95.577   31.393   16.431   8.9860   0.0000   0.0000   16.431   8.9860  ?   ?    95.577   31.393 0.000000 31.39289 
1 1 1  -12   23   19 f  108.898   28.182   20.219   8.0106   23.660   18.584   19.434   8.8776   99.298   41.976  103.943   30.788 -4.645294 52.05675 
1 1 1  -12   23   20 o   67.343   26.589   6.4652   6.8493   14.100   18.767   5.2920   7.3567   86.596   39.150   65.208   26.899 21.38769 47.50053 
1 1 1  -12   23   21 o   65.828   26.728   5.9228   7.1214  -4.7320   19.328   7.5965   7.6603   70.627   34.214   70.456   28.024 0.1715622 44.22548 
1 1 1  -12   23   22 o   52.581   23.885  -0.4317   7.0861   10.620   18.914  -2.2363   7.6427   80.378   37.408   51.492   23.903 28.88588 44.39257 
1 1 1  -12   23   23 o   55.673   24.802   1.4503   7.2304   7.4170   19.086   0.4505   7.8127   76.206   36.119   55.422   25.139 20.78395 44.00634 
1 1 1  -12   23   24 o   49.923   23.174  -1.7392   7.1834   18.910   19.939  -4.8192   7.7005   83.641   38.748   47.501   22.636 36.13971 44.87576 
1 1 1  -12   23   25 o   69.913   29.917   8.5765   9.6417   8.9610   20.085   8.4614   10.991   73.938   35.583   70.252   30.973 3.686317 47.17489 
1 1 1  -12   23   26 o   49.503   23.792  -4.9639   8.9075   5.2050   17.624  -8.4528   10.323   68.773   33.156   49.677   24.274 19.09552 41.09235 
1 1 1  -12   23   27 o   53.535   24.447   1.2984   7.5479 -14.8300   16.004   5.9121   8.5597   54.683   27.327   62.461   27.442 -7.777344 38.72763 
1 1 1  -12   23   28 o   64.379   27.382   7.6302   7.9884   33.610   21.673   3.5456   8.5935   83.688   39.303   57.827   26.282 25.86089 47.28066 
1 1 1  -12   23   29 o   56.763   25.269   4.1854   7.4913   30.860   22.614   0.8974   7.9396   78.277   37.693   52.372   24.328 25.90435 44.86213 
1 1 1  -12   23   30 o   57.740   25.761   5.0311   7.8322   2.4730   22.677   5.3776   8.3458   63.006   31.635   58.682   26.357 4.323952 41.17567 
1 1 1  -12   23   31 o   78.669   32.051   18.348   10.284   0.0000   0.0000   18.348   10.284  ?   ?    78.669   32.051 0.000000 32.05122 
1 1 1  -12   23   32 o   51.234   24.774  -0.5695   10.018 -30.9500   22.672   6.8014   11.167   51.085   26.196   59.126   27.905 -8.040581 38.27436 
1 1 1  -12   23   33 o   52.690   25.404   2.1829   10.348   32.410   23.583  -5.0257   11.516   66.870   33.379   48.527   24.074 18.34246 41.15479 
1 1 1  -12   24    1 f   89.847   29.732   12.790   8.0548   20.224   12.339   7.2695   10.633  107.083   36.803   78.574   32.367 28.50875 49.01091 
1 1 1  -12   24    2 o   95.329   29.566   14.595   8.0597   29.974   12.065   2.1999   10.831  132.223   34.765   70.243   30.865 61.97934 46.48941 
1 1 1  -12   24    3 o  100.179   28.510   16.026   7.7521   12.913   12.010   18.250   10.150   90.848   35.405  103.871   33.308 -13.02218 48.60986 
1 1 1  -12   24    4 o  109.445   28.065   19.034   7.9943   9.6245   11.737   27.178   10.919   84.085   34.247  127.121   32.904 -43.03609 47.49240 
1 1 1  -12   24    5 o  124.296   25.611   23.715   7.9715   33.407   11.670   15.237   10.915  141.706   32.486   95.293   34.447 46.41255 47.34948 
1 1 1  -12   24    6 o   94.297   28.693   14.320   7.6348   13.571   11.860   14.850   9.9767   91.415   35.307   94.292   33.054 -2.876999 48.36455 
1 1 1  -12   24    7 o   97.368   31.671   15.908   9.1544 -17.5800   17.976   27.634   10.637   66.164   32.265  128.160   32.109 -61.99579 45.51882 
1 1 1  -12   24    8 o   56.031   24.087   1.3961   6.3019   9.8020   17.680   0.1727   6.7449   88.673   39.179   55.022   24.261 33.65052 46.08183 
1 1 1  -12   24    9 o   63.943   26.098   4.2538   6.8337   21.040   20.088   2.0569   7.2671  102.602   43.522   60.195   25.872 42.40659 50.63108 
1 1 1  -12   24   10 o  110.386   25.274   19.090   7.0710  -1.2080   19.009   22.350   7.6176   78.282   36.778  119.641   25.367 -41.35905 44.67797 
1 1 1  -12   24   11 o   85.169   32.506   11.871   9.9734   0.2914   19.627   15.902   11.580   79.678   37.414   94.129   35.226 -14.45155 51.38762 
1 1 1  -12   24   12 o  130.941   26.045   27.163   8.5228   41.690   18.780   23.395   9.5644  133.992   45.413  116.377   31.123 17.61511 55.05445 
1 1 1  -12   24   13 o   78.256   27.936   9.7656   7.1544   21.740   20.301   8.0675   7.6449   99.526   43.009   73.797   28.390 25.72836 51.53403 
1 1 1  -12   24   14 o   92.550   27.796   14.383   7.1990   1.8460   20.326   16.181   7.6980   79.597   37.591   97.535   28.609 -17.93798 47.23893 
1 1 1  -12   24   15 o   97.013   28.180   16.030   7.5015 -12.0800   18.411   21.626   8.2143   67.156   32.727  113.329   28.117 -46.17315 43.14659 
1 1 1  -12   24   16 o  157.083   25.223   39.319   9.9157   0.0000   0.0000   39.319   9.9157  ?   ?   157.083   25.223 0.000000 25.22277 
1 1 1  -12   24   17 o   43.436   21.076  -8.9573   7.4127  -0.0657   19.490 -10.4611   8.0150   75.155   35.869   44.131   21.526 31.02400 41.83212 
1 1 1  -12   24   18 o   84.365   27.606   12.342   6.9514   36.660   18.713   8.4495   7.4872  115.360   44.407   72.713   28.061 42.64707 52.52982 
1 1 1  -12   24   19 o  108.602   25.695   19.771   7.1153   23.290   17.850   19.107   7.7584   95.060   40.693  104.081   28.114 -9.021507 49.46035 
1 1 1  -12   24   20 o  100.499   26.800   17.624   7.1047   16.400   18.076   17.847   7.7265   85.207   38.482   99.184   28.539 -13.97672 47.90927 
1 1 1  -12   24   21 o   75.158   28.127   10.097   7.3829   0.1391   16.084   12.755   8.3101   68.053   32.509   81.649   29.974 -13.59541 44.21804 
1 1 1  -12   24   22 o   67.410   27.400   7.3752   7.4941 -13.3900   17.193   12.246   8.3267   59.819   29.629   79.223   29.827 -19.40387 42.04259 
1 1 1  -12   24   23 o   86.083   29.316   14.853   7.8266  -8.3770   17.854   20.378   8.7078   62.126   30.665   99.868   30.692 -37.74178 43.38578 
1 1 1  -12   24   24 o   73.835   30.346   11.305   9.3205   22.650   17.188   6.5797   11.093   84.058   37.784   66.359   30.041 17.69872 48.27099 
1 1 1  -12   24   25 o   53.138   25.077  -1.1794   9.0165   23.220   17.948  -9.4159   10.428   81.526   37.404   48.560   23.865 32.96588 44.36874 
1 1 1  -12   24   26 o   68.234   28.090   9.4717   8.0021  -8.8270   19.599   13.132   8.7660   59.859   29.962   75.672   30.016 -15.81288 42.41076 
1 1 1  -12   24   27 o   51.509   23.723   1.0985   7.3150 -14.2700   21.103   3.1973   7.7985   57.833   29.223   55.502   25.152 2.331055 38.55605 
1 1 1  -12   24   28 o   43.627   21.257  -6.0189   7.7586   24.030   22.299 -10.1575   8.2757   72.422   35.449   41.528   20.567 30.89409 40.98337 
1 1 1  -12   24   29 o   45.735   21.935  -2.8114   7.4857 -10.0900   22.346  -1.8914   7.9448   57.560   29.194   47.730   22.813 9.830021 37.05048 
1 1 1  -12   24   30 o   44.315   21.592  -4.7695   8.0029   0.0000   0.0000  -4.7695   8.0029  ?   ?    44.315   21.592 0.000000 21.59193 
1 1 1  -12   24   31 o   41.814   20.521  -5.8851   7.6248 -33.8300   22.064  -2.0951   8.1254   49.246   25.291   46.363   22.392 2.883537 33.77934 
1 1 1  -12   24   32 o   50.554   23.952   2.4867   8.3762   0.7994   23.265   2.7380   8.9783   55.672   28.385   51.349   24.462 4.322964 37.47119 
1 1 1  -12   25    1 o   58.543   25.563   1.2047   7.3264   16.523   11.615  -8.9173   9.4416   96.122   35.414   51.464   24.670 44.65771 43.15955 
1 1 1  -12   25    2 o  101.077   28.508   16.822   7.7872   12.251   11.926   20.219   10.282   87.151   34.867  106.700   33.443 -19.54893 48.31290 
1 1 1  -12   25    3 o  194.896   17.768   53.857   8.8714   55.571   12.886   52.313   12.231  187.719   27.302  182.886   26.599 4.833389 38.11675 
1 1 1  -12   25    4 o  220.828   16.369   68.232   9.2963   61.190   13.578   74.447   12.755  196.755   27.384  223.860   22.293 -27.10503 35.31025 
1 1 1  -12   25    5 o  241.332   15.018   80.571   9.3415   71.174   13.728   88.676   12.748  215.032   25.119  247.167   20.086 -32.13544 32.16227 
1 1 1  -12   25    6 o  157.249   21.053   36.554   8.3603   31.756   12.553   40.379   11.207  130.789   35.944  157.856   28.456 -27.06734 45.84399 
1 1 1  -12   25    7 o  180.146   17.944   46.396   8.2620   45.302   12.527   47.238   10.992  164.621   30.500  174.514   25.032 -9.892853 39.45697 
1 1 1  -12   25    8 o   95.669   32.227   16.315   9.4567   19.780   18.999   15.173   10.903   97.545   41.875   91.674   34.207 5.871437 54.07064 
1 1 1  -12   25    9 o  178.105   22.818   48.190   10.285   55.000   20.895   46.012   11.815  149.933   47.760  167.937   28.158 -18.00365 55.44221 
1 1 1  -12   25   10 o   58.128   26.037   0.3018   8.0857   1.6800   17.436  -0.0758   9.1264   76.268   35.636   60.241   27.262 16.02652 44.86803 
1 1 1  -12   25   11 o   60.249   25.988   2.6071   7.3847   4.6850   17.739   2.1716   8.1219   78.772   36.512   61.202   26.814 17.56985 45.30056 
1 1 1  -12   25   12 o  120.239   25.200   23.264   7.5977  -6.8270   18.240   29.581   8.3572   69.787   33.667  136.710   24.500 -66.92303 41.63779 
1 1 1  -12   25   13 o   78.529   27.761   10.304   7.0490   14.580   21.627   9.7956   7.4562   88.285   40.708   76.991   28.373 11.29333 49.61992 
1 1 1  -12   25   14 o   66.822   28.469   5.0925   8.6620   0.0000   0.0000   5.0925   8.6620  ?   ?    66.822   28.469 0.000000 28.46919 
1 1 1  -12   25   15 o   66.264   27.125   5.8905   7.4093 -14.2000   15.728   11.620   8.3996   59.894   29.410   80.900   30.056 -21.00651 42.05071 
1 1 1  -12   25   16 o   81.609   27.097   11.573   6.6884   6.5250   17.628   12.422   7.2289   76.894   35.896   83.629   28.176 -6.735527 45.63335 
1 1 1  -12   25   17 o   63.767   26.126   5.4812   6.8815   1.9710   18.716   6.0299   7.3999   73.135   34.972   65.729   27.030 7.405800 44.20028 
1 1 1  -12   25   18 o  105.718   27.068   19.700   7.4442   20.480   19.428   19.566   8.0593   87.800   39.751  102.957   28.989 -15.15700 49.19886 
1 1 1  -12   25   19 o   58.642   25.301   3.4950   7.0022   3.9970   18.515   3.4112   7.5641   72.255   34.613   59.527   25.983 12.72800 43.28053 
1 1 1  -12   25   20 o   63.715   26.360   6.0506   7.0941   27.710   18.128   2.1338   7.7089   92.987   40.412   56.971   25.478 36.01609 47.77279 
1 1 1  -12   25   21 o   84.752   28.886   14.347   7.5987  -6.8270   18.005   18.936   8.3818   62.740   30.936   96.278   30.198 -33.53775 43.23146 
1 1 1  -12   25   22 o   57.571   25.417   3.5304   7.4270   16.170   16.704   0.4161   8.2917   77.163   35.648   54.243   25.079 22.92061 43.58628 
1 1 1  -12   25   23 o   48.410   23.525  -6.4224   9.3273 -16.9300   17.419  -2.1985   11.044   55.312   27.765   55.429   26.600 -0.1164436 38.45100 
1 1 1  -12   25   24 o   54.265   25.501   0.3415   9.1482   4.0270   18.464  -0.8576   10.532   65.047   31.925   55.106   26.319 9.940872 41.37455 
1 1 1  -12   25   25 o   68.727   28.012   10.220   7.8596  -5.0570   20.158   12.959   8.5351   60.299   30.212   74.090   29.545 -13.79070 42.25747 
1 1 1  -12   25   26 f   44.304   21.480  -4.9586   7.6576   20.290   21.234  -8.7330   8.2101   70.583   34.558   42.369   20.891 28.21365 40.38155 
1 1 1  -12   25   27 o   73.946   28.718   13.368   7.8802   39.800   22.736   9.7588   8.4009   78.324   37.735   65.253   27.924 13.07153 46.94394 
1 1 1  -12   25   28 o   37.794   19.139 -19.7581   9.3570   0.0000   0.0000 -19.7581   9.3570  ?   ?    37.794   19.139 0.000000 19.13858 
1 1 1  -12   25   29 o   43.714   21.591  -7.0439   8.9021   0.0000   0.0000  -7.0439   8.9021  ?   ?    43.714   21.591 0.000000 21.59124 
1 1 1  -12   25   30 o   87.180   30.276   21.159   8.3609   22.980   21.146   20.821   9.1027   63.574   31.714   82.170   31.128 -18.59610 44.43801 
1 1 1  -12   25   31 o   66.337   28.390   13.984   8.6844   21.640   23.196   12.735   9.3656   59.670   30.207   62.937   28.118 -3.266483 41.26872 
1 1 1  -12   26    1 o   99.910   29.434   17.274   8.1326   35.719   12.358   3.1821   10.801  139.267   34.447   68.482   30.422 70.78422 45.95741 
1 1 1  -12   26    2 f   90.235   29.687   14.126   8.0348   10.114   12.164   17.231   10.701   80.944   34.075   95.573   34.161 -14.62952 48.25014 
1 1 1  -12   26    3 o  113.883   27.599   21.610   8.0564   22.004   12.039   21.291   10.842  104.923   36.337  105.455   34.475 -0.5322876 50.08848 
1 1 1  -12   26    4 o  143.213   21.231   30.902   7.6373   31.061   11.542   30.777   10.186  129.408   33.994  133.740   30.126 -4.332047 45.42211 
1 1 1  -12   26    5 o   70.134   27.573   7.0826   7.3364   0.5453   11.025   12.278   9.8285   64.893   29.600   83.839   32.205 -18.94576 43.74136 
1 1 1  -12   26    6 o   50.707   23.415  -2.5124   7.1949 -11.5500   11.366   3.5305   9.2940   53.360   25.939   65.757   28.750 -12.39700 38.72181 
1 1 1  -12   26    7 o   72.492   30.050   7.3414   9.2451   6.2370   18.896   7.6889   10.601   80.154   37.333   74.547   31.619 5.607529 48.92303 
1 1 1  -12   26    8 o  152.146   33.055   42.199   12.655   34.740   21.401   46.210   15.692  109.675   45.612  147.796   40.009 -38.12074 60.67320 
1 1 1  -12   26    9 o  174.873   20.860   46.221   9.2627   39.890   20.808   47.786   10.344  116.987   46.295  174.703   23.450 -57.71633 51.89573 
1 1 1  -12   26   10 o  216.353   15.291   66.161   8.5142  -6.3190   20.563   81.159   9.3537   71.514   34.792  239.913   15.129 -168.3990 37.93934 
1 1 1  -12   26   11 o  184.834   18.751   50.517   8.8532   0.0000   0.0000   50.517   8.8532  ?   ?   184.834   18.751 0.000000 18.75085 
1 1 1  -12   26   12 o  174.526   23.633   48.452   10.409   0.0000   0.0000   48.452   10.409  ?   ?   174.526   23.633 0.000000 23.63252 
1 1 1  -12   26   13 o   51.416   24.113  -3.3320   8.1088 -23.2300   18.452   1.4302   9.0271   58.917   29.428   60.236   27.200 -1.318203 40.07273 
1 1 1  -12   26   14 o   52.926   23.947   0.0022   7.0376 -35.2000   17.788   6.5348   7.6629   52.816   26.704   66.939   27.514 -14.12302 38.34242 
1 1 1  -12   26   15 o   46.158   21.577  -2.9049   6.4043   12.120   14.796  -6.3690   7.1043   79.059   35.330   44.188   21.240 34.87127 41.22298 
1 1 1  -12   26   16 o   87.903   27.163   14.099   6.8099   13.900   17.238   14.136   7.4128   80.058   36.703   86.547   28.517 -6.489044 46.47945 
1 1 1  -12   26   17 o   60.301   25.682   4.4947   7.0444  -5.5650   18.452   6.2111   7.6217   65.145   31.961   64.669   27.085 0.4757156 41.89364 
1 1 1  -12   26   18 o   88.076   28.644   15.220   7.4879   15.150   19.347   15.232   8.1208   78.171   36.843   86.441   29.848 -8.270058 47.41643 
1 1 1  -12   26   19 o   76.203   28.056   11.458   7.2880   19.990   19.277   10.036   7.8722   80.319   37.509   71.936   28.473 8.383148 47.09168 
1 1 1  -12   26   20 o   95.422   28.609   18.389   7.6313   11.710   19.456   19.604   8.2961   72.278   34.844   96.385   30.013 -24.10630 45.98801 
1 1 1  -12   26   21 o   84.565   29.002   15.374   7.6605   41.290   19.753   10.787   8.3110   95.539   41.838   71.317   28.903 24.22131 50.85107 
1 1 1  -12   26   22 o   59.234   27.353   4.0071   9.8195   12.910   19.711   1.0684   11.325   69.640   33.921   57.586   27.444 12.05380 43.63308 
1 1 1  -12   26   23 o   90.440   32.425   21.295   9.6487   19.200   20.694   21.877   10.907   71.293   34.733   87.039   33.790 -15.74633 48.45807 
1 1 1  -12   26   24 o   61.566   26.716   7.4230   7.8983 -10.8200   20.705   10.530   8.5444   56.980   28.809   67.278   28.453 -10.29804 40.49121 
1 1 1  -12   26   25 o   85.926   29.518   18.015   7.9371   31.620   21.854   15.948   8.5189   73.681   35.852   78.075   29.985 -4.394547 46.73772 
1 1 1  -12   26   26 o   67.729   28.262   11.683   8.2554   4.9570   22.053   12.779   8.9027   60.338   30.412   68.917   29.089 -8.579819 42.08387 
1 1 1  -12   26   27 o   48.398   23.229  -0.6545   8.4273   0.0000   0.0000  -0.6545   8.4273  ?   ?    48.398   23.229 0.000000 23.22873 
1 1 1  -12   26   28 o   45.552   22.185  -2.8015   8.4229 -17.1000   19.932   0.3069   9.2935   50.521   25.803   49.605   23.956 0.9157906 35.20883 
1 1 1  -12   26   29 o   48.997   23.175   2.2280   7.7803  -5.8660   16.921   4.3981   8.7615   50.776   25.715   52.292   24.691 -1.516392 35.64974 
1 1 1  -12   26   30 o  116.798   30.737   36.606   9.4253   39.240   23.687   36.111   10.274   62.536   31.519  106.160   33.455 -43.62462 45.96405 
1 1 1  -12   27    1 o  103.763   28.324   18.869   7.8259   11.116   12.033   24.553   10.302   80.118   33.818  112.932   33.088 -32.81371 47.31217 
1 1 1  -12   27    2 o   53.679   24.569  -1.1327   7.6817   2.0333   11.897  -3.3964   10.060   66.920   30.611   56.972   26.763 9.947727 40.66010 
1 1 1  -12   27    3 f   60.330   26.037   3.1386   7.4204  -1.3337   11.626   6.2131   9.6392   62.501   29.168   69.727   29.877 -7.225880 41.75454 
1 1 1  -12   27    4 o   43.109   21.163 -11.7311   8.1287 -10.5500   16.851 -12.0893   9.2798   63.725   31.111   46.455   22.766 17.26963 38.55105 
1 1 1  -12   27    5 o  171.932   28.202   50.434   12.125   47.170   17.294   53.590   17.003  138.408   43.371  153.874   41.645 -15.46632 60.12759 
1 1 1  -12   27    6 f   86.367   32.002   14.359   9.5105   7.4434   11.635   28.280   16.508   73.256   32.095  104.016   41.212 -30.76018 52.23507 
1 1 1  -12   27    7 f  144.679   25.479   34.540   9.1997   33.170   16.093   35.205   11.212  113.055   41.680  137.196   32.118 -24.14139 52.61909 
1 1 1  -12   27    8 o  184.558   21.063   52.502   9.8888   47.370   15.969   55.694   12.594  142.824   41.009  180.144   27.891 -37.32001 49.59475 
1 1 1  -12   27    9 o   72.321   33.429   5.3420   14.719   0.0000   0.0000   5.3420   14.719  ?   ?    72.321   33.429 0.000000 33.42937 
1 1 1  -12   27   10 o  131.980   26.405   29.737   8.7119   27.460   19.468   30.308   9.7418   95.484   41.682  128.773   29.797 -33.28918 51.23657 
1 1 1  -12   27   11 o  140.934   22.032   31.574   7.7798   23.550   19.705   33.056   8.4676   89.934   40.438  142.077   23.854 -52.14330 46.94891 
1 1 1  -12   27   12 o   78.271   28.222   11.356   7.3198   14.160   17.792   10.785   8.0310   80.312   36.992   76.173   29.147 4.138985 47.09477 
1 1 1  -12   27   13 o   81.785   28.933   12.904   7.6577   30.440   19.922   9.8634   8.2950   94.494   41.678   73.308   29.160 21.18595 50.86597 
1 1 1  -12   27   14 o   49.558   22.830  -0.9572   6.7802 -14.7800   18.188   1.2738   7.3069   59.740   29.738   54.499   24.553 5.240646 38.56471 
1 1 1  -12   27   15 o   58.234   25.127   3.9386   6.9076   14.810   15.291   1.1515   7.7425   78.122   35.327   54.860   24.939 23.26260 43.24308 
1 1 1  -12   27   16 o   80.989   28.003   13.024   7.1491   0.2005   17.377   15.637   7.8437   65.392   31.852   87.128   29.350 -21.73567 43.31219 
1 1 1  -12   27   17 o  166.682   19.103   43.758   8.0987   55.690   19.916   41.394   8.8648  118.448   45.750  157.180   22.408 -38.73207 50.94315 
1 1 1  -12   27   18 o  149.359   21.661   37.282   8.1358   36.230   20.624   37.476   8.8538   88.787   40.493  145.747   24.308 -56.95961 47.22907 
1 1 1  -12   27   19 o   73.518   28.422   11.767   7.6918   13.290   20.078   11.505   8.3270   70.190   34.200   72.035   29.023 -1.844818 44.85475 
1 1 1  -12   27   20 o   51.012   23.661   0.6903   7.4682 -37.8000   19.464   7.3354   8.0872   49.359   25.233   62.573   27.093 -13.21408 37.02307 
1 1 1  -12   27   21 o   48.772   23.821  -5.2231   9.9065   16.880   19.825 -12.5793   11.437   69.066   33.725   46.603   23.260 22.46340 40.96789 
1 1 1  -12   27   22 o   50.491   24.103  -0.6894   8.8114   18.480   20.559  -5.0029   9.7525   68.057   33.460   48.109   23.526 19.94800 40.90262 
1 1 1  -12   27   23 f  129.639   24.932   32.482   8.0682   39.750   21.715   31.318   8.6903   77.337   37.163  121.047   28.234 -43.70997 46.67185 
1 1 1  -12   27   24 o   60.709   26.321   8.1554   7.6532   19.150   21.505   6.5609   8.1894   64.933   32.326   57.873   26.041 7.059982 41.51001 
1 1 1  -12   27   25 o   48.701   23.259   0.1701   8.2234 -10.6200   21.930   1.9356   8.8707   53.977   27.524   51.418   24.444 2.559589 36.81124 
1 1 1  -12   27   26 o   51.911   25.012   2.3465   9.9939   0.0000   0.0000   2.3465   9.9939  ?   ?    51.911   25.012 0.000000 25.01226 
1 1 1  -12   27   27 o   47.101   22.907  -0.7256   8.8934   6.7380   20.711  -2.4128   9.8474   55.694   28.232   46.876   23.068 8.817669 36.45782 
1 1 1  -12   27   28 o   67.440   28.337   15.102   8.3871   24.400   18.844   12.805   9.3659   60.680   30.217   61.307   27.693 -0.6265755 40.98708 
1 1 1  -12   27   29 o   62.598   27.476   13.995   8.5625   34.980   22.286   10.361   9.2743   59.432   30.030   56.151   26.154 3.280598 39.82237 
1 1 1  -12   28    1 o   70.869   32.720   5.2680   14.040   0.0000   0.0000   5.2680   14.040  ?   ?    70.869   32.720 0.000000 32.71972 
1 1 1  -12   28    2 o   91.264   38.950   22.090   16.265   0.0000   0.0000   22.090   16.265  ?   ?    91.264   38.950 0.000000 38.95021 
1 1 1  -12   28    3 o   74.306   33.086   9.0690   12.850   9.0690   12.850   0.0000   0.0000   74.306   33.086  ?   ?  0.000000 33.08614 
1 1 1  -12   28    4 o   71.328   29.844   8.4584   9.2404   3.4150   12.018   15.750   14.451   66.359   30.505   83.223   36.125 -16.86432 47.28176 
1 1 1  -12   28    5 o  160.960   26.038   44.165   10.485   43.210   14.676   45.160   14.986  135.254   39.452  138.141   39.744 -2.886948 56.00069 
1 1 1  -12   28    6 o  142.449   24.967   34.158   8.8767   31.697   11.162   38.390   14.641  123.774   33.843  123.520   40.046 0.2546387 52.43148 
1 1 1  -12   28    7 o   91.507   28.855   16.036   7.6420   26.617   10.924   5.8948   10.694  110.481   34.446   67.417   30.089 43.06401 45.73710 
1 1 1  -12   28    8 o   64.767   26.771   6.3915   7.3080   3.1540   10.422   9.5231   10.250   63.023   28.759   72.552   30.941 -9.528469 42.24290 
1 1 1  -12   28    9 o  120.490   31.367   28.907   9.8856   5.7620   17.824   39.190   11.880   71.411   34.143  137.857   33.580 -66.44587 47.88899 
1 1 1  -12   28   10 o  131.954   21.518   28.132   7.1015   29.550   18.870   27.898   7.6650   92.252   40.632  128.505   23.907 -36.25301 47.14386 
1 1 1  -12   28   11 o   78.331   27.856   11.947   7.1072   7.2810   17.389   12.883   7.7874   70.985   33.879   79.878   29.062 -8.892822 44.63636 
1 1 1  -12   28   12 o   65.863   26.722   7.5327   7.1124   6.3540   19.276   7.7185   7.6524   70.195   34.043   66.444   27.424 3.750076 43.71510 
1 1 1  -12   28   13 o   59.297   25.258   4.9503   6.8152   7.5550   19.348   4.5813   7.2819   69.992   33.982   59.112   25.651 10.87970 42.57648 
1 1 1  -12   28   14 o   81.852   28.398   13.963   7.3551   12.720   18.763   14.189   7.9950   72.142   34.635   80.883   29.444 -8.741096 45.45899 
1 1 1  -12   28   15 o   61.450   26.078   6.3045   7.2170   6.1800   16.763   6.3328   7.9960   66.162   32.005   61.972   26.886 4.190487 41.79922 
1 1 1  -12   28   16 o   64.076   26.375   7.8024   7.0541   20.570   18.015   5.4904   7.6662   75.424   35.549   59.516   26.064 15.90789 44.08041 
1 1 1  -12   28   17 f   86.831   29.319   17.168   7.8275 -17.0000   19.687   23.584   8.5308   55.339   27.993  102.897   30.098 -47.55790 41.10349 
1 1 1  -12   28   18 o   62.496   26.724   7.7954   7.6835   15.850   19.738   6.3569   8.3414   68.360   33.437   59.990   26.688 8.370697 42.78201 
1 1 1  -12   28   19 o   60.918   27.789   7.2580   9.7192   24.600   20.412   2.1734   11.052   71.474   34.748   55.991   26.801 15.48243 43.88300 
1 1 1  -12   28   20 o   50.368   24.149  -0.5885   9.0563   16.980   20.408  -4.8967   10.106   65.840   32.552   48.223   23.658 17.61761 40.24071 
1 1 1  -12   28   21 o   48.769   23.058   0.3637   7.6861   1.0150   20.294   0.2547   8.3048   58.027   29.238   49.586   23.596 8.440289 37.57147 
1 1 1  -12   28   22 o   58.579   25.973   7.4257   7.8371   13.910   20.641   6.3335   8.4715   61.730   30.876   56.860   25.940 4.869926 40.32644 
1 1 1  -12   28   23 o   71.266   28.947   14.767   8.3559   19.420   21.104   13.902   9.0996   62.422   31.222   67.736   29.027 -5.314640 42.63055 
1 1 1  -12   28   24 o   38.557   19.377 -12.5014   8.6109   0.0000   0.0000 -12.5014   8.6109  ?   ?    38.557   19.377 0.000000 19.37733 
1 1 1  -12   28   25 o   46.383   22.717  -1.6384   9.2012 -17.5100   23.978   1.1024   9.9640   50.400   25.904   49.375   24.065 1.025097 35.35752 
1 1 1  -12   28   26 o   41.964   20.748  -4.6289   8.2913   9.1990   21.150  -7.1398   9.0127   54.178   27.571   41.408   20.664 12.76995 34.45497 
1 1 1  -12   28   27 o   45.164   21.981   0.3836   8.2255   7.8230   18.330  -1.4923   9.2043   52.088   26.421   44.631   22.028 7.456444 34.39885 
1 1 1  -12   29    1 o   43.808   20.912  -4.5713   6.6308  -1.2108   10.063  -7.1499   8.8151   56.284   26.541   47.518   23.040 8.766434 35.14603 
1 1 1  -12   29    2 o   48.469   22.570  -1.6621   6.9007 -20.1149   10.097   14.511   9.4528   41.870   21.034   81.444   31.502 -39.57476 37.87908 
1 1 1  -12   29    3 o  112.940   26.428   23.117   7.5943   17.953   11.117   27.634   10.398   86.018   33.903  112.270   33.336 -26.25245 47.54665 
1 1 1  -12   29    4 o  107.172   27.199   21.399   7.5634   8.4484   10.461   35.583   10.948   69.058   30.339  131.035   32.430 -61.97693 44.40917 
1 1 1  -12   29    5 o   97.700   27.867   18.425   7.3979   21.723   10.182   14.736   10.767   96.475   33.416   79.529   32.643 16.94588 46.71382 
1 1 1  -12   29    6 o  125.828   23.608   27.073   7.4120   30.719   10.850   23.883   10.149  117.025   33.862  101.799   33.360 15.22557 47.53393 
1 1 1  -12   29    7 o   63.195   26.352   6.5547   7.1703   0.7331   10.319   11.989   9.9702   57.920   27.175   74.172   31.014 -16.25192 41.23523 
1 1 1  -12   29    8 o   79.875   28.186   13.080   7.2629   13.047   10.329   13.112   10.214   75.387   31.548   75.612   31.484 -0.2246246 44.57092 
1 1 1  -12   29    9 o   87.043   28.925   15.946   7.6204   28.157   11.099   5.0557   10.481  106.299   34.888   62.541   28.653 43.75770 45.14598 
1 1 1  -12   29   10 o   66.952   28.697   8.7563   8.8972   4.6760   17.412   10.198   10.350   65.733   31.988   69.289   30.316 -3.556282 44.07151 
1 1 1  -12   29   11 o   38.296   18.840  -8.6093   6.5514 -39.1200   17.035  -3.3132   7.0973   46.663   23.834   45.518   21.702 1.144966 32.23438 
1 1 1  -12   29   12 o   58.080   25.243   5.0657   7.0737  -2.7210   18.976   6.3222   7.6231   61.051   30.388   60.928   26.342 0.1223755 40.21665 
1 1 1  -12   29   13 o   95.697   28.511   19.631   7.5967   45.740   19.514   14.967   8.2473   95.209   41.642   79.226   29.713 15.98341 51.15558 
1 1 1  -12   29   14 o   96.150   28.645   20.208   7.6685   31.560   17.652   17.567   8.5139   82.569   37.581   84.227   30.427 -1.657753 48.35456 
1 1 1  -12   29   15 o   82.210   28.298   15.560   7.2966   21.210   17.187   14.318   8.0589   72.226   34.245   76.158   29.184 -3.931587 44.99377 
1 1 1  -12   29   16 o   35.111   17.646 -14.0993   7.1414 -29.8500   18.457 -11.3260   7.7447   48.603   24.823   38.669   19.274 9.934196 31.42767 
1 1 1  -12   29   17 o   43.488   21.213  -5.0421   7.7885 -23.6000   19.863  -1.6705   8.4665   50.873   25.964   48.094   23.135 2.779400 34.77539 
1 1 1  -12   29   18 o   59.258   27.309   7.6171   9.7134   3.8140   20.313   8.7445   11.060   58.630   29.505   60.522   28.312 -1.891876 40.89155 
1 1 1  -12   29   19 o  115.711   31.585   33.981   9.7320   22.840   21.437   36.873   10.922   64.751   32.242  113.041   34.302 -48.29017 47.07621 
1 1 1  -12   29   20 o   48.184   22.837   0.9328   7.6288 -79.7600   20.568   13.804   8.2147  ?   ?    69.343   28.493 0.000000 28.49317 
1 1 1  -12   29   21 o   38.884   19.336  -8.4775   7.6067   2.7280   20.539 -10.2587   8.1890   55.325   28.053   38.998   19.497 16.32704 34.16265 
1 1 1  -12   29   22 o   44.648   21.740  -2.0411   8.0763   30.730   23.501  -6.4296   8.6001   62.176   31.346   41.991   20.826 20.18557 37.63358 
1 1 1  -12   29   23 o   45.770   22.636  -2.8176   9.8964   0.0000   0.0000  -2.8176   9.8964  ?   ?    45.770   22.636 0.000000 22.63646 
1 1 1  -12   29   24 o   64.298   28.507   15.805   9.4388   32.040   21.906   12.103   10.460   59.779   30.153   57.793   27.193 1.985916 40.60364 
1 1 1  -12   29   25 o   50.805   24.038   6.1675   8.3813  -1.1980   21.536   7.4822   9.0986   49.456   25.373   52.147   24.780 -2.691383 35.46612 
1 1 1  -12   29   26 o   46.489   22.450   3.3668   8.1588   11.000   20.299   1.8960   8.9103   50.462   25.794   45.548   22.319 4.914207 34.10955 
1 1 1  -12   30    1 o   58.953   25.552   5.1824   7.2086  -4.4442   10.306   14.403   10.087   51.495   24.955   76.204   31.472 -24.70858 40.16474 
1 1 1  -12   30    2 o   69.505   27.447   9.9220   7.2993   4.0585   10.695   15.036   9.9873   60.443   28.130   77.466   31.576 -17.02304 42.28851 
1 1 1  -12   30    3 o   39.332   19.370  -9.0078   6.9902  -3.8209   10.291 -13.4515   9.5250   51.848   25.080   43.053   21.446 8.794910 32.99875 
1 1 1  -12   30    4 o   55.376   24.257   3.8545   6.6444   2.5470   9.4751   5.1196   9.3199   57.066   26.531   60.317   27.397 -3.251015 38.13823 
1 1 1  -12   30    5 o   65.638   26.801   8.5467   7.2107   14.446   10.390   3.0657   10.015   74.873   31.505   58.080   27.094 16.79312 41.55266 
1 1 1  -12   30    6 o   87.415   28.630   16.722   7.4758   19.260   10.404   14.013   10.749   83.835   32.875   73.231   31.470 10.60352 45.50920 
1 1 1  -12   30    7 o  144.269   21.413   35.529   7.7593   39.369   10.990   31.712   10.957  131.683   32.432  110.889   34.486 20.79391 47.34052 
1 1 1  -12   30    8 f  119.148   26.388   27.653   7.9296   25.266   11.381   29.904   11.054   91.869   34.806  104.525   34.842 -12.65605 49.24833 
1 1 1  -12   30    9 o   41.306   20.253  -7.2711   7.3759 -11.0821   10.478  -3.5274   10.385   45.638   22.694   50.858   24.739 -5.219818 33.57157 
1 1 1  -12   30   10 o   58.105   26.390   5.3664   8.6456   14.190   16.878   2.2277   10.066   67.177   32.402   55.400   26.250 11.77645 41.70112 
1 1 1  -12   30   11 o   82.984   27.756   15.640   7.0145   13.100   18.666   16.057   7.5693   65.236   32.034   81.862   28.786 -16.62613 43.06710 
1 1 1  -12   30   12 o   48.430   22.752   0.2376   7.2740   18.410   18.326  -3.1608   7.9250   67.457   32.825   45.797   22.118 21.65999 39.58141 
1 1 1  -12   30   13 o   44.433   21.372  -2.7203   7.2225 -10.2600   18.107  -1.2937   7.8762   53.335   26.963   47.322   22.645 6.012547 35.21078 
1 1 1  -12   30   14 o   63.837   26.923   9.8738   7.6159   9.8340   17.969   9.8825   8.4085   60.837   30.162   63.072   27.467 -2.234814 40.79389 
1 1 1  -12   30   15 o   69.141   28.014   12.791   7.8054   37.780   18.951   7.6864   8.5657   76.020   36.020   58.656   26.490 17.36372 44.71173 
1 1 1  -12   30   16 o   50.366   24.309   0.7868   9.5347   3.3080   19.817   0.0274   10.876   56.531   28.535   50.998   24.919 5.533222 37.88372 
1 1 1  -12   30   17 o   64.090   28.499   12.731   9.5011  -5.9650   20.351   17.942   10.744   53.029   26.992   69.812   30.707 -16.78275 40.88315 
1 1 1  -12   30   18 o   38.945   19.413  -8.9505   7.8628 -16.2400   19.671  -7.5644   8.5779   49.379   25.253   41.375   20.568 8.003975 32.56889 
1 1 1  -12   30   19 o   50.001   23.538   3.4020   7.8529   47.650   20.900  -3.8715   8.4738   71.632   34.900   43.521   21.413 28.11181 40.94559 
1 1 1  -12   30   20 o   52.592   24.331   5.8895   7.8220   14.470   21.681   4.6055   8.3869   56.073   28.472   51.070   24.127 5.003143 37.32013 
1 1 1  -12   30   21 o   61.551   28.113   14.624   9.9878   0.0000   0.0000   14.624   9.9878  ?   ?    61.551   28.113 0.000000 28.11315 
1 1 1  -12   30   22 o   62.426   27.974   15.416   9.3442   9.2740   22.406   16.709   10.281   52.063   26.650   62.134   28.434 -10.07126 38.97060 
1 1 1  -12   30   23 o   40.439   19.978  -3.2370   7.6335  -1.4560   21.008  -3.5080   8.1935   48.386   24.839   41.041   20.351 7.345142 32.11147 
1 1 1  -12   30   24 o   40.142   19.842  -2.5556   7.5675   9.9800   21.268  -4.3729   8.0975   49.253   25.265   39.546   19.711 9.706760 32.04472 
1 1 1  -12   31    1 o   72.337   27.690   12.342   7.2500   16.612   10.370   8.2607   10.139   74.679   31.451   61.924   28.300 12.75407 42.30941 
1 1 1  -12   31    2 o  107.200   27.189   24.011   7.5613   14.272   11.107   32.423   10.323   69.579   30.882  112.108   33.197 -42.52900 45.34060 
1 1 1  -12   31    3 o   66.382   27.399   10.314   7.6381   13.524   10.584   6.8257   11.034   68.839   30.370   60.053   28.152 8.786301 41.41066 
1 1 1  -12   31    4 f   70.419   27.649   11.914   7.3678   11.310   10.751   12.448   10.117   65.260   29.557   67.398   29.715 -2.137207 41.91150 
1 1 1  -12   31    5 o   61.732   26.031   8.1928   7.1181  -5.8645   10.043   22.385   10.091   47.284   23.273   86.133   32.739 -38.84901 40.16842 
1 1 1  -12   31    6 f   63.814   26.498   9.2965   7.2068   11.536   10.011   6.8876   10.383   65.378   29.150   59.161   27.595 6.217060 40.13979 
1 1 1  -12   31    7 o  120.056   26.071   29.329   7.8755   35.058   11.359   24.027   10.928  107.777   35.291   84.754   33.547 23.02326 48.69154 
1 1 1  -12   31    8 o   63.280   26.761   9.5670   7.5581 -10.0831   10.840   28.158   10.544   45.242   22.591   95.188   33.920 -49.94567 40.75463 
1 1 1  -12   31    9 o   83.393   29.455   18.333   7.9335   36.028   10.937  -1.3177   11.526  111.435   34.421   51.396   25.225 60.03839 42.67450 
1 1 1  -12   31   10 o   49.885   23.360   2.0416   7.5612   13.091   11.001  -7.8533   10.410   64.433   29.459   45.346   22.561 19.08652 37.10544 
1 1 1  -12   31   11 o   49.087   23.665   0.1096   8.9774 -25.4100   18.584   7.8771   10.253   47.558   24.339   57.959   27.160 -10.40117 36.46968 
1 1 1  -12   31   12 o   70.598   28.338   14.253   7.9068   15.640   18.612   13.948   8.7341   60.691   30.191   67.745   28.715 -7.053768 41.66593 
1 1 1  -12   31   13 o   43.023   20.963  -3.2075   7.5457 -16.5600   17.777  -0.2731   8.3337   48.332   24.658   47.143   22.746 1.189514 33.54703 
1 1 1  -12   31   14 o   47.821   23.263  -0.2001   9.1854   13.030   18.261  -4.6813   10.628   57.961   28.998   46.184   22.948 11.77671 36.97977 
1 1 1  -12   31   15 o   42.528   21.170  -6.7714   9.2126   3.2960   19.651  -9.6076   10.430   53.683   27.243   42.722   21.451 10.96065 34.67443 
1 1 1  -12   31   16 o   52.897   25.340   5.9682   9.9226 -34.6700   19.965   19.298   11.435   44.530   22.916   66.298   30.204 -21.76885 37.91333 
1 1 1  -12   31   17 o   40.867   20.206  -4.9000   7.8672   18.850   20.204  -9.1446   8.5414   56.836   28.704   39.202   19.645 17.63423 34.78265 
1 1 1  -12   31   18 o   46.098   22.249   1.3500   7.9874   17.040   22.629  -0.8829   8.5369   54.559   27.833   44.617   21.859 9.941181 35.39049 
1 1 1  -12   31   19 o   41.698   20.912  -6.5515   9.7708   0.0000   0.0000  -6.5515   9.7708  ?   ?    41.698   20.912 0.000000 20.91240 
1 1 1  -12   31   20 o   46.989   22.917   3.0953   9.0766 -26.8900   21.030   9.9594   10.062   43.854   22.613   53.107   25.461 -9.253056 34.05285 
1 1 1  -12   31   21 o   46.387   22.413   3.8050   8.1624   38.990   21.699  -1.9941   8.8094   56.271   28.564   42.080   20.906 14.19108 35.39737 
1 1 1  -12   31   22 o   46.502   22.447   4.9690   8.1352   3.6290   20.882   5.2087   8.8331   46.778   24.040   46.744   22.756 0.3409195E-01 33.10163 
1 1 1  -12   32    1 o   55.831   24.968   6.4553   7.4041   7.8387   10.366   5.0147   10.579   57.605   27.095   54.766   26.216 2.839001 37.70171 
1 1 1  -12   32    2 o   90.040   28.922   20.723   7.6503   23.237   11.006   18.373   10.642   78.372   32.661   71.216   30.957 7.156120 45.00101 
1 1 1  -12   32    3 o   55.881   25.059   6.6188   7.5122   9.5851   10.945   3.9764   10.330   59.081   27.804   53.447   25.669 5.634304 37.84187 
1 1 1  -12   32    4 f   51.747   23.703   4.2226   7.1687 -11.0982   10.089   19.848   10.188   42.262   21.203   74.479   31.260 -32.21656 37.77266 
1 1 1  -12   32    5 o   59.518   25.782   8.7926   7.3299   20.588   10.707  -1.6107   10.056   73.670   31.526   48.170   23.625 25.50033 39.39564 
1 1 1  -12   32    6 o   36.511   18.243  -9.9452   7.1200  -4.0484   10.049 -15.8906   10.090   46.199   22.841   39.622   20.043 6.576439 30.38794 
1 1 1  -12   32    7 o   51.695   23.854   4.5125   7.4467  -4.4954   10.375   14.085   10.695   46.092   22.863   63.155   28.938 -17.06322 36.87948 
1 1 1  -12   32    8 o   70.225   27.853   14.384   7.5476   14.873   10.912   13.935   10.451   63.333   29.097   62.777   28.706 0.5558395 40.87365 
1 1 1  -12   32    9 o   47.436   22.634   1.4315   7.7513   6.0235   11.616  -2.2548   10.407   53.797   26.168   47.081   23.271 6.716675 35.01871 
1 1 1  -12   32   10 o   55.386   25.196   7.6649   7.9209   7.6824   11.540   7.6492   10.891   54.648   26.464   54.676   26.285 -0.2852249E-01 37.29979 
1 1 1  -12   32   11 o   55.565   26.033   8.6279   9.4135   3.3000   17.859   10.678   11.077   52.411   26.529   56.910   27.128 -4.499371 37.94364 
1 1 1  -12   32   12 o   55.922   25.983   9.2111   9.0651   21.750   18.227   5.0902   10.449   58.832   29.364   51.474   24.987 7.358490 38.55602 
1 1 1  -12   32   13 o   43.360   21.520  -3.8681   9.2422  -8.0030   18.658  -2.5236   10.639   48.278   24.682   45.707   22.752 2.570801 33.56815 
1 1 1  -12   32   14 o   45.845   22.634  -0.4735   9.7478  -6.3390   20.013   1.3508   11.161   48.554   24.879   47.985   23.786 0.5693359 34.42051 
1 1 1  -12   32   15 o   42.162   20.769  -2.3503   8.0511 -44.7000   20.151   5.6944   8.7825   41.373   21.365   50.123   23.965 -8.749290 32.10598 
1 1 1  -12   32   16 o   46.666   22.587   3.0039   8.3780   0.0000   0.0000   3.0039   8.3780  ?   ?    46.666   22.587 0.000000 22.58683 
1 1 1  -12   32   17 o   43.809   21.749  -0.6757   9.4675   0.0000   0.0000  -0.6757   9.4675  ?   ?    43.809   21.749 0.000000 21.74919 
1 1 1  -12   32   18 o   37.356   18.891  -9.8694   8.9290  -8.6890   19.980 -10.1640   9.9812   45.054   23.172   38.645   19.591 6.408813 30.34379 
1 1 1  -12   32   19 o   57.283   26.101   14.536   8.5446  -7.9710   20.628   19.198   9.3878   44.386   22.865   61.527   27.765 -17.14077 35.96761 
1 1 1  -12   32   20 o   51.354   24.304   11.153   8.5775   39.210   20.963   5.5112   9.4004   52.524   26.794   45.618   22.466 6.906643 34.96639 
1 1 1  -12   33    1 o   50.850   23.685   5.0621   7.6081   6.8338   11.128   3.5068   10.426   53.017   25.747   50.226   24.510 2.790924 35.54819 
1 1 1  -12   33    2 o   68.019   27.734   14.787   7.7078   19.346   11.398   10.944   10.463   65.110   29.848   56.900   26.902 8.209808 40.18230 
1 1 1  -12   33    3 o   51.534   23.990   5.6999   7.7862   8.4834   10.856   2.7508   11.174   54.183   26.097   49.753   24.500 4.430153 35.79561 
1 1 1  -12   33    4 o   56.078   25.346   8.9372   7.8592 -11.6893   11.044   30.100   11.187   41.553   21.013   81.793   33.388 -40.23967 39.45008 
1 1 1  -12   33    5 f   35.084   17.620 -10.2945   7.0590 -10.1292   10.130 -10.4504   9.8416   40.918   20.622   40.336   20.329 0.5814285 28.95740 
1 1 1  -12   33    6 o   55.907   25.047   8.9093   7.4873   5.9557   10.500   11.965   10.680   51.368   24.961   56.795   26.948 -5.426506 36.73225 
1 1 1  -12   33    7 o   51.729   24.049   6.4750   7.7832 -12.4832   10.837   26.670   11.185   40.497   20.517   73.959   31.943 -33.46240 37.96420 
1 1 1  -12   33    8 o   67.122   27.995   16.041   8.0950   11.928   11.683   19.840   11.227   55.180   26.699   63.639   29.339 -8.459381 39.66864 
1 1 1  -12   33    9 o   64.785   27.443   14.965   7.9699   1.4564   11.909   25.925   10.726   47.722   23.805   73.252   31.456 -25.52932 39.44828 
1 1 1  -12   33   10 o   43.305   21.457  -1.9595   9.0438 -28.5900   16.137   10.236   10.920   40.709   20.932   53.247   25.775 -12.53755 33.20444 
1 1 1  -12   33   11 o   47.065   23.620   1.3390   12.567   5.0040   17.436  -2.6230   18.129   49.267   25.068   47.290   24.189 1.977268 34.83511 
1 1 1  -12   33   12 o   43.773   22.221  -6.0188   13.143   5.4390   19.195 -16.1300   18.032   48.830   24.970   43.728   22.475 5.101292 33.59489 
1 1 1  -12   33   13 o   34.197   17.402 -15.1769   8.4193   0.0000   0.0000 -15.1769   8.4193  ?   ?    34.197   17.402 0.000000 17.40190 
1 1 1  -12   33   14 o   46.340   22.879   4.2347   9.9586   0.0000   0.0000   4.2347   9.9586  ?   ?    46.340   22.879 0.000000 22.87867 
1 1 1  -12   33   15 o   57.139   26.296   15.329   8.9645   6.8190   21.101   17.204   9.9025   46.842   24.077   57.231   26.778 -10.38950 36.01077 
1 1 1  -12   33   16 o   50.247   23.858   9.8509   8.4014   20.790   20.578   7.6628   9.2034   48.648   24.947   47.515   23.152 1.133530 34.03506 
1 1 1  -12   33   17 o   45.141   22.010   5.7058   8.3573   10.430   20.029   4.7100   9.1961   45.593   23.436   44.291   21.889 1.301884 32.06868 
1 1 1  -12   33   18 o   62.914   27.663   21.702   8.7136   42.800   20.619   17.115   9.6144   50.793   25.966   53.509   25.441 -2.715973 36.35193 
1 1 1  -12   34    1 o   36.698   18.345  -6.8318   7.2390 -19.7785   10.064   7.0497   10.421   35.520   18.156   49.722   24.316 -14.20293 30.34642 
1 1 1  -12   34    2 o   50.450   23.723   7.1991   7.9389   17.583   11.769  -1.4723   10.754   57.205   27.454   44.204   22.136 13.00042 35.26677 
1 1 1  -12   34    3 o   41.855   20.572  -0.9387   7.7558   13.601   11.307 -13.8581   10.658   54.168   26.223   38.378   19.534 15.78947 32.69920 
1 1 1  -12   34    4 o   45.953   22.166   3.4914   7.9003   4.3623   10.747   2.4674   11.654   47.382   23.461   46.464   23.234 0.9177856 33.01915 
1 1 1  -12   34    5 o   46.146   22.118   3.9544   7.5846   5.8035   10.826   2.1719   10.629   48.105   23.770   45.759   22.771 2.346355 32.91690 
1 1 1  -12   34    6 o   36.030   18.112  -8.1086   7.5486  -7.1919   11.742  -8.7543   9.8550   41.640   21.124   39.118   19.790 2.521114 28.94600 
1 1 1  -12   34    7 o   44.394   21.985   1.6370   9.4520  -0.6512   18.577   2.4362   10.979   46.014   23.604   45.469   22.709 0.5443420 32.75443 
1 1 1  -12   34    8 o   40.016   20.397 -10.7259   11.947  -7.1460   16.481 -14.6900   17.343   43.643   22.377   42.362   21.778 1.281227 31.22507 
1 1 1  -12   34    9 o   48.107   23.872   8.2875   11.358   15.750   14.626  -3.0510   18.029   50.560   25.388   44.594   22.900 5.966400 34.19011 
1 1 1  -12   34   10 o   35.444   17.976 -10.7002   8.4704 -16.1000   13.599  -7.2773   10.827   39.150   20.091   39.711   20.160 -0.5613556 28.46165 
1 1 1  -12   34   11 o   45.862   22.802   6.1941   10.559   18.080   14.986  -5.5230   14.879   49.939   25.158   42.184   21.603 7.755142 33.16045 
1 1 1  -12   34   12 o   42.459   21.457   0.5364   11.404 -19.8900   20.298   9.9580   13.785   40.923   21.143   46.437   23.482 -5.513943 31.59822 
1 1 1  -12   34   13 f   40.482   20.001   1.0062   7.6583  -4.4270   19.948   1.9454   8.2939   42.429   21.885   41.532   20.573 0.8969727 30.03640 
1 1 1  -12   34   14 o   36.665   18.469  -4.5205   8.0649   26.610   19.368 -11.0502   8.8705   47.303   24.254   34.558   17.611 12.74516 29.97361 
1 1 1  -12   34   15 o   40.425   20.044   2.3411   7.9422 -10.3200   18.532   5.1899   8.7904   39.842   20.572   42.580   21.108 -2.737450 29.47409 
1 1 1  -12   35    1 o   36.428   18.350  -6.1941   7.9665   1.8056   11.512 -13.5452   11.036   43.064   21.739   36.924   18.885 6.140072 28.79629 
1 1 1  -12   35    2 o   48.657   23.558   10.103   9.1337   14.180   17.077   8.4687   10.810   46.849   23.924   46.460   23.095 0.3894157 33.25233 
1 1 1  -12   35    3 o   42.033   21.603  -5.3550   16.713   0.0000   0.0000  -5.3550   16.713  ?   ?    42.033   21.603 0.000000 21.60301 
1 1 1  -12   35    4 o   38.954   20.096 -21.7900   16.997   0.0000   0.0000 -21.7900   16.997  ?   ?    38.954   20.096 0.000000 20.09646 
1 1 1  -12   35    5 o   41.194   20.853  -0.6797   11.045  -1.7430   13.726   1.2730   18.601   41.711   21.312   43.199   22.226 -1.487854 30.79283 
1 1 1  -12   35    6 o   47.346   23.443   11.484   10.727   19.950   14.418   0.9856   16.056   48.873   24.628   42.586   21.852 6.287563 32.92496 
1 1 1  -12   35    7 o   40.486   20.258   0.8009   8.9246  -0.0078   11.179   2.2220   14.820   40.961   20.762   42.409   21.706 -1.448135 30.03654 
1 1 1  -12   35    8 o   42.751   21.216   4.8458   8.9766  -0.6315   11.262   14.390   14.866   40.382   20.506   45.551   23.174 -5.169422 30.94420 
1 1 1  -12   35    9 o   38.056   19.118  -1.5669   8.3381  -4.2778   11.739   1.1935   11.845   38.880   19.852   40.820   20.759 -1.940266 28.72394 
1 1 1  -12   35   10 o   43.030   21.127   6.2823   8.1092   16.580   11.621  -3.4909   11.321   47.323   23.592   38.532   19.660 8.790989 30.70961 
1 1 1  -12   35   11 o   37.210   18.681  -1.1131   7.8967  -2.7246   11.358   0.3949   10.987   38.333   19.570   39.330   20.000 -0.9963646 27.98207 
1 1 1  -12   36    1 o   37.775   19.299  -2.5958   11.231  -2.5958   11.231   0.0000   0.0000   37.775   19.299  ?   ?  0.000000 19.29879 
1 1 1  -12   36    2 o   53.527   25.536   23.124   9.8568   19.923   12.070   29.530   17.077   46.653   23.375   45.457   23.268 1.196526 32.98219 
1 1 1  -12   36    3 o   41.358   20.476   6.1247   8.1777   13.421   11.683  -0.8851   11.451   43.675   22.029   38.189   19.508 5.486092 29.42509 
1 1 1  -12   36    4 o   35.440   17.950  -3.4063   8.2612  -0.9862   11.639  -5.8630   11.727   38.026   19.445   36.617   18.781 1.409664 27.03422 
1 1 1  -12   36    5 o   32.327   16.498  -9.4570   8.0134 -18.6825   10.956   1.1548   11.751   32.669   16.820   38.492   19.671 -5.822983 25.88190 
1 1 1  -11    0    1 o  411.232   11.832  219.763   12.580  219.763   12.580  219.763   12.580  411.232   11.832  411.232   11.832 -0.000000 0.000000 
1 1 1  -11    0    2 o  542.804   12.555  382.592   17.632  382.592   17.632  382.592   17.632  542.804   12.555  542.804   12.555 0.000000 0.000000 
1 1 1  -11    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    0    4 o  671.253   13.505  584.969   23.459  584.969   23.459  584.969   23.459  671.253   13.505  671.253   13.505 0.000000 0.000000 
1 1 1  -11    0    5 o  871.497   21.324  988.400   48.072  988.400   48.072  988.400   48.072  871.497   21.324  871.497   21.324 0.000000 0.000000 
1 1 1  -11    0    6 o  1102.03   24.983  1582.00   71.233  1582.00   71.233  1582.00   71.233  1102.03   24.983  1102.03   24.983 -0.000000 0.000000 
1 1 1  -11    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    0    9 o   55.688   30.175   5.7123   6.1027   5.7123   6.1027   5.7123   6.1027   55.688   30.175   55.688   30.175 -0.000000 0.000000 
1 1 1  -11    0   10 o   96.670   29.746   15.154   6.5150   15.154   6.5150   15.154   6.5150   96.670   29.746   96.670   29.746 -0.000000 0.000000 
1 1 1  -11    0   11 o  144.201   21.208   28.714   7.4195   28.714   7.4195   28.714   7.4195  144.201   21.208  144.201   21.208 0.000000 0.000000 
1 1 1  -11    0   12 o  371.586   13.469  179.820   12.925  179.820   12.925  179.820   12.925  371.586   13.469  371.586   13.469 0.000000 0.000000 
1 1 1  -11    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    0   14 o  227.995   16.715   68.592   9.7496   68.592   9.7496   68.592   9.7496  227.995   16.715  227.995   16.715 -0.000000 0.000000 
1 1 1  -11    0   15 o  296.341   19.613  115.700   14.904  115.700   14.904  115.700   14.904  296.341   19.613  296.341   19.613 -0.000000 0.000000 
1 1 1  -11    0   16 o   71.674   41.441   8.5080   12.479   8.5080   12.479   8.5080   12.479   71.674   41.441   71.674   41.441 -0.000000 0.000000 
1 1 1  -11    0   17 o  424.597   13.752  234.814   15.089  234.814   15.089  234.814   15.089  424.597   13.752  424.597   13.752 0.000000 0.000000 
1 1 1  -11    0   18 o  521.267   13.918  353.682   18.762  353.682   18.762  353.682   18.762  521.267   13.918  521.267   13.918 -0.000000 0.000000 
1 1 1  -11    0   19 o  763.809   15.064  759.360   29.778  759.360   29.778  759.360   29.778  763.809   15.064  763.809   15.064 -0.000000 0.000000 
1 1 1  -11    0   20 o  938.020   16.494  1146.60   40.048  1146.60   40.048  1146.60   40.048  938.020   16.494  938.020   16.494 0.000000 0.000000 
1 1 1  -11    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    0   22 o  605.259   14.483  477.883   22.677  477.883   22.677  477.883   22.677  605.259   14.483  605.259   14.483 0.000000 0.000000 
1 1 1  -11    0   23 f  277.407   16.784  101.604   11.959  101.604   11.959  101.604   11.959  277.407   16.784  277.407   16.784 -0.000000 0.000000 
1 1 1  -11    0   24 o  287.989   16.237  109.429   12.025  109.429   12.025  109.429   12.025  287.989   16.237  287.989   16.237 0.000000 0.000000 
1 1 1  -11    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    0   26 o   93.901   39.108   16.867   9.4982   16.867   9.4982   16.867   9.4982   93.901   39.108   93.901   39.108 -0.000000 0.000000 
1 1 1  -11    0   27 o   83.897   37.748   13.954   8.7807   13.954   8.7807   13.954   8.7807   83.897   37.748   83.897   37.748 -0.000000 0.000000 
1 1 1  -11    0   28 f   74.492   37.923   11.462   9.1881   11.462   9.1881   11.462   9.1881   74.492   37.923   74.492   37.923 -0.000000 0.000000 
1 1 1  -11    0   29 f  310.479   16.373  128.045   13.084  128.045   13.084  128.045   13.084  310.479   16.373  310.479   16.373 0.000000 0.000000 
1 1 1  -11    0   30 o   53.810   32.723   4.3713   8.5298   4.3713   8.5298   4.3713   8.5298   53.810   32.723   53.810   32.723 0.000000 0.000000 
1 1 1  -11    0   31 o  334.121   16.411  148.962   14.125  148.962   14.125  148.962   14.125  334.121   16.411  334.121   16.411 0.000000 0.000000 
1 1 1  -11    0   32 o  125.756   37.780   27.525   10.725   27.525   10.725   27.525   10.725  125.756   37.780  125.756   37.780 -0.000000 0.000000 
1 1 1  -11    0   33 f  135.442   35.089   30.500   10.639   30.500   10.639   30.500   10.639  135.442   35.089  135.442   35.089 -0.000000 0.000000 
1 1 1  -11    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    0   35 o   42.896   29.253  -3.4047   10.062  -3.4047   10.062  -3.4047   10.062   42.896   29.253   42.896   29.253 -0.000000 0.000000 
1 1 1  -11    0   36 o  139.634   36.327   33.712   11.354   33.712   11.354   33.712   11.354  139.634   36.327  139.634   36.327 -0.000000 0.000000 
1 1 1  -11    0   37 o  150.439   33.202   37.598   11.317   37.598   11.317   37.598   11.317  150.439   33.202  150.439   33.202 0.000000 0.000000 
1 1 1  -11    0   38 o   41.737   28.847  -4.2098   10.567  -4.2098   10.567  -4.2098   10.567   41.737   28.847   41.737   28.847 0.000000 0.000000 
1 1 1  -11    0   39 o  280.928   20.894  113.949   15.011  113.949   15.011  113.949   15.011  280.928   20.894  280.928   20.894 0.000000 0.000000 
1 1 1  -11    0   40 o   66.910   38.748   13.106   10.936   13.106   10.936   13.106   10.936   66.910   38.748   66.910   38.748 -0.000000 0.000000 
1 1 1  -11    0   41 o   50.709   33.255   4.9556   10.925   4.9556   10.925   4.9556   10.925   50.709   33.255   50.709   33.255 -0.000000 0.000000 
1 1 1  -11    0   42 o   45.548   30.863   1.7396   10.836   1.7396   10.836   1.7396   10.836   45.548   30.863   45.548   30.863 -0.000000 0.000000 
1 1 1  -11    0   43 o   40.734   29.682 -18.2000   18.336 -18.2000   18.336 -18.2000   18.336   40.734   29.682   40.734   29.682 -0.000000 0.000000 
1 1 1  -11    0   44 o   74.391   42.296   22.342   12.684   22.342   12.684   22.342   12.684   74.391   42.296   74.391   42.296 -0.000000 0.000000 
1 1 1  -11    1    1 o  298.779   8.2912  115.708   6.4168  115.569   9.0649  115.847   9.0845  298.481   11.725  298.840   11.736 -0.3581238 16.58894 
1 1 1  -11    1    2 o  323.197   8.4233  135.398   7.0518  137.577   10.007  133.249   9.9393  325.655   11.862  320.487   11.973 5.167847 16.85426 
1 1 1  -11    1    3 f  707.309   9.6891  648.659   17.752  655.785   25.259  641.705   24.953  710.790   13.719  703.120   13.701 7.669922 19.38890 
1 1 1  -11    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    1    5 o  599.636   12.959  466.640   20.128  479.700   28.422  453.500   28.509  607.385   18.065  590.490   18.639 16.89520 25.95678 
1 1 1  -11    1    6 o  463.051   12.716  278.262   15.252  291.800   22.801  267.300   20.518  473.639   18.585  453.433   17.469 20.20615 25.50650 
1 1 1  -11    1    7 o  829.641   10.558  892.738   22.689  882.194   31.839  903.616   32.340  824.140   14.915  834.078   14.969 -9.937134 21.13085 
1 1 1  -11    1    8 f  591.014   13.283  453.457   20.335   0.0000   0.0000  453.457   20.335  ?   ?   591.014   13.283 0.000000 13.28268 
1 1 1  -11    1    9 f  341.667   9.3103  151.373   8.2398  155.806   11.719  147.038   11.588  346.432   13.059  336.529   13.294 9.903229 18.63480 
1 1 1  -11    1   10 o  225.304   10.327   65.846   6.0266   64.553   8.6952   67.041   8.3605  222.369   15.187  226.731   14.309 -4.362442 20.86570 
1 1 1  -11    1   11 o  309.387   13.606  124.323   10.904   0.0000   0.0000  124.323   10.904  ?   ?   309.387   13.606 0.000000 13.60626 
1 1 1  -11    1   12 o  231.353   11.099   69.460   6.6516   72.402   9.4056   66.517   9.4079  235.474   15.507  225.570   16.209 9.904739 22.43242 
1 1 1  -11    1   13 o  165.876   13.967   36.007   5.9454   45.381   8.3678   26.449   8.4489  185.876   17.588  140.277   24.122 45.59958 29.85324 
1 1 1  -11    1   14 o  509.083   9.4925  336.216   12.518  349.874   18.066  323.605   17.360  518.887   13.441  499.029   13.430 19.85770 19.00082 
1 1 1  -11    1   15 o  651.567   11.459  551.278   19.341  543.200   32.702  555.624   23.985  645.168   19.568  653.681   14.165 -8.513000 24.15720 
1 1 1  -11    1   16 o  380.904   14.078  188.714   13.890  214.800   21.360  169.600   18.284  404.924   20.430  359.843   19.691 45.08127 28.37475 
1 1 1  -11    1   17 o  484.586   9.7343  304.814   12.219  311.845   17.506  298.134   17.062  489.590   13.804  478.713   13.760 10.87677 19.49063 
1 1 1  -11    1   18 o  398.989   9.9478  206.713   10.281  208.909   14.563  204.531   14.516  400.589   14.034  396.353   14.139 4.235779 19.92198 
1 1 1  -11    1   19 o  304.033   10.737  120.124   8.4554  122.743   12.078  117.608   11.841  306.808   15.198  299.928   15.292 6.879517 21.55965 
1 1 1  -11    1   20 o  113.425   21.299   17.444   6.0280   11.893   8.5663   22.889   8.4839   95.267   30.605  129.247   26.237 -33.98028 40.31203 
1 1 1  -11    1   21 o  419.709   10.146  229.053   11.031  235.507   15.741  222.825   15.462  424.754   14.307  413.127   14.449 11.62643 20.33405 
1 1 1  -11    1   22 o  286.468   11.398  106.902   8.4576  113.878   11.929   99.850   11.993  294.505   15.694  275.413   16.892 19.09161 23.05756 
1 1 1  -11    1   23 o  104.499   23.783   15.106   6.2930   7.7969   8.7693   22.866   9.0359   83.462   30.768  127.997   28.030 -44.53590 41.62131 
1 1 1  -11    1   24 o  278.997   11.902  101.657   8.6012  115.920   12.202   87.570   12.127  296.542   15.943  256.870   18.346 39.67203 24.30575 
1 1 1  -11    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    1   26 o   98.264   25.224   13.577   6.4530   18.238   9.1638   8.9919   9.0885  112.861   30.584   86.318   31.398 26.54273 43.83155 
1 1 1  -11    1   27 o  173.387   16.447   40.126   7.2984   50.470   10.374   29.989   10.270  192.910   21.105  145.402   28.285 47.50729 35.29142 
1 1 1  -11    1   28 o   60.222   24.527   2.3340   6.0200  -3.3831   8.8416   7.2750   8.2195   59.845   26.981   79.494   29.692 -19.64944 40.11983 
1 1 1  -11    1   29 o  184.913   15.204   45.607   7.2181   47.014   10.125   44.153   10.293  185.156   21.511  178.800   22.739 6.356842 31.30144 
1 1 1  -11    1   30 o  111.948   22.984   17.750   6.4418   16.534   9.1579   18.942   9.0629  105.735   31.258  113.064   30.321 -7.328529 43.54813 
1 1 1  -11    1   31 o  195.560   15.170   51.295   7.6241   34.928   10.649   68.509   10.921  155.045   27.523  224.087   18.993 -69.04225 33.44001 
1 1 1  -11    1   32 o  346.302   11.705  158.453   10.500  148.904   14.832  168.046   14.866  331.428   17.337  353.416   16.239 -21.98749 23.75405 
1 1 1  -11    1   33 o  111.293   24.558   18.176   6.8898   15.715   10.369   20.122   9.2196  100.790   33.746  114.088   30.576 -13.29778 45.53794 
1 1 1  -11    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    1   35 o  127.124   23.235   23.638   7.3691   28.277   10.808   19.609   10.074  133.099   31.786  109.874   32.854 23.22443 45.71377 
1 1 1  -11    1   36 o  132.925   21.544   25.598   7.1642   28.855   10.907   23.127   9.5015  133.262   32.000  120.051   30.495 13.21097 44.20325 
1 1 1  -11    1   37 o   87.788   28.961   12.170   7.6444   20.491   10.829   3.9047   10.793  108.875   34.351   72.631   31.373 36.24384 46.52145 
1 1 1  -11    1   38 o  117.484   26.404   21.761   7.8396   20.440   10.655   23.321   11.576  107.258   34.098  113.253   35.484 -5.994125 49.21182 
1 1 1  -11    1   39 o  129.068   25.979   26.429   8.3848   27.005   12.321   25.932   11.443  118.723   36.512  118.212   34.939 0.5106659 50.53586 
1 1 1  -11    1   40 o   64.044   27.889   3.0885   8.6681   5.8531   12.521   0.5442   12.012   74.538   32.950   66.916   30.663 7.622551 45.01070 
1 1 1  -11    1   41 o   66.203   28.340   4.7440   8.6578   1.5195   12.071   8.1597   12.424   67.111   30.748   76.352   33.315 -9.241348 45.33549 
1 1 1  -11    1   42 o  101.717   29.527   18.856   8.2383   9.1437   11.497   29.107   11.811   75.845   32.568  118.739   35.590 -42.89390 48.24199 
1 1 1  -11    1   43 o   57.552   28.114 -10.2035   13.820  -9.9630   19.843 -10.4300   19.258   66.065   32.556   65.184   32.112 0.8810577 45.72823 
1 1 1  -11    1   44 o  115.837   30.679   26.239   9.3515   29.740   13.528   23.034   12.941  107.148   38.397   95.006   36.828 12.14206 53.20371 
1 1 1  -11    2    1 o  255.785   8.4707   84.808   5.6123   81.081   7.8657   88.673   8.0104  249.992   12.147  261.444   11.828 -11.45264 16.95445 
1 1 1  -11    2    2 o  209.351   8.9905   56.817   4.8754   54.486   6.7843   59.307   7.0110  204.507   12.873  213.407   12.741 -8.900436 18.11194 
1 1 1  -11    2    3 o  181.364   10.150   42.787   4.7493   42.170   6.6166   43.442   6.8212  179.655   14.338  182.337   14.564 -2.682007 20.43699 
1 1 1  -11    2    4 o  309.876   11.750  124.572   9.4311  126.700   12.865  122.100   13.866  311.886   15.979  305.973   17.569 5.913239 23.74814 
1 1 1  -11    2    5 o  321.474   12.643  134.112   10.528   0.0000   0.0000  134.112   10.528  ?   ?   321.474   12.643 0.000000 12.64281 
1 1 1  -11    2    6 o  637.766   13.675  528.044   22.590  531.300   32.781  525.100   31.175  638.902   19.808  635.297   18.944 3.604858 27.40876 
1 1 1  -11    2    7 o  184.493   10.970   44.309   5.2189   44.886   7.1588   43.654   7.6244  185.284   15.046  182.557   16.295 2.726456 22.17882 
1 1 1  -11    2    8 o  653.638   9.6749  554.044   16.381  569.715   23.590  539.452   22.763  662.391   13.749  644.572   13.634 17.81940 19.36267 
1 1 1  -11    2    9 o  960.173   11.453  1196.25   28.484  1195.49   40.339  1197.00   40.228  958.977   16.239  959.593   16.184 -0.6155396 22.92672 
1 1 1  -11    2   10 o  729.060   14.279  690.477   26.965   0.0000   0.0000  690.477   26.965  ?   ?   729.060   14.279 0.000000 14.27885 
1 1 1  -11    2   11 o  671.293   13.967  585.404   24.287   0.0000   0.0000  585.404   24.287  ?   ?   671.293   13.967 0.000000 13.96728 
1 1 1  -11    2   12 o  535.189   9.5270  371.519   13.207  360.921   18.492  382.554   18.870  527.100   13.544  542.682   13.424 -15.58112 19.06905 
1 1 1  -11    2   13 o  339.916   9.9460  149.904   8.7573  146.937   12.400  152.857   12.369  336.231   14.238  342.964   13.923 -6.732666 19.91411 
1 1 1  -11    2   14 o  337.784   9.8884  148.045   8.6520  156.496   12.567  140.429   11.930  346.974   13.982  328.678   14.012 18.29657 19.79509 
1 1 1  -11    2   15 f  573.691   13.707  427.879   20.370  390.300   27.297  475.100   30.599  546.912   19.268  603.334   19.580 -56.42236 27.47064 
1 1 1  -11    2   16 o  501.776   13.901  327.470   18.067  370.100   27.724  296.000   23.820  532.213   20.110  476.124   19.314 56.08942 27.88292 
1 1 1  -11    2   17 o  162.468   15.220   34.673   6.3304   34.584   8.9273   34.764   8.9780  161.044   21.974  161.455   22.043 -0.4112244 31.12507 
1 1 1  -11    2   18 o  169.183   15.130   37.589   6.5606   35.492   9.2232   39.737   9.3340  162.985   22.442  172.864   21.296 -9.879654 30.93768 
1 1 1  -11    2   19 o  284.384   11.077  105.129   8.1597   96.633   11.437  113.935   11.645  271.590   16.333  295.181   15.282 -23.59125 22.36784 
1 1 1  -11    2   20 o  208.022   13.219   56.601   7.0858   45.185   10.077   67.766   9.9656  184.146   21.533  226.998   17.074 -42.85161 27.48021 
1 1 1  -11    2   21 f  429.954   10.223  240.403   11.386  235.616   16.133  245.153   16.071  424.737   14.664  433.333   14.318 -8.595276 20.49469 
1 1 1  -11    2   22 o  299.892   11.372  117.164   8.8338  109.289   12.657  124.644   12.335  288.109   17.036  308.168   15.502 -20.05927 23.03316 
1 1 1  -11    2   23 o  509.948   10.239  338.651   13.525  346.777   19.369  330.918   18.895  514.606   14.530  502.708   14.511 11.89771 20.53516 
1 1 1  -11    2   24 o  276.699   11.894  100.000   8.5245  108.568   12.364   92.237   11.769  286.672   16.722  263.971   17.308 22.70114 24.06684 
1 1 1  -11    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    2   26 f  248.714   12.783   81.301   8.2079   65.999   11.663   96.314   11.553  221.402   20.572  269.443   16.634 -48.04086 26.45592 
1 1 1  -11    2   27 o  206.199   14.585   56.297   7.7400   57.829   11.136   54.866   10.765  206.590   21.106  201.241   20.960 5.349518 29.74515 
1 1 1  -11    2   28 o   97.068   24.603   13.356   6.1940   15.200   9.3367   11.907   8.2779  102.938   31.805   92.614   30.117 10.32388 43.80136 
1 1 1  -11    2   29 o  159.277   17.043   34.185   6.9222   32.107   9.6233   36.413   9.9647  150.788   25.551  161.217   24.645 -10.42883 35.49908 
1 1 1  -11    2   30 o  170.102   15.679   38.841   6.8306   41.498   9.6204   36.139   9.6999  173.081   21.952  160.307   24.106 12.77350 32.60308 
1 1 1  -11    2   31 o  166.270   16.694   37.450   7.0927   42.441   10.478   33.228   9.6358  173.302   23.985  152.329   25.309 20.97334 34.86822 
1 1 1  -11    2   32 o  207.520   15.360   58.011   8.1979   59.105   11.664   56.943   11.525  205.235   22.298  201.284   22.489 3.951004 31.66948 
1 1 1  -11    2   33 o  163.960   17.901   37.018   7.4792   40.389   10.982   34.103   10.214  165.908   26.442  151.879   26.949 14.02930 37.75516 
1 1 1  -11    2   34 o   55.614   27.015 -16.2300   12.269 -16.2300   12.269   0.0000   0.0000   55.614   27.015  ?   ?  0.000000 27.01478 
1 1 1  -11    2   35 o   47.159   21.808  -3.8145   6.2747  -6.6651   8.5774  -0.5328   9.2031   52.338   24.626   62.869   27.996 -10.53106 37.28581 
1 1 1  -11    2   36 o  145.294   20.670   30.280   7.5598   34.330   9.8154   24.374   11.853  150.810   26.069  119.012   35.649 31.79805 44.16385 
1 1 1  -11    2   37 o  125.459   25.605   24.133   8.0393   26.794   10.717   20.709   12.156  126.365   32.545  107.718   36.537 18.64616 48.92999 
1 1 1  -11    2   38 o  151.674   20.992   33.721   8.0262   35.631   11.152   31.667   11.561  147.331   30.234  135.421   33.211 11.91029 44.91178 
1 1 1  -11    2   39 o   83.217   29.028   11.397   7.6898  -2.6156   10.095   30.765   11.869   59.782   27.652  129.667   34.668 -69.88511 44.34481 
1 1 1  -11    2   40 o  208.568   16.739   61.918   8.9672   59.033   12.232   65.270   13.184  193.554   24.981  202.563   25.706 -9.008499 35.84454 
1 1 1  -11    2   41 o  205.751   17.558   61.329   9.2682   65.242   13.153   57.470   13.062  200.538   25.927  185.023   28.142 15.51520 38.26468 
1 1 1  -11    2   42 o   58.511   27.070  -1.0120   9.6826   12.900   15.983  -9.0781   12.170   82.487   36.801   56.014   27.138 26.47329 45.72549 
1 1 1  -11    2   43 o   58.968   28.215  -4.5051   12.222   0.7769   15.727 -12.5600   19.421   68.399   32.526   64.158   31.727 4.241035 45.43706 
1 1 1  -11    2   44 o   75.926   28.741   10.985   7.7563   10.826   9.6072   11.283   13.145   74.732   30.773   75.418   33.529 -0.6854401 45.51008 
1 1 1  -11    3    1 o  451.408   8.4954  264.140   9.9335  254.345   13.953  274.206   14.145  442.759   12.166  459.740   11.878 -16.98120 17.00298 
1 1 1  -11    3    2 o  518.888   12.370  349.353   16.626   0.0000   0.0000  349.353   16.626  ?   ?   518.888   12.370 0.000000 12.37021 
1 1 1  -11    3    3 o  447.678   11.760  260.004   13.637  237.800   18.473  286.600   20.217  427.773   16.671  469.624   16.619 -41.85083 23.54018 
1 1 1  -11    3    4 o  223.610   10.887   64.854   6.3060   65.929   7.8581   62.910   10.568  224.959   13.549  219.120   18.802 5.839493 23.17497 
1 1 1  -11    3    5 o  392.308   8.7924  199.526   8.9348  194.881   12.644  204.158   12.628  387.517   12.596  396.652   12.290 -9.134888 17.59867 
1 1 1  -11    3    6 o  405.355   17.982  213.700   18.881   0.0000   0.0000  213.700   18.881  ?   ?   405.355   17.982 0.000000 17.98206 
1 1 1  -11    3    7 o  305.832   9.2345  121.277   7.3155  117.517   10.268  125.154   10.425  300.876   13.175  310.510   12.961 -9.633636 18.48199 
1 1 1  -11    3    8 o  319.621   13.204  132.629   10.932   0.0000   0.0000  132.629   10.932  ?   ?   319.621   13.204 0.000000 13.20365 
1 1 1  -11    3    9 o  376.365   9.2631  183.686   9.0306  178.210   12.770  189.163   12.772  370.470   13.307  381.713   12.918 -11.24268 18.54576 
1 1 1  -11    3   10 o  204.821   11.064   54.592   5.8481   44.891   8.0309   65.544   8.5330  185.009   16.946  224.109   14.782 -39.10051 22.48746 
1 1 1  -11    3   11 o  390.969   9.4729  198.254   9.5934  198.467   13.588  198.042   13.546  390.899   13.420  390.483   13.392 0.4167786 18.95925 
1 1 1  -11    3   12 o  416.829   9.5098  225.370   10.268  221.935   14.454  228.869   14.589  413.323   13.500  419.738   13.419 -6.415405 19.03438 
1 1 1  -11    3   13 o  406.777   9.5494  214.655   10.062  211.977   14.269  217.303   14.191  403.890   13.639  408.957   13.396 -5.066467 19.11740 
1 1 1  -11    3   14 o  532.977   10.998  368.760   15.184  361.800   25.543  372.564   18.883  526.768   18.720  535.389   13.616 -8.621094 23.14797 
1 1 1  -11    3   15 o  352.708   11.546  161.565   10.549  156.447   12.899  171.900   18.331  346.817   14.358  362.361   19.602 -15.54465 24.29808 
1 1 1  -11    3   16 o  505.970   14.144  333.055   18.537  368.400   27.950  305.300   24.768  530.877   20.325  483.397   19.781 47.48093 28.36183 
1 1 1  -11    3   17 o  563.802   9.9309  412.695   14.503  405.555   20.343  420.075   20.682  558.221   14.069  568.130   14.054 -9.908325 19.88593 
1 1 1  -11    3   18 o  455.743   13.953  270.438   16.471   0.0000   0.0000  270.438   16.471  ?   ?   455.743   13.953 0.000000 13.95281 
1 1 1  -11    3   19 o  460.099   9.8964  274.997   11.794  286.399   17.051  264.538   16.332  468.828   14.041  450.589   13.993 18.23892 19.82277 
1 1 1  -11    3   20 o  198.206   13.623   51.448   6.9516   48.918   10.054   53.765   9.6217  191.887   20.548  201.699   18.627 -9.811722 27.73389 
1 1 1  -11    3   21 o  487.010   10.074  308.443   12.708  325.824   18.610  293.257   17.395  499.485   14.384  473.924   14.170 25.56125 20.19141 
1 1 1  -11    3   22 o  597.776   10.329  465.117   15.994  488.800   23.316  444.069   21.981  611.239   14.726  582.664   14.564 28.57483 20.71176 
1 1 1  -11    3   23 o  304.661   11.421  121.059   9.0134  118.481   12.883  123.531   12.615  299.782   16.656  306.342   15.953 -6.560364 23.06326 
1 1 1  -11    3   24 o  431.536   11.804  243.247   13.194  240.400   22.042  244.838   16.471  425.647   19.992  431.929   14.722 -6.281555 24.82748 
1 1 1  -11    3   25 o  288.997   29.270  115.500   21.609  115.500   21.609   0.0000   0.0000  288.997   29.270  ?   ?  0.000000 29.26958 
1 1 1  -11    3   26 o  346.741   11.094  157.174   9.9646  164.545   14.427  150.450   13.779  353.108   15.773  337.654   15.754 15.45386 22.29357 
1 1 1  -11    3   27 o  164.590   17.279   36.327   7.2568   36.701   10.408   35.973   10.124  162.279   25.609  160.842   25.120 1.436783 35.87258 
1 1 1  -11    3   28 o  109.093   23.521   16.763   6.4511   30.024   9.5374   5.5790   8.7589  145.813   26.215   76.485   30.109 69.32788 39.92251 
1 1 1  -11    3   29 o  307.129   11.282  123.801   8.9757  119.209   12.603  128.527   12.786  298.817   16.345  310.526   15.949 -11.70926 22.83709 
1 1 1  -11    3   30 o  191.843   14.200   49.052   7.0064   60.613   10.659   40.257   9.2970  210.715   19.760  170.563   21.522 40.15170 29.21710 
1 1 1  -11    3   31 o  223.171   14.163   66.491   8.1452   69.755   11.706   63.428   11.340  225.155   20.290  214.392   20.677 10.76224 28.96925 
1 1 1  -11    3   32 o  175.699   16.966   42.053   7.6252   36.186   11.043   47.400   10.542  156.294   28.320  183.237   22.695 -26.94345 36.29197 
1 1 1  -11    3   33 f  177.022   17.351   42.976   7.8539   53.910   11.026   31.714   11.190  195.160   22.207  143.361   31.033 51.79884 38.16018 
1 1 1  -11    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    3   35 o  179.434   17.860   44.702   8.1909   38.908   11.378   50.935   11.801  159.394   28.609  185.866   25.158 -26.47142 38.09704 
1 1 1  -11    3   36 o   46.131   21.829  -6.2609   6.9154 -11.3374   9.0913   0.7098   10.653   48.862   23.620   67.997   30.209 -19.13519 38.34740 
1 1 1  -11    3   37 o  175.574   18.126   43.463   8.1249   35.579   11.565   51.147   11.417  147.554   31.231  184.794   24.453 -37.23936 39.66519 
1 1 1  -11    3   38 o   69.299   27.901   5.8326   7.6901   7.2320   11.108   4.5446   10.657   77.351   32.562   72.107   31.161 5.244171 45.06992 
1 1 1  -11    3   39 o   62.608   26.740   3.1546   7.6764   1.5163   11.344   4.5382   10.426   67.752   30.552   70.536   30.651 -2.784668 43.27742 
1 1 1  -11    3   40 o   86.062   30.820   13.062   8.7148   16.724   12.218   9.2702   12.434   92.446   35.799   79.152   33.925 13.29440 49.31998 
1 1 1  -11    3   41 o  109.919   29.780   21.593   8.6894   8.4911   11.636   38.112   13.066   75.908   32.682  138.679   36.042 -62.77147 48.65305 
1 1 1  -11    3   42 o   88.798   31.862   15.346   9.3181   25.160   14.270   8.0503   12.303  102.115   38.905   74.396   32.786 27.71929 50.87752 
1 1 1  -11    3   43 o   61.758   28.538   0.9411   10.715   14.430   20.631  -4.0407   12.538   81.554   38.315   59.772   28.594 21.78199 47.80859 
1 1 1  -11    3   44 o   52.395   24.487  -1.6601   8.2395   3.1537   12.825  -5.0431   10.752   65.432   30.570   54.324   26.116 11.10810 40.20656 
1 1 1  -11    4    1 o  316.065   11.952  129.609   9.7851   0.0000   0.0000  129.609   9.7851  ?   ?   316.065   11.952 0.000000 11.95189 
1 1 1  -11    4    2 o  513.148   11.958  341.645   15.895  319.500   21.736  367.100   23.304  495.799   16.925  531.449   16.929 -35.65051 23.93789 
1 1 1  -11    4    3 f  386.614   12.086  193.941   12.104   0.0000   0.0000  193.941   12.104  ?   ?   386.614   12.086 0.000000 12.08639 
1 1 1  -11    4    4 o  541.393   9.0820  380.016   12.736  378.171   18.123  381.816   17.903  539.784   12.962  542.398   12.743 -2.614075 18.17624 
1 1 1  -11    4    5 o  832.801   10.547  899.560   22.753  898.177   32.230  900.935   32.126  831.552   14.963  832.840   14.892 -1.287109 21.11039 
1 1 1  -11    4    6 o  659.346   14.043  564.530   23.983  585.800   35.048  545.800   32.890  670.717   20.173  647.510   19.609 23.20770 28.13339 
1 1 1  -11    4    7 o  463.630   12.810  279.025   15.384   0.0000   0.0000  279.025   15.384  ?   ?   463.630   12.810 0.000000 12.80966 
1 1 1  -11    4    8 o  794.686   10.427  819.190   21.463  826.757   30.673  811.930   30.045  797.714   14.844  790.557   14.672 7.156921 20.87125 
1 1 1  -11    4    9 o  672.894   13.875  588.102   24.183   0.0000   0.0000  588.102   24.183  ?   ?   672.894   13.875 0.000000 13.87463 
1 1 1  -11    4   10 o  441.188   9.1950  252.428   10.508  255.526   15.094  249.515   14.638  443.584   13.136  438.356   12.892 5.227356 18.40536 
1 1 1  -11    4   11 o  362.589   9.5551  170.529   8.9743  165.333   12.653  175.790   12.731  356.742   13.692  367.878   13.360 -11.13513 19.13024 
1 1 1  -11    4   12 o  414.875   9.5099  223.272   10.220  223.309   14.511  223.236   14.396  414.579   13.512  414.521   13.407 0.5786133E-01 19.03530 
1 1 1  -11    4   13 o  590.025   9.7522  451.672   14.905  450.364   21.201  452.951   20.958  588.637   13.905  590.355   13.705 -1.717957 19.52366 
1 1 1  -11    4   14 o  288.461   13.771  108.174   10.290   79.200   13.674  146.000   15.624  245.202   21.755  334.183   18.117 -88.98027 28.31111 
1 1 1  -11    4   15 o  735.468   10.435  702.194   19.880  704.121   28.191  700.287   28.039  735.615   14.795  733.619   14.755 1.995972 20.89485 
1 1 1  -11    4   16 o  340.411   15.772  150.950   13.907  150.400   20.736  151.400   18.749  337.735   23.856  339.440   21.434 -1.704956 32.07113 
1 1 1  -11    4   17 o  399.647   9.9942  207.386   10.346  197.530   14.452  217.746   14.818  389.512   14.324  409.009   13.986 -19.49625 20.01960 
1 1 1  -11    4   18 o  521.013   9.8969  352.555   13.357  354.983   19.043  350.204   18.739  522.061   14.082  518.562   13.950 3.499084 19.82233 
1 1 1  -11    4   19 o  396.817   10.146  204.610   10.429  194.559   14.604  215.070   14.898  386.270   14.596  406.202   14.159 -19.93253 20.33508 
1 1 1  -11    4   20 o  453.312   10.050  267.122   11.801  250.602   16.534  284.275   16.849  438.188   14.567  466.852   13.933 -28.66391 20.15756 
1 1 1  -11    4   21 o  367.499   10.515  175.731   10.009  174.913   14.250  176.529   14.062  365.755   15.041  367.503   14.772 -1.747375 21.08181 
1 1 1  -11    4   22 o  235.161   12.632   72.383   7.6667   72.088   10.612   72.705   11.088  233.516   17.675  234.314   18.418 -0.7985992 25.52674 
1 1 1  -11    4   23 o  278.166   11.718  100.982   8.4435  103.734   12.041   98.320   11.844  280.375   16.654  272.878   16.838 7.496857 23.68287 
1 1 1  -11    4   24 o  190.520   19.220   48.561   9.3557   47.080   12.080   50.780   14.789  185.215   25.887  190.255   31.083 -5.040833 40.45060 
1 1 1  -11    4   25 o  267.370   19.326   95.490   13.295  125.300   22.597   79.710   16.441  300.799   29.377  240.760   26.819 60.03853 39.77794 
1 1 1  -11    4   26 o  118.221   21.826   19.305   6.4375   20.086   8.6874   18.355   9.5869  118.585   28.611  112.904   31.556 5.681068 42.59576 
1 1 1  -11    4   27 o  443.883   10.581  257.651   12.166  255.455   17.273  259.814   17.139  439.776   15.163  443.654   14.914 -3.877197 21.26812 
1 1 1  -11    4   28 o  271.207   11.954   96.572   8.3981  100.862   11.693   91.999   12.070  275.039   16.488  261.966   17.894 13.07303 24.33250 
1 1 1  -11    4   29 f  194.521   14.406   50.357   7.2071   45.856   9.9435   55.339   10.461  182.642   21.425  201.382   20.332 -18.74002 29.53686 
1 1 1  -11    4   30 o   96.873   24.473   13.517   6.1430   21.136   9.0971   7.1312   8.3287  119.363   29.574   78.287   29.747 41.07617 41.94667 
1 1 1  -11    4   31 o  118.534   23.762   20.175   7.0417   35.850   10.118   5.4524   9.8061  157.882   25.619   77.094   31.341 80.78773 40.47963 
1 1 1  -11    4   32 o  125.249   21.870   22.312   6.8371   22.895   10.101   21.820   9.2882  121.551   31.738  119.551   30.033 2.000153 43.69533 
1 1 1  -11    4   33 o  106.310   28.289   17.232   7.9267   18.730   12.290   16.165   10.372  107.642   36.736  101.546   33.746 6.095695 49.88319 
1 1 1  -11    4   34 o   95.919   40.545   11.440   17.336   11.440   17.336   0.0000   0.0000   95.919   40.545  ?   ?  0.000000 40.54462 
1 1 1  -11    4   35 o  110.222   27.380   18.743   7.7820   19.824   11.461   17.818   10.600  108.589   35.444  104.015   34.093 4.574196 49.17879 
1 1 1  -11    4   36 o  173.715   18.090   42.295   8.0204   32.110   12.298   49.833   10.580  137.792   34.526  184.995   22.545 -47.20251 41.23497 
1 1 1  -11    4   37 o  138.075   23.217   28.461   8.0089   30.997   11.245   25.851   11.409  135.942   32.394  121.498   34.591 14.44357 47.39096 
1 1 1  -11    4   38 o  264.746   13.773   95.825   9.4125  109.306   13.498   83.065   13.132  276.427   18.966  237.600   21.572 38.82695 28.72393 
1 1 1  -11    4   39 o  196.258   17.056   54.731   8.5845   47.581   11.276   64.588   13.240  173.557   25.872  202.475   25.833 -28.91815 36.56098 
1 1 1  -11    4   40 f   88.678   29.671   13.847   8.0158   16.904   10.995   10.377   11.711   93.428   34.450   80.193   33.579 13.23527 48.10794 
1 1 1  -11    4   41 o   62.402   28.760  -0.1260   10.777  -0.1260   10.777   0.0000   0.0000   62.402   28.760  ?   ?  0.000000 28.76047 
1 1 1  -11    4   42 o  112.131   37.472   28.293   12.784   37.820   17.024   15.970   19.360  118.340   42.983   85.139   38.982 33.20139 58.02729 
1 1 1  -11    4   43 o   52.745   25.313  -5.9089   10.002 -12.4400   18.215  -3.0899   11.967   62.262   30.777   59.413   28.287 2.849087 41.80163 
1 1 1  -11    4   44 o  107.541   29.382   22.437   8.4172   13.911   10.779   35.763   13.475   79.463   32.644  119.241   38.393 -39.77737 50.39494 
1 1 1  -11    5    1 o  658.935   9.5372  563.004   16.279  634.100   36.208  544.994   18.224  697.920   20.028  648.198   10.854 49.72119 22.78046 
1 1 1  -11    5    2 o  888.176   12.621  1023.79   29.037  1020.00   51.305  1025.57   35.220  884.587   22.391  888.522   15.303 -3.934875 27.12039 
1 1 1  -11    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    5    4 o  444.253   8.8799  255.879   10.219  261.646   14.690  250.471   14.224  448.992   12.631  439.309   12.500 9.683289 17.77001 
1 1 1  -11    5    5 o  324.630   9.0074  136.639   7.5743  125.155   10.594  148.650   10.834  310.495   13.172  338.434   12.358 -27.93832 18.06141 
1 1 1  -11    5    6 o  153.378   22.694   31.336   8.7439   41.900   14.091   24.720   11.151  175.974   32.095  134.531   32.387 41.44257 45.59615 
1 1 1  -11    5    7 o  700.346   9.9388  636.150   18.030  628.318   25.463  644.026   25.534  695.519   14.133  704.179   13.999 -8.659485 19.89259 
1 1 1  -11    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    5    9 o   95.714   19.910   12.378   4.7755   12.048   6.7688   12.705   6.7383   94.624   26.540   96.924   26.209 -2.299446 37.30043 
1 1 1  -11    5   10 o  430.104   9.3488  239.929   10.415  253.110   14.976  227.582   14.495  441.460   13.097  418.582   13.368 22.87766 18.71480 
1 1 1  -11    5   11 o  424.772   9.3035  234.031   10.237  232.465   14.675  235.515   14.286  423.015   13.393  425.822   12.952 -2.807465 18.63117 
1 1 1  -11    5   12 o  245.683   10.774   78.339   6.8567   74.970   9.8167   81.549   9.5812  239.525   15.913  249.993   14.863 -10.46768 21.77426 
1 1 1  -11    5   13 o  462.067   10.641  277.127   12.736  233.800   20.352  305.016   16.329  423.471   18.554  484.499   13.011 -61.02798 22.66116 
1 1 1  -11    5   14 o  479.204   18.411  299.500   22.853   0.0000   0.0000  299.500   22.853  ?   ?   479.204   18.411 0.000000 18.41059 
1 1 1  -11    5   15 o  624.245   10.028  505.829   16.214  511.614   23.236  500.338   22.637  627.079   14.305  620.172   14.091 6.907104 20.07982 
1 1 1  -11    5   16 o  572.195   11.640  425.441   17.252  410.900   31.405  431.726   20.646  560.072   21.648  576.015   13.838 -15.94324 25.69239 
1 1 1  -11    5   17 o  264.078   11.414   90.636   7.8078  101.107   11.240   80.873   10.854  278.054   15.670  248.360   16.973 29.69356 23.10053 
1 1 1  -11    5   18 o  165.611   14.711   36.028   6.2450   30.249   8.6686   42.264   9.0044  149.985   23.050  178.543   19.803 -28.55804 30.38900 
1 1 1  -11    5   19 o  293.363   10.736  111.896   8.1580  110.848   11.676  112.896   11.403  290.963   15.549  293.748   15.036 -2.785675 21.62999 
1 1 1  -11    5   20 o  191.741   13.679   48.196   6.7493   38.808   9.7245   56.922   9.3749  170.028   22.643  207.693   17.591 -37.66518 28.67314 
1 1 1  -11    5   21 o  320.062   15.337  134.062   12.715   0.0000   0.0000  134.062   12.715  ?   ?   320.062   15.337 0.000000 15.33687 
1 1 1  -11    5   22 o  322.098   11.178  135.226   9.3261  132.773   13.295  137.603   13.086  317.657   16.211  323.945   15.595 -6.288483 22.49463 
1 1 1  -11    5   23 o  373.264   10.776  181.672   10.419  165.415   14.756  197.833   14.713  354.717   16.060  388.414   14.623 -33.69754 21.71995 
1 1 1  -11    5   24 o  352.045   14.236  162.666   12.982  163.800   18.233  161.500   18.488  350.411   20.173  347.711   20.619 2.700409 28.84598 
1 1 1  -11    5   25 o  286.984   18.540  109.778   13.708  123.000   23.007  102.500   17.069  297.076   30.323  274.522   24.254 22.55392 38.82940 
1 1 1  -11    5   26 o  245.081   12.791   79.026   8.0921   83.228   11.581   75.017   11.312  249.645   18.030  236.716   18.599 12.92851 25.90320 
1 1 1  -11    5   27 o  202.202   14.624   54.227   7.6078   49.714   10.833   58.618   10.686  190.586   22.370  208.179   20.065 -17.59254 30.05027 
1 1 1  -11    5   28 o  210.012   14.083   58.495   7.6167   55.524   10.796   61.439   10.748  201.745   20.965  212.921   19.711 -11.17572 28.77552 
1 1 1  -11    5   29 o  144.531   18.887   28.544   6.9019   28.801   9.7005   28.282   9.8221  141.347   27.484  139.728   28.111 1.619080 39.31448 
1 1 1  -11    5   30 o  249.042   13.199   82.313   8.4843   81.157   12.242   83.381   11.769  243.826   19.548  247.839   18.465 -4.013809 26.88999 
1 1 1  -11    5   31 o  184.208   16.452   45.965   7.7673   46.085   10.799   45.836   11.181  180.376   23.685  179.205   24.747 1.170349 34.25423 
1 1 1  -11    5   32 o  181.989   16.638   45.112   7.7563   31.124   10.666   60.813   11.300  143.365   29.697  208.471   21.222 -65.10626 36.50066 
1 1 1  -11    5   33 o   61.888   26.376   1.6748   7.4399  -1.9650   11.230   4.5220   9.9323   67.148   30.328   74.149   30.975 -7.001961 43.35034 
1 1 1  -11    5   34 o   68.247   30.422  -0.1632   10.897   33.700   18.046 -19.6000   13.672  133.364   44.520   56.911   27.835 76.45301 52.50517 
1 1 1  -11    5   35 o   59.066   25.524   1.0817   7.1490   6.3545   10.584  -3.3426   9.6950   77.636   32.165   59.998   27.513 17.63774 42.32676 
1 1 1  -11    5   36 o  257.611   14.179   90.167   9.4251  107.799   13.425   73.032   13.235  276.913   18.829  223.216   23.231 53.69640 29.90272 
1 1 1  -11    5   37 o  200.775   16.608   56.201   8.5596   64.743   12.584   48.846   11.677  208.225   23.757  178.381   26.038 29.84476 35.24768 
1 1 1  -11    5   38 o  229.629   15.774   73.467   9.3255   95.801   13.942   55.384   12.545  255.233   21.282  187.840   26.520 67.39355 34.00370 
1 1 1  -11    5   39 o   98.459   29.481   16.758   8.1076   5.2189   11.669   27.527   11.273   72.948   32.046  121.512   34.310 -48.56434 46.94768 
1 1 1  -11    5   40 o   55.736   25.402  -0.8506   8.0983  -3.9963   11.115   2.7091   11.824   59.357   27.960   68.511   31.015 -9.153442 41.75790 
1 1 1  -11    5   41 o   83.872   29.673   12.715   8.0546   16.022   10.608   8.2143   12.377   89.708   33.688   75.431   33.073 14.27741 47.20922 
1 1 1  -11    5   42 o  103.884   36.178   24.030   11.942   21.350   15.215   28.330   19.274   92.854   38.525   97.832   42.093 -4.978714 57.06116 
1 1 1  -11    5   43 o  105.491   34.008   24.045   10.570   0.1238   21.095   32.065   12.215   71.188   34.767  119.636   36.268 -48.44841 50.24047 
1 1 1  -11    5   44 o   71.577   29.621   9.7515   8.9611   9.2626   13.094   10.182   12.290   71.525   32.483   72.515   32.317 -0.9904709 45.82065 
1 1 1  -11    6    1 o  415.231   10.377  223.629   11.161  206.200   20.636  230.835   13.269  397.430   20.111  421.755   12.146 -24.32452 23.49383 
1 1 1  -11    6    2 o  330.486   9.0597  141.615   7.7556  134.500   17.697  143.306   8.6283  320.557   21.436  332.413   10.021 -11.85611 23.66299 
1 1 1  -11    6    3 o  469.112   9.0742  285.340   11.026  315.000   24.633  277.908   12.331  491.912   19.332  462.889   10.284 29.02304 21.89754 
1 1 1  -11    6    4 o  231.152   9.5727   69.290   5.7316   78.186   8.4746   61.789   7.7812  245.031   13.403  217.692   13.871 27.33850 19.28878 
1 1 1  -11    6    5 o  222.213   14.034   64.385   8.0364   0.0000   0.0000   64.385   8.0364  ?   ?   222.213   14.034 0.000000 14.03395 
1 1 1  -11    6    6 o  286.267   15.650  106.830   11.561  112.800   17.189  101.900   15.622  293.138   22.818  278.694   21.814 14.44379 31.56714 
1 1 1  -11    6    7 o  600.841   9.5179  468.199   14.813  465.171   21.155  471.112   20.749  598.465   13.646  602.317   13.299 -3.851990 19.05510 
1 1 1  -11    6    8 o  673.498   9.8770  588.373   17.231  582.450   24.546  594.128   24.195  669.564   14.153  676.294   13.811 -6.729431 19.77500 
1 1 1  -11    6    9 o  278.387   10.030  100.538   7.2326   93.340   10.428  107.209   10.039  267.538   15.110  287.285   13.491 -19.74680 20.25632 
1 1 1  -11    6   10 f  242.982   10.627   76.613   6.6887   73.730   9.6007   79.333   9.3238  237.585   15.689  246.611   14.662 -9.026627 21.47331 
1 1 1  -11    6   11 o  201.156   11.649   52.709   6.0435   49.488   8.6169   55.828   8.4785  194.194   17.312  206.536   15.972 -12.34198 23.55439 
1 1 1  -11    6   12 o  593.297   9.7495  456.721   14.983  447.541   21.296  465.719   21.085  586.740   14.012  598.602   13.598 -11.86200 19.52541 
1 1 1  -11    6   13 o  229.876   14.432   68.996   8.5499   68.400   11.661   69.690   12.574  228.040   19.941  229.943   21.354 -1.902084 29.21719 
1 1 1  -11    6   14 o  614.653   13.895  491.365   22.123   0.0000   0.0000  491.365   22.123  ?   ?   614.653   13.895 0.000000 13.89519 
1 1 1  -11    6   15 o  343.251   12.037  153.118   10.702  152.234   12.975  155.000   18.929  341.979   14.647  343.454   21.383 -1.474762 25.91862 
1 1 1  -11    6   16 o  468.868   11.571  285.705   14.053  316.100   27.574  275.039   16.334  491.065   21.677  459.713   13.717 31.35141 25.65264 
1 1 1  -11    6   17 o  576.354   13.958  432.614   20.838   0.0000   0.0000  432.614   20.838  ?   ?   576.354   13.958 0.000000 13.95786 
1 1 1  -11    6   18 o  298.436   10.942  115.791   8.4588  108.577   11.937  123.068   11.989  287.923   16.069  307.150   15.069 -19.22778 22.02902 
1 1 1  -11    6   19 o  200.101   13.541   52.434   6.9775   48.046   9.8325   56.886   9.9033  190.176   20.272  207.484   18.625 -17.30785 27.52911 
1 1 1  -11    6   20 o  426.068   10.236  236.129   11.296  247.338   16.312  225.798   15.660  435.130   14.472  415.735   14.542 19.39514 20.51580 
1 1 1  -11    6   21 o  278.010   11.635  100.744   8.3789   96.318   11.926  105.060   11.775  270.314   17.121  282.625   16.151 -12.31140 23.53652 
1 1 1  -11    6   22 o  365.418   10.696  174.016   10.124  176.279   14.634  171.939   14.020  366.571   15.412  362.168   14.945 4.403564 21.46823 
1 1 1  -11    6   23 o   91.417   26.146   11.575   6.5031   24.020   9.8408   1.9273   8.6647  130.279   29.807   69.294   28.938 60.98467 41.54342 
1 1 1  -11    6   24 o  274.861   13.687   99.116   9.7451   96.385   12.214  103.900   16.164  269.387   17.601  277.506   22.685 -8.119659 28.71275 
1 1 1  -11    6   25 f  160.531   30.581   36.713   12.252   18.850   19.915   47.590   15.541  120.809   45.976  181.374   34.336 -60.56523 57.38237 
1 1 1  -11    6   26 o  452.977   10.456  268.192   12.268  263.309   17.562  272.846   17.145  446.588   15.181  454.956   14.549 -8.368378 21.02701 
1 1 1  -11    6   27 o  206.766   14.308   56.677   7.6158   45.573   10.798   67.668   10.743  181.710   23.492  224.272   18.662 -42.56264 30.00198 
1 1 1  -11    6   28 f  109.040   23.996   16.878   6.5937   6.3521   9.2642   27.684   9.3868   79.096   31.020  139.081   27.029 -59.98513 41.14423 
1 1 1  -11    6   29 o  121.857   22.160   20.857   6.7370   22.521   9.6497   19.274   9.4101  123.143   30.428  113.715   31.066 9.427696 43.48525 
1 1 1  -11    6   30 o  168.603   17.080   38.578   7.3565   52.743   10.541   25.125   10.272  195.150   21.193  129.026   31.099 66.12370 37.63389 
1 1 1  -11    6   31 o   71.561   26.076   6.4753   6.2723  -4.9070   8.3475   21.235   9.5058   54.605   25.217  117.814   30.802 -63.20882 39.80801 
1 1 1  -11    6   32 o  264.501   13.166   93.215   9.0204   94.247   12.809   92.199   12.705  261.439   19.045  258.519   19.109 2.920013 26.97900 
1 1 1  -11    6   33 o  141.038   24.612   29.157   8.6644   29.900   12.497   28.470   12.023  134.837   35.349  132.003   34.703 2.833771 49.53697 
1 1 1  -11    6   34 o  108.098   35.651   19.509   11.585  -7.6260   16.902   43.550   15.909   73.565   34.600  158.607   38.997 -85.04191 52.13343 
1 1 1  -11    6   35 o  141.612   22.115   29.166   7.8469   25.566   10.786   33.214   11.437  124.282   32.963  143.589   31.607 -19.30688 45.66849 
1 1 1  -11    6   36 o   82.078   28.799   10.290   7.5745   13.495   10.745   7.1243   10.679   91.380   33.985   78.033   32.317 13.34711 46.89773 
1 1 1  -11    6   37 o  118.667   26.467   22.194   7.9285   24.209   11.575   20.414   10.882  115.635   35.361  106.896   34.511 8.739021 49.41036 
1 1 1  -11    6   38 o  114.765   28.085   21.703   8.2809   34.861   12.079   10.035   11.375  140.064   33.702   81.572   33.525 58.49199 47.53629 
1 1 1  -11    6   39 o  110.414   29.146   20.954   8.4583   23.179   11.766   18.573   12.168  108.123   35.942   96.804   36.133 11.31827 50.96475 
1 1 1  -11    6   40 o   76.503   28.863   9.7336   7.8062   10.973   11.004   8.4778   11.076   80.106   32.954   75.706   32.222 4.400032 46.08897 
1 1 1  -11    6   41 o  121.390   28.718   25.929   8.8889   18.586   12.596   33.213   12.546   92.419   36.192  126.355   36.368 -33.93607 51.30769 
1 1 1  -11    6   42 o   70.440   31.877   5.8457   12.476   5.8457   12.476   0.0000   0.0000   70.440   31.877  ?   ?  0.000000 31.87679 
1 1 1  -11    6   43 o   43.518   21.508 -12.8908   8.8812 -10.9993   12.767 -14.6645   12.363   54.041   26.528   50.899   25.196 3.142609 36.58615 
1 1 1  -11    6   44 o   52.448   24.474  -0.9662   8.1826   3.3535   11.616  -5.2206   11.528   63.094   29.348   54.760   26.502 8.333523 39.54318 
1 1 1  -11    7    1 o  1103.42   12.412  1580.36   35.476  1588.00   72.395  1577.94   40.698  1102.26   25.356  1102.19   14.255 0.6787109E-01 29.08803 
1 1 1  -11    7    2 o  641.930   11.024  534.628   18.330  557.400   34.148  525.411   21.725  654.127   20.154  636.134   13.184 17.99237 24.08324 
1 1 1  -11    7    3 f  924.584   11.264  1109.21   26.978  1088.00   54.510  1116.08   31.047  913.033   23.048  927.177   12.927 -14.14313 26.42614 
1 1 1  -11    7    4 o  570.223   20.363  423.700   30.077  423.700   30.077   0.0000   0.0000  570.223   20.363  ?   ?  0.000000 20.36316 
1 1 1  -11    7    5 o  363.175   14.425  171.360   13.570  175.100   19.883  168.100   18.565  365.875   21.069  358.630   20.066 7.244873 29.09534 
1 1 1  -11    7    6 o  245.985   9.9648   78.488   6.3493   66.682   9.0818   89.774   8.8801  225.948   15.613  262.934   13.038 -36.98619 20.34119 
1 1 1  -11    7    7 o  974.791   11.625  1233.33   29.354  1236.70   41.790  1230.05   41.241  975.046   16.546  972.465   16.372 2.581604 23.27699 
1 1 1  -11    7    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    7    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    7   10 o  344.495   9.7867  153.971   8.7331  153.525   12.689  154.372   12.038  343.663   14.254  344.676   13.483 -1.012756 19.62062 
1 1 1  -11    7   11 o  249.126   11.173   80.573   7.2101   69.363   10.413   90.898   9.9932  230.081   17.606  263.976   14.673 -33.89485 22.91821 
1 1 1  -11    7   12 o  260.411   13.474   88.386   9.0576   88.890   12.735   87.870   12.885  260.348   19.016  258.783   19.362 1.564819 27.13851 
1 1 1  -11    7   13 o  516.071   9.7721  345.649   13.063  348.205   18.724  343.224   18.233  517.420   13.971  513.747   13.702 3.672974 19.56807 
1 1 1  -11    7   14 o  434.369   9.7190  244.900   10.935  243.721   15.735  246.001   15.208  432.808   14.036  434.902   13.500 -2.093719 19.47408 
1 1 1  -11    7   15 o  802.947   15.718  840.210   32.692  826.000   46.670  853.900   45.808  793.465   22.707  807.111   21.911 -13.64594 31.55468 
1 1 1  -11    7   16 o  329.045   14.253  141.014   12.148   0.0000   0.0000  141.014   12.148  ?   ?   329.045   14.253 0.000000 14.25298 
1 1 1  -11    7   17 o  373.801   10.074  181.529   9.7538  169.093   13.864  193.718   13.725  360.114   14.862  385.633   13.740 -25.51926 20.24064 
1 1 1  -11    7   18 o  221.323   17.815   64.532   10.127   0.0000   0.0000   64.532   10.127  ?   ?   221.323   17.815 0.000000 17.81469 
1 1 1  -11    7   19 o  497.787   10.047  322.184   12.954  313.899   18.561  330.054   18.089  490.279   14.615  502.939   13.885 -12.65936 20.15939 
1 1 1  -11    7   20 o  382.632   10.358  190.525   10.267  193.912   14.990  187.532   14.089  385.008   15.031  378.786   14.360 6.222137 20.78804 
1 1 1  -11    7   21 o  170.615   15.201   38.437   6.6476   39.215   9.6073   37.721   9.2077  170.529   22.282  167.352   21.755 3.176346 31.14163 
1 1 1  -11    7   22 o  251.121   12.081   82.367   7.8585   76.333   11.026   88.596   11.203  239.928   17.870  258.915   16.795 -18.98708 24.52360 
1 1 1  -11    7   23 o  166.622   20.342   37.429   8.5972   30.510   11.484   46.250   12.967  146.441   31.228  182.415   28.364 -35.97441 42.18686 
1 1 1  -11    7   24 o  305.410   11.651  122.004   9.2173  127.111   13.420  117.444   12.682  309.676   16.793  297.749   16.508 11.92639 23.54784 
1 1 1  -11    7   25 o  302.901   18.993  122.700   14.826  131.000   23.236  117.000   19.255  306.288   29.660  291.964   25.723 14.32385 39.26043 
1 1 1  -11    7   26 o  167.367   16.368   37.463   7.0052   38.281   9.8424   36.623   9.9725  166.538   23.467  162.411   24.464 4.127426 33.89928 
1 1 1  -11    7   27 o   57.167   24.084   1.0459   6.0842   9.1118   8.5061  -7.4041   8.7062   84.669   30.435   53.667   25.110 31.00169 39.45655 
1 1 1  -11    7   28 f  129.577   20.240   23.179   6.5712   30.529   9.6078   16.720   9.0073  146.322   26.317  106.600   30.854 39.72132 40.55337 
1 1 1  -11    7   29 o   98.660   24.508   14.030   6.2350   30.519   9.6240   2.1025   8.1851  145.609   26.492   66.396   27.951 79.21255 38.51119 
1 1 1  -11    7   30 o  259.600   12.900   89.305   8.6747   89.236   12.126   89.376   12.415  255.950   18.413  255.840   18.867 0.1102448 26.36265 
1 1 1  -11    7   31 f  309.779   12.001  127.080   9.6302  130.480   13.677  123.737   13.562  310.002   17.099  301.589   17.435 8.413208 24.41995 
1 1 1  -11    7   32 o  201.847   14.835   55.033   7.7020   53.544   11.294   56.327   10.531  193.718   22.954  200.525   20.565 -6.806137 30.81858 
1 1 1  -11    7   33 o  195.172   17.957   52.695   8.9764   50.688   10.966   56.770   15.627  187.659   23.044  189.473   33.041 -1.813843 40.28320 
1 1 1  -11    7   34 o  141.461   31.168   31.830   11.113   16.890   18.481   40.290   13.908  102.834   42.545  155.639   35.308 -52.80499 55.28815 
1 1 1  -11    7   35 o  188.382   16.818   49.187   8.1203   53.565   11.132   44.209   11.872  191.534   22.891  169.263   28.059 22.27063 36.21192 
1 1 1  -11    7   36 o  113.785   25.760   20.078   7.4157   17.346   9.8879   23.591   11.211  100.902   32.921  115.910   34.659 -15.00800 47.80155 
1 1 1  -11    7   37 f   38.105   18.713 -10.9753   6.3752 -12.9220   7.8653  -7.2467   10.885   42.316   20.782   57.322   27.200 -15.00580 34.23089 
1 1 1  -11    7   38 o  196.711   17.087   54.964   8.6201   46.669   11.565   65.335   12.931  170.594   27.075  205.093   24.848 -34.49847 36.74866 
1 1 1  -11    7   39 o  120.027   25.158   23.187   7.5717   11.514   10.047   38.534   11.520   81.856   32.240  148.630   30.928 -66.77362 44.67620 
1 1 1  -11    7   40 o  146.017   24.119   34.013   8.8038   37.803   12.109   29.763   12.823  141.778   33.503  118.142   37.391 23.63580 50.20488 
1 1 1  -11    7   41 o   79.427   30.366   11.517   8.7126  -7.5680   13.683   24.532   11.299   59.873   28.951  107.688   35.194 -47.81487 45.57220 
1 1 1  -11    7   42 o   70.236   31.717   6.2809   12.276   6.2809   12.276   0.0000   0.0000   70.236   31.717  ?   ?  0.000000 31.71683 
1 1 1  -11    7   43 f   52.698   24.667  -1.7547   8.4179 -11.1860   12.154   6.9414   11.670   52.354   25.737   68.826   31.017 -16.47216 40.30409 
1 1 1  -11    7   44 o   66.424   30.011   7.0349   11.007 -22.5400   18.468   23.330   13.708   55.143   27.798   89.133   36.738 -33.98962 46.06940 
1 1 1  -11    8    1 o  666.568   9.7694  576.288   16.868  596.000   36.010  570.747   19.092  676.191   20.559  663.214   11.113 12.97748 23.37047 
1 1 1  -11    8    2 o  654.859   9.7563  556.223   16.549  557.800   34.750  555.761   18.821  654.159   20.508  654.446   11.102 -0.2868042 23.32020 
1 1 1  -11    8    3 o  414.050   21.408  224.200   22.881  224.200   22.881   0.0000   0.0000  414.050   21.408  ?   ?  0.000000 21.40762 
1 1 1  -11    8    4 o  526.676   11.383  359.993   15.529  365.400   28.385  357.683   18.552  529.374   20.700  524.750   13.649 4.624512 24.79487 
1 1 1  -11    8    5 o  554.012   11.137  398.314   15.983  379.600   29.320  406.226   19.064  539.470   20.982  559.266   13.160 -19.79602 24.76740 
1 1 1  -11    8    6 o  549.429   11.089  391.766   15.782  413.400   29.822  383.349   18.601  563.024   20.448  543.263   13.218 19.76166 24.34853 
1 1 1  -11    8    7 o  575.243   9.5755  429.242   14.268  429.671   20.349  428.828   20.011  575.065   13.661  574.529   13.447 0.5361938 19.16831 
1 1 1  -11    8    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    8    9 o  294.003   10.280  112.168   7.8285  103.327   11.384  120.100   10.783  281.383   15.681  303.990   13.694 -22.60718 20.81864 
1 1 1  -11    8   10 o  211.942   11.847   58.517   6.4779   52.941   9.5109   63.342   8.8473  200.678   18.505  220.082   15.621 -19.40355 24.21683 
1 1 1  -11    8   11 o  475.483   12.832  293.801   15.804  292.600   22.357  295.000   22.344  473.701   18.221  475.655   18.135 -1.953766 25.70743 
1 1 1  -11    8   12 o  300.336   14.626  117.368   11.379   0.0000   0.0000  117.368   11.379  ?   ?   300.336   14.626 0.000000 14.62634 
1 1 1  -11    8   13 o  470.380   9.7981  287.201   11.938  294.966   17.429  280.337   16.385  476.125   14.132  464.244   13.626 11.88135 19.63116 
1 1 1  -11    8   14 o  202.698   12.792   53.641   6.6822   56.484   9.6415   51.014   9.2696  207.208   18.146  196.795   18.398 10.41330 25.84124 
1 1 1  -11    8   15 o  292.500   17.964  112.191   13.545  109.300   20.325  114.500   18.167  286.259   27.759  294.090   24.058 -7.831024 36.73384 
1 1 1  -11    8   16 o  176.831   14.062   40.991   6.3880   47.598   9.2374   34.936   8.8436  189.754   19.051  161.731   21.653 28.02271 28.84084 
1 1 1  -11    8   17 o  474.576   13.850  293.557   17.026   0.0000   0.0000  293.557   17.026  ?   ?   474.576   13.850 0.000000 13.84990 
1 1 1  -11    8   18 o  362.696   14.399  171.695   13.528   0.0000   0.0000  171.695   13.528  ?   ?   362.696   14.399 0.000000 14.39891 
1 1 1  -11    8   19 o  284.741   11.182  105.567   8.2472  109.744   11.868  101.666   11.469  289.114   15.909  278.221   15.981 10.89319 22.54954 
1 1 1  -11    8   20 o  269.387   16.267   95.530   11.298   0.0000   0.0000   95.530   11.298  ?   ?   269.387   16.267 0.000000 16.26729 
1 1 1  -11    8   21 f  175.095   15.018   40.486   6.7454   43.119   9.6711   37.992   9.4130  179.075   21.265  167.658   22.222 11.41707 30.75756 
1 1 1  -11    8   22 o  140.521   19.542   26.647   6.9207   24.210   10.626   28.442   9.1204  130.223   31.781  143.404   25.487 -13.18045 40.73840 
1 1 1  -11    8   23 o  265.341   13.908   92.667   9.5260   92.246   12.109   93.350   15.430  263.382   17.855  262.793   22.896 0.5897827 29.03456 
1 1 1  -11    8   24 o  195.229   17.683   50.939   8.8453   53.228   10.483   45.280   16.482  198.497   20.692  175.059   37.478 23.43799 42.81070 
1 1 1  -11    8   25 o  180.638   19.643   44.099   9.0430   65.190   19.767   38.517   10.170  209.869   37.750  166.881   24.234 42.98793 44.85929 
1 1 1  -11    8   26 o  330.694   11.148  143.278   9.5490  143.104   13.753  143.441   13.269  328.422   16.166  329.094   15.566 -0.6718750 22.44181 
1 1 1  -11    8   27 o   81.110   25.877   9.0720   6.1320   9.0530   8.4465   9.0932   8.9163   84.188   30.322   85.075   31.076 -0.8862152 43.41780 
1 1 1  -11    8   28 o  129.610   19.942   23.206   6.4804   29.616   9.2649   17.066   9.0677  144.051   25.776  107.306   30.929 36.74476 40.26154 
1 1 1  -11    8   29 o  295.959   17.614  118.409   13.442  118.409   13.442   0.0000   0.0000  295.959   17.614  ?   ?  0.000000 17.61391 
1 1 1  -11    8   30 o  166.125   17.118   37.623   7.2608   37.459   9.9049   37.814   10.675  161.800   24.391  161.270   26.473 0.5293274 35.99616 
1 1 1  -11    8   31 o  133.592   21.672   25.374   7.2426   28.921   10.268   21.862   10.217  137.885   29.631  117.889   32.440 19.99561 43.93532 
1 1 1  -11    8   32 o  129.495   25.234   24.799   8.1600   18.040   12.119   30.406   11.037  105.393   36.459  139.326   31.341 -33.93279 48.07814 
1 1 1  -11    8   33 o   69.924   26.765   5.9748   6.7735   16.211   8.9212  -7.9577   10.408  101.019   31.069   57.018   26.919 44.00159 41.10814 
1 1 1  -11    8   34 o   80.103   30.850   8.7425   9.0353   33.040   18.960   1.6037   10.277  128.090   45.504   68.632   30.113 59.45871 54.56559 
1 1 1  -11    8   35 o   91.059   27.895   13.083   7.1997   10.643   10.409   15.321   9.9692   84.985   33.005   96.105   33.078 -11.12051 46.72770 
1 1 1  -11    8   36 o  120.609   26.538   22.854   8.0657   24.912   10.927   20.391   11.956  119.340   33.808  105.806   36.232 13.53381 49.55580 
1 1 1  -11    8   37 o   61.939   26.169   3.1977   7.2167  -5.1316   10.898   9.7029   9.6310   59.210   27.827   79.906   31.536 -20.69572 42.05779 
1 1 1  -11    8   38 f  138.784   24.840   30.364   8.6021   17.301   12.368   42.606   11.972   94.382   36.157  158.379   30.286 -63.99717 47.16552 
1 1 1  -11    8   39 o  115.876   29.066   23.349   8.7093   32.874   12.285   13.724   12.349  129.463   35.549   85.597   35.026 43.86573 49.90519 
1 1 1  -11    8   40 o   61.411   26.220   3.8212   7.3754  -1.0600   11.187   7.5739   9.8091   61.713   28.737   72.046   30.478 -10.33348 41.89003 
1 1 1  -11    8   41 o   70.594   31.264   6.5441   11.323   1.1110   15.112   13.500   17.099   68.550   32.385   81.716   37.114 -13.16652 49.25690 
1 1 1  -11    8   42 o   87.710   36.451   18.951   13.653   36.160   22.500   8.9210   17.177   97.811   43.649   75.068   35.170 22.74295 56.05507 
1 1 1  -11    8   43 o   90.791   31.115   17.562   8.8171   5.9678   12.874   27.806   12.101   67.693   31.281  105.633   36.438 -37.94063 48.02298 
1 1 1  -11    9    1 o  377.118   9.4292  184.463   9.2109  154.600   20.327  192.180   10.333  343.256   22.994  384.866   10.365 -41.61032 25.22238 
1 1 1  -11    9    2 o  1095.38   12.477  1558.01   35.403  1495.00   69.869  1579.78   41.065  1068.76   25.238  1102.54   14.379 -33.78125 29.04669 
1 1 1  -11    9    3 o  584.011   20.673  444.900   31.273  444.900   31.273   0.0000   0.0000  584.011   20.673  ?   ?  0.000000 20.67307 
1 1 1  -11    9    4 o  436.528   14.727  247.711   16.653  253.700   24.673  242.700   22.569  440.840   21.607  431.392   20.197 9.448120 29.57645 
1 1 1  -11    9    5 o  395.885   9.7536  203.319   10.002  239.500   23.020  194.899   11.105  428.421   20.743  387.509   11.063 40.91196 23.50922 
1 1 1  -11    9    6 o  182.271   14.869   43.482   6.9592   91.460   16.505   33.109   7.6748  263.231   24.487  158.244   19.111 104.9872 31.06197 
1 1 1  -11    9    7 o  562.699   11.281  411.047   16.442  425.200   30.905  405.460   19.418  570.677   20.907  558.589   13.421 12.08728 24.84391 
1 1 1  -11    9    8 f  232.949   10.797   70.439   6.5147   70.533   9.3088   70.349   9.1206  232.311   15.559  232.047   15.259 0.2635956 21.79281 
1 1 1  -11    9    9 o  389.590   17.599  197.800   17.761  197.800   17.761   0.0000   0.0000  389.590   17.599  ?   ?  0.000000 17.59942 
1 1 1  -11    9   10 o  584.445   13.179  444.010   19.952  438.500   27.992  449.700   28.446  579.752   18.640  587.094   18.705 -7.342163 26.40708 
1 1 1  -11    9   11 o  358.460   10.023  166.790   9.3070  165.500   13.510  167.954   12.839  356.623   14.625  359.351   13.793 -2.727844 20.10382 
1 1 1  -11    9   12 o  413.854   9.9247  222.343   10.639  220.001   15.459  224.450   14.665  411.126   14.516  415.384   13.629 -4.258148 19.91192 
1 1 1  -11    9   13 o  184.776   13.709   44.670   6.5145   46.624   9.4373   42.892   9.0038  187.817   19.691  180.074   19.620 7.742844 27.79754 
1 1 1  -11    9   14 o  324.606   12.873  137.087   10.824  138.566   13.097  133.900   19.225  326.020   15.508  318.319   23.481 7.700775 28.14035 
1 1 1  -11    9   15 o  267.106   13.907   93.185   9.5885  112.200   21.175   88.280   10.754  289.507   28.611  259.592   16.072 29.91498 32.81615 
1 1 1  -11    9   16 f  327.946   10.583  139.805   8.9903  148.416   12.971  131.844   12.472  337.296   14.846  317.861   15.148 19.43558 21.21000 
1 1 1  -11    9   17 o  125.905   19.779   21.305   6.2379   2.4972   8.6893   41.305   8.9604   71.307   29.303  176.218   19.984 -104.9114 35.46840 
1 1 1  -11    9   18 o   84.072   24.888   9.5428   5.8026   19.948   8.3164  -0.3281   8.1001  119.983   27.365   63.360   27.274 56.62245 38.63586 
1 1 1  -11    9   19 o  353.113   10.624  162.349   9.7178  163.015   14.063  161.740   13.444  352.815   15.388  351.587   14.762 1.227600 21.32393 
1 1 1  -11    9   20 o  300.289   11.153  117.565   8.6754  122.764   12.660  112.962   11.912  305.371   16.061  292.984   15.754 12.38736 22.49769 
1 1 1  -11    9   21 o  525.079   10.365  359.404   14.097  354.521   20.322  363.934   19.572  519.621   15.098  526.823   14.343 -7.202515 20.82454 
1 1 1  -11    9   22 o  282.629   14.644  105.229   10.684  107.500   14.862  102.800   15.369  283.465   20.377  276.617   21.621 6.848236 29.71006 
1 1 1  -11    9   23 o  314.383   11.453  129.273   9.3267  112.186   13.308  145.765   13.075  290.371   17.779  332.608   15.176 -42.23712 23.37539 
1 1 1  -11    9   24 o  101.325   36.093   13.578   11.937   3.3890   20.734   18.630   14.599   99.898   43.317  115.028   40.003 -15.12949 58.96310 
1 1 1  -11    9   25 o  178.847   15.795   42.664   7.2421   29.733   10.092   56.393   10.399  144.468   27.979  204.183   19.915 -59.71469 34.34272 
1 1 1  -11    9   26 o  232.815   13.379   71.674   8.0347   75.986   11.432   67.465   11.294  237.441   18.740  223.174   19.741 14.26677 27.21955 
1 1 1  -11    9   27 o  225.636   13.806   67.565   8.0301   58.625   11.181   77.090   11.541  206.766   21.174  238.680   18.819 -31.91472 28.32843 
1 1 1  -11    9   28 o  194.833   14.926   50.791   7.4754   44.639   10.456   57.223   10.692  178.633   23.141  204.080   20.503 -25.44745 30.91692 
1 1 1  -11    9   29 o  171.635   16.595   39.945   7.2858   38.650   10.709   41.061   9.9406  163.638   26.146  170.611   23.086 -6.973557 34.87972 
1 1 1  -11    9   30 o   83.042   26.636   9.9629   6.4905   4.4262   9.3480   15.116   9.0188   73.288   30.285   99.583   31.340 -26.29509 43.58138 
1 1 1  -11    9   31 o   64.095   25.113   4.2991   6.0674   18.455   9.3574  -5.9700   7.9698  108.425   31.467   51.328   24.018 57.09679 39.58623 
1 1 1  -11    9   32 o  115.702   26.584   20.275   7.7999   13.550   9.4985   34.200   13.668   93.616   32.284  142.587   36.768 -48.97149 48.92955 
1 1 1  -11    9   33 o   85.418   29.835   10.977   8.1249   9.6826   9.8401   13.750   14.403   83.542   32.189   95.569   38.287 -12.02675 50.02081 
1 1 1  -11    9   34 o   71.758   27.858   6.4811   7.4131   9.4852   10.579   3.5832   10.390   83.142   32.976   71.745   30.887 11.39638 45.18212 
1 1 1  -11    9   35 o  108.935   27.798   18.918   7.8697   14.594   10.836   23.745   11.448   93.476   34.241  115.936   35.104 -22.45994 49.03791 
1 1 1  -11    9   36 o  183.320   18.131   47.785   8.4968   54.868   12.261   41.241   11.786  188.514   25.785  159.135   29.683 29.37871 39.31898 
1 1 1  -11    9   37 o  116.200   27.697   22.215   8.2185   22.150   11.418   22.286   11.839  107.858   35.385  107.407   36.059 0.4512787 50.52046 
1 1 1  -11    9   38 o   95.036   29.748   15.944   8.1380   2.4984   11.203   30.965   11.841   67.646   30.446  127.403   34.867 -59.75751 46.28872 
1 1 1  -11    9   39 o   81.500   29.432   11.718   7.9649   9.6957   12.040   13.292   10.621   77.896   33.385   84.208   33.154 -6.311867 47.05059 
1 1 1  -11    9   40 o   48.167   23.134  -6.8915   8.3890 -12.9647   11.686  -0.4345   12.050   51.823   25.427   63.445   29.638 -11.62234 39.05042 
1 1 1  -11    9   41 o   76.804   32.108   11.025   10.683   11.050   15.238   11.000   14.982   77.704   35.190   77.586   35.038 0.1172867 49.65879 
1 1 1  -11    9   42 o   66.648   31.273   3.2557   13.671   12.160   19.973  -4.5930   18.752   77.081   36.654   65.742   32.247 11.33920 48.82023 
1 1 1  -11    9   43 o   55.369   25.513   0.8758   8.4733  -7.3706   11.548   10.492   12.471   52.947   25.828   71.933   32.270 -18.98666 41.33342 
1 1 1  -11   10    1 o  322.652   9.8569  135.066   8.2380  159.500   20.015  130.082   9.0392  348.689   22.277  316.575   11.023 32.11426 24.85472 
1 1 1  -11   10    2 o  276.534   26.641  101.200   18.847  101.200   18.847   0.0000   0.0000  276.534   26.641  ?   ?  0.000000 26.64061 
1 1 1  -11   10    3 o  689.513   11.808  617.320   21.089  629.000   38.519  612.319   25.202  693.985   21.428  686.329   14.176 7.655701 25.69270 
1 1 1  -11   10    4 o  330.027   12.853  141.498   10.988  148.300   19.906  138.517   13.177  335.969   23.012  326.297   15.590 9.672516 27.79586 
1 1 1  -11   10    5 o  528.935   9.7597  363.004   13.372  381.100   29.477  358.315   15.004  540.176   21.067  525.377   11.026 14.79871 23.77762 
1 1 1  -11   10    6 o  394.584   9.9307  202.039   10.150  243.300   23.724  192.794   11.230  431.526   21.224  385.345   11.250 46.18021 24.02170 
1 1 1  -11   10    7 o  507.640   9.9606  334.428   13.098  328.000   28.190  336.197   14.791  500.858   21.729  508.845   11.222 -7.986694 24.45554 
1 1 1  -11   10    8 o  214.059   16.114   60.001   8.8695   0.0000   0.0000   60.001   8.8695  ?   ?   214.059   16.114 0.000000 16.11434 
1 1 1  -11   10    9 o  171.692   14.376   38.617   6.3345   43.223   8.3242   32.280   9.7636  181.171   17.975  154.888   25.202 26.28230 30.95557 
1 1 1  -11   10   10 o  324.684   10.089  136.855   8.4848  142.843   12.464  131.682   11.583  331.297   14.524  318.139   14.056 13.15802 20.21158 
1 1 1  -11   10   11 o  576.846   9.9430  432.002   14.857  447.242   21.672  418.489   20.407  586.186   14.273  567.104   13.892 19.08209 19.91733 
1 1 1  -11   10   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   10   13 o  202.672   12.929   53.662   6.7519   61.158   9.8596   47.042   9.2654  215.634   17.811  188.664   19.228 26.97017 26.20999 
1 1 1  -11   10   14 o  294.614   18.694  114.047   14.192  116.800   22.050  112.100   18.544  295.180   29.222  290.482   24.886 4.698151 38.38302 
1 1 1  -11   10   15 o  477.016   10.008  295.682   12.366  293.615   17.927  297.560   17.080  474.463   14.587  477.816   13.800 -3.352692 20.08049 
1 1 1  -11   10   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   10   17 o  374.943   10.474  182.895   10.172  199.717   14.893  168.181   13.928  390.957   14.706  358.703   14.990 32.25339 20.99913 
1 1 1  -11   10   18 o   81.848   25.449   8.9241   5.9674   3.6057   8.3109   14.584   8.5736   72.198   29.028  102.886   30.196 -30.68811 41.88548 
1 1 1  -11   10   19 o  421.173   10.484  231.070   11.437  231.963   16.487  230.242   15.880  420.679   15.130  419.280   14.621 1.399048 21.04027 
1 1 1  -11   10   20 o  163.414   15.897   35.419   6.6437   34.121   9.2545   36.801   9.5434  158.272   23.268  164.561   23.019 -6.289322 32.72999 
1 1 1  -11   10   21 o  229.113   16.348   69.523   9.6385   52.590   12.866   91.180   14.551  195.678   26.029  260.443   21.768 -64.76527 33.93183 
1 1 1  -11   10   22 o  346.714   11.064  157.097   9.9361  138.578   14.230  174.719   13.880  323.231   17.056  364.394   14.706 -41.16284 22.52004 
1 1 1  -11   10   23 o  142.019   18.071   27.205   6.4974   21.183   9.3736   32.775   9.0144  121.284   30.002  154.236   23.289 -32.95220 37.98022 
1 1 1  -11   10   24 o  203.475   25.494   57.408   13.142   41.360   22.497   65.720   16.192  159.469   49.386  215.423   29.816 -55.95412 57.68891 
1 1 1  -11   10   25 o  310.900   11.686  126.844   9.4106  115.924   13.605  136.862   13.031  294.126   17.943  321.280   15.658 -27.15363 23.81445 
1 1 1  -11   10   26 o  262.310   12.213   90.540   8.2984   87.102   11.756   93.953   11.715  254.404   17.955  264.677   17.181 -10.27299 24.85109 
1 1 1  -11   10   27 o  200.468   14.788   53.673   7.6249   54.776   10.956   52.636   10.618  199.224   21.576  195.396   21.325 3.828476 30.33604 
1 1 1  -11   10   28 o   95.542   25.075   13.274   6.2838   18.887   8.7948   7.4204   8.9816  112.216   29.767   79.857   30.758 32.35929 42.80347 
1 1 1  -11   10   29 o  127.175   21.656   22.911   6.8782   20.767   9.5865   25.185   9.8743  116.237   31.190  128.783   30.135 -12.54653 43.36983 
1 1 1  -11   10   30 o   61.439   25.274   2.7771   6.4724   2.0935   9.3327   3.4105   8.9839   68.470   29.370   70.014   29.369 -1.543625 41.53479 
1 1 1  -11   10   31 o   50.497   23.045  -2.9311   6.6935  -2.9620   9.9356  -2.9054   9.0573   61.848   28.168   59.163   26.925 2.685280 38.96634 
1 1 1  -11   10   32 o  111.689   25.026   18.737   7.0608   19.653   9.6982   17.704   10.300  110.145   32.055  104.059   33.573 6.086128 46.41808 
1 1 1  -11   10   33 o  136.351   35.755   31.825   12.784   39.090   18.488   25.170   17.696  140.110   44.956  114.683   43.412 25.42753 62.49524 
1 1 1  -11   10   34 o  102.698   27.882   16.762   7.6077   19.348   10.759   14.177   10.758  105.936   34.328   93.003   34.110 12.93270 48.39322 
1 1 1  -11   10   35 o  160.685   18.595   36.813   7.5967   39.986   11.617   34.442   10.041  157.413   29.577  148.167   27.164 9.245300 40.15772 
1 1 1  -11   10   36 o  119.280   25.159   22.330   7.5289   28.783   10.002   13.894   11.437  131.028   30.102   89.519   34.644 41.50867 45.89470 
1 1 1  -11   10   37 o   49.408   23.066  -3.7971   7.2806 -10.4974   10.385   2.6782   10.210   51.917   25.133   66.607   29.584 -14.69046 38.81801 
1 1 1  -11   10   38 o  163.017   19.779   39.604   8.1808   39.460   11.472   39.753   11.669  150.130   30.540  150.015   31.053 0.1145782 43.55438 
1 1 1  -11   10   39 f   51.907   24.072  -2.2671   7.7240  -6.8172   10.200   3.8485   11.826   53.472   25.635   68.562   31.030 -15.09018 40.24972 
1 1 1  -11   10   40 o   98.800   32.250   19.602   9.4888   46.740   14.954   1.3105   12.277  145.069   38.968   65.072   30.236 79.99673 49.32232 
1 1 1  -11   10   41 o   60.980   27.880   1.9111   9.8538   2.1352   11.900   1.4220   17.577   64.248   29.824   69.415   33.376 -5.166908 44.76029 
1 1 1  -11   10   42 o  101.315   34.782   24.234   11.019 -15.2200   22.776   36.292   12.591   63.457   31.839  124.559   36.603 -61.10163 48.51335 
1 1 1  -11   10   43 o   70.361   29.197   10.017   8.7409   24.140   12.754  -2.4931   12.003   91.767   36.267   56.876   27.406 34.89112 45.45747 
1 1 1  -11   11    1 o  550.636   14.440  394.311   20.596  385.100   28.989  403.700   29.268  543.011   20.610  556.034   20.321 -13.02338 28.94337 
1 1 1  -11   11    2 o  854.220   22.857  954.900   50.575  954.900   50.575   0.0000   0.0000  854.220   22.857  ?   ?  0.000000 22.85681 
1 1 1  -11   11    3 o  197.604   12.828   50.952   6.5306   39.250   17.864   52.757   7.0162  167.983   41.336  201.003   13.555 -33.02017 43.50194 
1 1 1  -11   11    4 o  634.870   10.142  523.127   16.679  498.100   34.797  530.593   19.004  617.155   21.767  639.195   11.478 -22.04028 24.60761 
1 1 1  -11   11    5 o  506.881   9.8967  333.446   12.994  325.600   28.598  335.487   14.587  498.837   22.132  508.298   11.079 -9.461426 24.75022 
1 1 1  -11   11    6 f  511.590   11.271  339.902   14.936   0.0000   0.0000  339.902   14.936  ?   ?   511.590   11.271 0.000000 11.27079 
1 1 1  -11   11    7 o  225.727   16.076   66.702   9.3382   0.0000   0.0000   66.702   9.3382  ?   ?   225.727   16.076 0.000000 16.07586 
1 1 1  -11   11    8 f  236.311   12.444   72.784   7.5904   61.320   19.561   74.816   8.2357  211.434   37.068  239.486   13.329 -28.05164 39.39116 
1 1 1  -11   11    9 o  323.951   11.043  136.320   9.2667  158.000   22.353  131.821   10.183  345.768   25.129  318.443   12.345 27.32596 27.99773 
1 1 1  -11   11   10 f  187.400   16.375   46.137   7.8687   40.940   18.596   47.271   8.6846  170.691   42.278  189.447   17.910 -18.75658 45.91548 
1 1 1  -11   11   11 o  409.629  10.0000  217.910   10.611  209.235   15.238  226.076   14.784  400.768   14.679  416.741   13.695 -15.97336 20.07536 
1 1 1  -11   11   12 o  292.088   10.971  110.882   8.3009  106.727   12.101  114.573   11.408  285.485   16.434  296.105   14.921 -10.61960 22.19715 
1 1 1  -11   11   13 o  341.438   13.080  151.797   11.569  152.344   13.965  150.600   20.654  341.639   15.780  337.230   23.797 4.409302 28.55358 
1 1 1  -11   11   14 o  500.181   23.683  330.200   30.684  330.200   30.684   0.0000   0.0000  500.181   23.683  ?   ?  0.000000 23.68316 
1 1 1  -11   11   15 o  339.833   10.571  150.198   9.3049  151.269   13.597  149.254   12.761  340.244   15.428  338.132   14.569 2.112244 21.22015 
1 1 1  -11   11   16 o  354.502   10.786  163.549   9.9041  154.308   14.328  172.005   13.706  343.326   16.111  362.829   14.583 -19.50317 21.73114 
1 1 1  -11   11   17 o  257.504   12.257   86.481   8.1756   81.340   11.689   91.405   11.439  248.025   18.324  263.403   16.854 -15.37756 24.89608 
1 1 1  -11   11   18 o  281.896   11.841  103.678   8.6460  109.404   12.639   98.642   11.853  287.977   17.019  273.457   16.816 14.51965 23.92510 
1 1 1  -11   11   19 o  272.539   12.069   97.026   8.5205   83.855   12.108  109.949   11.993  251.209   18.742  288.737   16.099 -37.52838 24.70702 
1 1 1  -11   11   20 o   60.695   24.836   2.0584   6.2092   4.3030   9.1748   0.1616   8.4341   75.716   30.479   64.926   27.887 10.78973 41.31198 
1 1 1  -11   11   21 o  331.714   12.699  144.195   10.912  152.242   14.129  132.300   17.176  339.659   16.059  313.809   21.256 25.85052 26.64036 
1 1 1  -11   11   22 o  306.178   11.469  122.698   9.0957  120.099   13.319  124.968   12.451  300.515   17.182  307.222   15.699 -6.706879 23.27360 
1 1 1  -11   11   23 o  187.481   18.810   47.351   9.0114   33.443   10.650   82.410   16.909  153.664   27.779  243.228   27.310 -89.56407 38.95483 
1 1 1  -11   11   24 f  242.929   16.237   78.676   10.159   72.700   23.668   80.025   11.247  215.557   43.881  244.271   17.900 -28.71489 47.39196 
1 1 1  -11   11   25 o  143.195   18.839   27.958   6.8182   11.123   9.7903   43.814   9.5010   91.513   32.678  178.828   20.905 -87.31532 38.79280 
1 1 1  -11   11   26 o  150.130   17.329   30.564   6.6153   22.993   9.4944   37.707   9.2224  124.742   29.793  164.768   22.171 -40.02613 37.13730 
1 1 1  -11   11   27 o  209.292   14.372   58.502   7.7444   56.059   11.043   60.868   10.864  201.151   21.528  210.490   20.173 -9.338623 29.50212 
1 1 1  -11   11   28 f   75.057   23.655   7.9252   5.1361   14.569   7.5092   2.0848   7.0406   98.889   28.031   62.122   26.026 36.76732 38.24995 
1 1 1  -11   11   29 o   80.520   26.749   9.2606   6.5173   9.5199   9.0529   8.9817   9.3901   84.012   31.204   83.155   31.588 0.8567963 44.40193 
1 1 1  -11   11   30 o  168.046   17.693   38.981   7.5857   32.223   10.895   45.340   10.568  144.604   30.066  177.352   23.590 -32.74788 38.21623 
1 1 1  -11   11   31 o  150.396   22.808   32.779   8.6066   39.310   11.200   23.360   13.450  161.000   27.865  115.964   38.422 45.03592 47.46241 
1 1 1  -11   11   32 o  114.433   24.715   19.699   7.1117   4.3618   10.116   34.684   9.9996   72.943   30.910  151.434   26.455 -78.49110 40.68557 
1 1 1  -11   11   33 o   66.298   29.818  -0.3432   10.723   37.530   18.573 -19.2800   13.133  135.031   45.165   54.772   26.891 80.25824 52.56451 
1 1 1  -11   11   34 o  223.273   15.070   68.532   8.6648   88.687   13.023   52.521   11.607  248.298   20.429  186.702   24.599 61.59512 31.97625 
1 1 1  -11   11   35 o  162.731   19.048   38.127   7.8772   44.765   10.675   30.192   11.672  170.838   24.851  130.364   34.155 40.47411 42.23903 
1 1 1  -11   11   36 o   63.472   26.014   4.4744   6.8259  -0.1299   10.138   8.2924   9.2319   62.833   28.553   75.699   30.538 -12.86613 41.80731 
1 1 1  -11   11   37 o  176.833   19.324   46.089   8.7075   49.272   12.601   43.179   12.047  170.126   29.673  157.920   30.554 12.20667 42.59144 
1 1 1  -11   11   38 o   66.190   27.586   5.6117   7.8512   2.0543   10.822   9.5641   11.407   65.115   29.556   77.027   32.740 -11.91164 44.10743 
1 1 1  -11   11   39 o   88.628   31.093   15.213   8.8292   13.023   12.471   17.414   12.501   81.441   34.405   89.105   35.681 -7.664696 49.56615 
1 1 1  -11   11   40 o   74.744   32.028   9.9570   11.078   13.130   15.259   6.4210   16.109   79.745   35.740   73.064   34.176 6.680122 49.45067 
1 1 1  -11   11   41 o   50.538   24.497  -7.3994   9.9458  -7.7498   11.669  -6.4690   19.015   53.958   26.242   64.802   31.921 -10.84405 41.32277 
1 1 1  -11   11   42 o   68.862   30.191   8.6324   10.312   22.440   18.668   2.5685   12.371   82.357   37.918   62.767   29.546 19.59027 48.07041 
1 1 1  -11   12    1 o  297.637   10.605  115.019   8.1758   97.930   19.082  118.862   9.0484  271.397   27.525  302.498   11.548 -31.10184 29.84900 
1 1 1  -11   12    2 o  301.129   10.656  117.739   8.3116  116.500   20.522  117.982   9.0905  296.354   27.031  301.367   11.645 -5.012970 29.43281 
1 1 1  -11   12    3 o  767.142   12.144  764.732   24.132   0.0000   0.0000  764.732   24.132  ?   ?   767.142   12.144 0.000000 12.14422 
1 1 1  -11   12    4 o  307.510   13.637  122.994   10.863   0.0000   0.0000  122.994   10.863  ?   ?   307.510   13.637 0.000000 13.63747 
1 1 1  -11   12    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   12    6 o  318.715   10.891  131.936   8.9909  154.700   21.596  127.163   9.8885  342.301   24.519  312.783   12.205 29.51794 27.38878 
1 1 1  -11   12    7 o  569.489   10.074  421.103   14.861  460.300   33.572  411.552   16.573  592.635   21.870  562.800   11.368 29.83533 24.64798 
1 1 1  -11   12    8 o  188.865   14.334   46.707   6.9602   61.190   18.971   44.455   7.4820  211.187   35.969  184.000   15.853 27.18745 39.30742 
1 1 1  -11   12    9 o  466.564   10.440  282.767   12.617  311.600   28.562  275.776   14.064  487.113   22.636  460.573   11.788 26.54041 25.52192 
1 1 1  -11   12   10 o  389.758   10.854  197.414   10.958  173.500   25.070  203.062   12.184  361.305   26.982  395.159   11.903 -33.85461 29.49072 
1 1 1  -11   12   11 o  286.789   30.615  110.700   22.392  110.700   22.392   0.0000   0.0000  286.789   30.615  ?   ?  0.000000 30.61504 
1 1 1  -11   12   12 o  492.146   11.904  315.156   15.175  329.561   18.603  286.500   26.237  502.755   14.285  466.732   21.702 36.02365 25.98136 
1 1 1  -11   12   13 o  343.812   27.436  158.100   24.230  158.100   24.230   0.0000   0.0000  343.812   27.436  ?   ?  0.000000 27.43571 
1 1 1  -11   12   14 o  439.011   10.221  250.628   11.623  249.192   16.826  251.939   16.075  436.767   14.873  439.351   14.125 -2.583710 20.51154 
1 1 1  -11   12   15 o  366.784   10.626  175.080   10.096  165.270   14.504  184.301   14.062  355.336   15.758  375.551   14.455 -20.21420 21.38350 
1 1 1  -11   12   16 o  184.629   14.932   44.901   7.0799   47.950   10.313   42.183   9.7367  189.224   21.418  177.272   21.654 11.95190 30.45707 
1 1 1  -11   12   17 o  172.624   15.312   39.373   6.7756   40.329   9.6699   38.450   9.4969  172.931   22.092  168.739   22.272 4.191879 31.37042 
1 1 1  -11   12   18 o  202.151   13.935   53.783   7.2522   72.942   10.871   38.421   9.7347  234.401   18.044  168.220   22.939 66.18059 29.18490 
1 1 1  -11   12   19 o  223.156   14.406   65.645   8.2826   63.870   12.457   67.052   11.088  217.427   22.442  224.013   19.298 -6.586563 29.59776 
1 1 1  -11   12   20 o  364.305   20.142  177.500   18.933   0.0000   0.0000  177.500   18.933  ?   ?   364.305   20.142 0.000000 20.14157 
1 1 1  -11   12   21 o  324.425   11.335  137.729   9.5256  140.085   14.123  135.762   12.902  324.779   16.846  320.661   15.533 4.118042 22.91406 
1 1 1  -11   12   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   12   23 o  187.397   29.255   50.037   13.737   41.540   21.434   55.960   17.895  159.362   47.984  193.406   37.070 -34.04466 60.63581 
1 1 1  -11   12   24 o  301.382   11.996  119.402   9.3650  120.909   13.513  118.009   12.990  300.362   17.444  297.002   16.956 3.359711 24.32673 
1 1 1  -11   12   25 o  171.890   16.531   39.791   7.2697   24.946   10.306   54.492   10.256  129.490   31.114  199.677   20.102 -70.18733 37.04284 
1 1 1  -11   12   26 o  110.615   22.164   17.340   6.1291   10.239   8.5898   24.705   8.7481   86.723   30.647  130.357   26.803 -43.63486 40.71415 
1 1 1  -11   12   27 f  253.351   12.930   85.316   8.4569   87.563   12.067   83.147   11.855  253.322   18.519  246.705   18.690 6.616241 26.31101 
1 1 1  -11   12   28 o   56.551   23.623   1.7039   5.7768  -0.3964   7.6334   4.5191   8.8376   58.894   25.894   72.167   29.592 -13.27319 39.32171 
1 1 1  -11   12   29 o   86.319   26.761   11.073   6.6037   20.675   9.5798   2.3777   9.1156  114.608   31.359   68.139   29.122 46.46880 42.79598 
1 1 1  -11   12   30 o   80.364   29.688   8.9733   8.1726   18.310   11.272  -1.3730   11.866  105.507   35.185   68.987   31.165 36.51997 47.00272 
1 1 1  -11   12   31 o  103.940   24.897   16.335   6.6150   22.320   10.010   11.696   8.8134  116.906   32.085   87.567   31.033 29.33891 44.63697 
1 1 1  -11   12   32 o   70.330   28.917   5.0273   8.4676   5.1372   9.8498   4.7160   16.576   73.330   30.755   83.722   37.406 -10.39165 48.42585 
1 1 1  -11   12   33 o   97.535   30.537   15.686   8.5749   19.930   20.335   14.768   9.4568  103.253   43.793   94.246   32.224 9.007767 54.37169 
1 1 1  -11   12   34 o   58.223   25.053   1.7521   6.8293   10.984   8.9855 -10.8747   10.508   83.327   31.061   52.954   25.548 30.37313 40.21783 
1 1 1  -11   12   35 o   78.830   27.622   9.9018   6.9669  -2.0441   10.901   18.151   9.0584   62.458   28.835  101.731   31.310 -39.27364 42.56452 
1 1 1  -11   12   36 o   64.868   27.347   4.4251   7.8531   20.026   11.338  -9.9582   10.887  100.927   35.246   53.555   25.879 47.37164 43.72607 
1 1 1  -11   12   37 o   52.148   23.957  -1.6790   7.3969  -3.4690   11.414  -0.3831   9.7122   60.111   28.321   60.020   27.529 0.9177017E-01 39.49591 
1 1 1  -11   12   38 o   92.970   30.922   16.535   8.7085   15.128   12.252   17.972   12.381   85.607   34.942   90.844   35.786 -5.237572 50.01614 
1 1 1  -11   12   39 o   58.190   25.698   2.4389   7.5971  -7.5238   11.162   11.037   10.370   54.187   26.189   76.954   31.856 -22.76648 41.23925 
1 1 1  -11   12   40 o   58.885   26.651   2.0040   8.7232   0.5877   10.228   5.7830   16.707   59.645   27.674   71.630   33.905 -11.98484 43.76557 
1 1 1  -11   12   41 o   92.819   38.314   25.765   14.938   37.380   22.727   16.930   19.821   93.019   42.456   78.512   37.091 14.50701 56.37587 
1 1 1  -11   12   42 o  150.972   25.347   40.763   9.5609   46.059   13.910   36.020   13.163  134.410   38.169  114.987   38.006 19.42314 53.86382 
1 1 1  -11   13    1 o  620.856   19.804  504.100   31.848   0.0000   0.0000  504.100   31.848  ?   ?   620.856   19.804 0.000000 19.80376 
1 1 1  -11   13    2 o  268.701   12.804   93.894   8.9117  118.600   22.689   89.387   9.6905  297.929   29.800  261.649   14.353 36.28049 33.07632 
1 1 1  -11   13    3 o  759.205   12.317  749.390   24.223  666.600   41.860  791.068   29.701  712.784   22.672  779.394   14.711 -66.61053 27.02700 
1 1 1  -11   13    4 o  377.533   10.287  185.104   10.060  197.300   23.198  182.279   11.164  386.940   23.253  374.512   11.509 12.42801 25.94543 
1 1 1  -11   13    5 f  726.461   10.629  685.555   20.001  713.500   43.037  677.857   22.588  737.288   22.535  722.058   12.077 15.22974 25.56689 
1 1 1  -11   13    6 f  483.355   11.539  303.687   14.447  399.600   30.963  276.995   16.334  551.940   21.657  461.287   13.670 90.65308 25.61095 
1 1 1  -11   13    7 o  162.945   15.809   34.949   6.5887   49.550   18.817   32.909   7.0340  188.182   39.844  157.777   17.506 30.40530 43.52015 
1 1 1  -11   13    8 o  223.443   13.234   65.221   7.6258   97.520   20.378   59.961   8.2233  269.419   29.693  213.953   14.932 55.46593 33.23587 
1 1 1  -11   13    9 o  211.466   19.728   59.106   10.682   59.610   21.452   58.939   12.317  205.801   41.670  210.421   22.971 -4.620239 47.58194 
1 1 1  -11   13   10 o  235.509   14.973   72.650   9.0868   37.260   20.201   81.627   10.174  161.677   46.027  249.532   15.823 -87.85570 48.67085 
1 1 1  -11   13   11 o  307.687   11.826  123.215   9.4257  107.400   22.058  126.748   10.425  281.841   30.712  311.922   12.903 -30.08054 33.31202 
1 1 1  -11   13   12 o  156.731   30.069   33.901   11.764   44.890   18.611   26.590   15.181  177.308   41.292  137.492   40.131 39.81627 57.58040 
1 1 1  -11   13   13 o  165.273   19.599   36.412   8.2271   69.780   21.066   30.407   8.9368  223.102   37.803  149.768   23.835 73.33463 44.68962 
1 1 1  -11   13   14 o  161.020   15.875   34.279   6.5353   42.111   9.7501   27.890   8.8063  177.211   21.694  142.919   24.680 34.29178 32.85901 
1 1 1  -11   13   15 o  215.712   13.058   60.994   7.2621   57.069   10.582   64.488   9.9843  206.959   19.988  220.773   17.605 -13.81396 26.63621 
1 1 1  -11   13   16 o  297.199   11.515  115.237   8.8647  112.481   12.863  117.730   12.233  291.873   17.089  299.023   15.851 -7.149719 23.30821 
1 1 1  -11   13   17 o  147.583   17.333   29.098   6.5000   26.413   9.5720   31.396   8.8546  137.365   27.855  151.619   23.291 -14.25441 36.30902 
1 1 1  -11   13   18 f  249.038   13.607   81.567   8.7442   94.560   14.027   73.308   11.183  265.702   20.540  234.503   18.562 31.19917 27.68457 
1 1 1  -11   13   19 o   75.835   27.056   6.9660   6.7099   3.2369   9.1670   11.270   9.8482   73.146   30.083   93.401   32.835 -20.25516 44.53186 
1 1 1  -11   13   20 o  267.638   12.533   93.963   8.6885  103.059   12.789   86.166   11.841  277.957   17.857  253.954   18.119 24.00290 25.43941 
1 1 1  -11   13   21 o  247.476   12.826   80.681   8.1937   71.150   11.589   90.207   11.586  229.731   19.665  259.960   17.305 -30.22937 26.19481 
1 1 1  -11   13   22 o  108.156   28.264   16.893   8.0063   12.905   9.0183   31.730   17.395   95.955   31.446  141.975   43.335 -46.01994 53.54223 
1 1 1  -11   13   23 o   90.653   29.286   11.536   7.8354   1.9800   16.101   14.502   8.9691   87.275   38.007  100.186   31.208 -12.91056 49.17857 
1 1 1  -11   13   24 o  239.881   13.395   76.281   8.2902   67.315   11.768   85.114   11.681  221.761   20.726  251.115   18.079 -29.35367 27.50303 
1 1 1  -11   13   25 o  186.217   15.632   46.593   7.4706   53.268   10.765   40.391   10.376  196.157   21.540  169.002   24.410 27.15508 32.55522 
1 1 1  -11   13   26 o  332.304   15.966  148.153   13.743   0.0000   0.0000  148.153   13.743  ?   ?   332.304   15.966 0.000000 15.96606 
1 1 1  -11   13   27 o  212.930   14.563   60.932   7.9841   61.034   11.682   60.842   10.937  208.426   21.969  209.172   20.448 -0.7458649 30.01219 
1 1 1  -11   13   28 o  148.853   18.532   30.789   6.9907   43.662   9.7213   17.003   10.060  175.427   21.868  103.736   33.150 71.69069 39.71281 
1 1 1  -11   13   29 o  183.113   17.900   46.446   8.3816   41.130   13.339   49.914   10.774  160.335   33.211  186.272   22.806 -25.93642 40.28734 
1 1 1  -11   13   30 o   51.396   23.619  -3.4039   7.1964   4.7649   9.3852 -15.0600   11.211   72.299   30.148   52.770   25.677 19.52870 39.60104 
1 1 1  -11   13   31 o   44.273   20.992  -6.1661   6.4591 -16.5848   8.7905   6.0594   9.5223   43.355   21.422   74.577   30.664 -31.22173 37.40581 
1 1 1  -11   13   32 o  214.713   28.017   71.623   15.211   81.640   23.045   63.890   20.248  205.117   44.642  181.883   43.554 23.23390 62.36879 
1 1 1  -11   13   33 o  143.038   20.469   29.835   7.3679   21.677   9.7497   40.697   11.250  112.468   31.961  160.093   28.157 -47.62511 42.59488 
1 1 1  -11   13   34 o  119.660   23.564   22.016   7.0439   24.084   11.544   20.789   8.8907  113.484   35.415  110.446   30.206 3.037720 46.54733 
1 1 1  -11   13   35 o   93.471   29.014   15.045   7.7597   11.943   10.694   18.496   11.277   83.643   33.160   97.904   35.060 -14.26090 48.25760 
1 1 1  -11   13   36 o   89.437   29.831   14.355   8.1029   7.0256   12.003   20.492   10.983   74.351   32.585  101.117   34.724 -26.76588 47.61882 
1 1 1  -11   13   37 o   82.839   29.453   12.471   7.9452   17.629   10.820   6.4347   11.705   92.488   34.161   71.780   31.788 20.70858 46.66332 
1 1 1  -11   13   38 o  104.029   28.946   19.917   8.0851   25.407   11.966   15.305   10.967  106.209   36.249   85.454   33.675 20.75478 49.47760 
1 1 1  -11   13   39 o  219.048   24.674   80.141   13.756   63.880   18.590   99.820   20.451  156.268   44.038  215.224   38.077 -58.95628 58.21647 
1 1 1  -11   13   40 o   56.164   25.673   1.1079   8.3502   8.7531   12.378  -5.2766   11.312   71.065   31.992   54.919   26.499 16.14667 41.54163 
1 1 1  -11   13   41 o   51.866   25.496  -9.3454   11.922  -5.0260   17.362 -13.2000   16.401   61.602   30.375   56.400   28.103 5.201714 41.38120 
1 1 1  -11   13   42 o   43.715   21.568  -9.9740   8.8002   8.5276   13.538 -23.5114   11.581   66.613   31.213   42.516   21.502 24.09619 37.90260 
1 1 1  -11   14    1 o  307.800   11.673  123.181   9.3066  112.540   13.449  132.958   12.892  292.927   17.810  319.299   15.587 -26.37112 23.66714 
1 1 1  -11   14    2 o  249.833   11.718   81.158   7.5834   86.440   19.202   80.182   8.2544  253.521   29.809  247.892   12.900 5.628525 32.48035 
1 1 1  -11   14    3 o  382.830   10.413  190.415   10.326  175.600   23.878  193.822   11.452  363.949   25.489  386.113   11.450 -22.16379 27.94267 
1 1 1  -11   14    4 o  828.790   11.154  892.910   23.945  858.600   48.880  903.744   27.467  807.698   23.363  833.341   12.724 -25.64264 26.60348 
1 1 1  -11   14    5 o  189.261   13.748   46.900   6.6936   80.610   19.853   42.576   7.1099  243.752   32.234  180.019   15.396 63.73305 35.72187 
1 1 1  -11   14    6 o  270.607   14.052   95.682   9.8159   52.840   20.178  108.965   11.235  193.506   41.500  288.641   15.079 -95.13472 44.15485 
1 1 1  -11   14    7 o  299.177   11.742  116.446   9.0993  139.900   22.841  112.022   9.9205  323.609   27.509  293.282   13.059 30.32617 30.45124 
1 1 1  -11   14    8 o  386.208   10.860  193.959   10.865  180.400   25.300  197.025   12.030  367.845   26.736  389.086   11.937 -21.24033 29.27937 
1 1 1  -11   14    9 o  281.042   12.262  102.850   8.9263   78.430   22.087  107.618   9.7588  237.884   37.050  287.371   13.110 -49.48680 39.30107 
1 1 1  -11   14   10 f  450.680   10.840  264.243   12.654  213.200   27.390  278.093   14.268  399.535   26.619  462.124   11.919 -62.58881 29.16534 
1 1 1  -11   14   11 o  336.786   18.617  149.423   16.178  141.900   24.669  155.100   21.431  323.974   29.728  341.104   24.416 -17.12949 38.46940 
1 1 1  -11   14   12 o  257.959   14.761   87.290   9.8223   89.390   23.038   86.823   10.859  253.413   36.119  256.885   16.404 -3.472900 39.66962 
1 1 1  -11   14   13 f  383.855   11.318  192.016   11.253  186.500   26.755  193.202   12.404  371.554   28.005  384.791   12.445 -13.23669 30.64529 
1 1 1  -11   14   14 o  304.051   13.925  120.963   10.967  130.300   25.124  118.765   12.189  307.562   32.005  300.465   15.716 7.097321 35.65570 
1 1 1  -11   14   15 o  160.084   16.015   34.007   6.5518   28.159   9.1822   40.072   9.3514  142.750   25.781  172.398   21.401 -29.64740 33.50645 
1 1 1  -11   14   16 f  139.014   17.951   25.940   6.3129   27.039   9.0986   24.920   8.7664  139.453   26.149  133.718   26.246 5.734238 37.04906 
1 1 1  -11   14   17 o  150.333   18.325   30.370   6.9883   32.800   10.574   28.486   9.3115  153.048   27.693  142.969   26.106 10.07794 38.05790 
1 1 1  -11   14   18 o  188.176   25.692   48.930   12.196   0.0000   0.0000   48.930   12.196  ?   ?   188.176   25.692 0.000000 25.69229 
1 1 1  -11   14   19 o  334.413   11.458  146.436   9.9252  151.959   14.649  141.750   13.494  338.590   16.703  327.365   15.914 11.22540 23.07019 
1 1 1  -11   14   20 o  312.791   16.247  130.066   13.119   0.0000   0.0000  130.066   13.119  ?   ?   312.791   16.247 0.000000 16.24736 
1 1 1  -11   14   21 o  269.635   12.491   95.596   8.7240  118.770   13.027   76.751   11.747  298.238   16.932  238.501   19.177 59.73639 25.58272 
1 1 1  -11   14   22 o  126.958   38.448   24.824   13.732   39.760   23.314   16.890   16.992  152.804   50.584  111.411   42.452 41.39280 66.03760 
1 1 1  -11   14   23 o  243.055   13.042   78.229   8.1810   73.091   12.206   82.421   11.023  231.163   20.601  247.467   17.306 -16.30301 26.90492 
1 1 1  -11   14   24 o  210.904   14.166   59.325   7.6940   71.807   11.422   48.957   10.410  229.324   19.411  187.794   21.806 41.52959 29.19403 
1 1 1  -11   14   25 o  110.736   23.292   17.623   6.4692   20.412   9.0594   14.722   9.2409  116.285   29.907   99.172   31.780 17.11354 43.63918 
1 1 1  -11   14   26 o  289.122   12.225  110.806   9.1556  103.562   12.840  118.297   13.058  275.267   18.110  295.042   17.161 -19.77533 24.94875 
1 1 1  -11   14   27 o  188.394   15.740   48.237   7.6105   37.047   11.086   58.210   10.466  157.016   28.299  204.203   20.045 -47.18745 34.67902 
1 1 1  -11   14   28 o   73.284   25.372   7.5055   5.8697   2.7983   7.5594   14.652   9.3146   64.254   26.946   96.587   31.973 -32.33216 41.81337 
1 1 1  -11   14   29 f   87.817   30.824   11.785   8.6774   10.250   12.233   13.340   12.311   87.254   35.169   93.330   35.992 -6.075516 50.32221 
1 1 1  -11   14   30 o   66.132   25.970   5.0426   6.5010   15.905   9.3723  -5.0305   9.0252   98.474   32.047   55.362   25.791 43.11219 41.13587 
1 1 1  -11   14   31 o  134.059   23.379   26.828   7.8232   23.514   11.261   29.918   10.876  115.964   34.751  134.476   31.734 -18.51246 47.06044 
1 1 1  -11   14   32 o  110.164   31.451   20.610   9.4188   22.010   19.513   20.185   10.755  104.342   43.487  106.602   34.297 -2.260521 55.38431 
1 1 1  -11   14   33 o  128.510   23.493   25.240   7.5323   35.993   11.212   16.394   10.169  146.802   30.481   95.971   33.386 50.83074 45.20773 
1 1 1  -11   14   34 o   89.435   29.039   13.660   7.6970   21.325   10.575   5.0240   11.225  106.627   33.978   72.067   31.550 34.55904 46.36662 
1 1 1  -11   14   35 o   88.866   29.311   13.951   7.8304   19.863   11.745   9.2206   10.506   98.691   35.725   76.958   31.978 21.73318 47.94616 
1 1 1  -11   14   36 o   89.742   29.188   14.639   7.7752   12.076   10.945   17.250   11.047   80.956   33.034   91.651   34.385 -10.69531 47.68195 
1 1 1  -11   14   37 o  100.379   29.370   18.752   8.1222   17.382   12.516   19.749   10.675   88.340   35.586   96.201   34.147 -7.860588 49.31905 
1 1 1  -11   14   38 o  119.630   30.159   27.108   9.3432   23.588   13.774   30.108   12.716   95.797   37.743  112.728   37.360 -16.93094 53.10635 
1 1 1  -11   14   39 o  101.834   32.726   22.388   9.7941   17.063   11.931   33.390   17.150   84.474   34.482  101.500   41.375 -17.02594 53.85990 
1 1 1  -11   14   40 o   85.621   32.471   17.142   9.9116   9.2446   11.677   37.500   18.748   70.032   31.335   98.808   41.985 -28.77564 52.38889 
1 1 1  -11   14   41 o   66.366   29.908   8.2261   10.851   20.740   22.321   4.3535   12.417   75.340   36.560   62.690   29.537 12.65049 47.00111 
1 1 1  -11   15    1 o   39.229   19.204 -12.5997   6.5500 -12.7999   10.665 -12.4784   8.2999   56.532   26.854   47.312   22.796 9.219467 35.22448 
1 1 1  -11   15    2 o  359.600   11.477  168.219   10.691  151.736   15.457  183.333   14.802  340.076   17.607  374.777   15.247 -34.70126 23.29165 
1 1 1  -11   15    3 o  474.334   10.273  292.446   12.623  265.700   27.678  299.470   14.184  447.985   23.938  479.795   11.412 -31.80991 26.51933 
1 1 1  -11   15    4 o  448.756   12.658  262.271   14.713  264.000   27.154  261.552   17.506  446.616   23.555  447.618   15.098 -1.001404 27.97851 
1 1 1  -11   15    5 f  151.099   17.272   30.260   6.6386   28.740   18.904   30.473   7.0902  143.684   45.392  151.394   18.462 -7.710205 49.00285 
1 1 1  -11   15    6 o  139.811   18.833   26.089   6.6469   58.840   19.174   21.615   7.0864  205.156   37.461  126.223   22.499 78.93311 43.69803 
1 1 1  -11   15    7 o  101.913   23.953   14.283   6.2164   31.660   18.326   12.023   6.6082  149.169   44.246   93.748   26.198 55.42104 51.42055 
1 1 1  -11   15    8 o  410.326   10.826  219.091   11.506  169.700   25.763  231.399   12.860  355.304   28.225  421.511   11.779 -66.20706 30.58440 
1 1 1  -11   15    9 o   76.132   26.396   7.0412   6.3540   17.040   19.012   5.7840   6.7417  120.866   45.156   73.195   26.978 47.67165 52.60123 
1 1 1  -11   15   10 o  770.820   16.389  778.903   32.722  761.300   46.549  796.100   46.009  757.077   23.737  774.837   22.923 -17.76050 32.99872 
1 1 1  -11   15   11 f  253.251   13.892   84.093   9.0780   65.540   23.331   87.403   9.8546  212.056   43.920  257.990   14.808 -45.93343 46.34885 
1 1 1  -11   15   12 o  200.912   15.637   53.261   8.0739   55.750   22.584   52.896   8.6452  193.686   45.745  199.922   16.851 -6.236069 48.74965 
1 1 1  -11   15   13 o  238.183   14.224   74.584   8.7355   93.870   24.246   71.708   9.3644  256.997   37.528  233.177   15.594 23.81973 40.63916 
1 1 1  -11   15   14 o  217.867   14.960   62.614   8.3914   68.280   22.256   61.675   9.0600  215.737   41.331  215.848   16.325 -0.1115265 44.43845 
1 1 1  -11   15   15 o  287.030   13.218  107.973   9.8274   83.930   25.546  112.149   10.647  237.512   43.110  292.301   14.062 -54.78885 45.34568 
1 1 1  -11   15   16 o  191.281   24.861   50.260   12.027   0.0000   0.0000   50.260   12.027  ?   ?   191.281   24.861 0.000000 24.86123 
1 1 1  -11   15   17 o  271.189   13.538   96.660   9.5102   90.253   12.647  105.000   14.428  259.614   18.936  279.575   20.056 -19.96054 27.58325 
1 1 1  -11   15   18 o  111.582   22.894   17.410   6.3953   22.697   9.3588   12.778   8.7594  125.492   29.320   95.765   30.967 29.72681 42.64515 
1 1 1  -11   15   19 o   69.881   25.677   5.6500   6.1003   10.294   8.7909   1.3365   8.4721   88.482   31.027   66.574   28.253 21.90771 41.96326 
1 1 1  -11   15   20 f  177.352   16.051   42.106   7.2940   47.453   10.757   37.555   9.9239  185.418   22.882  164.148   24.053 21.27011 33.19901 
1 1 1  -11   15   21 f   84.945   30.155   9.4641   8.3252   16.297   9.8165  -8.0390   15.712  105.308   32.624   74.701   34.533 30.60716 47.50607 
1 1 1  -11   15   22 o   43.923   20.575  -5.2814   5.8747  -3.6175   8.6943  -6.6793   7.9691   58.332   26.482   51.288   24.005 7.043701 35.74310 
1 1 1  -11   15   23 o  108.984   23.729   17.046   6.5088   21.462   9.4718   13.094   8.9594  119.531   30.493   94.951   31.354 24.58054 43.73690 
1 1 1  -11   15   24 o  156.618   18.105   33.628   7.2095   25.551   10.308   41.361   10.087  129.565   31.108  170.947   23.393 -41.38133 38.92221 
1 1 1  -11   15   25 o   80.730   26.491   9.3140   6.3995   5.4179   9.0243   13.255   9.0765   74.540   30.150   94.166   31.573 -19.62593 43.65629 
1 1 1  -11   15   26 o  316.996   17.134  137.182   14.017   0.0000   0.0000  137.182   14.017  ?   ?   316.996   17.134 0.000000 17.13435 
1 1 1  -11   15   27 o  103.570   25.431   16.157   6.7724   19.543   9.5468   12.727   9.6088  110.453   31.706   91.375   32.401 19.07787 45.33283 
1 1 1  -11   15   28 o  241.979   17.089   80.815   10.642   81.440   15.179   80.210   14.926  234.542   25.389  233.051   25.122 1.490814 35.71756 
1 1 1  -11   15   29 o  150.330   30.231   35.993   11.364   35.993   11.364   0.0000   0.0000  150.330   30.231  ?   ?  0.000000 30.23132 
1 1 1  -11   15   30 f  152.416   19.894   33.370   7.6667   33.922   10.843   32.819   10.841  145.369   29.798  142.420   30.317 2.948593 42.50952 
1 1 1  -11   15   31 o   86.927   36.073   11.242   13.344   6.0320   19.568   15.770   18.244   86.086   39.332   96.006   41.120 -9.919540 56.90189 
1 1 1  -11   15   32 o   50.400   22.722  -1.1773   6.2700   4.8385   8.1555  -9.8723   9.8048   67.566   28.133   51.457   24.788 16.10986 37.49611 
1 1 1  -11   15   33 o   60.276   25.919   2.5651   7.3005   15.236   10.016 -11.7975   10.663   91.769   33.022   51.770   25.156 39.99849 41.51256 
1 1 1  -11   15   34 o   51.287   23.695  -2.4365   7.3808   8.3378   10.723 -12.1374   10.175   75.689   31.935   49.522   24.177 26.16719 40.05419 
1 1 1  -11   15   35 o  109.843   27.124   20.686   7.6718   21.965   10.561   19.257   11.163  104.384   34.021   96.288   34.831 8.096695 48.68971 
1 1 1  -11   15   36 o   70.150   28.514   7.8311   8.1157   9.0605   12.277   6.8767   10.816   74.891   32.885   70.603   30.938 4.288521 45.15057 
1 1 1  -11   15   37 o   68.766   28.515   7.6027   8.3286  -6.3616   11.754   21.684   11.803   55.931   26.994   96.261   35.655 -40.33037 44.72032 
1 1 1  -11   15   38 o   66.227   29.535   5.8676   10.283   8.3140   13.535   2.5280   15.814   71.538   32.695   67.567   32.265 3.971024 45.93455 
1 1 1  -11   15   39 o   81.865   29.857   14.099   8.2263   0.8986   12.701   23.638   10.797   61.725   29.316   99.160   34.407 -37.43490 45.20258 
1 1 1  -11   15   40 o   62.766   29.526   4.0822   12.318 -10.8500   17.275   19.530   17.571   57.654   28.745   77.571   36.086 -19.91766 46.13569 
1 1 1  -11   15   41 o   53.554   24.925   1.3007   8.3973   0.0313   12.887   2.2373   11.070   57.780   27.977   57.952   27.479 -0.1721840 39.21513 
1 1 1  -11   16    1 o  228.874   14.633   68.690   8.6298   90.428   13.276   52.783   11.357  261.518   19.743  198.718   22.457 62.79970 29.90166 
1 1 1  -11   16    2 o  467.522   10.869  284.423   13.162  289.041   19.238  280.359   18.047  470.078   15.800  463.178   15.042 6.899750 21.81511 
1 1 1  -11   16    3 o  642.185   12.567  537.536   20.905  518.500   36.571  546.776   25.478  626.316   22.542  646.727   15.209 -20.41077 27.19288 
1 1 1  -11   16    4 o  340.219   12.260  150.845   10.804  181.400   23.570  142.716   12.157  368.807   24.817  330.577   14.197 38.22980 28.59066 
1 1 1  -11   16    5 o  446.963   10.425  259.935   12.069  255.900   27.554  260.893   13.426  438.380   24.361  447.545   11.581 -9.164124 26.97388 
1 1 1  -11   16    6 o  159.556   17.317   33.783   7.0422   63.380   20.019   29.603   7.5231  211.996   37.844  148.606   20.056 63.38986 42.83009 
1 1 1  -11   16    7 o  514.072   10.575  344.026   14.081  361.400   32.259  339.936   15.651  521.464   23.883  510.679   11.831 10.78442 26.65269 
1 1 1  -11   16    8 o  403.132   13.864  212.442   14.478  200.000   26.706  217.620   17.229  385.418   26.919  407.289   16.331 -21.87033 31.48542 
1 1 1  -11   16    9 o  491.416   12.459  315.257   15.859  309.000   31.110  317.454   18.435  480.156   25.100  492.454   14.452 -12.29764 28.96333 
1 1 1  -11   16   10 o  349.353   13.424  159.630   12.148  249.400   27.834  138.507   13.502  430.829   25.050  324.739   16.051 106.0897 29.75107 
1 1 1  -11   16   11 o  375.593   11.606  184.151   11.292  198.900   27.315  181.111   12.401  382.461   27.761  372.146   12.864 10.31482 30.59658 
1 1 1  -11   16   12 f  184.378   16.439   45.114   7.7686   82.870   22.433   39.969   8.2811  240.602   37.194  172.805   18.804 67.79704 41.67680 
1 1 1  -11   16   13 o   65.282   25.946   3.3609   6.5619 -11.6400   19.672   5.2389   6.9606   83.437   38.596   71.590   27.196 11.84679 47.21495 
1 1 1  -11   16   14 o   93.906   28.018   12.300   7.3324   0.0000   0.0000   12.300   7.3324  ?   ?    93.906   28.018 0.000000 28.01825 
1 1 1  -11   16   15 o  224.653   18.505   67.553   10.673   0.0000   0.0000   67.553   10.673  ?   ?   224.653   18.505 0.000000 18.50513 
1 1 1  -11   16   16 o  217.862   21.864   64.538   12.172   80.120   25.054   59.723   13.926  228.219   43.975  207.207   26.558 21.01187 51.37258 
1 1 1  -11   16   17 f  103.518   25.959   15.279   6.9483   30.850   22.353   13.614   7.3104  140.033   49.443   97.673   27.647 42.35962 56.64804 
1 1 1  -11   16   18 o  136.389   25.611   26.320   8.7159   13.240   23.123   28.486   9.4100  113.672   47.355  141.568   26.639 -27.89563 54.33339 
1 1 1  -11   16   19 o  151.548   17.778   31.104   6.8461   32.138   10.227   30.264   9.2155  149.909   27.345  146.380   25.215 3.529465 37.19557 
1 1 1  -11   16   20 o  154.275   23.095   33.256   8.9455   37.155   10.383   22.030   17.619  161.945   25.604  120.393   43.728 41.55238 50.67267 
1 1 1  -11   16   21 o  132.699   26.007   25.360   8.6198   33.320   20.964   23.741   9.4562  139.692   47.973  126.684   29.386 13.00822 56.25803 
1 1 1  -11   16   22 o  119.438   22.131   20.192   6.5946   24.570   9.5288   16.168   9.1361  128.449   29.289  103.751   31.347 24.69872 42.90094 
1 1 1  -11   16   23 o   99.795   24.513   14.535   6.2908   18.591   9.4065   11.253   8.4615  110.159   31.424   88.676   30.477 21.48309 43.77567 
1 1 1  -11   16   24 o  141.744   19.538   28.039   6.9831   22.187   10.010   33.586   9.7460  119.234   31.820  151.645   25.731 -32.41036 40.92157 
1 1 1  -11   16   25 o   43.087   20.334  -5.6262   5.9280 -11.8118   8.4791   0.2877   8.2908   46.756   22.653   61.895   27.105 -15.13863 35.32451 
1 1 1  -11   16   26 o  124.737   21.952   22.518   6.8338   15.091   9.4924   30.510   9.8461   97.550   32.276  141.489   27.857 -43.93865 42.63530 
1 1 1  -11   16   27 o  194.289   17.515   52.424   8.7198   62.260   13.874   46.003   11.210  203.001   27.059  175.717   25.364 27.28444 37.08838 
1 1 1  -11   16   28 o   50.688   23.393  -3.5794   7.1659  -2.2127   9.3690  -5.5060   11.123   60.045   27.349   60.955   28.475 -0.9108238 39.48144 
1 1 1  -11   16   29 o  175.315   17.430   43.116   7.8103   46.902   10.772   38.920   11.340  177.065   24.114  156.576   29.030 20.48840 37.73886 
1 1 1  -11   16   30 o  183.352   27.497   52.760   12.656   52.760   12.656   0.0000   0.0000  183.352   27.497  ?   ?  0.000000 27.49660 
1 1 1  -11   16   31 o   63.685   28.180   1.5311   9.1805   9.0500   20.743  -0.3005   10.238   87.975   40.306   63.468   28.784 24.50706 49.52927 
1 1 1  -11   16   32 o   60.818   25.950   2.9288   7.2163  -2.4220   10.291   8.1060   10.122   60.136   27.851   76.051   31.477 -15.91586 42.03000 
1 1 1  -11   16   33 o  108.309   26.877   19.622   7.5047   14.549   11.425   23.472   9.9530   87.777   34.441  112.512   32.396 -24.73545 47.28280 
1 1 1  -11   16   34 o   48.954   22.804  -2.9586   7.0548  -7.4574   9.8729   1.7351   10.084   52.146   25.058   63.226   28.631 -11.07991 38.04800 
1 1 1  -11   16   35 o   59.062   26.355   2.0249   8.2012   6.4084   12.107  -1.6918   11.148   71.117   31.857   60.055   28.199 11.06213 42.54491 
1 1 1  -11   16   36 o   83.521   29.530   13.511   7.9760   13.635   11.031   13.375   11.546   80.780   33.085   80.067   33.418 0.7135239 47.02538 
1 1 1  -11   16   37 f  104.978   32.651   23.480   9.8215   35.950   15.128   14.395   12.913  113.010   40.592   79.455   34.319 33.55534 53.15550 
1 1 1  -11   16   38 o   82.634   31.682   15.298   9.5004   19.913   12.565   9.1390   14.516   86.738   35.394   71.096   32.981 15.64265 48.37800 
1 1 1  -11   16   39 o   76.132   29.908   12.764   8.6253   25.526   12.966   2.6333   11.552   93.122   36.641   60.814   28.603 32.30835 46.48372 
1 1 1  -11   16   40 o   48.726   23.984  -8.3071   10.667   8.3630   22.099 -13.3705   12.179   67.070   33.285   48.316   24.097 18.75373 41.09250 
1 1 1  -11   17    1 o  504.592   10.802  331.611   14.119  308.549   19.858  355.188   20.078  485.192   15.800  520.921   14.880 -35.72916 21.70418 
1 1 1  -11   17    2 o  248.590   14.870   81.173   9.5315   70.384   14.308   89.779   12.780  228.612   24.547  260.339   19.084 -31.72623 31.09265 
1 1 1  -11   17    3 o  297.813   13.482  115.899   10.400  110.050   15.443  120.753   14.069  287.722   20.862  302.416   18.042 -14.69409 27.58160 
1 1 1  -11   17    4 o  534.668   12.897  373.342   17.862  362.100   31.925  378.465   21.550  521.479   23.635  537.341   15.483 -15.86151 28.25439 
1 1 1  -11   17    5 o  369.543   11.181  178.015   10.703  185.600   26.211  176.498   11.725  370.454   27.512  367.714   12.310 2.740143 30.14013 
1 1 1  -11   17    6 o  203.182   15.752   54.492   8.2253   56.770   21.664   54.108   8.8911  196.323   43.723  202.114   17.145 -5.790955 46.96390 
1 1 1  -11   17    7 o  375.325   14.663  184.649   14.256  203.700   27.341  177.536   16.707  387.647   27.405  367.072   17.571 20.57532 32.55425 
1 1 1  -11   17    8 o  522.471   12.655  356.883   17.127  323.600   32.300  369.901   20.201  489.935   25.540  531.056   14.685 -41.12030 29.46058 
1 1 1  -11   17    9 o  206.769   15.338   56.478   8.1565   78.070   22.440   53.190   8.7554  232.712   38.577  200.164   17.049 32.54753 42.17647 
1 1 1  -11   17   10 o  278.309   12.972  101.430   9.3514  131.800   24.062   96.027   10.149  308.453   30.516  270.034   14.564 38.41852 33.81299 
1 1 1  -11   17   11 o  241.966   14.022   77.123   8.7506  108.200   22.743   71.723   9.4805  277.627   32.225  232.776   15.817 44.85086 35.89721 
1 1 1  -11   17   12 o   64.816   25.947   3.1783   6.6091 -24.3700   22.012   5.9078   6.9288   78.880   37.775   73.207   27.278 5.673393 46.59417 
1 1 1  -11   17   13 o  207.838   19.454   58.096   10.351   0.0000   0.0000   58.096   10.351  ?   ?   207.838   19.454 0.000000 19.45395 
1 1 1  -11   17   14 o  390.670   13.389  200.715   13.549  157.200   26.866  215.557   15.690  333.373   31.484  404.080   14.990 -70.70657 34.87041 
1 1 1  -11   17   15 o  105.063   26.990   15.805   7.3844   15.260   23.602   15.864   7.7747  117.613   48.308  105.070   28.043 12.54222 55.85807 
1 1 1  -11   17   16 o  208.641   16.288   58.158   8.7332  109.500   24.149   50.433   9.3672  273.605   34.867  193.146   18.968 80.45889 39.69225 
1 1 1  -11   17   17 o  113.652   26.291   18.555   7.5861  -6.1910   21.972   21.904   8.0832   90.620   41.506  123.783   26.035 -33.16263 48.99549 
1 1 1  -11   17   18 o  175.245   18.500   41.679   8.2710   47.290   22.736   40.824   8.8793  166.274   49.276  172.661   20.237 -6.387253 53.26957 
1 1 1  -11   17   19 o   54.491   24.789  -3.5540   7.6675   3.4820   20.106  -4.7513   8.2942   95.564   42.021   55.183   25.358 40.38118 49.07911 
1 1 1  -11   17   20 o  176.235   30.707   45.918   13.508   36.370   20.988   52.670   17.650  144.386   48.004  182.873   38.479 -38.48669 61.52247 
1 1 1  -11   17   21 o  126.689   21.204   22.565   6.7125   29.218   9.9083   16.922   9.1258  140.751   28.160  105.726   31.188 35.02484 42.02017 
1 1 1  -11   17   22 o  227.223   14.041   69.113   8.2238   64.437   11.987   73.271   11.303  214.502   21.881  230.887   19.070 -16.38472 29.02491 
1 1 1  -11   17   23 o  174.588   23.527   43.673   10.369   0.0000   0.0000   43.673   10.369  ?   ?   174.588   23.527 0.000000 23.52723 
1 1 1  -11   17   24 o  130.005   31.453   26.676   10.477   26.676   10.477   0.0000   0.0000  130.005   31.453  ?   ?  0.000000 31.45275 
1 1 1  -11   17   25 o   97.174   26.297   14.422   6.7804   22.290   10.076   7.9104   9.1662  117.206   32.199   78.814   30.871 38.39260 44.60696 
1 1 1  -11   17   26 o  124.404   23.436   22.944   7.2749   32.050   11.671   17.157   9.3036  139.680   32.814  102.435   31.765 37.24495 45.66991 
1 1 1  -11   17   27 o  186.164   18.542   48.882   8.8223   37.986   11.557   64.100   13.658  154.283   29.999  205.507   26.257 -51.22429 39.86660 
1 1 1  -11   17   28 o  137.022   19.926   27.128   6.8651   29.142   11.121   25.888   8.7263  131.012   32.835  128.417   27.086 2.594803 42.56489 
1 1 1  -11   17   29 o  163.095   18.241   37.891   7.5742   29.841   10.286   47.425   11.194  134.292   30.292  175.799   25.313 -41.50711 39.47582 
1 1 1  -11   17   30 o  176.589   31.959   52.899   14.080   44.560   20.708   60.070   19.202  134.481   47.578  170.559   43.367 -36.07765 64.37664 
1 1 1  -11   17   31 o  107.932   27.015   19.202   7.5349   20.492   10.878   18.012   10.446  103.838   34.562   98.162   33.856 5.675583 48.38127 
1 1 1  -11   17   32 o  125.701   24.471   25.201   7.6811   32.577   12.233   20.401   9.8692  129.382   35.451  103.900   32.795 25.48206 48.29373 
1 1 1  -11   17   33 o  112.752   25.814   21.238   7.3767   19.925   9.7292   23.013   11.314  100.982   32.635  105.050   35.250 -4.067650 48.03699 
1 1 1  -11   17   34 o   73.315   29.294   9.1940   8.4064   3.0536   12.187   14.768   11.611   66.930   30.749   84.216   34.152 -17.28538 45.95503 
1 1 1  -11   17   35 o   60.831   26.326   4.1112   7.6289   6.4488   11.231   2.1087   10.395   68.947   30.799   62.133   28.491 6.814236 41.95603 
1 1 1  -11   17   36 o   75.397   30.047   11.213   8.8219   9.5765   12.484   12.846   12.469   72.532   32.430   77.112   33.514 -4.579758 46.63585 
1 1 1  -11   17   37 o  104.400   35.468   26.766   11.456   27.870   16.197   25.660   16.205   92.412   39.133   89.346   38.518 3.066284 54.90979 
1 1 1  -11   17   38 o   74.745   29.448   12.017   8.3842   22.568   11.997   1.9450   11.722   90.232   35.325   60.343   28.513 29.88832 45.39612 
1 1 1  -11   17   39 o   58.820   28.160   1.4705   12.215   11.490   16.639 -10.2400   17.988   68.801   32.920   57.235   28.657 11.56627 43.64570 
1 1 1  -11   17   40 o   56.979   28.255  -2.8035   15.800   19.520   23.441 -21.3900   21.389   68.745   34.145   54.325   27.653 14.42027 43.93812 
1 1 1  -11   18    1 o  297.763   13.221  116.021   10.197  113.224   14.990  118.431   13.913  291.611   19.964  299.007   18.048 -7.395569 26.91276 
1 1 1  -11   18    2 o  276.103   13.770   99.852   9.8482   75.942   14.140  122.374   13.724  237.301   23.305  304.141   17.494 -66.84068 29.14044 
1 1 1  -11   18    3 o  309.667   13.181  125.505   10.573  125.559   15.839  125.462   14.199  307.045   20.024  307.779   17.888 -0.7336121 26.85059 
1 1 1  -11   18    4 o  289.277   13.816  109.662   10.353  108.640   15.305  110.525   14.056  285.099   20.870  288.363   18.923 -3.264404 28.17184 
1 1 1  -11   18    5 o  103.501   33.118   14.758   10.038   3.3520   21.290   18.018   11.383  102.744   44.223  113.070   35.148 -10.32584 56.48915 
1 1 1  -11   18    6 o  348.232   13.546  158.956   12.219  166.500   26.029  156.824   13.838  347.923   29.150  345.261   15.473 2.662323 33.00220 
1 1 1  -11   18    7 o  214.916   15.368   61.081   8.4988   61.750   22.451   60.969   9.1822  202.338   44.082  214.330   16.670 -11.99261 47.12859 
1 1 1  -11   18    8 o  419.997   11.318  230.558   12.313  223.000   28.285  232.325   13.676  403.608   27.214  421.170   12.536 -17.56143 29.96240 
1 1 1  -11   18    9 o  334.214   12.324  146.318   10.669  100.600   25.045  156.455   11.793  263.100   37.839  345.315   13.184 -82.21509 40.06972 
1 1 1  -11   18   10 o  248.714   14.452   81.702   9.2708  127.300   24.870   74.344   9.9909  299.874   32.540  236.545   16.407 63.32921 36.44191 
1 1 1  -11   18   11 o  143.816   23.404   28.626   8.4188   0.0000   0.0000   28.626   8.4188  ?   ?   143.816   23.404 0.000000 23.40399 
1 1 1  -11   18   12 o  155.661   23.846   33.594   9.3086   0.0000   0.0000   33.594   9.3086  ?   ?   155.661   23.846 0.000000 23.84603 
1 1 1  -11   18   13 o  220.262   15.242   64.488   8.6428   62.250   23.759   64.829   9.2785  196.510   47.257  220.417   16.368 -23.90698 50.01086 
1 1 1  -11   18   14 o  133.701   22.677   24.894   7.5729   57.240   24.398   21.446   7.9664  185.075   49.799  122.673   25.884 62.40158 56.12400 
1 1 1  -11   18   15 o  372.309   12.044  182.247   11.615  162.700   27.023  186.676   12.863  336.546   31.360  376.241   13.199 -39.69479 34.02418 
1 1 1  -11   18   16 o  204.253   16.335   55.949   8.5700   39.630   24.029   58.327   9.1733  151.290   51.368  208.210   17.162 -56.91925 54.15945 
1 1 1  -11   18   17 o   60.845   25.952   0.9374   7.2121 -24.9700   20.118   4.7580   7.7256   71.857   34.833   71.102   28.186 0.7543335 44.80826 
1 1 1  -11   18   18 o  147.193   21.359   30.170   7.9056   1.7370   19.713   35.619   8.6300   92.353   41.059  160.146   21.335 -67.79379 46.27097 
1 1 1  -11   18   19 o  100.783   37.660   14.364   13.225   20.930   20.748   9.8700   17.164  117.278   46.286   97.670   40.753 19.60806 61.67039 
1 1 1  -11   18   20 o  186.443   17.756   47.467   8.4715   35.460   21.973   49.563   9.1813  139.057   49.030  189.901   18.917 -50.84424 52.55234 
1 1 1  -11   18   21 o  192.808   19.164   51.381   9.4444   51.630   23.205   51.331   10.340  164.214   50.036  191.393   21.212 -27.17877 54.34657 
1 1 1  -11   18   22 o  127.450   19.026   22.759   6.0886   21.234   8.7378   24.197   8.4889  117.662   28.883  127.230   26.613 -9.568863 39.27457 
1 1 1  -11   18   23 o  212.419   14.469   61.032   7.9138   66.928   11.763   56.158   10.696  217.410   21.156  199.100   21.060 18.30977 29.85134 
1 1 1  -11   18   24 o   61.149   24.755   3.4403   6.0890   7.8399   9.3135   0.1558   8.0471   78.598   31.014   60.201   26.524 18.39710 40.80912 
1 1 1  -11   18   25 o   85.387   27.835   11.256   7.0695   17.260   11.450   7.5570   8.9872  100.832   35.406   76.845   30.420 23.98795 46.67973 
1 1 1  -11   18   26 o  144.597   22.905   30.985   8.2930   25.415   11.291   37.510   12.220  120.973   34.401  150.530   32.306 -29.55693 47.19212 
1 1 1  -11   18   27 o  118.709   24.752   21.665   7.3647   24.756   10.768   18.949   10.095  119.280   33.482  104.423   33.189 14.85733 47.14418 
1 1 1  -11   18   28 o   78.845   28.149   9.6597   7.2645   9.9888   10.475   9.3548   10.083   81.690   32.679   80.050   32.048 1.640480 45.77087 
1 1 1  -11   18   29 o  173.456   22.327   45.193   9.7988   44.954   11.419   45.860   19.082  167.729   27.216  140.709   45.724 27.02020 53.21123 
1 1 1  -11   18   30 o  231.150   18.625   77.378   11.057   42.450   23.040   87.830   12.603  121.048   48.450  244.248   20.099 -123.2001 52.45365 
1 1 1  -11   18   31 o  113.368   27.123   21.599   7.8579   33.524   12.082   12.859   10.344  132.067   34.822   84.166   32.843 47.90138 47.86688 
1 1 1  -11   18   32 o   60.922   26.114   3.6205   7.3690  -4.1940   9.9668   13.043   10.944   55.545   26.260   82.737   33.295 -27.19162 42.40427 
1 1 1  -11   18   33 f  174.190   21.262   47.301   9.3944   38.879   13.780   54.614   12.841  131.754   38.172  175.018   29.364 -43.26387 48.15947 
1 1 1  -11   18   34 o   99.351   29.355   18.933   8.0787   26.477   12.089   12.843   10.860  105.802   36.424   78.955   32.636 26.84675 48.90594 
1 1 1  -11   18   35 o   81.164   30.849   13.841   8.9592   21.524   12.941   6.7701   12.415   90.644   36.301   68.679   31.359 21.96522 47.97030 
1 1 1  -11   18   36 o  124.890   35.307   35.847   11.930   31.110   16.599   40.910   17.159   95.671   40.011  109.393   42.406 -13.72197 58.30262 
1 1 1  -11   18   37 o  109.825   28.261   23.741   8.0863   19.085   11.501   28.292   11.372   84.405   34.072  105.300   35.340 -20.89520 49.09042 
1 1 1  -11   18   38 o   54.985   25.360   2.1024   8.4017   13.034   12.556  -6.7613   11.306   71.175   32.115   51.055   25.042 20.11946 40.72422 
1 1 1  -11   18   39 o   51.878   25.247  -3.0362   10.848 -13.5700   23.155  -0.0740   12.279   57.649   29.288   55.885   27.119 1.764492 39.91528 
1 1 1  -11   19    1 o  107.521   28.016   16.401   7.8815   10.843   12.257   20.319   10.291   96.310   36.203  118.728   32.510 -22.41800 48.65706 
1 1 1  -11   19    2 o   94.143   31.463   11.920   9.0131   26.290   18.977   7.7336   10.242  133.740   45.649   85.647   32.881 48.09292 56.25842 
1 1 1  -11   19    3 o  141.985   36.117   29.666   13.314   28.350   19.390   30.840   18.315  137.668   46.147  142.580   44.627 -4.912338 64.19550 
1 1 1  -11   19    4 o  299.471   20.677  120.428   15.941  129.900   23.305  112.100   21.853  305.392   29.842  283.264   30.251 22.12781 42.49281 
1 1 1  -11   19    5 o   91.120   33.343   10.146   10.271   27.310   19.862   3.8799   12.000  135.376   46.684   82.052   34.143 53.32361 57.83657 
1 1 1  -11   19    6 o  474.651   11.120  294.675   13.671  222.300   29.832  313.915   15.382  400.239   28.971  489.446   12.132 -89.20676 31.40883 
1 1 1  -11   19    7 o  437.161   11.329  250.148   12.829  262.300   30.258  247.485   14.165  436.453   26.895  434.290   12.591 2.162964 29.69653 
1 1 1  -11   19    8 o  365.804   12.924  175.798   12.246   0.0000   0.0000  175.798   12.246  ?   ?   365.804   12.924 0.000000 12.92439 
1 1 1  -11   19    9 o  240.127   17.930   77.223   11.072   0.0000   0.0000   77.223   11.072  ?   ?   240.127   17.930 0.000000 17.93008 
1 1 1  -11   19   10 o  179.430   19.267   43.589   8.8148   39.940   24.181   44.148   9.4662  154.969   51.526  180.012   20.677 -25.04210 55.52006 
1 1 1  -11   19   11 o  288.318   13.177  109.502   9.8412   91.470   26.490  112.389   10.600  241.887   43.895  291.768   14.025 -49.88164 46.08155 
1 1 1  -11   19   12 o  179.770   18.264   43.687   8.3868   48.610   23.753   42.986   8.9642  169.051   50.426  177.661   19.817 -8.609970 54.18042 
1 1 1  -11   19   13 o  275.184   13.974  100.381   9.9282  132.800   27.622   95.572   10.639  298.229   36.520  267.835   15.400 30.39450 39.63409 
1 1 1  -11   19   14 o  133.384   23.974   25.143   7.9787   18.090   23.138   26.095   8.5001  117.854   48.053  135.405   25.161 -17.55103 54.24131 
1 1 1  -11   19   15 o  230.620   15.788   71.238   9.3749   79.620   25.015   69.869   10.112  220.248   45.358  227.645   17.277 -7.397339 48.53664 
1 1 1  -11   19   16 o  290.987   13.464  112.192   10.148  107.400   23.525  113.288   11.249  266.875   34.864  291.289   14.959 -24.41370 37.93814 
1 1 1  -11   19   17 o  135.307   23.609   26.072   7.9736   42.060   22.781   23.839   8.5119  151.897   49.989  127.782   26.582 24.11497 56.61747 
1 1 1  -11   19   18 o  159.470   29.858   37.981   11.880   46.740   21.915   34.336   14.138  159.968   48.599  146.121   37.243 13.84624 61.22864 
1 1 1  -11   19   19 o  150.324   21.646   31.904   8.1854   28.810   19.410   32.573   9.0275  127.368   45.952  150.589   23.945 -23.22132 51.81669 
1 1 1  -11   19   20 o  107.025   26.695   17.212   7.3759   43.620   19.128   12.599   7.9942  154.738   45.013   91.530   29.582 63.20712 53.86379 
1 1 1  -11   19   21 f   78.907   28.287   8.7039   7.3431   17.120   20.006   7.3936   7.8941  105.785   44.057   76.077   28.948 29.70826 52.71579 
1 1 1  -11   19   22 o   96.894   27.847   14.539   7.3606   23.560   21.485   13.339   7.8348  113.051   46.223   92.658   29.217 20.39243 54.68240 
1 1 1  -11   19   23 o  110.533   29.167   19.431   8.4724  -8.7260   22.165   24.249   9.1687   80.531   38.384  123.907   29.068 -43.37510 48.14864 
1 1 1  -11   19   24 o   53.158   23.253   0.2209   6.0870  -1.2590   8.2941   1.9486   8.9613   58.050   26.156   65.265   28.389 -7.214787 38.60110 
1 1 1  -11   19   25 o   76.267   28.745   8.3498   7.7373  -4.3727   10.275   25.010   11.758   59.328   27.598  118.222   35.528 -58.89424 44.98764 
1 1 1  -11   19   26 o   71.736   27.386   7.1279   7.0799  -0.6212   10.234   14.240   9.8046   63.561   28.808   91.649   32.704 -28.08754 43.58280 
1 1 1  -11   19   27 o  147.760   20.601   32.106   7.6705   31.648   10.767   32.579   10.930  136.724   31.103  138.714   31.179 -1.989853 44.03981 
1 1 1  -11   19   28 o  152.007   20.695   34.259   7.9367   42.921   11.480   26.327   10.985  162.055   28.381  119.874   33.877 42.18106 44.19432 
1 1 1  -11   19   29 o  114.395   39.902   28.736   14.530   27.920   21.875   29.380   19.438  103.096   44.598  107.239   43.920 -4.143082 62.59350 
1 1 1  -11   19   30 o  112.810   27.686   21.726   8.0299   25.600   11.298   17.771   11.415  113.237   34.987   93.787   34.999 19.44986 49.48703 
1 1 1  -11   19   31 o  141.933   22.905   31.934   8.1344   34.177   11.095   29.327   11.962  134.961   32.189  118.150   35.907 16.81084 48.22267 
1 1 1  -11   19   32 o  104.663   30.264   20.923   8.6698   6.1718   12.750   33.607   11.824   70.711   32.090  127.197   34.853 -56.48616 47.37647 
1 1 1  -11   19   33 o   79.406   28.965   12.162   7.7424   0.0804   11.880   21.083   10.208   61.594   28.981   97.957   33.480 -36.36304 44.28152 
1 1 1  -11   19   34 o   86.550   30.795   15.895   8.6874   12.538   12.480   19.051   12.101   75.868   33.239   86.961   35.004 -11.09321 48.27111 
1 1 1  -11   19   35 o   81.190   31.819   15.191   9.7422   8.0470   15.517   19.840   12.517   69.586   32.857   85.645   35.179 -16.05823 48.13705 
1 1 1  -11   19   36 o   62.677   27.802   6.1083   8.9891   9.3663   11.781   1.5690   13.906   68.410   30.966   61.732   29.683 6.678204 42.89490 
1 1 1  -11   19   37 o   61.411   27.023   6.3931   8.3281   13.744   13.223   1.5596   10.722   71.453   32.524   57.197   27.099 14.25554 42.33348 
1 1 1  -11   19   38 o   67.632   31.600   12.819   13.710   29.560   21.292   0.9625   17.918   75.109   36.270   60.125   29.861 14.98467 46.98061 
1 1 1  -11   20    1 o   90.569   33.964   9.7704   10.776   0.6481   13.073   29.110   19.034   79.182   34.365  137.180   45.720 -57.99828 57.19479 
1 1 1  -11   20    2 o  177.158   20.613   42.680   9.2825   46.552   14.042   39.674   12.371  179.968   31.256  166.616   29.756 13.35229 43.15519 
1 1 1  -11   20    3 o  305.139   13.530  122.579   10.694  115.329   15.736  128.802   14.578  292.033   20.942  310.265   18.220 -18.23193 27.75815 
1 1 1  -11   20    4 o  285.679   14.841  108.105   10.944  109.097   16.164  107.265   14.872  283.147   22.217  281.741   20.519 1.406525 30.24278 
1 1 1  -11   20    5 o  422.331   14.004  235.252   15.320  213.800   27.171  245.252   18.550  392.484   26.888  429.600   16.670 -37.11600 31.63603 
1 1 1  -11   20    6 o  292.751   27.246  119.700   20.424   0.0000   0.0000  119.700   20.424  ?   ?   292.751   27.246 0.000000 27.24590 
1 1 1  -11   20    7 o  375.313   15.157  186.580   14.735   0.0000   0.0000  186.580   14.735  ?   ?   375.313   15.157 0.000000 15.15674 
1 1 1  -11   20    8 o  158.606   21.556   34.648   8.6265   57.630   22.104   30.519   9.3695  188.751   45.698  146.971   25.538 41.77922 52.34935 
1 1 1  -11   20    9 f  125.273   23.692   22.119   7.4065   13.710   22.168   23.175   7.8580  112.181   46.519  127.929   24.607 -15.74737 52.62642 
1 1 1  -11   20   10 o  207.309   15.876   57.501   8.4606   61.000   24.348   57.020   9.0228  189.929   49.122  205.927   17.069 -15.99820 52.00360 
1 1 1  -11   20   11 o   83.157   27.456   9.5397   6.8702   66.550   22.871   3.8854   7.2028  202.227   44.838   67.596   27.078 134.6311 52.37984 
1 1 1  -11   20   12 o  143.078   21.479   28.469   7.7145   4.9290   22.438   31.625   8.2153  100.783   44.351  150.855   21.644 -50.07185 49.35072 
1 1 1  -11   20   13 o  254.980   14.875   86.791   9.7816   92.840   26.880   85.867   10.502  237.441   45.359  252.968   16.110 -15.52675 48.13485 
1 1 1  -11   20   14 o   63.099   26.564   1.8441   7.3933 -23.8600   21.398   5.3287   7.8785   74.650   36.123   72.501   28.551 2.148674 46.04392 
1 1 1  -11   20   15 o  159.596   20.261   35.316   8.1870   42.680   23.483   34.297   8.7351  151.696   50.785  156.242   22.208 -4.545959 55.42852 
1 1 1  -11   20   16 o  245.969   14.832   81.166   9.4059  104.900   24.805   77.180   10.165  256.868   38.464  238.837   16.532 18.03078 41.86614 
1 1 1  -11   20   17 o   76.776   32.994   3.1710   11.817   3.8650   18.741   2.7130   15.224   90.606   40.169   83.185   36.572 7.421150 54.32373 
1 1 1  -11   20   18 o  206.160   18.926   58.788   9.9941   7.8810   23.842   69.640   11.008  100.195   44.807  224.352   19.125 -124.1565 48.71746 
1 1 1  -11   20   19 o  180.019   18.124   44.864   8.3363   60.180   23.723   42.706   8.9042  174.264   49.967  174.349   20.083 -0.8489990E-01 53.85199 
1 1 1  -11   20   20 o   81.370   28.188   9.6937   7.2451   13.900   21.068   9.1295   7.7157  101.082   43.748   80.113   28.962 20.96950 52.46562 
1 1 1  -11   20   21 o   80.839   27.750   9.7279   7.0140  -3.5930   19.381   11.735   7.5240   80.446   37.582   87.237   28.729 -6.790565 47.30555 
1 1 1  -11   20   22 o  166.406   18.844   39.180   7.9793   35.930   20.591   39.755   8.6556  128.587   47.186  166.374   20.519 -37.78687 51.45455 
1 1 1  -11   20   23 o  163.020   21.523   38.804   8.8662   0.0000   0.0000   38.804   8.8662  ?   ?   163.020   21.523 0.000000 21.52271 
1 1 1  -11   20   24 o   55.966   25.397  -1.5890   7.9853  -1.2920   19.345  -1.6500   8.7670   79.257   37.193   58.269   26.507 20.98827 45.67242 
1 1 1  -11   20   25 o   70.720   28.535   6.2787   8.0621   1.0260   19.651   7.3417   8.8403   80.527   37.692   74.233   29.906 6.294228 48.11494 
1 1 1  -11   20   26 o  100.325   26.471   16.339   6.9789   13.517   10.039   18.979   9.7089   88.350   32.851  102.955   32.530 -14.60501 46.23194 
1 1 1  -11   20   27 o  101.132   27.748   17.162   7.4884   10.513   10.982   22.940   10.237   81.104   33.091  111.753   33.052 -30.64879 46.77027 
1 1 1  -11   20   28 o  131.192   39.680   36.864   14.633   41.740   22.022   33.010   19.581  119.012   47.459  110.926   44.571 8.086739 65.10691 
1 1 1  -11   20   29 o   81.263   28.711   11.582   7.5385  -0.3201   10.236   25.691   11.144   61.019   28.088  113.130   34.713 -52.11152 44.65347 
1 1 1  -11   20   30 o  157.114   21.781   38.592   8.6259   47.144   12.369   30.496   12.035  161.206   30.744  119.951   35.920 41.25490 47.28034 
1 1 1  -11   20   31 f   73.373   28.732   9.6019   7.9385   24.155   11.570  -3.3457   10.913  102.986   35.623   57.158   27.155 45.82854 44.79292 
1 1 1  -11   20   32 o   67.551   27.455   7.6645   7.5228  -9.4773   11.926   18.993   9.6950   53.145   25.994   93.304   32.591 -40.15953 41.68755 
1 1 1  -11   20   33 o  132.925   26.806   31.958   8.9113   25.223   12.682   38.526   12.524   96.917   36.736  129.231   36.050 -32.31422 51.46952 
1 1 1  -11   20   34 o  125.950   30.941   32.548   10.022   48.130   16.335   23.143   12.691  124.477   42.354   90.425   36.037 34.05191 55.61017 
1 1 1  -11   20   35 o   45.994   22.458  -7.3903   8.7914 -18.2545   11.048   11.370   14.517   44.067   22.119   70.182   32.700 -26.11451 39.47818 
1 1 1  -11   20   36 o   51.879   24.402  -0.0497   8.4098   2.2573   12.834  -1.7859   11.133   59.526   28.595   54.320   26.230 5.206245 38.80312 
1 1 1  -11   20   37 o   56.517   25.792   4.3512   8.3843   6.6746   9.9974  -1.1570   15.393   60.647   27.858   57.360   28.343 3.287613 39.74143 
1 1 1  -11   20   38 o   59.696   29.273   6.5671   15.416 -10.3100   23.884   18.620   20.184   56.217   28.671   65.634   32.435 -9.416924 43.29059 
1 1 1  -11   21    1 o  190.050   26.149   50.859   12.532   51.850   19.660   50.180   16.264  180.657   42.689  182.835   35.623 -2.177505 55.59966 
1 1 1  -11   21    2 o   96.767   35.358   12.427   11.544 -10.7700   19.067   25.850   14.505   80.386   37.461  129.062   39.603 -48.67559 54.51353 
1 1 1  -11   21    3 o  202.326   23.755   56.834   12.213   53.840   19.369   58.810   15.735  184.970   41.451  201.229   31.198 -16.25879 51.88004 
1 1 1  -11   21    4 f  221.773   20.206   66.992   11.480   59.791   14.792   77.900   18.205  204.452   28.723  231.987   31.077 -27.53467 42.31721 
1 1 1  -11   21    5 o   47.958   23.115 -11.8236   8.5527 -15.4371   13.446  -9.3682   11.084   61.548   29.487   59.752   28.076 1.795597 40.71581 
1 1 1  -11   21    6 o  131.919   28.616   25.383   9.4972   36.368   14.370   16.865   12.655  153.785   36.603  107.472   37.252 46.31327 52.22543 
1 1 1  -11   21    7 o   99.410   33.317   14.246   10.107   22.130   22.611   12.278   11.299  122.744   48.359   95.592   34.972 27.15139 59.67933 
1 1 1  -11   21    8 o  206.450   15.272   57.013   8.1088   33.280   22.654   60.501   8.6842  139.642   49.725  212.424   15.898 -72.78221 52.20430 
1 1 1  -11   21    9 o  189.794   16.985   48.644   8.2618   27.850   23.656   51.533   8.8170  130.415   49.995  195.079   17.639 -64.66383 53.01556 
1 1 1  -11   21   10 o   71.123   27.495   5.4063   7.1978 -11.0900   22.476   7.2915   7.5979   85.711   40.179   77.092   28.596 8.618416 49.31670 
1 1 1  -11   21   11 o  102.729   26.663   15.487   7.1569   6.9790   21.444   16.553   7.5922  100.225   43.749  105.940   27.445 -5.715065 51.64499 
1 1 1  -11   21   12 o   78.418   28.174   8.0717   7.2879   30.570   22.589   5.4579   7.6996  132.084   49.246   72.168   28.286 59.91528 56.79143 
1 1 1  -11   21   13 o  227.477   15.558   69.664   9.1120   27.270   23.102   77.474   9.9159  125.976   49.102  239.642   16.067 -113.6654 51.66373 
1 1 1  -11   21   14 o  223.233   15.660   67.259   8.9981   84.730   24.167   64.447   9.6952  224.377   43.147  217.502   17.353 6.875717 46.50600 
1 1 1  -11   21   15 o  186.603   23.415   49.662   11.069   38.290   20.639   54.253   13.114  142.906   47.608  192.309   27.076 -49.40344 54.76885 
1 1 1  -11   21   16 o  151.448   37.117   37.898   14.447   39.780   22.827   36.640   18.660  141.231   49.954  140.772   45.165 0.4595490 67.34491 
1 1 1  -11   21   17 o  140.011   21.821   28.103   7.6558   20.260   22.906   29.089   8.1229  111.034   46.752  141.830   22.890 -30.79544 52.05428 
1 1 1  -11   21   18 o  199.904   16.671   54.950   8.5537   27.760   21.355   60.146   9.3352  119.244   46.991  208.636   17.433 -89.39178 50.12097 
1 1 1  -11   21   19 o  101.879   27.649   16.214   7.4830 -19.2700   20.920   21.420   8.0131   72.122   35.089  117.960   26.831 -45.83767 44.17184 
1 1 1  -11   21   20 o  109.093   26.741   18.547   7.4979   16.300   22.152   18.838   7.9682  101.081   44.285  109.084   28.045 -8.002434 52.41794 
1 1 1  -11   21   21 o  117.695   27.057   21.791   8.0763 -23.6900   22.369   28.608   8.6605   70.624   34.757  136.780   25.378 -66.15620 43.03564 
1 1 1  -11   21   22 o   58.588   26.546  -1.2811   8.6834   0.0000   0.0000  -1.2811   8.6834  ?   ?    58.588   26.546 0.000000 26.54615 
1 1 1  -11   21   23 o   67.824   27.524   5.4004   7.5479   46.890   21.410  -0.4881   8.0658  138.581   48.430   57.642   25.899 80.93863 54.92005 
1 1 1  -11   21   24 o   70.548   27.456   6.8913   7.2149  -3.9190   20.835   8.3642   7.6907   77.268   36.935   74.916   28.556 2.352493 46.68702 
1 1 1  -11   21   25 o  137.660   22.849   28.990   7.8619   33.500   22.380   28.355   8.3971  111.531   46.536  134.045   25.107 -22.51372 52.87661 
1 1 1  -11   21   26 o   75.074   27.992   8.9661   7.2991   32.030   21.675   6.0161   7.7518  107.837   45.446   68.073   27.791 39.76406 53.26957 
1 1 1  -11   21   27 o  101.661   38.204   22.923   13.648   36.120   20.327   12.090   18.417  112.277   45.307   84.301   38.376 27.97598 59.37577 
1 1 1  -11   21   28 o   71.080   29.645   7.4976   9.0764   38.860   17.248  -4.5125   10.674  121.091   43.360   56.826   26.956 64.26505 51.05595 
1 1 1  -11   21   29 o   56.649   25.221   1.6600   7.4645   0.6797   10.688   2.5933   10.429   61.688   28.505   63.694   28.950 -2.005566 40.62825 
1 1 1  -11   21   30 o   66.402   27.466   6.8606   7.6999   2.9775   11.428   10.089   10.420   64.411   29.660   73.954   31.357 -9.542885 43.16216 
1 1 1  -11   21   31 o  110.056   29.329   23.457   8.5123   26.304   12.943   21.287   11.300   99.780   37.262   93.619   34.845 6.161316 51.01568 
1 1 1  -11   21   32 o  117.072   28.413   26.288   8.5290   21.515   12.065   31.056   12.059   89.932   35.359  111.391   36.356 -21.45874 50.71447 
1 1 1  -11   21   33 o  102.726   32.912   24.619   9.9115   58.100   16.580   6.0012   12.364  141.985   42.080   64.953   30.234 77.03227 51.81523 
1 1 1  -11   21   34 o   72.676   30.405   12.368   9.5905   2.0248   12.098   29.860   15.733   59.584   28.388   89.694   38.295 -30.11005 47.66932 
1 1 1  -11   21   35 o   58.996   26.186   5.5020   7.9862   6.1535   12.921   5.0993   10.159   62.478   29.643   59.922   27.724 2.555744 40.58788 
1 1 1  -11   21   36 o   79.186   30.165   16.290   8.5780   12.722   12.868   19.144   11.508   66.943   31.054   77.213   32.854 -10.27002 45.20708 
1 1 1  -11   21   37 o   57.599   27.884   5.0554   12.786   6.6330   22.633   4.3160   15.495   60.135   30.371   57.975   28.607 2.160343 41.72231 
1 1 1  -11   22    1 o   62.967   27.310   0.2351   8.2456   7.8601   13.511  -4.2906   10.409   89.694   36.662   63.196   28.801 26.49771 46.62142 
1 1 1  -11   22    2 o  202.338   18.815   55.763   9.7485   52.936   14.656   58.007   13.056  189.629   30.901  202.439   25.461 -12.81006 40.03863 
1 1 1  -11   22    3 o  207.996   17.734   58.609   9.4631   63.305   14.238   54.893   12.665  210.655   26.692  196.815   25.438 13.84004 36.87241 
1 1 1  -11   22    4 f  348.171   13.160  160.459   11.869  146.400   17.367  172.781   16.258  326.950   20.612  358.325   17.516 -31.37430 27.04939 
1 1 1  -11   22    5 o  207.599   17.672   58.435   9.4124   71.993   15.347   50.260   11.917  224.321   26.952  188.259   25.060 36.06265 36.80210 
1 1 1  -11   22    6 o  327.442   13.765  142.339   11.675  140.740   18.033  143.493   15.319  319.033   21.955  325.328   18.253 -6.295166 28.55133 
1 1 1  -11   22    7 o  359.840   15.372  173.069   14.328  164.700   28.962  175.781   16.487  330.233   34.361  360.883   17.637 -30.64938 38.62326 
1 1 1  -11   22    8 o  151.804   19.547   31.859   7.5077   32.010   23.231   31.841   7.9334  134.057   49.949  151.146   20.815 -17.08911 54.11234 
1 1 1  -11   22    9 o  131.595   22.922   24.660   7.5295   14.990   22.633   25.864   7.9843  109.582   46.324  134.382   23.809 -24.79955 52.08450 
1 1 1  -11   22   10 o  128.880   23.472   23.832   7.5471   25.160   22.859   23.670   7.9954  122.314   48.485  127.591   25.086 -5.277046 54.59069 
1 1 1  -11   22   11 o  168.164   18.254   38.903   7.8237   39.450   20.397   38.809   8.4716  146.455   47.244  167.018   19.978 -20.56230 51.29471 
1 1 1  -11   22   12 o   86.228   29.009   10.818   7.6626  -3.5590   21.360   12.941   8.2090   87.116   40.269   92.863   29.973 -5.747551 50.19950 
1 1 1  -11   22   13 o   98.445   27.420   14.656   7.2516   23.550   19.276   13.190   7.8266  116.605   45.018   93.320   29.167 23.28535 53.64034 
1 1 1  -11   22   14 o   67.610   29.999  -0.0546   10.473   24.280   21.384  -7.7340   12.013  116.551   46.668   62.403   29.292 54.14855 55.09885 
1 1 1  -11   22   15 o   75.427   28.962   7.1993   7.9465  -9.7850   19.901   10.421   8.6674   77.722   36.851   84.731   30.686 -7.008339 47.95430 
1 1 1  -11   22   16 o  246.773   14.545   82.562   9.2561   77.020   22.663   83.671   10.140  205.011   43.994  247.354   15.911 -42.34245 46.78266 
1 1 1  -11   22   17 o  159.244   19.380   35.943   7.8291   36.290   22.793   35.896   8.3363  128.141   49.086  158.093   20.867 -29.95178 53.33684 
1 1 1  -11   22   18 o  142.270   22.334   29.735   7.9596   22.050   22.725   30.809   8.4979  107.212   45.905  143.893   23.619 -36.68075 51.62512 
1 1 1  -11   22   19 o   87.790   28.711   12.306   7.5190   15.590   20.116   11.773   8.1066   97.546   42.482   86.054   29.816 11.49149 51.90069 
1 1 1  -11   22   20 o  166.720   19.694   40.098   8.3407   0.0000   0.0000   40.098   8.3407  ?   ?   166.720   19.694 0.000000 19.69395 
1 1 1  -11   22   21 o  171.510   23.682   44.575   10.241   0.0000   0.0000   44.575   10.241  ?   ?   171.510   23.682 0.000000 23.68246 
1 1 1  -11   22   22 o   65.107   26.757   4.6785   7.2456   23.370   19.349   1.6301   7.8141  102.671   43.086   60.188   26.337 42.48326 50.49770 
1 1 1  -11   22   23 o   64.273   26.762   4.3607   7.3802  -5.5150   20.016   5.9146   7.9396   74.192   35.659   68.742   28.102 5.450035 45.40132 
1 1 1  -11   22   24 o   84.171   28.233   12.000   7.2578   45.820   19.848   6.7793   7.7979  133.128   46.624   69.980   28.124 63.14841 54.44995 
1 1 1  -11   22   25 o  100.913   27.779   17.496   7.4909   0.2616   18.102   21.057   8.2285   73.984   35.098  110.296   28.572 -36.31276 45.25694 
1 1 1  -11   22   26 o   81.481   31.252   12.085   9.2470   21.180   17.510   8.5668   10.889   93.241   40.119   74.864   31.909 18.37753 51.26071 
1 1 1  -11   22   27 o  173.523   23.594   48.377   10.330   40.450   21.023   50.900   11.861  110.690   45.544  172.467   27.471 -61.77623 53.18757 
1 1 1  -11   22   28 o   82.459   29.216   12.976   7.8111   21.130   21.968   11.796   8.3573   85.806   40.061   78.669   29.820 7.137260 49.94181 
1 1 1  -11   22   29 o   65.518   28.659   5.9997   9.2450   48.910   22.919  -2.3389   10.103  107.431   46.053   55.699   26.365 51.73263 53.06582 
1 1 1  -11   22   30 o   59.279   27.079   2.5774   9.2695 -20.5100   20.453   8.5454   10.399   58.750   29.570   69.148   30.317 -10.39833 42.34983 
1 1 1  -11   22   31 o   94.883   28.492   18.169   7.5646   15.480   9.9842   21.792   11.591   80.625   32.017   90.386   34.905 -9.761459 47.36487 
1 1 1  -11   22   32 o   46.186   22.423  -6.1326   8.4212  -6.7154   12.568  -5.6577   11.344   53.692   26.349   52.533   25.621 1.158569 36.75167 
1 1 1  -11   22   33 o  101.392   34.863   27.765   11.073   25.630   15.199   30.180   16.164   83.609   36.655   87.394   38.070 -3.784515 52.84788 
1 1 1  -11   22   34 o   58.768   26.449   5.4933   8.4529  -4.8015   12.632   13.840   11.375   53.123   26.139   70.763   31.337 -17.64088 40.80764 
1 1 1  -11   22   35 o   54.028   25.093   3.0831   8.4403  -3.7770   12.848   8.2917   11.195   52.737   26.028   61.730   28.746 -8.992405 38.77845 
1 1 1  -11   22   36 o   70.502   30.226   15.442   9.8753   11.469   12.181   23.060   16.869   62.681   29.446   68.996   33.048 -6.314716 44.26359 
1 1 1  -11   23    1 f   44.051   21.653 -15.8886   8.5949  -5.7963   13.226 -23.2661   11.308   68.969   31.813   48.394   23.981 20.57497 39.83871 
1 1 1  -11   23    2 o  250.358   15.740   84.428   10.156   87.941   15.636   81.864   13.356  248.873   24.575  242.562   21.480 6.310303 32.63955 
1 1 1  -11   23    3 o   74.220   29.297   5.8370   8.3137   3.7351   13.214   7.2142   10.696   81.106   34.873   82.085   32.956 -0.9793015 47.98196 
1 1 1  -11   23    4 o  104.815   30.797   16.757   8.9137   20.062   13.480   14.189   11.883  112.108   38.470   98.410   35.885 13.69772 52.60915 
1 1 1  -11   23    5 o  122.866   28.357   22.653   8.8416   37.256   14.265   13.543   11.267  152.258   36.618   96.345   34.972 55.91295 50.63490 
1 1 1  -11   23    6 o  126.400   27.250   23.764   8.6594   12.908   14.151   30.263   10.949   97.350   38.288  140.666   30.893 -43.31625 49.19723 
1 1 1  -11   23    7 o  136.797   26.215   27.545   8.9510   31.185   14.725   25.411   11.273  136.094   39.467  126.553   33.764 9.541107 51.93888 
1 1 1  -11   23    8 o  134.563   31.020   27.985   10.591   69.450   22.844   16.634   11.953  197.875   45.518  103.095   36.177 94.77934 58.14330 
1 1 1  -11   23    9 o  101.337   26.814   15.467   7.1478   24.860   21.214   14.264   7.5916  118.719   46.820   96.892   28.408 21.82722 54.76381 
1 1 1  -11   23   10 o  182.310   17.610   45.771   8.2127   44.220   23.291   45.992   8.7764  147.366   50.568  181.947   18.897 -34.58083 53.98405 
1 1 1  -11   23   11 o  121.544   24.436   21.807   7.4267   13.590   20.996   22.982   7.9400  101.945   43.897  124.191   25.535 -22.24686 50.78363 
1 1 1  -11   23   12 o   77.181   31.752   6.1744   10.217   3.9650   21.544   6.8154   11.605   91.547   41.610   80.814   33.597 10.73296 53.48040 
1 1 1  -11   23   13 o   97.164   37.520   14.909   13.392   2.5230   19.574   25.810   18.362   86.855   39.548  116.700   44.211 -29.84493 59.31824 
1 1 1  -11   23   14 o  206.946   18.158   59.806   9.6355   73.680   22.943   56.835   10.617  195.490   46.064  199.449   20.859 -3.959671 50.56695 
1 1 1  -11   23   15 o  164.050   19.039   38.139   7.9399   26.670   22.017   39.854   8.5128  113.594   46.658  166.948   20.088 -53.35365 50.79897 
1 1 1  -11   23   16 o  170.337   18.622   41.119   8.0827   42.190   18.952   40.881   8.9361  141.558   45.527  167.945   21.001 -26.38696 50.13720 
1 1 1  -11   23   17 o  125.223   23.507   23.683   7.3449   6.8440   20.624   26.129   7.8602   88.135   40.310  131.292   23.997 -43.15643 46.91229 
1 1 1  -11   23   18 o  165.151   20.145   39.634   8.4391   32.190   23.433   40.744   9.0461  114.244   47.639  166.253   21.510 -52.00881 52.26991 
1 1 1  -11   23   19 o  140.751   29.053   32.499   10.241   0.0000   0.0000   32.499   10.241  ?   ?   140.751   29.053 0.000000 29.05312 
1 1 1  -11   23   20 o  117.285   29.378   23.213   8.9060  -1.3120   19.786   29.444   9.9734   77.456   36.730  132.238   29.827 -54.78210 47.31560 
1 1 1  -11   23   21 o  283.110   13.790  110.173   10.113   61.090   21.899  123.476   11.401  156.157   48.785  298.481   14.746 -142.3242 50.96520 
1 1 1  -11   23   22 o  124.730   23.888   24.462   7.4369   13.290   19.303   26.410   8.0590   87.602   39.646  128.544   25.104 -40.94130 46.92591 
1 1 1  -11   23   23 o  102.998   27.758   18.198   7.5732   18.900   19.451   18.073   8.2220   91.905   40.826  100.774   29.568 -8.868912 50.40873 
1 1 1  -11   23   24 o   61.685   25.262   4.6676   6.4304   27.230   19.277   1.8427   6.8211   99.771   42.488   56.329   24.629 43.44218 49.11005 
1 1 1  -11   23   25 o   65.419   28.383   4.8263   8.9123   1.7550   19.588   5.6281   10.008   73.733   35.395   68.227   29.832 5.505943 46.28998 
1 1 1  -11   23   26 o   51.015   24.088  -3.6804   8.3377   1.4190   20.020  -4.7505   9.1709   72.168   34.926   52.006   24.761 20.16147 42.81288 
1 1 1  -11   23   27 o   80.681   29.094   12.669   7.7791  -2.0630   21.451   14.900   8.3474   69.366   34.118   85.949   30.229 -16.58354 45.58260 
1 1 1  -11   23   28 o   55.651   25.196   1.6490   7.8055   39.800   22.231  -3.7155   8.3362   96.258   43.140   49.733   23.658 46.52550 49.20178 
1 1 1  -11   23   29 o   65.297   27.376   7.4022   7.8000   17.830   19.951   5.5208   8.4744   76.895   36.586   62.164   27.309 14.73082 45.65396 
1 1 1  -11   23   30 o  121.151   28.481   28.882   8.7871   17.340   21.057   31.316   9.6693   74.025   35.824  122.767   30.533 -48.74219 47.07037 
1 1 1  -11   23   31 o   55.225   26.277  -0.0471   10.296   32.310   24.829  -6.7664   11.314   78.215   38.092   51.109   25.065 27.10611 45.59914 
1 1 1  -11   23   32 o   54.038   26.852  -7.7900   14.560   0.0000   0.0000  -7.7900   14.560  ?   ?    54.038   26.852 0.000000 26.85175 
1 1 1  -11   23   33 o   68.163   28.086   10.927   8.0088   3.7462   10.711   20.033   12.061   57.451   27.180   77.824   33.386 -20.37293 43.05068 
1 1 1  -11   23   34 o   39.744   19.683  -8.8365   7.5752  -7.8589   12.606  -9.3890   9.4770   49.496   24.659   43.671   21.694 5.825130 32.84319 
1 1 1  -11   23   35 o   48.581   23.858  -2.9120   10.363  -0.2279   12.507  -8.7910   18.510   52.498   25.866   52.522   26.631 -0.2354050E-01 37.12497 
1 1 1  -11   24    1 o   80.102   30.072   8.4864   8.4517   1.3845   13.263   13.342   10.967   76.593   33.883   94.453   34.470 -17.85935 48.33441 
1 1 1  -11   24    2 o  155.001   22.825   34.478   8.8897   30.393   13.937   37.281   11.543  133.948   38.263  156.425   29.571 -22.47697 48.35854 
1 1 1  -11   24    3 o   94.885   30.971   13.822   8.7509  -8.9074   12.856   33.443   11.945   63.685   30.021  145.565   32.502 -81.88019 44.24495 
1 1 1  -11   24    4 o  181.150   20.028   46.001   9.2406   34.216   13.765   55.669   12.467  143.299   36.871  195.342   25.229 -52.04283 44.67615 
1 1 1  -11   24    5 o   99.274   29.757   15.294   8.2567   21.125   13.054   11.406   10.660  112.075   37.863   89.308   33.721 22.76776 50.70172 
1 1 1  -11   24    6 o   59.611   26.385  -0.4573   8.0526   8.9835   12.873  -6.5270   10.322   86.879   35.680   58.516   27.366 28.36325 44.96626 
1 1 1  -11   24    7 o  145.005   24.516   30.933   8.8801   11.212   14.006   44.191   11.483   91.740   37.393  172.099   26.619 -80.35902 45.90004 
1 1 1  -11   24    8 o  145.414   23.367   30.865   8.5033   28.949   13.185   32.229   11.126  129.676   37.272  142.850   30.963 -13.17380 48.45469 
1 1 1  -11   24    9 o   95.372   25.708   13.860   6.4953   27.430   20.291   12.311   6.8560  118.379   46.052   89.591   27.175 28.78789 53.47216 
1 1 1  -11   24   10 o   95.699   27.842   14.306   7.3175   2.3860   22.594   15.703   7.7343   89.719   41.453   99.849   28.498 -10.13028 50.30384 
1 1 1  -11   24   11 o   72.234   30.996   3.8610   10.401   32.630   21.126  -5.3443   11.950  123.560   47.275   63.494   29.612 60.06638 55.78295 
1 1 1  -11   24   12 o   51.546   23.876  -3.9669   7.5665   15.500   20.677  -6.9767   8.1304   99.136   43.122   49.740   23.575 49.39597 49.14595 
1 1 1  -11   24   13 o   90.754   27.764   13.101   7.1350 -12.9300   18.462   17.671   7.7360   70.237   33.881  105.103   27.936 -34.86617 43.91296 
1 1 1  -11   24   14 o   56.126   24.472   0.8280   6.6933   6.3770   18.872   0.0296   7.1587   86.024   39.040   56.127   24.858 29.89644 46.28194 
1 1 1  -11   24   15 o   72.036   27.911   7.0981   7.4306   25.140   20.960   4.5047   7.9468  107.019   44.874   66.830   27.794 40.18905 52.78409 
1 1 1  -11   24   16 o   49.623   22.880  -2.9111   6.8315  -4.3810   19.820  -2.7129   7.2774   76.285   36.342   51.530   23.707 24.75451 43.39088 
1 1 1  -11   24   17 o   69.425   28.412   5.9062   8.1264   0.0000   0.0000   5.9062   8.1264  ?   ?    69.425   28.412 0.000000 28.41150 
1 1 1  -11   24   18 o  268.629   16.805  102.130   11.635   72.560   25.169  110.167   13.121  163.555   52.451  276.709   18.411 -113.1547 55.58863 
1 1 1  -11   24   19 o   67.694   27.135   6.0978   7.2384 -27.9500   20.766   10.807   7.7227   62.818   31.351   80.510   28.994 -17.69184 42.70314 
1 1 1  -11   24   20 o  141.361   23.217   31.102   8.2060   45.020   22.055   28.865   8.8407  123.851   48.059  132.612   26.661 -8.760323 54.95892 
1 1 1  -11   24   21 o  203.994   17.267   60.088   9.0383   10.230   22.739   69.443   9.8498   84.185   39.758  219.058   17.505 -134.8732 43.44120 
1 1 1  -11   24   22 o  149.598   21.903   34.712   8.2360   40.630   22.239   33.772   8.8664  111.925   46.518  144.631   24.544 -32.70620 52.59632 
1 1 1  -11   24   23 o   64.152   26.730   5.3530   7.3688   3.2080   20.283   5.6791   7.9093   75.098   36.042   65.595   27.538 9.502357 45.35806 
1 1 1  -11   24   24 o   76.314   30.488   10.760   9.1048   8.2690   20.189   11.396   10.201   76.890   36.644   77.508   31.789 -0.6179962 48.51102 
1 1 1  -11   24   25 o   51.097   24.044  -2.8103   8.1792   26.080   20.747  -8.1264   8.8999   88.978   40.593   47.456   23.042 41.52252 46.67696 
1 1 1  -11   24   26 o   57.418   25.467   2.9401   7.5400  -5.1150   21.036   4.1275   8.0766   66.151   32.767   60.356   26.583 5.795219 42.19447 
1 1 1  -11   24   27 o  154.166   22.327   39.566   8.6566   24.480   22.027   42.322   9.4141   81.042   38.525  157.092   23.888 -76.05041 45.32960 
1 1 1  -11   24   28 o   57.632   25.781   3.6897   7.9004  -7.3140   17.758   6.4050   8.8214   59.706   29.666   63.062   27.778 -3.355942 40.64124 
1 1 1  -11   24   29 f   55.366   25.405   2.3955   8.2843   11.560   20.204   0.5434   9.0829   69.085   33.800   54.179   25.444 14.90581 42.30636 
1 1 1  -11   24   30 o   54.110   25.501   0.9221   9.2669   0.0000   0.0000   0.9221   9.2669  ?   ?    54.110   25.501 0.000000 25.50141 
1 1 1  -11   24   31 o   64.524   28.739   9.3267   9.7026 -12.3400   26.516   12.676   10.426   59.251   30.218   69.310   30.373 -10.05867 42.84410 
1 1 1  -11   24   32 o   80.360   30.469   17.406   8.7262   12.520   18.703   18.765   9.8658   64.210   31.635   79.603   31.758 -15.39234 44.82598 
1 1 1  -11   24   33 o   50.299   23.488   1.9455   7.5578   21.780   23.758  -0.2876   7.9719   64.481   32.376   48.165   22.974 16.31655 39.69893 
1 1 1  -11   24   34 o   54.577   26.103   5.0078   10.435   1.8910   23.693   5.7579   11.623   56.162   28.635   55.589   26.832 0.5736237 39.24226 
1 1 1  -11   25    1 o  161.331   22.430   37.780   9.1199   46.131   14.741   32.602   11.608  166.311   35.309  141.723   32.336 24.58759 47.87815 
1 1 1  -11   25    2 o  105.384   30.513   17.877   8.8077   16.380   13.763   18.915   11.462   99.572   38.143  105.632   35.480 -6.059883 52.09330 
1 1 1  -11   25    3 o  152.521   23.572   34.236   9.0126   5.1283   13.677   56.576   11.982   80.527   35.050  196.129   24.092 -115.6022 42.53099 
1 1 1  -11   25    4 o  202.296   17.814   57.038   9.2393   64.043   14.154   51.836   12.196  205.275   27.295  185.660   26.080 19.61447 37.75159 
1 1 1  -11   25    5 o  284.699   14.567  110.213   10.707  102.804   15.594  116.822   14.727  265.947   22.858  287.326   19.910 -21.37921 30.31380 
1 1 1  -11   25    6 o   45.569   22.082 -10.7529   8.0668 -15.1210   12.587  -7.7084   10.509   56.265   27.338   56.862   26.908 -0.5972290 38.35886 
1 1 1  -11   25    7 o   90.874   29.826   13.205   8.1119  -7.7030   12.238   29.591   10.834   61.517   29.088  134.146   31.684 -72.62930 43.01107 
1 1 1  -11   25    8 o  125.726   27.519   24.839   8.7133   12.605   12.903   35.095   11.814   90.245   36.209  145.613   32.179 -55.36821 48.44133 
1 1 1  -11   25    9 o   76.037   30.796   7.2957   9.4284   14.600   19.627   5.1044   10.750   96.210   41.929   74.056   31.637 22.15383 52.52574 
1 1 1  -11   25   10 o  109.024   29.977   19.700   8.7288   17.850   21.841   20.052   9.5223   99.746   43.829  108.498   31.817 -8.752693 54.16013 
1 1 1  -11   25   11 o   92.346   28.261   13.900   7.3921   11.360   19.484   14.327   7.9894   90.901   40.588   93.047   29.521 -2.145805 50.18892 
1 1 1  -11   25   12 o   91.179   28.781   13.736   7.6012   55.500   21.746   7.9232   8.1130  153.181   48.716   74.712   29.104 78.46899 56.74770 
1 1 1  -11   25   13 o   95.168   28.402   15.073   7.5339   21.370   19.405   13.955   8.1752  100.610   42.732   90.830   29.948 9.779938 52.18171 
1 1 1  -11   25   14 o   85.316   28.887   12.132   7.5987 -15.8400   19.721   17.009   8.2345   67.995   33.293   99.616   29.685 -31.62071 44.60545 
1 1 1  -11   25   15 o  184.962   20.164   50.426   9.5043   0.0000   0.0000   50.426   9.5043  ?   ?   184.962   20.164 0.000000 20.16417 
1 1 1  -11   25   16 o  150.423   24.375   35.492   9.1726   17.070   23.033   38.964   9.9997   92.288   42.353  156.396   25.567 -64.10792 49.47167 
1 1 1  -11   25   17 o  106.763   27.527   19.270   7.6615   2.0830   19.188   22.530   8.3565   77.084   36.440  115.056   28.247 -37.97238 46.10642 
1 1 1  -11   25   18 o  118.429   25.023   22.741   7.4359   27.740   18.599   21.790   8.1125  103.234   42.693  112.904   27.900 -9.670227 51.00114 
1 1 1  -11   25   19 o   54.038   23.743   1.2251   6.4088   9.1060   19.269   0.2449   6.7957   80.945   37.701   53.333   23.881 27.61228 44.62777 
1 1 1  -11   25   20 o   57.402   25.144   2.1441   7.1391   6.1250   20.136   1.5718   7.6351   77.819   36.946   57.542   25.569 20.27755 44.93115 
1 1 1  -11   25   21 o   66.516   27.227   6.4535   7.4646  -9.9220   20.568   8.9376   8.0108   67.279   33.152   72.724   28.742 -5.444977 43.87688 
1 1 1  -11   25   22 o   69.295   27.916   7.8753   7.7032   1.5960   20.535   8.9036   8.3101   72.329   35.092   71.896   28.984 0.4329910 45.51392 
1 1 1  -11   25   23 o   62.270   27.830   3.8224   9.1825   7.9360   20.138   2.7426   10.317   74.501   35.797   62.345   28.513 12.15591 45.76521 
1 1 1  -11   25   24 o   52.211   24.808  -3.2113   9.1136   2.1120   20.150  -4.5803   10.219   69.182   33.827   53.208   25.549 15.97331 42.39130 
1 1 1  -11   25   25 o   51.106   23.790  -0.8133   7.6574   10.370   20.998  -2.5286   8.2237   72.272   35.161   50.269   23.792 22.00277 42.45406 
1 1 1  -11   25   26 o   60.917   26.762   5.4628   8.1398 -21.7000   20.041   10.829   8.9076   56.148   28.384   71.263   29.515 -15.11478 40.94795 
1 1 1  -11   25   27 o   81.824   29.930   15.468   8.2749  -0.6549   17.522   20.096   9.3878   61.602   30.401   90.346   32.027 -28.74352 44.15843 
1 1 1  -11   25   28 o   67.130   28.481   9.9073   8.6047 -11.2200   20.437   14.459   9.4864   57.771   29.138   75.210   30.729 -17.43932 42.34717 
1 1 1  -11   25   29 o   41.249   20.536 -11.6593   8.6798   0.0000   0.0000 -11.6593   8.6798  ?   ?    41.249   20.536 0.000000 20.53551 
1 1 1  -11   25   30 o   49.898   24.155  -2.1824   9.5924 -64.6800   23.506   10.305   10.507   46.698   24.072   64.399   29.188 -17.70158 37.83379 
1 1 1  -11   25   31 o   80.419   30.809   18.540   8.9802   30.510   20.947   15.844   9.9399   70.753   34.574   71.943   30.570 -1.190033 46.15056 
1 1 1  -11   25   32 o   83.884   31.212   21.179   9.0650 -30.7400   22.759   30.969   9.8828   49.583   25.473  104.546   32.791 -54.96291 41.52276 
1 1 1  -11   25   33 o   65.391   28.273   13.410   8.7825 -14.0700   24.019   17.651   9.4359   51.640   26.513   71.550   30.060 -19.90962 40.08176 
1 1 1  -11   26    1 o  118.892   26.737   22.288   8.0344   12.978   12.330   29.157   10.592   89.631   35.584  132.089   31.414 -42.45786 47.46682 
1 1 1  -11   26    2 o   59.763   26.358   0.7013   7.9665   0.8818   12.255   0.5693   10.484   70.282   31.719   66.062   29.615 4.220070 43.39483 
1 1 1  -11   26    3 o  162.879   21.348   38.901   8.7901   28.786   13.307   46.731   11.708  123.547   37.935  173.067   26.999 -49.52013 46.56195 
1 1 1  -11   26    4 o  129.609   26.483   26.380   8.5906   8.8801   12.969   40.060   11.467   82.540   34.989  157.715   29.142 -75.17551 45.53542 
1 1 1  -11   26    5 o  190.380   18.896   51.862   9.1954   62.128   13.976   44.026   12.211  198.091   28.019  164.580   29.737 33.51094 40.85781 
1 1 1  -11   26    6 o  119.710   31.009   24.310   9.6927   37.890   20.189   20.242   11.049  126.258   46.658  105.454   34.820 20.80435 58.21833 
1 1 1  -11   26    7 o  119.291   38.130   27.730   13.309   52.020   19.351   5.9250   18.334  154.488   45.372   83.388   38.088 71.09940 59.23928 
1 1 1  -11   26    8 o   99.778   33.380   17.905   10.145   16.014   13.256   20.580   15.762   93.577   36.976  100.851   40.171 -7.273994 54.59805 
1 1 1  -11   26    9 o   61.071   26.747   1.7602   8.0754   7.5418   11.429  -4.0040   11.412   77.123   32.776   61.431   28.744 15.69127 43.59466 
1 1 1  -11   26   10 o   92.007   32.702   15.137   9.7936   24.150   20.950   12.617   11.079  101.865   43.856   85.885   33.846 15.98050 55.39776 
1 1 1  -11   26   11 o  142.513   20.518   30.210   7.3560   12.950   18.806   33.327   7.9928   88.412   39.647  149.048   21.309 -60.63602 45.01095 
1 1 1  -11   26   12 o   94.796   29.655   15.713   8.0888   0.0000   0.0000   15.713   8.0888  ?   ?    94.796   29.655 0.000000 29.65503 
1 1 1  -11   26   13 o   39.711   19.667 -14.0114   7.5675   0.0000   0.0000 -14.0114   7.5675  ?   ?    39.711   19.667 0.000000 19.66720 
1 1 1  -11   26   14 o   78.384   29.907   10.319   8.4401 -14.8700   19.983   15.789   9.3114   66.831   32.882   92.082   31.952 -25.25171 45.84943 
1 1 1  -11   26   15 o  108.457   26.824   19.858   7.4938   9.1250   21.963   21.272   7.9723   82.909   39.130  111.456   27.727 -28.54735 47.95816 
1 1 1  -11   26   16 o   89.393   28.529   14.233   7.4529   12.750   20.586   14.456   7.9952   84.277   39.157   89.125   29.628 -4.847664 49.10320 
1 1 1  -11   26   17 o   62.686   26.062   4.8259   6.9842   12.800   17.939   3.4014   7.5825   82.632   37.717   60.795   26.279 21.83635 45.96855 
1 1 1  -11   26   18 o   48.046   22.177  -1.9114   6.4440   0.5715   16.871  -2.3356   6.9726   70.175   33.459   49.137   22.817 21.03798 40.49794 
1 1 1  -11   26   19 o  114.590   25.487   22.335   7.3698   8.6600   17.700   25.203   8.1058   76.330   35.742  120.572   26.662 -44.24199 44.59073 
1 1 1  -11   26   20 o   70.743   27.593   8.6864   7.2995   61.800   19.173  -0.3177   7.8940  148.365   45.532   53.913   24.761 94.45227 51.82951 
1 1 1  -11   26   21 o   56.173   25.151   1.9820   7.5373  -9.2520   19.233   4.0203   8.1926   63.485   31.426   60.824   26.782 2.661140 41.29025 
1 1 1  -11   26   22 o   86.528   32.502   17.134   9.8755   11.220   20.527   18.915   11.265   74.198   35.775   87.602   34.248 -13.40401 49.52531 
1 1 1  -11   26   23 o   82.062   31.818   15.737   9.6609   15.230   20.871   15.876   10.899   74.694   36.029   80.353   32.895 -5.658508 48.78740 
1 1 1  -11   26   24 o   65.805   27.728   8.1658   8.0667 -27.5900   19.740   15.334   8.8384   53.762   27.286   81.230   30.697 -27.46795 41.07043 
1 1 1  -11   26   25 o   55.030   25.162   2.5448   8.0277  -4.7730   18.581   4.2241   8.9013   60.008   29.902   58.546   26.663 1.461788 40.06295 
1 1 1  -11   26   26 o   57.199   25.783   4.4529   8.0696   7.5480   17.545   3.6224   9.0879   64.538   31.559   57.000   26.319 7.537731 41.09321 
1 1 1  -11   26   27 o   84.541   30.472   18.075   8.5321   39.740   20.845   13.715   9.3512   82.111   38.557   72.199   30.099 9.912239 48.91397 
1 1 1  -11   26   28 o   63.834   28.325   9.6843   9.3387   0.0000   0.0000   9.6843   9.3387  ?   ?    63.834   28.325 0.000000 28.32547 
1 1 1  -11   26   29 o   54.905   25.929   3.7320   9.6690  -1.6890   23.317   4.8578   10.626   57.947   29.435   56.655   26.881 1.291817 39.86210 
1 1 1  -11   26   30 o   56.708   26.162   6.4846   8.9506   31.010   21.604   1.4027   9.8343   67.876   33.546   51.584   24.844 16.29234 41.74400 
1 1 1  -11   26   31 o   66.244   28.255   13.281   8.5492   32.980   19.995   8.8740   9.4573   67.480   33.139   58.241   26.877 9.239033 42.66854 
1 1 1  -11   26   32 f   45.050   22.069  -1.9615   8.6946  -5.1670   23.005  -1.4274   9.3911   51.758   26.531   46.323   22.742 5.434223 34.94383 
1 1 1  -11   27    1 o   48.734   23.008  -5.3104   7.6031  -0.4273   11.151  -9.5533   10.394   64.628   29.589   53.004   25.531 11.62421 39.08091 
1 1 1  -11   27    2 o   52.165   24.500  -4.7177   8.4240 -18.8882   12.985   5.5811   11.070   52.860   26.103   72.887   31.628 -20.02722 41.00821 
1 1 1  -11   27    3 o  121.071   32.185   26.149   10.267   22.890   19.421   27.413   12.096  100.231   42.664  118.968   36.097 -18.73723 55.88582 
1 1 1  -11   27    4 f  131.899   37.193   34.079   13.256   28.690   18.457   39.820   19.051  108.826   43.432  126.409   45.537 -17.58374 62.92795 
1 1 1  -11   27    5 o   63.273   29.452  -2.2950   11.731  -0.5517   18.642  -3.4380   15.095   75.583   35.787   68.361   32.318 7.222519 48.22009 
1 1 1  -11   27    6 o   53.559   25.363  -5.7048   9.3709 -14.5093   11.169   15.230   17.222   50.793   24.909   89.761   39.193 -38.96826 46.43889 
1 1 1  -11   27    7 o  141.079   24.566   31.451   8.6512   16.400   13.397   42.216   11.330   91.277   36.800  159.069   28.547 -67.79252 46.57430 
1 1 1  -11   27    8 o   62.633   27.303   2.9111   8.3268  -2.4081   12.281   7.4375   11.329   63.647   29.793   74.928   32.254 -11.28090 43.90836 
1 1 1  -11   27    9 o  153.068   24.702   37.290   9.4607   32.420   17.096   39.439   11.358  113.918   42.768  150.901   30.114 -36.98302 52.30677 
1 1 1  -11   27   10 o   87.847   36.846   15.410   14.139   0.0000   0.0000   15.410   14.139  ?   ?    87.847   36.846 0.000000 36.84626 
1 1 1  -11   27   11 o   58.459   25.631   2.0712   7.4332 -20.1700   19.380   5.9073   8.0487   62.677   31.116   67.285   27.977 -4.608028 41.84419 
1 1 1  -11   27   12 o   78.028   28.148   10.493   7.2826   26.660   19.921   7.9995   7.8242   98.242   42.529   71.493   28.358 26.74919 51.11665 
1 1 1  -11   27   13 o  105.835   27.206   19.402   7.4996   4.7580   18.816   22.167   8.1772   76.072   36.000  112.390   28.149 -36.31808 45.69871 
1 1 1  -11   27   14 o  113.807   26.311   22.071   7.6012   17.640   18.908   22.925   8.3015   86.714   39.242  113.730   28.295 -27.01618 48.37889 
1 1 1  -11   27   15 o   60.773   25.873   4.1011   7.1440   11.080   19.231   2.9837   7.6947   79.653   37.284   59.628   26.112 20.02523 45.51885 
1 1 1  -11   27   16 o   74.963   28.007   10.050   7.3138  -7.8000   18.979   13.163   7.9259   65.822   32.318   83.145   29.433 -17.32323 43.71177 
1 1 1  -11   27   17 o   56.574   24.802   2.5807   6.9587  -4.1480   18.223   3.7293   7.5293   66.317   32.371   59.871   26.032 6.446072 41.54000 
1 1 1  -11   27   18 o   74.520   27.738   10.324   7.1611   1.2990   16.277   12.490   7.9743   67.213   32.266   79.635   29.343 -12.42186 43.61270 
1 1 1  -11   27   19 o   96.264   27.418   17.481   7.1665   39.020   17.685   13.249   7.8389  106.956   42.568   80.991   29.206 25.96423 51.62366 
1 1 1  -11   27   20 o   96.962   28.237   18.479   7.5233   30.430   17.574   15.798   8.3247   92.169   39.923   85.890   30.189 6.278831 50.05190 
1 1 1  -11   27   21 o  135.476   28.211   35.182   9.5781   44.070   19.342   32.295   11.025  102.017   42.959  117.904   34.138 -15.88636 54.87104 
1 1 1  -11   27   22 o  137.814   29.585   38.380   10.246   17.240   19.593   46.336   12.020   73.231   35.218  145.923   32.620 -72.69121 48.00409 
1 1 1  -11   27   23 o   96.926   30.025   21.084   8.3148   17.750   19.469   21.828   9.1956   71.652   34.620   94.657   31.779 -23.00494 46.99431 
1 1 1  -11   27   24 o   65.049   27.459   9.0339   7.9341   19.090   17.856   6.5601   8.8564   71.415   34.153   60.637   27.199 10.77772 43.65977 
1 1 1  -11   27   25 o   43.985   21.243  -3.9591   7.3106   13.150   15.844  -8.5872   8.2403   66.189   31.790   42.116   20.797 24.07297 37.98783 
1 1 1  -11   27   26 o   74.709   29.741   15.104   8.6350 -16.7600   20.780   21.755   9.4935   53.549   27.258   87.439   32.046 -33.88947 42.07114 
1 1 1  -11   27   27 o   65.110   29.504   12.391   10.730   0.0000   0.0000   12.391   10.730  ?   ?    65.110   29.504 0.000000 29.50433 
1 1 1  -11   27   28 o   41.021   20.405  -9.0244   8.4967   14.450   22.528 -12.9174   9.1742   60.742   30.631   40.044   20.108 20.69859 36.64136 
1 1 1  -11   27   29 o   55.296   25.622   6.4773   8.7243   10.450   22.482   5.7730   9.4662   57.621   29.231   54.557   25.731 3.063763 38.94299 
1 1 1  -11   27   30 o   50.468   23.767   3.8936   8.0209   16.130   18.301   0.9843   8.9236   58.200   29.105   48.068   23.276 10.13248 37.26759 
1 1 1  -11   27   31 o   59.191   26.794   11.806   8.8220 -14.7800   23.197   16.301   9.5387   48.547   24.969   64.618   28.653 -16.07140 38.00559 
1 1 1  -11   28    1 o  204.411   28.867   71.121   14.859   65.920   21.819   75.620   20.292  156.714   48.652  184.578   43.206 -27.86330 65.06811 
1 1 1  -11   28    2 o  121.637   38.331   32.057   13.487   30.230   19.731   33.660   18.477  104.078   43.584  111.166   43.742 -7.088745 61.74831 
1 1 1  -11   28    3 o  119.767   28.425   24.845   8.6861   25.442   13.619   24.436   11.278  106.036   38.456  109.577   35.107 -3.540657 52.07040 
1 1 1  -11   28    4 o  120.893   30.425   26.363   9.5201   24.650   17.812   27.048   11.264   98.090   41.260  116.270   34.735 -18.17963 53.93433 
1 1 1  -11   28    5 o  101.924   32.663   20.223   9.7617   11.780   17.723   23.901   11.696   82.452   37.578  106.496   35.839 -24.04383 51.92833 
1 1 1  -11   28    6 f  110.350   36.160   25.875   11.925   30.970   17.449   21.410   16.335  107.140   42.395   93.984   39.521 13.15588 57.95945 
1 1 1  -11   28    7 o   79.385   32.710   11.385   10.864   23.110   16.642   2.6790   14.340   95.648   40.038   70.208   32.641 25.44008 51.65703 
1 1 1  -11   28    8 o   46.760   22.859 -11.0523   9.1875 -16.9065   12.194  -3.3640   13.974   50.480   24.995   63.849   30.445 -13.36826 39.39045 
1 1 1  -11   28    9 o   62.146   27.178   3.5657   8.3099   8.1382   12.293  -0.2823   11.277   74.045   32.694   62.114   28.900 11.93079 43.63659 
1 1 1  -11   28   10 o   55.854   24.916   1.2988   7.3243   1.0229   10.683   1.5435   10.061   62.336   28.694   61.925   28.258 0.4112167 40.27235 
1 1 1  -11   28   11 o   64.790   28.767   4.2240   9.6461  -8.7050   19.018   8.7022   11.193   65.754   32.298   73.311   31.807 -7.556900 45.33052 
1 1 1  -11   28   12 o   52.897   24.119  -0.2005   7.3122  -8.4460   20.146   1.0507   7.8473   66.522   32.785   56.197   25.370 10.32487 41.45490 
1 1 1  -11   28   13 o   85.119   28.597   13.766   7.4465   19.360   18.199   12.641   8.1609   84.998   38.479   80.710   29.692 4.288223 48.60328 
1 1 1  -11   28   14 o   69.707   27.854   8.4403   7.6006   27.500   19.682   5.0997   8.2398   91.021   40.707   63.140   27.343 27.88153 49.03741 
1 1 1  -11   28   15 o   96.908   29.338   18.484   7.9967   6.8250   19.694   20.785   8.7505   72.537   34.991  101.108   30.708 -28.57134 46.55478 
1 1 1  -11   28   16 o   96.299   28.461   18.090   7.5934 -12.9200   19.181   23.853   8.2690   60.693   30.265  111.878   28.465 -51.18550 41.54760 
1 1 1  -11   28   17 o   50.010   23.294  -1.1320   7.3575   20.300   18.328  -5.2493   8.0332   80.197   37.152   46.846   22.534 33.35137 43.45191 
1 1 1  -11   28   18 o   83.412   28.650   14.547   7.4770   17.220   16.954   13.902   8.3309   76.378   35.503   79.540   29.857 -3.161636 46.38880 
1 1 1  -11   28   19 o   85.101   31.584   17.539   9.2712   40.070   17.921   9.3041   10.834   98.402   41.388   67.545   30.205 30.85620 51.23785 
1 1 1  -11   28   20 o   54.789   25.543   1.5703   8.8794   23.340   16.659  -7.0688   10.494   78.682   36.076   49.235   24.145 29.44788 43.40997 
1 1 1  -11   28   21 o   54.548   24.812   3.1080   7.6790  -5.9470   16.522   5.6030   8.6727   56.630   28.215   59.350   26.743 -2.720203 38.87519 
1 1 1  -11   28   22 o   49.560   23.337  -0.0511   7.7308   12.280   16.777  -3.3751   8.7107   65.869   31.901   47.783   23.104 18.08669 39.38851 
1 1 1  -11   28   23 o   60.677   26.757   7.6317   8.2075  -5.8870   18.823   10.805   9.1202   56.139   28.270   65.748   28.619 -9.609356 40.22764 
1 1 1  -11   28   24 o   54.374   24.955   4.2357   7.9989   12.250   17.422   2.0950   9.0040   62.852   30.880   52.581   24.889 10.27126 39.66178 
1 1 1  -11   28   25 o   60.393   27.247   8.7686   9.0355   0.0000   0.0000   8.7686   9.0355  ?   ?    60.393   27.247 0.000000 27.24724 
1 1 1  -11   28   26 o   61.011   27.727   10.186   9.5620 -14.3400   22.578   15.546   10.555   52.480   26.855   67.524   30.031 -15.04409 40.28765 
1 1 1  -11   28   27 o   36.244   18.253 -13.3053   7.8561   17.220   22.013 -17.7608   8.4099   59.308   29.953   35.264   17.888 24.04395 34.88831 
1 1 1  -11   28   28 o   50.801   24.039   4.1060   8.3867   1.1270   22.794   4.5724   9.0195   53.193   27.202   51.595   24.562 1.598217 36.65015 
1 1 1  -11   28   29 o   69.849   28.878   17.304   8.5062   26.420   21.204   15.555   9.2861   58.202   29.395   64.134   28.362 -5.931664 40.84721 
1 1 1  -11   28   30 o   60.592   28.475   18.363   11.409   22.600   22.288   16.858   13.281   54.127   27.613   56.770   27.694 -2.642952 39.10852 
1 1 1  -11   29    1 o  154.314   26.123   40.269   10.069   38.241   12.831   43.520   16.246  134.745   36.054  130.224   42.179 4.520355 55.48860 
1 1 1  -11   29    2 o  162.096   31.405   48.925   12.710   46.120   20.486   50.680   16.206  117.962   46.166  146.070   41.101 -28.10735 61.81061 
1 1 1  -11   29    3 o  106.141   35.830   25.227   11.690   19.750   19.358   28.370   14.666   86.626   39.400  104.413   39.522 -17.78664 55.80647 
1 1 1  -11   29    4 o  193.589   18.437   56.194   9.1336   61.028   13.561   52.181   12.357  184.369   29.382  171.123   28.907 13.24670 41.21733 
1 1 1  -11   29    5 o   67.658   27.688   7.1619   7.7181   5.8720   11.010   8.4085   10.823   68.405   30.529   72.087   31.277 -3.681984 43.70688 
1 1 1  -11   29    6 o   49.991   23.319  -2.2956   7.4161  -4.2197   10.799  -0.5786   10.202   56.014   26.724   58.694   27.369 -2.679676 38.25216 
1 1 1  -11   29    7 o   51.735   23.710  -0.5595   7.1843  -8.1411   9.7958   8.2650   10.568   49.978   24.245   71.166   30.892 -21.18809 39.27020 
1 1 1  -11   29    8 o   73.395   28.543   9.8507   7.7927   6.3372   11.222   13.123   10.829   68.402   30.654   79.281   32.662 -10.87914 44.79377 
1 1 1  -11   29    9 o  154.065   21.262   37.785   8.2589   33.285   11.766   42.157   11.596  123.343   35.130  147.927   31.243 -24.58405 47.01313 
1 1 1  -11   29   10 o   69.158   28.059   8.3845   7.8421   22.463   10.905  -6.6932   11.285   98.192   34.549   53.891   26.115 44.30105 43.30901 
1 1 1  -11   29   11 o   66.292   28.958   6.7247   9.4112 -14.6200   19.660   13.070   10.719   60.828   30.381   77.567   32.272 -16.73965 44.32236 
1 1 1  -11   29   12 o   77.034   28.309   11.749   7.4154   11.950   19.662   11.716   8.0066   74.472   35.674   76.198   29.115 -1.725876 46.04668 
1 1 1  -11   29   13 o  121.708   26.033   26.744   7.9588   11.530   19.146   29.923   8.7508   73.121   35.073  126.929   27.417 -53.80807 44.51737 
1 1 1  -11   29   14 o  136.285   22.579   31.337   7.6917   32.600   20.705   31.135   8.2846   87.451   40.141  132.325   25.088 -44.87400 47.33657 
1 1 1  -11   29   15 o   74.465   28.378   11.674   7.5937   1.0400   19.930   13.480   8.2132   65.093   32.180   78.093   29.572 -13.00004 43.70414 
1 1 1  -11   29   16 o  101.843   29.248   21.867   8.1222   14.860   19.761   23.292   8.9097   71.371   34.579  101.944   30.991 -30.57236 46.43472 
1 1 1  -11   29   17 o   45.177   21.709  -3.9602   7.4095 -18.7300   17.930  -0.9184   8.1368   53.425   26.988   50.322   23.771 3.102669 35.96402 
1 1 1  -11   29   18 o   58.342   26.408   5.0634   8.5692  -0.8757   17.051   7.0705   9.9119   59.361   29.421   61.910   28.172 -2.549328 40.73382 
1 1 1  -11   29   19 o   55.155   25.610   3.1916   8.7837  -3.3210   15.423   6.3181   10.686   56.023   27.804   60.269   28.072 -4.245792 39.51068 
1 1 1  -11   29   20 o   70.500   28.460   12.451   8.0237   6.2740   18.053   13.971   8.9569   61.037   30.256   71.954   29.681 -10.91731 42.38353 
1 1 1  -11   29   21 o   80.730   29.894   17.445   8.2961   28.940   19.177   14.798   9.2017   72.056   34.701   71.832   29.894 0.2241898 45.80197 
1 1 1  -11   29   22 o   50.683   23.875   1.8780   8.1058   12.780   18.924  -0.5715   8.9703   61.601   30.611   49.130   23.678 12.47088 38.69981 
1 1 1  -11   29   23 o   52.838   24.391   4.2355   7.7965 -14.9200   18.533   8.3542   8.5938   50.374   25.651   59.064   26.617 -8.690159 36.96577 
1 1 1  -11   29   24 o   67.664   29.984   16.232   10.430   0.0000   0.0000   16.232   10.430  ?   ?    67.664   29.984 0.000000 29.98423 
1 1 1  -11   29   25 o   68.826   29.550   16.573   9.4628 -40.5500   21.312   30.600   10.561   45.269   23.315   92.756   33.830 -47.48764 41.08578 
1 1 1  -11   29   26 o   45.623   22.136  -0.2909   8.1728   18.110   21.993  -3.2392   8.8032   56.898   28.869   43.946   21.661 12.95258 36.09228 
1 1 1  -11   29   27 o   47.473   22.840   2.4756   8.2615   19.800   22.644  -0.1846   8.8731   55.247   28.153   45.554   22.311 9.692860 35.92202 
1 1 1  -11   29   28 o   45.530   22.211   1.4335   8.5398   7.7520   21.956   0.3073   9.2696   50.599   25.936   45.168   22.257 5.431778 34.17632 
1 1 1  -11   30    1 o  131.023   24.011   29.119   7.8488   15.090   11.229   42.520   10.975   80.879   33.283  150.731   29.164 -69.85225 44.25251 
1 1 1  -11   30    2 o  165.644   19.244   42.640   8.1032   29.997   12.501   51.802   10.642  109.209   37.051  174.922   24.129 -65.71339 44.21498 
1 1 1  -11   30    3 o   58.196   25.892   3.1397   7.8530  -5.9685   11.376   11.433   10.855   54.197   26.253   74.345   31.777 -20.14737 41.21851 
1 1 1  -11   30    4 o  113.351   31.392   26.474   9.5330   4.4680   18.423   34.521   11.140   69.334   33.542  127.325   33.373 -57.99127 47.31638 
1 1 1  -11   30    5 o   72.388   30.061   10.422   9.2758   26.530   18.611   5.0982   10.699   87.277   39.266   64.378   29.285 22.89832 48.98381 
1 1 1  -11   30    6 o   54.080   24.483   1.4572   7.3683  -0.4412   10.648   3.2016   10.207   57.569   27.194   61.152   28.112 -3.582817 39.11210 
1 1 1  -11   30    7 o   58.846   25.609   4.3274   7.2996  -2.7992   10.507   10.977   10.149   54.735   26.182   72.517   30.854 -17.78248 40.46550 
1 1 1  -11   30    8 f   69.638   27.821   9.3645   7.5817   19.819   11.023  -0.0216   10.444   88.140   34.039   57.164   26.981 30.97647 43.43526 
1 1 1  -11   30    9 o   35.863   17.927 -13.6393   6.9115  -2.6973   9.8861 -24.1002   9.6663   53.168   25.423   38.254   19.380 14.91471 31.96728 
1 1 1  -11   30   10 o  122.321   26.655   28.002   8.2068   32.632   12.269   24.254   11.040  110.803   36.697   96.382   34.671 14.42131 50.48455 
1 1 1  -11   30   11 f   60.500   26.095   5.7791   7.4446   1.8823   10.136   10.344   10.970   57.648   27.011   69.073   30.673 -11.42582 40.87070 
1 1 1  -11   30   12 o   90.714   31.597   19.843   9.1099   3.7920   16.983   26.328   10.794   63.814   31.172  100.091   34.421 -36.27713 46.43825 
1 1 1  -11   30   13 o   65.054   26.951   8.4794   7.4307   23.000   19.602   6.0426   8.0301   75.055   35.863   60.304   26.535 14.75119 44.61245 
1 1 1  -11   30   14 o   77.001   28.568   13.674   7.5835   2.7170   20.113   15.490   8.1878   62.516   31.145   80.151   29.695 -17.63519 43.03244 
1 1 1  -11   30   15 o   63.320   27.063   8.4068   7.8729   31.660   19.884   4.0837   8.5736   77.740   36.852   56.365   25.857 21.37497 45.01839 
1 1 1  -11   30   16 o   63.731   28.251   9.3757   9.2663   13.620   19.542   8.1445   10.525   65.269   32.191   61.816   28.465 3.453114 42.97112 
1 1 1  -11   30   17 o   62.446   27.831   9.1049   9.1149   36.990   18.533   0.2078   10.469   80.449   37.301   52.676   25.436 27.77288 45.14762 
1 1 1  -11   30   18 o   60.768   26.473   8.3268   7.8170 -12.4500   16.401   14.434   8.8919   50.798   25.679   71.268   29.500 -20.47034 39.11090 
1 1 1  -11   30   19 o   44.472   21.395  -2.1144   7.2446  -7.0450   15.517  -0.7401   8.1922   51.458   25.882   47.636   22.874 3.822063 34.54065 
1 1 1  -11   30   20 o   39.307   19.510  -8.3014   7.6006   12.720   17.654 -13.0846   8.4211   60.157   29.837   38.109   19.154 22.04765 35.45567 
1 1 1  -11   30   21 o   52.260   24.246   4.4162   7.8489 -30.7400   18.987   11.662   8.6199   45.979   23.604   63.236   27.667 -17.25766 36.36759 
1 1 1  -11   30   22 o   51.534   24.879   3.3517   10.004   0.0000   0.0000   3.3517   10.004  ?   ?    51.534   24.879 0.000000 24.87942 
1 1 1  -11   30   23 o   58.876   26.536   10.273   8.5445   16.710   19.088   8.6602   9.5552   57.699   28.978   55.995   26.233 1.704472 39.08784 
1 1 1  -11   30   24 o   40.007   19.816  -5.4468   7.6913   11.460   20.417  -8.2429   8.3030   54.161   27.515   39.207   19.606 14.95434 33.78553 
1 1 1  -11   30   25 o   44.210   21.534  -0.0745   7.9423 -55.3100   21.267   8.8780   8.5618   40.978   21.200   54.265   25.226 -13.28778 32.95134 
1 1 1  -11   30   26 f   37.503   18.739  -6.7414   7.5128 -29.0500   21.874  -3.7577   7.9995   43.774   22.591   40.408   20.049 3.365402 30.20458 
1 1 1  -11   30   27 o   41.256   20.404  -1.4713   8.0431 -16.7000   23.214   0.6062   8.5742   44.597   23.026   43.333   21.363 1.264462 31.40995 
1 1 1  -11   31    1 o   83.855   28.977   15.281   7.6541   1.7497   10.761   29.136   10.889   58.194   27.443  108.077   34.483 -49.88272 44.07026 
1 1 1  -11   31    2 o   70.061   27.538   10.088   7.3164  -0.9231   10.531   20.362   10.172   55.115   26.321   88.944   33.069 -33.82907 42.26588 
1 1 1  -11   31    3 o   52.305   23.946   1.3287   7.3018  -1.3790   10.568   3.8020   10.100   54.625   26.163   59.608   27.602 -4.982578 38.03123 
1 1 1  -11   31    4 o   34.158   17.197 -15.8872   6.9431 -24.0949   10.565  -9.6474   9.2118   39.972   20.252   44.898   22.136 -4.925110 30.00240 
1 1 1  -11   31    5 o   51.543   23.608   1.2483   7.1082   2.3853   10.291   0.2107   9.8302   57.754   27.110   54.795   25.957 2.958427 37.53274 
1 1 1  -11   31    6 o  136.048   28.320   36.842   9.6554   36.690   18.938   36.896   11.224   88.427   39.711  124.498   33.893 -36.07013 52.20832 
1 1 1  -11   31    7 o   70.862   29.261   11.670   8.7176   29.460   17.608   5.8934   10.034   82.632   37.581   61.141   28.020 21.49095 46.87672 
1 1 1  -11   31    8 o   51.424   23.649   1.4409   7.2329   5.3991   10.390  -2.2815   10.075   60.306   27.950   51.911   25.038 8.395542 37.52436 
1 1 1  -11   31    9 o   53.279   24.480   2.3651   7.7264   11.062   11.427  -4.9590   10.487   66.936   30.378   49.992   24.436 16.94464 38.98606 
1 1 1  -11   31   10 o   91.771   29.536   19.640   7.9755   15.457   11.585   23.408   10.996   72.073   31.786   87.647   33.955 -15.57376 46.51151 
1 1 1  -11   31   11 o   50.804   23.621   1.3768   7.5117   7.0195   10.976  -3.5938   10.302   60.750   28.348   50.020   24.399 10.73046 37.40238 
1 1 1  -11   31   12 o   55.742   26.008   3.9919   9.2356   5.5550   17.597   3.3976   10.850   60.497   29.967   56.285   26.835 4.212330 40.22598 
1 1 1  -11   31   13 o   44.332   21.392  -3.1504   7.3751   30.430   19.572  -8.7077   7.9620   72.966   35.118   40.770   20.188 32.19655 40.50731 
1 1 1  -11   31   14 o   56.068   26.020   5.3095   9.0475 -14.4700   19.608   10.660   10.198   52.379   26.644   63.052   28.647 -10.67317 39.12232 
1 1 1  -11   31   15 o   54.393   25.807   4.0900   9.7925  -3.4570   19.588   6.6045   11.307   54.976   27.823   57.455   27.393 -2.479443 39.04474 
1 1 1  -11   31   16 o   54.748   26.009   4.9811   10.009 -13.2600   18.892   12.099   11.801   50.916   25.925   61.930   29.058 -11.01414 38.94188 
1 1 1  -11   31   17 o   50.856   23.867   3.1896   7.9690 -11.0400   18.051   6.6344   8.8814   50.370   25.617   55.672   25.816 -5.301575 36.36877 
1 1 1  -11   31   18 o   37.240   18.606  -9.7687   7.4019   7.4830   15.701 -14.6988   8.3932   55.864   27.780   36.645   18.506 19.21818 33.37941 
1 1 1  -11   31   19 o   44.074   21.476  -2.0937   7.9197 -18.3600   18.756   1.4359   8.7368   47.540   24.339   48.452   23.356 -0.9127045 33.73231 
1 1 1  -11   31   20 o   51.722   24.637   5.0899   9.1016   0.0000   0.0000   5.0899   9.1016  ?   ?    51.722   24.637 0.000000 24.63710 
1 1 1  -11   31   21 o   76.155   30.262   21.005   8.9251   15.860   19.469   22.374   10.043   55.577   28.081   73.501   30.953 -17.92469 41.79205 
1 1 1  -11   31   22 o   53.614   23.988   7.5090   6.8433   0.9135   17.250   8.7408   7.4550   49.566   25.191   55.157   24.830 -5.591526 35.37120 
1 1 1  -11   31   23 o   50.623   23.561   6.4995   7.5039  -5.1080   18.725   8.7204   8.1904   47.172   24.163   53.249   24.727 -6.077003 34.57305 
1 1 1  -11   31   24 o   37.149   18.643  -7.5114   7.8244   19.060   20.406 -12.0913   8.4719   51.615   26.340   35.799   18.137 15.81593 31.98056 
1 1 1  -11   31   25 o   41.867   20.663  -0.0976   8.1001   15.000   21.465  -2.6047   8.7468   48.709   25.011   40.702   20.319 8.006931 32.22459 
1 1 1  -11   32    1 o   54.917   24.515   4.4233   7.1038   5.6222   9.8459   3.1215   10.259   58.505   27.148   55.951   26.508 2.553696 37.94328 
1 1 1  -11   32    2 o   80.336   28.829   15.700   7.6288   12.647   11.287   18.269   10.351   67.173   30.366   77.658   31.956 -10.48441 44.08260 
1 1 1  -11   32    3 o  110.065   28.168   26.095   8.0641   23.770   11.569   28.293   11.246   84.090   34.094   94.993   34.870 -10.90372 48.76771 
1 1 1  -11   32    4 o   54.177   24.487   4.0621   7.3361   2.6716   10.615   5.3334   10.150   55.371   26.439   57.858   27.084 -2.487068 37.84909 
1 1 1  -11   32    5 o   49.388   22.998   1.1762   7.1651  -2.0751   10.907   3.6442   9.5031   51.351   25.061   55.273   25.980 -3.921566 36.09727 
1 1 1  -11   32    6 o   71.353   27.923   12.667   7.4937   9.5323   10.728   15.654   10.472   62.267   28.697   71.221   30.834 -8.953751 42.12152 
1 1 1  -11   32    7 o   85.751   31.566   21.113   9.2256   7.8280   16.809   26.841   11.037   60.288   29.757   90.138   34.245 -29.85015 45.36730 
1 1 1  -11   32    8 o   77.894   30.729   17.979   9.1408   28.110   18.894   14.883   10.444   70.689   34.143   68.858   30.282 1.830879 45.63654 
1 1 1  -11   32    9 o   41.833   20.812  -9.3018   8.8550 -29.0200   18.448  -3.3991   10.094   47.243   24.183   48.171   23.635 -0.9284477 33.81430 
1 1 1  -11   32   10 o   46.861   22.400  -0.5024   7.6628  -2.8406   10.719   1.9412   10.958   49.012   24.109   52.895   25.656 -3.883423 35.20629 
1 1 1  -11   32   11 o   44.319   21.504  -2.7228   7.7139 -20.1166   11.343   12.241   10.521   40.534   20.583   62.931   28.786 -22.39727 35.38801 
1 1 1  -11   32   12 o   53.364   25.336   4.4733   9.4707 -26.3000   19.365   14.147   10.858   47.409   24.305   64.228   29.327 -16.81873 38.08887 
1 1 1  -11   32   13 o   48.626   24.386  -5.5658   13.281  -6.0840   19.751  -5.1380   17.944   52.093   26.522   51.644   26.190 0.4492073 37.27414 
1 1 1  -11   32   14 o   48.733   23.713   0.6272   9.5615  -0.1400   19.471   0.8710   10.976   53.043   26.939   50.047   24.573 2.996326 36.46315 
1 1 1  -11   32   15 f   52.185   24.182   5.3540   7.7735   44.520   19.579  -1.9749   8.4696   71.324   34.523   44.820   21.919 26.50448 40.89369 
1 1 1  -11   32   16 o   46.513   22.233   1.3633   7.5473 -18.7900   17.050   6.2746   8.4169   45.547   23.310   52.888   24.727 -7.340145 33.98227 
1 1 1  -11   32   17 o   60.764   27.609   13.383   9.4750   0.0000   0.0000   13.383   9.4750  ?   ?    60.764   27.609 0.000000 27.60941 
1 1 1  -11   32   18 o   40.593   20.470 -10.1722   10.060   0.0000   0.0000 -10.1722   10.060  ?   ?    40.593   20.470 0.000000 20.47005 
1 1 1  -11   32   19 o   39.669   19.854  -7.0414   8.5983 -15.7600   17.777  -4.3787   9.8240   44.930   23.051   42.907   21.437 2.022564 31.47860 
1 1 1  -11   32   20 o   58.566   26.177   12.468   8.1258   34.270   17.937   6.8383   9.1146   60.206   29.898   50.343   24.161 9.863636 38.43987 
1 1 1  -11   32   21 o   45.098   21.844   2.6798   7.8732   30.040   17.991  -3.8009   8.7561   56.423   28.308   40.784   20.355 15.63903 34.86656 
1 1 1  -11   32   22 o   42.523   20.892   0.7124   7.9717  -3.5060   18.815   1.6353   8.8007   45.132   23.185   43.797   21.602 1.334461 31.68848 
1 1 1  -11   32   23 o   50.139   23.736   9.5337   8.1948   19.850   18.797   7.1127   9.1057   49.054   25.054   47.113   22.972 1.940670 33.99122 
1 1 1  -11   33    1 o   44.503   21.496  -1.9247   7.4928 -10.9692   11.013   5.8701   10.224   43.899   22.042   55.258   26.262 -11.35930 34.28586 
1 1 1  -11   33    2 o   38.303   18.978  -7.6724   7.0755  -7.7306   10.274  -7.6200   9.7583   44.535   22.199   43.803   21.801 0.7323990 31.11388 
1 1 1  -11   33    3 o   81.140   29.457   18.666   7.9942   4.7025   11.528   31.599   11.095   54.315   26.338   94.146   34.623 -39.83062 43.50265 
1 1 1  -11   33    4 o   43.773   21.328  -3.0103   7.8101  -6.0199   11.246  -0.2067   10.855   46.613   23.233   49.975   24.517 -3.361984 33.77662 
1 1 1  -11   33    5 o   65.027   27.221   11.905   7.6926   5.4044   11.329   17.465   10.479   54.385   26.309   68.779   30.287 -14.39382 40.11779 
1 1 1  -11   33    6 o   80.906   29.312   18.859   7.9095   16.750   11.670   20.652   10.757   65.095   29.974   72.582   31.337 -7.487831 43.36396 
1 1 1  -11   33    7 o   94.250   30.097   24.565   8.2940   28.470   11.974   20.963   11.500   80.172   33.782   70.293   31.299 9.879211 46.05269 
1 1 1  -11   33    8 o   59.924   26.350   10.077   7.9061 -13.6978   11.224   33.489   11.138   41.950   21.210   94.164   34.681 -52.21432 40.65287 
1 1 1  -11   33    9 o   94.107   31.607   27.399   9.0965   10.210   16.370   35.077   10.941   55.774   27.836   98.326   34.605 -42.55264 44.41132 
1 1 1  -11   33   10 o   49.333   24.623  -0.4779   12.823 -26.7400   19.093   21.100   17.307   45.296   23.275   60.071   29.749 -14.77512 37.77224 
1 1 1  -11   33   11 o   46.010   23.228  -7.2104   13.164  -5.5490   19.667  -8.5590   17.719   49.882   25.488   48.350   24.662 1.531193 35.46682 
1 1 1  -11   33   12 o   37.687   18.913  -9.7880   8.0569 -20.5884   11.755  -0.2191   11.065   39.101   19.957   47.571   23.599 -8.469948 30.90637 
1 1 1  -11   33   13 o   41.877   20.909  -5.8810   9.2775 -13.4300   19.562  -3.6903   10.538   47.053   24.143   44.650   22.292 2.402519 32.86035 
1 1 1  -11   33   14 o   46.560   22.407   2.3439   7.9639  -4.7480   19.395   3.7822   8.7343   48.375   24.765   48.435   23.349 -0.5989075E-01 34.03635 
1 1 1  -11   33   15 o   46.047   22.528   1.5483   8.9732   0.0000   0.0000   1.5483   8.9732  ?   ?    46.047   22.528 0.000000 22.52772 
1 1 1  -11   33   16 o   51.233   24.904   8.3006   10.474   0.0000   0.0000   8.3006   10.474  ?   ?    51.233   24.904 0.000000 24.90359 
1 1 1  -11   33   17 o   58.175   26.589   14.176   8.9532   0.8848   18.876   18.034   10.170   47.430   24.293   60.444   27.886 -13.01357 36.98346 
1 1 1  -11   33   18 o   42.865   20.985   0.8697   7.8228   12.500   19.810  -1.2791   8.5149   49.160   25.156   41.777   20.721 7.383163 32.59138 
1 1 1  -11   33   19 o   40.256   20.032  -2.1309   8.2242   6.7890   20.075  -3.9299   9.0154   46.796   24.036   39.944   20.040 6.852425 31.29469 
1 1 1  -11   33   20 o   48.474   23.365   8.7437   8.7411   8.3980   20.598   8.8196   9.6534   45.914   23.611   47.972   23.448 -2.057476 33.27528 
1 1 1  -11   33   21 o   45.689   22.299   6.9779   8.6390  -6.0010   18.656   10.521   9.7470   42.081   21.680   47.960   23.467 -5.878544 31.94896 
1 1 1  -11   34    1 o   71.583   28.525   17.013   7.9505   17.984   11.319   16.067   11.170   63.008   29.191   61.093   28.538 1.914585 40.82354 
1 1 1  -11   34    2 o   80.324   29.427   20.626   8.0038   16.756   12.055   23.676   10.703   60.394   28.648   72.474   31.274 -12.08035 42.41214 
1 1 1  -11   34    3 o   59.654   26.312   11.361   7.9404   7.5174   11.310   15.097   11.150   52.758   25.698   59.720   28.093 -6.961872 38.07343 
1 1 1  -11   34    4 o   74.975   29.274   19.312   8.2221   8.3869   11.654   30.138   11.602   53.161   25.936   78.236   33.125 -25.07478 42.07030 
1 1 1  -11   34    5 o   52.566   24.531   7.1597   8.2226   7.0499   12.161   7.2521   11.161   51.912   25.563   52.123   25.419 -0.2109947 36.04971 
1 1 1  -11   34    6 o   36.931   18.685 -13.0521   8.7949   7.1190   18.074 -19.3098   10.067   51.557   26.160   36.523   18.626 15.03325 32.11383 
1 1 1  -11   34    7 o   50.272   24.844   5.4305   11.840   14.350   16.230  -4.7170   17.311   54.188   27.144   47.603   24.290 6.585266 36.42534 
1 1 1  -11   34    8 o   43.399   21.552  -2.5522   9.3248   0.6796   10.970 -10.9700   17.704   46.731   23.235   45.847   23.485 0.8843689 33.03711 
1 1 1  -11   34    9 o   35.203   17.774 -11.5354   7.7221 -15.6646   11.097  -7.6581   10.753   38.919   19.821   41.826   21.101 -2.907158 28.95048 
1 1 1  -11   34   10 o   39.832   19.760  -4.0716   7.7570 -10.7356   11.944   0.7900   10.201   41.464   21.062   45.715   22.675 -4.251080 30.94788 
1 1 1  -11   34   11 o   49.543   24.426   6.8386   11.215   0.0000   0.0000   6.8386   11.215  ?   ?    49.543   24.426 0.000000 24.42599 
1 1 1  -11   34   12 o   52.321   25.659   12.083   11.855   0.0000   0.0000   12.083   11.855  ?   ?    52.321   25.659 0.000000 25.65900 
1 1 1  -11   34   13 o   38.999   20.033 -22.1900   14.008   0.0000   0.0000 -22.1900   14.008  ?   ?    38.999   20.033 0.000000 20.03297 
1 1 1  -11   34   14 o   54.721   25.319   12.343   8.4746   17.050   18.692   11.126   9.5079   49.893   25.438   51.877   24.839 -1.984348 35.55388 
1 1 1  -11   34   15 o   47.177   22.466   6.2096   7.5584  -0.4324   19.772   7.3464   8.1796   45.088   23.183   48.187   23.063 -3.098362 32.70127 
1 1 1  -11   34   16 o   42.355   20.848   1.8862   8.0579 -24.8200   20.626   6.6965   8.7536   40.848   21.112   46.517   22.647 -5.669350 30.96101 
1 1 1  -11   34   17 o   32.775   16.713 -13.8395   8.0890  -4.8330   20.647 -15.4725   8.7918   42.818   22.092   33.281   17.009 9.537422 27.88118 
1 1 1  -11   34   18 o   36.189   18.302  -6.2832   8.3890   9.4000   21.087  -9.2319   9.1437   43.963   22.668   35.717   18.171 8.246693 29.05222 
1 1 1  -11   34   19 o   39.070   19.626  -0.2446   8.7812 -37.0700   21.209   7.3742   9.6469   37.486   19.450   43.789   21.775 -6.302658 29.19730 
1 1 1  -11   35    1 o   34.923   17.755 -14.3648   8.6152  -0.6485   14.807 -21.3842   10.593   45.905   23.332   35.534   18.199 10.37169 29.59046 
1 1 1  -11   35    2 o   42.369   21.357  -4.3862   10.891   9.8460   16.640 -15.0500   14.404   49.420   25.079   41.326   21.170 8.094849 32.81982 
1 1 1  -11   35    3 o   46.432   23.318   2.8034   12.354 -18.9700   18.552   20.150   16.559   42.787   22.023   53.022   26.677 -10.23452 34.59325 
1 1 1  -11   35    4 o   41.565   20.851  -3.6184   9.7480  -6.3506   11.818   2.1970   17.242   41.993   21.291   46.806   23.913 -4.812447 32.01774 
1 1 1  -11   35    5 o   37.823   19.129  -9.2838   9.1616 -21.4376   10.855   20.810   17.081   35.597   18.245   52.388   26.449 -16.79092 32.13206 
1 1 1  -11   35    6 o   48.106   23.124   6.4993   8.4212   13.810   14.302   2.6193   10.419   50.626   25.378   45.221   22.511 5.404823 33.92265 
1 1 1  -11   35    7 o   37.181   18.739  -7.7230   8.3664  -4.5620   13.579  -9.6573   10.622   43.061   21.930   39.065   19.846 3.996033 29.57661 
1 1 1  -11   35    8 o   56.980   26.957   18.447   10.538   19.020   14.946   17.880   14.859   51.704   25.921   51.254   25.716 0.4494057 36.51360 
1 1 1  -11   35    9 o   43.769   21.856   1.9615   10.150  -1.5040   14.533   5.2620   14.182   43.687   22.288   45.874   23.266 -2.187061 32.21938 
1 1 1  -11   35   10 o   57.011   26.388   16.920   9.2174   11.567   11.482   26.620   15.457   48.963   24.245   53.348   26.689 -4.385319 36.05724 
1 1 1  -11   35   11 o   39.634   19.710  -1.1639   7.9103   1.9583   11.130  -4.3509   11.245   43.168   21.738   40.464   20.543 2.703663 29.90913 
1 1 1  -11   35   12 o   41.443   20.535   1.5669   8.2862 -20.6455   11.756   23.494   11.681   35.394   18.191   55.684   26.883 -20.29028 32.45977 
1 1 1  -11   35   13 o   41.056   20.688   0.4548   10.169   24.470   20.098  -7.8085   11.789   47.006   24.140   38.657   19.751 8.349293 31.19084 
1 1 1  -11   35   14 o   42.215   21.210   3.9330   10.281 -20.4300   20.555   12.062   11.873   39.411   20.412   45.985   23.061 -6.574310 30.79692 
1 1 1  -11   35   15 o   33.863   17.230  -9.2799   8.2409   8.6240   20.802 -12.6130   8.9752   42.410   21.893   33.484   17.118 8.926441 27.79132 
1 1 1  -11   35   16 o   37.555   18.920  -1.0957   8.4800  -3.1010   21.452  -0.7244   9.2319   40.063   20.752   38.155   19.285 1.907436 28.32974 
1 1 1  -11   36    1 o   46.625   23.118   9.4510   10.564   17.390   14.590   0.7036   15.315   48.298   24.392   42.833   21.934 5.464676 32.80328 
1 1 1  -11   36    2 o   47.084   23.385   10.724   10.991 -27.4300   15.298   51.430   15.801   36.845   19.011   63.716   30.883 -26.87079 36.26481 
1 1 1  -11   36    3 o   40.346   20.286  -0.6987   9.4918 -14.4679   12.073   21.590   15.360   37.067   19.016   49.045   24.799 -11.97750 31.25077 
1 1 1  -11   36    4 o   37.850   19.096  -4.1990   8.8122  -5.9485   11.117  -1.2410   14.455   38.893   19.811   41.741   21.369 -2.847183 29.13994 
1 1 1  -11   36    5 o   47.656   23.230   10.740   9.2927   3.8926   12.021   20.910   14.649   42.816   21.683   48.701   24.577 -5.885590 32.77439 
1 1 1  -11   36    6 o   45.716   22.192   7.9678   8.2421   7.7173   12.003   8.1914   11.338   44.147   22.274   44.524   22.357 -0.3778419 31.55928 
1 1 1  -11   36    7 o   41.759   20.457   3.7866   7.4735  -4.3926   10.954   10.909   10.222   38.703   19.709   46.236   22.891 -7.532791 30.20731 
1 1 1  -11   36    8 o   67.047   28.401   24.964   8.5351   17.520   11.696   33.444   12.483   48.445   24.072   57.862   27.898 -9.417049 36.84774 
1 1 1  -11   36    9 o   40.726   20.218   3.2964   8.1801   12.718   11.443  -6.5486   11.698   45.402   22.750   37.746   19.317 7.655884 29.84492 
1 1 1  -11   36   10 o   44.468   21.734   8.7115   8.2903   3.1452   11.654   14.414   11.796   40.564   20.625   45.358   22.779 -4.793415 30.72966 
1 1 1  -11   36   11 o   42.266   20.907   6.8648   8.4554   15.177   12.124  -1.0059   11.798   44.739   22.549   38.640   19.744 6.098957 29.97157 
1 1 1  -11   36   12 o   38.373   19.210   2.0062   8.0689  -2.8580   12.196   5.7931   10.761   37.665   19.308   40.464   20.494 -2.798702 28.15654 
1 1 1  -11   37    1 o   41.091   20.280   6.0569   7.8001  -1.5202   10.845   14.178   11.227   37.494   19.140   43.923   22.081 -6.429703 29.22173 
1 1 1  -11   37    2 o   36.832   18.483   0.1426   7.6915  -9.3764   11.254   8.4876   10.537   35.223   18.088   41.444   20.906 -6.220303 27.64449 
1 1 1  -11   37    3 o   38.826   19.457   3.2446   8.3794  -5.7194   12.139   11.404   11.581   36.524   18.757   42.127   21.328 -5.603596 28.40290 
1 1 1  -11   37    4 o   30.652   15.715 -13.9070   8.1203 -14.5324   11.195 -13.2127   11.796   33.642   17.305   34.372   17.685 -0.7297974 24.74318 
1 1 1  -11   37    5 f   39.305   19.594   4.6371   8.0160  -6.3545   10.884   17.668   11.850   35.418   18.162   44.080   22.227 -8.662399 28.70358 
1 1 1  -11   37    6 o   48.551   23.256   16.442   8.3531   18.356   11.801   14.519   11.825   44.014   22.192   42.339   21.448 1.674976 30.86305 
1 1 1  -11   37    7 o   34.764   17.628  -2.3916   8.1152  -6.9732   11.639   1.9435   11.321   35.110   18.046   37.534   19.192 -2.423653 26.34341 
1 1 1  -10    0    1 o  266.684   12.065   92.746   8.2953   92.746   8.2953   92.746   8.2953  266.684   12.065  266.684   12.065 -0.000000 0.000000 
1 1 1  -10    0    2 o  373.326   11.893  181.192   11.474  181.192   11.474  181.192   11.474  373.326   11.893  373.326   11.893 -0.000000 0.000000 
1 1 1  -10    0    3 o  551.711   12.700  395.186   18.128  395.186   18.128  395.186   18.128  551.711   12.700  551.711   12.700 -0.000000 0.000000 
1 1 1  -10    0    4 o  200.331   14.146   52.805   7.2567   52.805   7.2567   52.805   7.2567  200.331   14.146  200.331   14.146 0.000000 0.000000 
1 1 1  -10    0    5 o  540.227   12.778  378.943   17.858  378.943   17.858  378.943   17.858  540.227   12.778  540.227   12.778 0.000000 0.000000 
1 1 1  -10    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    0    7 o  233.406   15.465   71.572   9.2560   71.572   9.2560   71.572   9.2560  233.406   15.465  233.406   15.465 0.000000 0.000000 
1 1 1  -10    0    8 o  1044.40   17.127  1416.14   46.306  1416.14   46.306  1416.14   46.306  1044.40   17.127  1044.40   17.127 -0.000000 0.000000 
1 1 1  -10    0    9 o  499.304   13.417  323.914   17.325  323.914   17.325  323.914   17.325  499.304   13.417  499.304   13.417 0.000000 0.000000 
1 1 1  -10    0   10 o  444.714   13.102  257.068   15.063  257.068   15.063  257.068   15.063  444.714   13.102  444.714   13.102 -0.000000 0.000000 
1 1 1  -10    0   11 o  194.035   16.560   49.900   8.1839   49.900   8.1839   49.900   8.1839  194.035   16.560  194.035   16.560 -0.000000 0.000000 
1 1 1  -10    0   12 o  289.932   13.740  109.737   10.266  109.737   10.266  109.737   10.266  289.932   13.740  289.932   13.740 -0.000000 0.000000 
1 1 1  -10    0   13 o   66.839   32.693   8.5697   6.6987   8.5697   6.6987   8.5697   6.6987   66.839   32.693   66.839   32.693 0.000000 0.000000 
1 1 1  -10    0   14 o   76.725   34.037   11.059   7.1424   11.059   7.1424   11.059   7.1424   76.725   34.037   76.725   34.037 -0.000000 0.000000 
1 1 1  -10    0   15 o  614.507   13.883  490.584   22.073  490.584   22.073  490.584   22.073  614.507   13.883  614.507   13.883 -0.000000 0.000000 
1 1 1  -10    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    0   17 o  542.366   13.790  382.417   19.346  382.417   19.346  382.417   19.346  542.366   13.790  542.366   13.790 0.000000 0.000000 
1 1 1  -10    0   18 o  292.162   15.531  111.767   11.678  111.767   11.678  111.767   11.678  292.162   15.531  292.162   15.531 -0.000000 0.000000 
1 1 1  -10    0   19 o  385.124   14.468  193.381   14.387  193.381   14.387  193.381   14.387  385.124   14.468  385.124   14.468 0.000000 0.000000 
1 1 1  -10    0   20 o  634.495   14.399  523.640   23.637  523.640   23.637  523.640   23.637  634.495   14.399  634.495   14.399 -0.000000 0.000000 
1 1 1  -10    0   21 o  273.834   16.566   98.575   11.652   98.575   11.652   98.575   11.652  273.834   16.566  273.834   16.566 -0.000000 0.000000 
1 1 1  -10    0   22 o  301.961   15.821  119.572   12.297  119.572   12.297  119.572   12.297  301.961   15.821  301.961   15.821 0.000000 0.000000 
1 1 1  -10    0   23 o   49.789   31.714   1.0484   9.0135   1.0484   9.0135   1.0484   9.0135   49.789   31.714   49.789   31.714 0.000000 0.000000 
1 1 1  -10    0   24 o  126.769   35.011   25.502   9.9429   25.502   9.9429   25.502   9.9429  126.769   35.011  126.769   35.011 -0.000000 0.000000 
1 1 1  -10    0   25 o  134.107   41.011   29.850   12.449   29.850   12.449   29.850   12.449  134.107   41.011  134.107   41.011 0.000000 0.000000 
1 1 1  -10    0   26 o  294.760   26.630  117.900   19.951  117.900   19.951  117.900   19.951  294.760   26.630  294.760   26.630 -0.000000 0.000000 
1 1 1  -10    0   27 f   85.667   39.794   14.618   9.7894   14.618   9.7894   14.618   9.7894   85.667   39.794   85.667   39.794 -0.000000 0.000000 
1 1 1  -10    0   28 o   37.824   25.842  -4.4855   7.9335  -4.4855   7.9335  -4.4855   7.9335   37.824   25.842   37.824   25.842 0.000000 0.000000 
1 1 1  -10    0   29 o   40.404   27.740  -5.7488   9.3921  -5.7488   9.3921  -5.7488   9.3921   40.404   27.740   40.404   27.740 -0.000000 0.000000 
1 1 1  -10    0   30 o   50.780   32.409   1.6235   9.4716   1.6235   9.4716   1.6235   9.4716   50.780   32.409   50.780   32.409 0.000000 0.000000 
1 1 1  -10    0   31 o  308.805   16.510  126.787   13.120  126.787   13.120  126.787   13.120  308.805   16.510  308.805   16.510 -0.000000 0.000000 
1 1 1  -10    0   32 o   46.217   30.594  -1.0933   9.5897  -1.0933   9.5897  -1.0933   9.5897   46.217   30.594   46.217   30.594 0.000000 0.000000 
1 1 1  -10    0   33 o  105.797   41.149   21.850   10.747   21.850   10.747   21.850   10.747  105.797   41.149  105.797   41.149 0.000000 0.000000 
1 1 1  -10    0   34 o   49.205   31.760   1.5452   9.4238   1.5452   9.4238   1.5452   9.4238   49.205   31.760   49.205   31.760 0.000000 0.000000 
1 1 1  -10    0   35 o   68.822   43.684   8.3320   16.924   8.3320   16.924   8.3320   16.924   68.822   43.684   68.822   43.684 -0.000000 0.000000 
1 1 1  -10    0   36 o   50.339   32.800   1.6371   10.378   1.6371   10.378   1.6371   10.378   50.339   32.800   50.339   32.800 0.000000 0.000000 
1 1 1  -10    0   37 o   56.463   34.675   5.9478   9.7923   5.9478   9.7923   5.9478   9.7923   56.463   34.675   56.463   34.675 0.000000 0.000000 
1 1 1  -10    0   38 o   59.510   36.208   7.5464   10.455   7.5464   10.455   7.5464   10.455   59.510   36.208   59.510   36.208 0.000000 0.000000 
1 1 1  -10    0   39 o  207.169   24.194   63.592   12.521   63.592   12.521   63.592   12.521  207.169   24.194  207.169   24.194 -0.000000 0.000000 
1 1 1  -10    0   40 o   88.851   41.733   19.911   10.786   19.911   10.786   19.911   10.786   88.851   41.733   88.851   41.733 -0.000000 0.000000 
1 1 1  -10    0   41 o   45.546   30.637   0.6977   10.311   0.6977   10.311   0.6977   10.311   45.546   30.637   45.546   30.637 -0.000000 0.000000 
1 1 1  -10    0   42 o   29.799   21.905 -25.6296   11.598 -25.6296   11.598 -25.6296   11.598   29.799   21.905   29.799   21.905 -0.000000 0.000000 
1 1 1  -10    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    0   44 o   61.320   37.316   12.811   11.109   12.811   11.109   12.811   11.109   61.320   37.316   61.320   37.316 0.000000 0.000000 
1 1 1  -10    0   45 o   45.724   31.643   2.3585   12.821   2.3585   12.821   2.3585   12.821   45.724   31.643   45.724   31.643 0.000000 0.000000 
1 1 1  -10    1    1 o  125.592   11.033   20.610   3.5529   22.131   4.8441   18.840   5.2268  129.760   14.669  119.185   17.447 10.57487 22.79434 
1 1 1  -10    1    2 o  388.139   8.4443  195.253   8.4898  200.197   12.126  190.499   11.891  392.887   11.915  383.250   11.978 9.636597 16.89464 
1 1 1  -10    1    3 o  983.054   11.452  1253.23   29.161  1248.75   41.162  1257.75   41.317  980.663   16.204  984.193   16.207 -3.529846 22.91811 
1 1 1  -10    1    4 o  313.349   8.7734  127.264   7.1211  132.175   10.107  122.423   10.035  319.224   12.223  307.208   12.610 12.01608 17.56198 
1 1 1  -10    1    5 o  1047.81   13.780  1424.60   37.400  1493.00   66.883  1393.48   45.112  1070.61   24.118  1035.82   16.814 34.78101 29.39984 
1 1 1  -10    1    6 o  1279.47   19.482  2128.19   64.567  2128.19   64.567   0.0000   0.0000  1279.47   19.482  ?   ?  0.000000 19.48181 
1 1 1  -10    1    7 o  1203.85   13.193  1880.30   41.142  1853.96   57.514  1907.91   58.876  1194.37   18.590  1211.58   18.760 -17.21387 26.41118 
1 1 1  -10    1    8 o  741.932   10.307  713.708   19.808  723.898   28.288  703.907   27.745  746.798   14.623  736.423   14.545 10.37524 20.62485 
1 1 1  -10    1    9 o  211.016   11.533   57.923   6.2800   62.910   8.5904   52.198   9.2039  219.606   15.195  199.611   17.994 19.99486 23.55152 
1 1 1  -10    1   10 o  397.360   9.2853  204.692   9.5572  211.170   13.668  198.494   13.369  403.412   13.080  391.109   13.196 12.30261 18.58009 
1 1 1  -10    1   11 o  422.725   9.1643  231.662   10.035  231.827   14.423  231.508   13.970  422.657   13.174  422.392   12.768 0.2656860 18.34640 
1 1 1  -10    1   12 o  441.516   9.2288  252.734   10.555  247.316   14.945  258.125   14.908  436.522   13.217  445.980   12.905 -9.458649 18.47235 
1 1 1  -10    1   13 o  289.678   9.9962  108.821   7.5007  108.010   10.681  109.609   10.536  288.403   14.297  290.547   13.999 -2.143799 20.00969 
1 1 1  -10    1   14 o  426.940   9.6252  236.378   10.644  229.040   14.912  244.001   15.200  419.987   13.707  433.501   13.536 -13.51373 19.26411 
1 1 1  -10    1   15 o  567.835   9.7952  418.194   14.407  423.089   20.606  413.513   20.151  570.736   13.939  564.258   13.787 6.478149 19.60535 
1 1 1  -10    1   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    1   17 o  608.128   10.003  479.800   15.757  493.145   22.600  467.176   21.980  615.994   14.164  599.557   14.153 16.43683 20.02322 
1 1 1  -10    1   18 o  330.655   10.490  141.897   8.9847  141.657   12.666  142.141   12.747  330.034   14.816  330.591   14.886 -0.5563354 21.00218 
1 1 1  -10    1   19 o  258.946   11.660   87.090   7.8210   79.435   10.953   95.052   11.171  246.296   17.277  269.712   16.063 -23.41585 23.59097 
1 1 1  -10    1   20 o  928.090   11.579  1119.05   27.835  1139.75   39.737  1099.10   39.003  935.177   16.404  918.353   16.396 16.82379 23.19322 
1 1 1  -10    1   21 o  675.095   10.382  591.936   18.155  588.796   25.613  595.106   25.736  672.350   14.707  675.945   14.699 -3.594971 20.79284 
1 1 1  -10    1   22 f  366.795   10.644  174.839   10.113  171.994   14.237  177.736   14.368  363.172   15.134  369.202   15.024 -6.030243 21.32547 
1 1 1  -10    1   23 o  346.859   10.842  156.458   9.7416  146.286   13.532  167.402   14.035  334.662   15.610  358.093   15.131 -23.43106 21.74001 
1 1 1  -10    1   24 o  156.496   17.958   32.542   7.1480   19.639   9.9462   46.326   10.280  118.631   31.744  186.142   21.729 -67.51147 38.46815 
1 1 1  -10    1   25 o  100.726   28.501   14.037   7.7705   15.910   12.075   12.712   10.152  109.266   36.415   98.917   33.390 10.34940 49.40594 
1 1 1  -10    1   26 o  223.877   17.567   66.424   10.105   67.550   17.838   65.893   12.263  220.123   32.241  221.688   21.630 -1.564865 38.82465 
1 1 1  -10    1   27 o  122.838   21.654   20.673   6.6383   21.103   8.6749   20.066   10.312  122.342   27.982  118.488   32.583 3.853767 42.94906 
1 1 1  -10    1   28 o  143.072   19.756   27.723   7.1262   22.515   9.9948   33.109   10.163  125.236   30.981  154.203   26.394 -28.96664 40.69925 
1 1 1  -10    1   29 o  193.387   15.993   49.745   7.9395   57.093   11.361   42.731   11.100  205.100   21.714  175.762   25.093 29.33817 33.18407 
1 1 1  -10    1   30 o  216.878   14.677   62.365   8.1965   66.009   11.516   58.624   11.669  220.846   20.360  207.246   22.076 13.60078 30.03142 
1 1 1  -10    1   31 f  107.024   23.325   16.191   6.2835   6.2307   8.7906   26.597   8.9852   77.804   30.299  136.658   26.338 -58.85432 40.14616 
1 1 1  -10    1   32 o  172.240   17.930   40.231   7.8825   47.148   11.254   33.569   11.044  183.370   24.291  151.754   29.155 31.61551 37.94832 
1 1 1  -10    1   33 o  198.722   16.230   53.243   8.2812   64.986   11.938   42.352   11.497  216.548   21.570  171.410   26.770 45.13846 34.37840 
1 1 1  -10    1   34 o  187.671   30.543   52.740   14.337   52.740   14.337   0.0000   0.0000  187.671   30.543  ?   ?  0.000000 30.54288 
1 1 1  -10    1   35 o  104.835   35.932   17.391   11.758   27.460   17.437   8.9960   15.923  124.694   43.699   92.390   38.944 32.30361 58.53437 
1 1 1  -10    1   36 o   81.671   27.682   9.6830   6.9781   1.5977   10.501   16.077   9.3381   70.224   30.635  101.066   31.900 -30.84148 44.22795 
1 1 1  -10    1   37 o   71.346   27.382   6.2858   7.1014   11.679   10.439   1.6394   9.6890   88.984   33.417   67.660   29.474 21.32391 44.55817 
1 1 1  -10    1   38 o   54.326   24.410  -1.3867   7.1656  -4.1451   9.6739   1.9662   10.666   58.613   27.096   69.870   30.667 -11.25798 40.92228 
1 1 1  -10    1   39 o   90.823   28.703   13.236   7.5583   17.654   10.833   9.0464   10.550  100.879   34.490   81.181   32.682 19.69812 47.51544 
1 1 1  -10    1   40 o   73.723   29.325   7.3488   8.3890   5.6487   11.806   9.0828   11.923   75.467   32.705   81.209   33.932 -5.741890 47.12750 
1 1 1  -10    1   41 o   64.724   28.010   3.2261   8.6353   6.0375   12.288   0.4834   12.137   75.319   32.991   67.714   30.953 7.604340 45.23784 
1 1 1  -10    1   42 o   54.385   24.730  -0.9493   7.6211  -0.8667   10.756  -1.0326   10.800   62.344   28.733   62.241   28.723 0.1035805 40.62732 
1 1 1  -10    1   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    1   44 o   51.484   24.289  -3.9809   8.4457  -4.8365   12.664  -3.2956   11.334   60.143   28.762   59.051   27.944 1.091831 40.10122 
1 1 1  -10    1   45 o  103.118   29.467   20.205   8.2637   21.320   12.583   19.359   10.958   93.870   36.335   92.888   34.365 0.9824219 50.01184 
1 1 1  -10    2    1 o  339.299   8.3085  149.203   7.3022  147.331   10.336  151.068   10.318  337.047   11.839  341.301   11.671 -4.253784 16.62433 
1 1 1  -10    2    2 o  414.253   8.4836  222.412   9.1033  228.697   12.994  216.354   12.757  419.921   11.946  408.426   12.058 11.49503 16.97395 
1 1 1  -10    2    3 o  679.635   9.5961  598.775   16.894  603.834   24.025  593.828   23.759  682.190   13.596  676.517   13.558 5.672607 19.20101 
1 1 1  -10    2    4 o  747.946   10.049  725.258   19.469  752.228   28.337  701.144   26.795  761.331   14.369  735.056   14.073 26.27502 20.11261 
1 1 1  -10    2    5 o  808.980   14.623  849.401   30.642  862.200   43.418  836.700   43.252  814.209   20.587  802.040   20.819 12.16864 29.27875 
1 1 1  -10    2    6 o  573.642   10.915  426.696   16.218  422.376   19.801  435.500   28.269  570.559   13.398  578.848   18.854 -8.288940 23.12926 
1 1 1  -10    2    7 o  494.652   11.114  317.294   14.241  314.300   25.918  318.589   17.044  491.590   20.354  495.528   13.278 -3.937836 24.30200 
1 1 1  -10    2    8 o  158.126   14.297   32.716   5.7927   37.311   8.1107   27.932   8.2760  168.370   18.925  144.732   22.832 23.63739 29.65559 
1 1 1  -10    2    9 o  196.607   12.304   50.340   6.2347   48.070   8.7687   52.661   8.8665  191.500   17.884  200.593   17.232 -9.093307 24.83494 
1 1 1  -10    2   10 o  252.877   10.576   82.924   6.9274   74.238   9.6051   92.339   10.001  238.585   15.628  266.304   14.553 -27.71928 21.35481 
1 1 1  -10    2   11 o  355.194   9.5680  163.574   8.8031  163.335   12.496  163.809   12.404  354.742   13.599  355.263   13.479 -0.5210571 19.14697 
1 1 1  -10    2   12 o  124.458   16.041   20.456   5.0508   26.658   7.0619   13.960   7.2269  141.781   19.766  101.586   27.001 40.19508 33.46312 
1 1 1  -10    2   13 o  215.877   11.584   60.637   6.4542   58.666   9.2456   62.509   9.0141  211.757   16.999  218.745   16.020 -6.987320 23.35824 
1 1 1  -10    2   14 o  765.450   10.481  760.008   20.781  737.564   28.935  783.918   29.865  753.487   14.825  776.801   14.842 -23.31378 20.97782 
1 1 1  -10    2   15 o  329.068   11.576  140.527   9.8673  130.300   16.007  146.794   12.531  315.672   19.674  336.143   14.392 -20.47070 24.37613 
1 1 1  -10    2   16 o  446.466   21.002  260.000   24.289  260.000   24.289   0.0000   0.0000  446.466   21.002  ?   ?  0.000000 21.00236 
1 1 1  -10    2   17 o  735.700   10.495  702.358   20.000  686.376   27.993  719.022   28.584  726.576   14.874  743.661   14.839 -17.08514 21.00997 
1 1 1  -10    2   18 o  337.963   10.647  148.253   9.3209  147.941   13.172  148.565   13.192  337.240   15.079  337.951   15.069 -0.7110291 21.31785 
1 1 1  -10    2   19 o  284.178   11.437  104.881   8.4186   93.296   12.040  115.966   11.776  266.968   17.507  298.107   15.302 -31.13837 23.25192 
1 1 1  -10    2   20 o   95.427   25.209   12.398   6.3243   12.209   8.9581   12.586   8.9296   97.132   31.307   98.197   31.216 -1.065254 44.21026 
1 1 1  -10    2   21 o  359.739   10.588  168.108   9.8663  163.637   13.989  172.534   13.917  354.359   15.240  363.934   14.763 -9.574615 21.21837 
1 1 1  -10    2   22 o  329.686   11.122  141.304   9.4978  153.669   13.623  129.608   13.249  343.230   15.323  314.656   16.311 28.57401 22.37922 
1 1 1  -10    2   23 o   89.441   26.574   10.780   6.6061   11.974   9.5049   9.6654   9.1882   96.680   32.310   89.898   31.704 6.782425 45.26690 
1 1 1  -10    2   24 o  435.342   10.458  246.583   11.793  250.768   16.640  242.361   16.715  438.059   14.665  430.567   14.987 7.491180 20.96815 
1 1 1  -10    2   25 o  171.172   23.029   39.573   9.9518   38.910   12.333   40.810   16.850  167.619   29.481  168.185   39.372 -0.5660706 49.18599 
1 1 1  -10    2   26 o  119.893   28.284   20.195   8.6416   21.370   16.983   19.784   10.038  124.971   43.164  118.146   32.007 6.825111 53.73637 
1 1 1  -10    2   27 o  242.531   13.289   77.284   8.3165   71.220   11.477   83.988   12.069  230.936   19.364  251.159   18.684 -20.22276 26.90850 
1 1 1  -10    2   28 o  113.235   24.517   17.941   6.9828   11.566   9.5677   25.207   10.214   93.878   32.399  132.731   30.367 -38.85303 44.40584 
1 1 1  -10    2   29 o  250.414   13.326   82.608   8.6130   79.107   12.201   86.086   12.161  242.683   19.575  253.636   18.640 -10.95338 27.03038 
1 1 1  -10    2   30 o  232.390   13.947   71.423   8.3568   61.770   11.559   81.995   12.096  213.145   21.217  246.903   19.061 -33.75827 28.52209 
1 1 1  -10    2   31 o  272.210   12.266   97.454   8.6485  108.944   12.388   86.528   12.080  285.446   16.828  253.432   18.530 32.01424 25.03088 
1 1 1  -10    2   32 o  126.542   22.641   22.529   7.1488   19.937   9.9908   25.248   10.233  115.233   32.217  130.287   30.807 -15.05403 44.57603 
1 1 1  -10    2   33 o  177.448   16.806   42.657   7.6328   44.455   11.217   41.106   10.416  176.561   25.245  170.235   24.312 6.325470 35.04852 
1 1 1  -10    2   34 o   64.572   27.141   2.2986   7.6983   3.3650   12.455   1.6393   9.7929   78.793   33.867   69.446   29.941 9.347076 45.20485 
1 1 1  -10    2   35 o   87.225   30.984   10.939   8.7906   19.440   16.224   7.4067   10.459  109.615   41.549   81.193   32.592 28.42165 52.80704 
1 1 1  -10    2   36 o  160.867   17.990   35.861   7.3680   25.080   9.9346   49.040   10.984  126.557   30.634  184.408   23.531 -57.85185 38.62865 
1 1 1  -10    2   37 o   75.502   28.177   7.6421   7.3987   12.174   9.6766   1.2641   11.480   89.603   32.428   71.394   31.556 18.20855 45.24743 
1 1 1  -10    2   38 o  130.471   23.279   25.192   7.5789   11.256   10.390   41.039   11.079   86.858   33.172  163.968   27.028 -77.10990 42.78893 
1 1 1  -10    2   39 o   63.572   26.655   3.3262   7.3953   2.9644   9.9334   3.7761   11.077   68.872   29.923   72.500   31.549 -3.627975 43.48271 
1 1 1  -10    2   40 f   65.955   27.151   4.6651   7.4757   3.6384   9.8068   6.0893   11.551   68.713   29.793   75.672   32.572 -6.958366 44.14217 
1 1 1  -10    2   41 o   79.253   28.034   10.181   7.1891   5.4511   10.375   14.549   9.9704   71.648   30.855   90.168   32.873 -18.51950 45.08485 
1 1 1  -10    2   42 o   58.354   26.017   0.9306   7.9745   0.3463   10.468   1.7386   12.310   63.210   28.836   68.306   31.203 -5.096550 42.48711 
1 1 1  -10    2   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    2   44 f  104.932   30.654   20.841   8.8542   22.905   11.832   18.213   13.348  101.753   35.968   89.752   36.535 12.00060 51.26853 
1 1 1  -10    2   45 o  201.705   20.078   62.894   10.351   81.959   14.554   43.381   14.724  218.680   26.217  134.556   39.594 84.12389 47.48643 
1 1 1  -10    3    1 o  313.841   8.4867  127.657   6.8992  124.773   9.7869  130.507   9.7272  310.159   12.182  317.218   11.838 -7.059326 16.98633 
1 1 1  -10    3    2 o  497.717   8.7635  321.080   11.298  322.853   16.045  319.336   15.912  498.900   12.416  496.177   12.381 2.722656 17.53370 
1 1 1  -10    3    3 o  596.647   10.500  461.559   16.227  494.300   28.502  445.856   19.739  616.814   17.839  586.240   12.999 30.57458 22.07230 
1 1 1  -10    3    4 o  599.579   12.876  466.365   19.998  495.300   28.821  439.500   27.771  617.414   18.021  581.553   18.435 35.86090 25.78016 
1 1 1  -10    3    5 o  519.797   9.2946  350.237   12.514  344.605   17.720  355.840   17.676  515.370   13.274  523.721   13.030 -8.350647 18.60038 
1 1 1  -10    3    6 o  302.027   20.650  119.200   16.058   0.0000   0.0000  119.200   16.058  ?   ?   302.027   20.650 0.000000 20.64962 
1 1 1  -10    3    7 f  615.206   11.310  490.830   18.023  510.000   32.965  482.658   21.525  626.190   20.323  609.882   13.625 16.30768 24.46803 
1 1 1  -10    3    8 o  670.563   9.9097  582.972   17.213  593.378   24.662  573.087   24.035  676.166   14.081  664.516   13.963 11.65009 19.83040 
1 1 1  -10    3    9 o  555.428   9.4953  399.946   13.661  408.185   19.648  392.235   19.007  560.837   13.525  549.785   13.347 11.05225 19.00159 
1 1 1  -10    3   10 o  692.639   9.9806  622.050   17.907  635.808   25.692  609.054   24.971  699.855   14.172  684.983   14.073 14.87231 19.97297 
1 1 1  -10    3   11 o  162.908   12.974   34.659   5.4295   33.886   7.5062   35.506   7.8630  160.391   18.400  164.164   18.832 -3.773163 26.32869 
1 1 1  -10    3   12 o  504.303   9.4741  329.756   12.376  345.196   17.848  315.456   17.176  515.687   13.361  492.965   13.451 22.72208 18.95937 
1 1 1  -10    3   13 o  511.698   9.5270  339.527   12.628  337.214   18.003  341.767   17.717  509.629   13.637  513.087   13.331 -3.457336 19.07054 
1 1 1  -10    3   14 o  277.929   10.546  100.202   7.5923   98.062   10.856  102.251   10.622  274.278   15.341  280.167   14.688 -5.888855 21.23896 
1 1 1  -10    3   15 o  364.759   13.524  172.800   12.778  182.000   17.837  163.100   18.314  373.899   18.416  353.219   20.100 20.68073 27.26131 
1 1 1  -10    3   16 o  318.789   15.739  132.160   12.997  137.600   19.485  127.800   17.444  323.669   23.399  312.179   21.707 11.49011 31.91679 
1 1 1  -10    3   17 o  822.254   10.949  877.536   23.321  887.230   33.254  868.156   32.713  825.883   15.545  816.977   15.458 8.906250 21.92233 
1 1 1  -10    3   18 o  515.907   9.9206  345.384   13.257  339.342   18.829  351.325   18.670  510.855   14.229  519.848   13.865 -8.993317 19.86710 
1 1 1  -10    3   19 o  515.308   10.028  344.667   13.385  341.618   18.979  347.684   18.881  512.450   14.298  517.011   14.099 -4.560974 20.07997 
1 1 1  -10    3   20 o  426.223   10.152  235.871   11.209  236.554   16.086  235.226   15.627  426.279   14.568  425.136   14.190 1.142883 20.33710 
1 1 1  -10    3   21 o  192.196   20.088   48.877   9.8528   0.0000   0.0000   48.877   9.8528  ?   ?   192.196   20.088 0.000000 20.08768 
1 1 1  -10    3   22 o  197.701   14.119   51.192   7.1829   48.638   10.293   53.616   10.028  191.343   21.120  201.366   19.469 -10.02275 28.72443 
1 1 1  -10    3   23 o  492.853   10.333  315.823   13.191  306.336   18.855  324.919   18.462  484.346   15.029  499.018   14.283 -14.67227 20.73316 
1 1 1  -10    3   24 o  162.489   17.132   34.996   7.1022   27.862   10.619   40.769   9.5531  141.509   29.907  174.430   21.606 -32.92125 36.89510 
1 1 1  -10    3   25 o  292.973   16.733  113.088   12.645  120.900   16.773  102.800   19.249  301.269   21.637  275.384   27.346 25.88513 34.87077 
1 1 1  -10    3   26 o  143.993   25.169   28.567   9.0460   35.080   19.234   26.717   10.250  153.391   45.286  137.758   29.607 15.63290 54.10569 
1 1 1  -10    3   27 o  315.133   11.846  129.824   9.6701  133.421   14.016  126.557   13.359  317.441   17.108  309.290   16.737 8.150391 23.93383 
1 1 1  -10    3   28 o  250.661   12.933   82.598   8.3684   77.133   11.466   88.827   12.242  240.319   18.563  258.038   18.436 -17.71875 26.16270 
1 1 1  -10    3   29 o  170.579   16.869   38.918   7.3559   35.583   10.587   42.031   10.228  159.391   26.578  175.009   23.129 -15.61737 35.23280 
1 1 1  -10    3   30 o  171.381   17.036   39.414   7.4626   32.959   10.386   46.303   10.730  152.474   27.299  183.374   23.102 -30.90001 35.76263 
1 1 1  -10    3   31 o  121.812   21.465   20.652   6.5253   28.114   9.4483   13.847   9.0228  140.146   27.006   98.261   31.393 41.88531 41.41100 
1 1 1  -10    3   32 o  102.225   25.277   15.098   6.6556   12.509   9.5759   17.516   9.2570   94.194   32.419  108.394   31.252 -14.19987 45.02956 
1 1 1  -10    3   33 o  123.829   21.764   21.641   6.7262   23.370   9.8612   20.138   9.1981  124.293   30.788  115.503   30.348 8.790436 43.23138 
1 1 1  -10    3   34 o  229.275   20.914   73.131   12.284  111.000   16.958   31.320   17.819  280.272   23.578  133.588   44.223 146.6833 50.11524 
1 1 1  -10    3   35 o   80.027   29.573   8.5789   8.1106  -2.0850   16.338   12.066   9.3431   79.086   36.058   90.522   31.965 -11.43611 48.18676 
1 1 1  -10    3   36 o  110.132   26.508   18.350   7.4708   17.728   10.200   19.070   10.974  105.016   33.360  108.115   34.629 -3.099777 48.08381 
1 1 1  -10    3   37 o   95.212   27.232   13.974   7.0547   22.689   9.5142   3.3304   10.514  119.246   30.638   72.312   31.101 46.93433 43.65687 
1 1 1  -10    3   38 o   54.128   24.294  -1.2644   7.0773   3.3803   10.420  -5.2422   9.6428   71.404   30.835   57.041   26.601 14.36260 40.72367 
1 1 1  -10    3   39 o   65.922   27.407   4.0874   7.7225   4.4590   11.303   3.7621   10.576   73.837   31.999   71.372   30.943 2.464928 44.51297 
1 1 1  -10    3   40 o  156.060   22.564   36.558   8.8565   18.910   12.453   54.623   12.599  100.136   36.702  186.129   26.913 -85.99281 45.51218 
1 1 1  -10    3   41 o   61.254   26.966   1.7986   8.3020   3.9218   11.329  -0.6643   12.201   70.598   31.269   66.250   30.558 4.347603 43.72070 
1 1 1  -10    3   42 o  128.416   25.839   26.828   8.2975   19.438   11.467   34.950   12.021   98.356   35.340  136.507   34.098 -38.15073 49.10757 
1 1 1  -10    3   43 o  112.467   47.034   41.660   22.936   41.660   22.936   0.0000   0.0000  112.467   47.034  ?   ?  0.000000 47.03387 
1 1 1  -10    3   44 o   70.673   29.584   7.7030   9.0861   19.780   13.179  -3.2386   12.544   92.404   36.756   61.112   29.057 31.29194 46.85403 
1 1 1  -10    3   45 o   56.716   26.198  -0.0408   9.0176   6.7863   13.009  -6.3555   12.511   70.488   32.152   57.101   27.628 13.38726 42.39213 
1 1 1  -10    4    1 o  1021.09   13.600  1352.84   35.972  1305.00   61.397  1377.84   44.389  1001.03   23.678  1030.02   16.637 -28.99738 28.93888 
1 1 1  -10    4    2 o  333.037   11.436  143.837   9.8658  147.600   13.798  139.900   14.112  337.168   15.799  327.789   16.675 9.379272 22.97097 
1 1 1  -10    4    3 o  309.607   10.368  124.282   8.3151  132.310   10.610  111.500   13.387  319.359   12.826  292.418   17.758 26.94116 21.90554 
1 1 1  -10    4    4 o  785.976   10.371  800.955   21.115  806.533   30.149  795.585   29.582  788.271   14.765  782.924   14.587 5.347778 20.75530 
1 1 1  -10    4    5 o  511.422   13.307  339.358   17.628  339.358   17.628   0.0000   0.0000  511.422   13.307  ?   ?  0.000000 13.30686 
1 1 1  -10    4    6 o  423.828   11.034  232.940   12.114  225.787   14.592  248.800   21.728  417.140   13.504  437.467   19.174 -20.32681 23.45266 
1 1 1  -10    4    7 o  300.058   12.055  116.786   9.3696  127.200   19.191  113.527   10.736  311.546   23.965  295.762   14.014 15.78391 27.76137 
1 1 1  -10    4    8 o  409.924   9.3898  217.842   9.9703  212.034   14.064  223.709   14.137  404.222   13.432  415.219   13.144 -10.99667 18.79287 
1 1 1  -10    4    9 o  587.755   9.5395  447.874   14.524  453.198   20.774  442.784   20.312  590.930   13.572  584.114   13.425 6.815674 19.08995 
1 1 1  -10    4   10 o  365.385   9.3855  173.089   8.8829  168.567   12.668  177.464   12.459  360.379   13.571  369.799   13.007 -9.420349 18.79747 
1 1 1  -10    4   11 o  792.641   10.498  814.820   21.555  802.949   30.341  826.915   30.628  786.308   14.897  797.968   14.818 -11.65948 21.01133 
1 1 1  -10    4   12 o  853.887   10.905  945.780   24.119  934.673   33.936  957.118   34.286  848.201   15.446  858.329   15.421 -10.12823 21.82630 
1 1 1  -10    4   13 o  613.125   9.8319  487.523   15.615  495.051   22.394  480.400   21.784  617.419   14.002  608.234   13.827 9.184814 19.67844 
1 1 1  -10    4   14 o  649.186   11.344  546.862   19.076  525.800   31.866  558.625   23.815  635.416   19.361  655.805   14.019 -20.38843 23.90344 
1 1 1  -10    4   15 o  600.107   11.360  467.371   17.659  480.723   22.119  443.900   29.326  608.294   14.038  583.711   19.396 24.58270 23.94297 
1 1 1  -10    4   16 o  521.917   14.495  354.057   19.596  339.100   28.058  368.300   27.380  509.730   21.251  531.475   19.888 -21.74512 29.10568 
1 1 1  -10    4   17 o  456.671   9.9318  270.595   11.748  271.593   16.806  269.641   16.430  457.078   14.195  455.463   13.926 1.614166 19.88543 
1 1 1  -10    4   18 o  509.088   9.9563  336.341   13.129  326.690   18.587  345.951   18.548  501.194   14.317  515.821   13.882 -14.62689 19.94210 
1 1 1  -10    4   19 o  258.121   11.820   86.562   7.9033   98.815   11.231   74.543   11.123  274.996   15.834  238.352   18.153 36.64395 24.08816 
1 1 1  -10    4   20 o  163.023   15.399   34.928   6.4256   30.599   9.0061   39.416   9.1705  150.876   23.836  172.275   20.984 -21.39926 31.75677 
1 1 1  -10    4   21 o  161.173   16.159   34.225   6.6555   29.314   9.3628   39.242   9.4626  147.093   25.497  171.599   21.779 -24.50638 33.53258 
1 1 1  -10    4   22 o  300.386   11.477  117.367   8.9298  109.761   12.582  125.087   12.676  289.293   16.863  309.104   15.885 -19.81070 23.16718 
1 1 1  -10    4   23 o  428.165   10.490  238.431   11.634  247.500   16.680  229.839   16.235  435.333   14.792  419.478   14.941 15.85489 21.02497 
1 1 1  -10    4   24 o  350.596   11.295  160.109   10.258  154.805   14.691  165.154   14.329  343.631   16.504  355.167   15.575 -11.53534 22.69298 
1 1 1  -10    4   25 o  162.883   21.181   35.713   8.7252   34.508   10.403   38.570   16.021  158.512   26.257  163.375   38.491 -4.863861 46.59356 
1 1 1  -10    4   26 o  263.604   15.363   91.577   10.445   95.230   21.452   90.442   11.958  261.401   32.374  261.200   17.780 0.2012939 36.93502 
1 1 1  -10    4   27 o   76.619   26.116   7.4771   6.2112   9.3747   9.1190   5.8348   8.4833   87.581   31.510   77.232   29.851 10.34972 43.40466 
1 1 1  -10    4   28 o  268.620   12.398   94.549   8.6263   88.432   11.673  101.910   12.805  257.722   17.590  276.584   17.970 -18.86185 25.14646 
1 1 1  -10    4   29 o  207.475   14.348   56.980   7.6636   64.713   10.910   49.447   10.767  219.277   19.408  190.306   22.264 28.97174 29.53566 
1 1 1  -10    4   30 o   46.116   21.221  -3.9270   5.8357  -0.0751   7.5420  -9.6741   9.2124   60.504   26.180   53.034   25.124 7.470188 36.28534 
1 1 1  -10    4   31 o   70.510   25.785   5.9226   6.1410   10.956   8.4362   0.2487   8.9566   89.331   30.437   65.773   28.495 23.55779 41.69357 
1 1 1  -10    4   32 o  132.878   20.319   24.488   6.7716   25.764   9.4357   23.134   9.7237  132.589   28.333  124.508   30.411 8.081512 41.56469 
1 1 1  -10    4   33 o  106.159   26.404   16.590   7.2304   13.407   10.260   19.730   10.191   96.032   33.528  113.210   32.835 -17.17773 46.92775 
1 1 1  -10    4   34 o   96.077   33.314   13.798   10.121   23.710   12.911  -2.0020   16.301  120.453   37.431   79.813   36.245 40.64047 52.10322 
1 1 1  -10    4   35 o   61.319   27.215  -0.7411   8.6253   11.290   17.697  -4.4894   9.8779   97.157   41.011   59.917   27.585 37.24013 49.42507 
1 1 1  -10    4   36 o  161.572   19.146   36.550   7.8573   36.665   11.700   36.455   10.604  153.615   30.480  155.722   27.283 -2.107178 40.90768 
1 1 1  -10    4   37 o   75.744   28.346   7.7560   7.4982  -1.7932   10.905   16.319   10.327   65.486   29.703   99.950   33.676 -34.46354 44.90370 
1 1 1  -10    4   38 o  202.038   16.757   56.613   8.6903   53.411   12.244   59.863   12.337  188.132   25.805  200.936   24.188 -12.80380 35.36867 
1 1 1  -10    4   39 o   72.275   27.344   7.2610   7.0186   15.356   9.3871  -3.0019   10.569   95.270   32.108   61.594   28.421 33.67570 42.87947 
1 1 1  -10    4   40 o  110.328   28.767   20.264   8.3059   23.637   11.504   16.592   12.004  112.424   35.398   95.011   35.805 17.41235 50.34919 
1 1 1  -10    4   41 o   63.112   26.403   4.0834   7.2312  -3.0090   10.415   10.685   10.048   59.506   27.716   80.828   32.112 -21.32236 42.41868 
1 1 1  -10    4   42 f  114.242   29.547   22.932   8.8092   20.426   12.028   25.831   12.937   99.371   36.125  109.856   37.689 -10.48492 52.20584 
1 1 1  -10    4   43 o  107.786   43.331   32.630   18.517   32.630   18.517   0.0000   0.0000  107.786   43.331  ?   ?  0.000000 43.33125 
1 1 1  -10    4   44 o   59.805   26.738   2.2019   8.4837  -5.1556   11.340   11.553   12.785   56.866   27.201   78.488   34.024 -21.62191 43.56057 
1 1 1  -10    4   45 o   51.381   23.958  -1.8139   7.8162   0.2495   10.368  -4.5300   11.896   59.387   27.658   57.273   27.518 2.113548 39.01526 
1 1 1  -10    5    1 o  206.998   11.168   55.726   5.9661   69.050   14.918   53.189   6.5093  228.745   25.617  202.109   12.495 26.63606 28.50148 
1 1 1  -10    5    2 o  427.712   10.627  237.202   11.774  259.500   23.098  229.374   13.686  446.720   19.961  420.500   12.565 26.21994 23.58634 
1 1 1  -10    5    3 o  433.735   9.0461  243.855   10.163  236.290   14.367  251.433   14.380  426.766   12.996  440.250   12.609 -13.48425 18.10794 
1 1 1  -10    5    4 o  398.772   13.271  206.326   13.708  206.326   13.708   0.0000   0.0000  398.772   13.271  ?   ?  0.000000 13.27097 
1 1 1  -10    5    5 o   63.685   21.280   4.9626   4.1230   0.9617   5.8829   8.8248   5.7801   57.572   23.927   82.117   24.962 -24.54488 34.57690 
1 1 1  -10    5    6 o  729.535   15.075  690.966   28.488  717.900   42.143  668.300   38.659  742.627   21.908  716.689   20.824 25.93854 30.22600 
1 1 1  -10    5    7 o  252.456   10.142   82.637   6.6320   74.919   9.5377   89.861   9.2281  239.708   15.443  262.793   13.603 -23.08417 20.57969 
1 1 1  -10    5    8 o  745.011   10.262  719.711   19.804  709.667   27.928  729.870   28.087  739.349   14.583  749.814   14.461 -10.46478 20.53736 
1 1 1  -10    5    9 o  632.009   9.7192  517.898   15.911  528.084   22.850  508.310   22.169  637.835   13.830  625.795   13.676 12.04016 19.45037 
1 1 1  -10    5   10 o  501.383   9.3259  325.926   12.112  328.924   17.334  323.065   16.930  503.409   13.293  498.921   13.100 4.488556 18.66375 
1 1 1  -10    5   11 o  360.589   9.4674  168.595   8.8429  174.329   12.848  163.433   12.189  366.451   13.535  354.832   13.262 11.61963 18.94961 
1 1 1  -10    5   12 o  482.626   9.4456  302.040   11.808  306.201   17.091  298.239   16.334  485.628   13.586  479.309   13.156 6.318359 18.91235 
1 1 1  -10    5   13 o  1046.46   12.173  1421.29   32.997  1452.88   47.664  1392.22   45.725  1056.85   17.411  1034.64   17.061 22.20972 24.37696 
1 1 1  -10    5   14 o  197.431   15.997   51.010   8.1105   46.590   10.836   56.640   12.230  187.580   22.768  207.010   23.207 -19.42982 32.51116 
1 1 1  -10    5   15 f  141.512   17.036   26.431   6.1194   27.865   8.6945   25.023   8.6142  144.093   24.149  136.151   25.359 7.941132 35.01754 
1 1 1  -10    5   16 o  432.511   15.226  243.276   17.058  214.700   24.491  270.200   23.773  404.516   23.474  455.114   20.166 -50.59857 30.94659 
1 1 1  -10    5   17 o  442.974   10.062  254.640   11.545  257.084   16.546  252.321   16.117  444.644   14.366  440.534   14.124 4.109558 20.14583 
1 1 1  -10    5   18 o  594.441   10.167  458.657   15.655  472.425   22.622  446.003   21.688  602.618   14.492  585.558   14.299 17.05981 20.35876 
1 1 1  -10    5   19 o  334.696   10.735  145.477   9.3070  143.132   13.420  147.649   12.918  331.488   15.630  336.776   14.809 -5.288025 21.53080 
1 1 1  -10    5   20 o  493.242   10.088  315.938   12.889  317.256   18.483  314.690   17.982  493.576   14.457  491.638   14.120 1.938538 20.20852 
1 1 1  -10    5   21 o  172.563   15.658   39.162   6.9230   29.880   9.6358   49.064   9.9530  148.348   26.025  192.432   20.273 -44.08316 32.98901 
1 1 1  -10    5   22 o  355.620   10.758  164.445   9.9102  159.492   14.075  169.313   13.956  349.471   15.549  360.181   14.958 -10.71014 21.57584 
1 1 1  -10    5   23 o  319.513   11.194  132.888   9.2642  123.170   13.689  141.099   12.584  306.062   17.338  328.624   14.783 -22.56116 22.78480 
1 1 1  -10    5   24 o  189.283   16.869   47.383   8.1843   41.960   12.658   51.280   10.729  174.496   29.023  195.751   21.514 -21.25504 36.12772 
1 1 1  -10    5   25 o   52.128   23.807  -4.3645   7.1607 -11.0884   8.5485   11.450   13.110   49.498   23.660  100.203   37.485 -50.70572 44.32761 
1 1 1  -10    5   26 o  232.809   16.461   71.735   9.8629   80.380   20.291   69.060   11.286  238.862   33.734  227.484   19.336 11.37770 38.88240 
1 1 1  -10    5   27 o  135.207   18.947   24.712   6.4534   34.279   9.6450   16.958   8.6835  157.777   24.386  109.168   29.850 48.60966 38.54503 
1 1 1  -10    5   28 o  151.272   18.097   30.797   6.9504   43.142   9.6963   17.751   9.9680  178.175   21.440  111.076   32.547 67.09838 38.97394 
1 1 1  -10    5   29 o  148.179   18.107   29.648   6.8055   33.763   9.4192   25.154   9.8435  155.996   24.086  132.132   29.506 23.86385 38.08874 
1 1 1  -10    5   30 o  193.199   15.153   49.719   7.5223   49.637   10.506   49.805   10.776  190.342   21.695  190.395   22.271 -0.5310059E-01 31.09126 
1 1 1  -10    5   31 o  108.986   23.343   16.859   6.3914   15.395   9.1535   18.252   8.9284  102.501   31.462  111.185   30.213 -8.683762 43.61951 
1 1 1  -10    5   32 o   97.567   25.490   13.828   6.5128   21.009   9.4168   7.2443   9.0172  118.339   30.521   79.745   30.789 38.59350 43.35360 
1 1 1  -10    5   33 o   94.667   27.762   13.263   7.2499   11.813   10.187   14.750   10.320   91.760   33.262   99.279   33.664 -7.519035 47.32515 
1 1 1  -10    5   34 o   97.871   34.144   14.522   10.640   14.522   10.640   0.0000   0.0000   97.871   34.144  ?   ?  0.000000 34.14409 
1 1 1  -10    5   35 o   73.198   29.014   5.9183   8.1852   18.520   17.180   2.2177   9.3098  107.301   42.191   68.302   29.317 38.99894 51.37721 
1 1 1  -10    5   36 o   51.287   23.150  -1.9925   6.5318  -5.8492   9.1594   1.9983   9.3173   55.401   25.867   67.459   29.145 -12.05810 38.96773 
1 1 1  -10    5   37 o   71.769   27.960   6.3199   7.4879   2.3411   10.349   10.691   10.847   69.965   30.470   86.441   33.659 -16.47526 45.40219 
1 1 1  -10    5   38 o  105.498   27.490   17.599   7.5880   21.220   11.365   14.687   10.193  110.045   35.241   94.235   33.376 15.80926 48.53680 
1 1 1  -10    5   39 o  165.072   19.554   39.273   8.1987   36.853   12.556   41.072   10.825  145.882   33.878  162.249   26.684 -16.36676 43.12481 
1 1 1  -10    5   40 o  160.541   22.110   38.686   8.9507   55.373   12.898   23.185   12.431  185.740   27.651  108.933   36.948 76.80699 46.14909 
1 1 1  -10    5   41 o  118.363   27.355   23.256   8.2188   24.633   10.602   21.183   13.011  114.759   33.549  101.191   37.444 13.56842 50.27465 
1 1 1  -10    5   42 o   50.063   23.763  -5.5220   8.3207  -6.1960   12.566  -4.9957   11.104   60.029   28.692   58.008   27.510 2.021347 39.74931 
1 1 1  -10    5   43 o   77.536   37.198   4.4490   21.562   4.4490   21.562   0.0000   0.0000   77.536   37.198  ?   ?  0.000000 37.19822 
1 1 1  -10    5   44 o   64.293   27.993   4.7822   8.7295  -1.2355   12.980   9.7512   11.795   63.107   29.875   75.034   32.604 -11.92735 44.22119 
1 1 1  -10    5   45 o   61.712   27.671   3.6800   9.1569  -1.0147   12.970   8.3455   12.930   61.683   29.390   71.400   32.368 -9.717346 43.72023 
1 1 1  -10    6    1 f  641.106   11.063  533.003   18.371  592.600   35.996  512.013   21.363  674.946   20.589  628.193   13.128 46.75372 24.41843 
1 1 1  -10    6    2 o   71.073   21.317   6.6318   4.2362   46.660   15.406   3.3578   4.4060  186.038   33.187   58.392   21.753 127.6459 39.68087 
1 1 1  -10    6    3 o  537.903   9.5887  375.100   13.360  372.400   29.201  375.815   15.025  534.977   21.073  538.347   10.775 -3.370789 23.66745 
1 1 1  -10    6    4 o  554.852   9.4592  399.105   13.595  395.293   19.298  402.860   19.155  551.924   13.499  557.200   13.272 -5.275940 18.93007 
1 1 1  -10    6    5 o  230.200   14.664   69.069   8.6985   69.069   8.6985   0.0000   0.0000  230.200   14.664  ?   ?  0.000000 14.66409 
1 1 1  -10    6    6 o  334.290   15.654  145.124   13.555  171.400   20.917  126.100   17.798  362.100   22.411  310.394   22.285 51.70596 31.60511 
1 1 1  -10    6    7 o  673.494   9.9198  588.130   17.306  580.234   24.605  595.859   24.345  668.566   14.208  677.544   13.871 -8.978271 19.85630 
1 1 1  -10    6    8 o  222.082   10.599   63.962   6.0970   56.686   8.8396   70.564   8.4205  208.225   16.525  232.727   14.034 -24.50153 21.67977 
1 1 1  -10    6    9 o  751.174   10.293  731.751   20.027  733.130   28.546  730.414   28.105  751.381   14.667  750.015   14.466 1.366577 20.60092 
1 1 1  -10    6   10 o  701.922   10.071  638.939   18.310  622.594   25.740  655.683   26.052  692.424   14.351  710.611   14.153 -18.18726 20.15600 
1 1 1  -10    6   11 o  271.195   10.249   95.389   7.1998   91.710   10.173   99.081   10.191  265.296   14.863  275.841   14.313 -10.54535 20.63413 
1 1 1  -10    6   12 f  246.678   10.753   78.940   6.8707   84.399   9.9955   74.050   9.4598  254.404   15.238  238.219   15.413 16.18524 21.67414 
1 1 1  -10    6   13 o  617.180   11.198  494.268   17.902  493.300   30.216  494.791   22.223  615.496   18.952  617.192   13.900 -1.696533 23.50360 
1 1 1  -10    6   14 o  411.420   18.251  220.400   19.450   0.0000   0.0000  220.400   19.450  ?   ?   411.420   18.251 0.000000 18.25100 
1 1 1  -10    6   15 f  748.613   10.538  727.224   20.435  748.146   29.677  708.357   28.181  758.541   15.104  738.163   14.739 20.37738 21.10339 
1 1 1  -10    6   16 o  438.537   15.471  250.191   17.574  239.100   26.016  259.500   23.834  426.810   23.624  445.847   20.637 -19.03738 31.36886 
1 1 1  -10    6   17 o  389.639   14.196  197.435   14.328   0.0000   0.0000  197.435   14.328  ?   ?   389.639   14.196 0.000000 14.19646 
1 1 1  -10    6   18 o  777.449   10.775  784.855   21.698  787.528   31.041  782.301   30.342  777.722   15.409  775.215   15.110 2.506775 21.58136 
1 1 1  -10    6   19 o  532.059   9.9842  367.547   13.760  368.249   19.749  366.884   19.183  531.871   14.334  530.956   13.948 0.9154053 20.00057 
1 1 1  -10    6   20 o  352.223   10.608  161.182   9.6785  166.477   14.019  156.360   13.378  357.383   15.144  346.386   14.910 10.99652 21.25218 
1 1 1  -10    6   21 o   95.508   24.998   12.487   6.2566   19.593   9.1572   6.2651   8.5684  119.048   29.773   79.802   30.208 39.24551 42.41387 
1 1 1  -10    6   22 o  253.303   12.651   83.587   8.3007   80.128   11.858   86.911   11.624  246.473   18.713  257.018   17.564 -10.54454 25.66490 
1 1 1  -10    6   23 o  438.488   10.583  250.219   12.021  244.561   17.063  255.795   16.938  432.392   15.234  442.340   14.783 -9.947418 21.22767 
1 1 1  -10    6   24 o  136.232   24.469   25.445   8.3173   25.240   11.081   25.710   12.587  133.601   32.362  134.263   35.610 -0.6614990 48.11832 
1 1 1  -10    6   25 o  242.099   16.096   77.378   10.037   76.286   12.152   79.720   17.803  239.227   19.787  240.741   29.143 -1.514267 35.22614 
1 1 1  -10    6   26 o  332.593   11.324  144.488   9.7559  136.359   13.652  152.970   13.946  321.198   16.464  340.858   15.795 -19.66083 22.81598 
1 1 1  -10    6   27 o  178.123   16.412   42.244   7.4873   30.996   10.621   53.355   10.556  148.089   28.726  198.824   20.805 -50.73569 35.46836 
1 1 1  -10    6   28 o  253.827   12.918   84.796   8.4657   89.416   11.998   80.215   11.947  258.753   18.013  244.596   19.005 14.15782 26.18535 
1 1 1  -10    6   29 o  110.074   24.102   17.098   6.6816   27.029   9.4655   7.2356   9.4329  137.728   27.495   81.980   31.536 55.74810 41.83914 
1 1 1  -10    6   30 o  131.635   20.330   23.866   6.7088   24.844   9.6736   22.959   9.3121  130.631   29.309  125.533   29.190 5.097717 41.36555 
1 1 1  -10    6   31 f  176.689   16.000   41.949   7.2436   36.269   9.7366   48.989   10.840  160.547   24.162  187.778   22.750 -27.23105 33.18666 
1 1 1  -10    6   32 o   39.423   19.163  -9.9781   6.2005  -7.9663   8.3059 -12.5106   9.3190   50.811   24.006   49.904   24.072 0.9065971 33.99693 
1 1 1  -10    6   33 o   56.489   24.761  -0.4026   6.9330  -5.2200   10.089   3.9085   9.5437   60.241   27.786   72.959   30.411 -12.71782 41.19319 
1 1 1  -10    6   34 o   79.934   31.033   7.8235   9.1999   7.8235   9.1999   0.0000   0.0000   79.934   31.033  ?   ?  0.000000 31.03314 
1 1 1  -10    6   35 o   37.012   18.171 -11.0421   5.9976   2.8905   8.6405 -23.9966   8.3317   67.617   28.605   37.300   18.786 30.31678 34.22253 
1 1 1  -10    6   36 o  134.013   23.534   26.351   7.8714   18.243   10.925   35.104   11.351  105.101   34.619  149.768   30.299 -44.66766 46.00594 
1 1 1  -10    6   37 f  174.653   18.133   42.728   8.0839   32.274   12.063   51.250   10.891  139.056   33.817  187.427   22.910 -48.37102 40.84664 
1 1 1  -10    6   38 f  206.911   16.967   59.695   9.0134   60.045   13.013   59.372   12.497  198.639   25.907  198.685   24.824 -0.4614258E-01 35.88018 
1 1 1  -10    6   39 o  109.591   28.154   19.617   8.0346   14.428   11.567   24.455   11.169   91.404   34.979  116.369   34.548 -24.96455 49.16338 
1 1 1  -10    6   40 o  155.398   22.707   36.685   8.8704   28.713   12.435   44.945   12.658  121.835   36.517  162.309   31.241 -40.47470 48.05711 
1 1 1  -10    6   41 o   85.150   29.578   12.623   7.9800   9.9215   10.817   15.848   11.821   78.918   32.592   90.580   35.174 -11.66160 47.95211 
1 1 1  -10    6   42 o   65.099   29.033   3.0026   9.9379  -0.1784   15.327   5.3101   13.054   69.589   32.796   72.569   32.744 -2.979622 46.34446 
1 1 1  -10    6   43 o   55.152   26.748  -9.0730   11.900  -9.2620   17.634  -8.9150   16.124   64.731   31.650   62.846   30.627 1.885185 44.04251 
1 1 1  -10    6   44 o   90.725   30.590   16.309   8.5205   21.158   12.405   11.977   11.724   94.266   36.188   77.964   33.166 16.30198 49.08710 
1 1 1  -10    6   45 o  115.403   30.254   26.206   9.1544   25.930   12.815   26.493   13.082   99.495   37.092   99.852   37.427 -0.3568802 52.69346 
1 1 1  -10    7    1 o  649.509   11.149  547.109   18.757  638.800   37.605  516.742   21.642  700.675   20.720  631.052   13.240 69.62238 24.58848 
1 1 1  -10    7    2 o  438.286   9.3166  249.027   10.577  252.500   23.924  248.183   11.792  440.488   20.968  437.492   10.406 2.996185 23.40780 
1 1 1  -10    7    3 o  490.733   20.943  313.400   26.622  313.400   26.622   0.0000   0.0000  490.733   20.943  ?   ?  0.000000 20.94317 
1 1 1  -10    7    4 o  719.710   10.157  671.638   18.936  730.900   41.550  656.102   21.274  749.310   21.407  711.218   11.548 38.09198 24.32295 
1 1 1  -10    7    5 o  523.265   14.256  355.440   19.322  347.200   27.839  363.100   26.841  516.490   20.808  528.329   19.613 -11.83850 28.59459 
1 1 1  -10    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    7    7 o  512.157   9.3307  340.079   12.379  348.976   17.830  331.801   17.199  518.536   13.275  505.626   13.132 12.90964 18.67233 
1 1 1  -10    7    8 o  769.437   10.409  767.805   20.745  765.432   29.520  770.120   29.159  767.714   14.845  770.093   14.618 -2.379150 20.83354 
1 1 1  -10    7    9 o  745.141   10.328  720.104   19.935  740.189   28.870  701.802   27.559  754.918   14.764  735.122   14.473 19.79584 20.67459 
1 1 1  -10    7   10 o  441.534   9.4446  252.797   10.802  254.991   15.510  250.730   15.052  443.166   13.511  439.471   13.223 3.695038 18.90501 
1 1 1  -10    7   11 o  312.053   10.103  126.301   8.1661  144.962   12.061  110.508   11.096  334.093   13.937  291.282   14.755 42.81128 20.29652 
1 1 1  -10    7   12 o  489.834   10.758  311.295   13.650  327.000   23.177  302.955   16.890  501.276   17.850  482.987   13.500 18.28949 22.38038 
1 1 1  -10    7   13 o  249.024   12.924   80.745   8.3080   70.700   10.670   96.210   13.240  232.374   17.864  271.122   18.972 -38.74756 26.05844 
1 1 1  -10    7   14 o  473.050   9.7822  290.298   11.986  269.454   16.686  312.521   17.230  455.346   14.147  490.454   13.562 -35.10791 19.59779 
1 1 1  -10    7   15 o  481.696   11.755  301.277   14.668  291.519   17.632  323.200   26.429  473.534   14.375  497.630   20.503 -24.09558 25.04052 
1 1 1  -10    7   16 o  422.086   12.141  231.417   13.274  186.000   25.803  247.763   15.480  375.399   26.709  436.566   13.689 -61.16681 30.01274 
1 1 1  -10    7   17 o  722.427   10.559  677.573   19.759  677.640   28.348  677.509   27.556  721.538   15.167  721.567   14.743 -0.2905273E-01 21.15179 
1 1 1  -10    7   18 o  173.183   21.472   39.851   9.4258   39.851   9.4258   0.0000   0.0000  173.183   21.472  ?   ?  0.000000 21.47246 
1 1 1  -10    7   19 o  154.555   16.620   31.516   6.5492   31.156   9.2568   31.876   9.2672  152.108   24.313  153.961   24.022 -1.852982 34.17825 
1 1 1  -10    7   20 o  245.938   12.503   78.905   7.9392   79.292   11.417   78.544   11.047  245.585   18.074  244.520   17.559 1.064270 25.19919 
1 1 1  -10    7   21 o  134.512   19.776   24.232   6.6848   20.988   9.3746   27.588   9.5351  123.071   29.738  142.006   26.907 -18.93511 40.10423 
1 1 1  -10    7   22 o  316.355   16.249  131.313   13.271   0.0000   0.0000  131.313   13.271  ?   ?   316.355   16.249 0.000000 16.24941 
1 1 1  -10    7   23 o  284.977   13.211  106.034   9.7519  116.700   15.769   99.429   12.409  296.575   20.656  274.585   17.539 21.98984 27.09738 
1 1 1  -10    7   24 o  198.872   17.188   52.407   8.7670   56.763   11.208   45.540   14.072  205.819   21.333  180.645   31.201 25.17378 37.79687 
1 1 1  -10    7   25 o   84.977   34.353   5.4706   11.710   4.1050   19.898   6.1940   14.483  101.126   43.118   92.743   37.938 8.382912 57.43284 
1 1 1  -10    7   26 o  239.158   13.260   75.213   8.1822   75.797   11.634   74.641   11.510  238.216   19.013  236.403   18.955 1.812637 26.84749 
1 1 1  -10    7   27 o  290.930   12.314  110.914   9.2800  117.754   13.435  104.672   12.833  297.524   17.510  280.347   17.764 17.17722 24.94320 
1 1 1  -10    7   28 o  384.826   10.845  193.743   10.810  191.893   15.132  195.672   15.449  381.081   15.329  384.728   15.503 -3.647430 21.80196 
1 1 1  -10    7   29 o   72.093   26.615   6.0223   6.5663   1.8436   9.0891   10.584   9.4966   69.470   29.361   90.139   32.184 -20.66945 43.56480 
1 1 1  -10    7   30 o  228.458   13.637   69.190   8.0331   68.600   11.516   69.749   11.211  224.551   20.008  226.829   19.264 -2.278458 27.77400 
1 1 1  -10    7   31 o  100.524   26.001   14.686   6.8211   13.773   9.1779   15.812   10.195   97.275   31.716  103.242   33.411 -5.967163 46.06736 
1 1 1  -10    7   32 o   71.512   26.376   6.2785   6.4459   13.964   8.4383  -4.4888   9.9882   96.926   30.284   61.115   27.989 35.81138 41.23691 
1 1 1  -10    7   33 o   69.938   26.844   5.5885   6.8250   0.6792   9.2446   11.470   10.119   66.034   28.777   90.240   33.083 -24.20561 43.84760 
1 1 1  -10    7   34 o   45.138   22.487 -23.5436   10.485 -23.1300   16.566 -23.8200   13.544   62.492   30.581   54.247   26.763 8.245010 40.63835 
1 1 1  -10    7   35 o  160.767   18.772   36.100   7.6700   34.934   10.488   37.440   11.246  152.050   27.647  156.618   28.781 -4.567917 39.90870 
1 1 1  -10    7   36 o   37.955   18.547 -10.0706   6.0287   2.4490   8.6682 -21.8004   8.3903   66.175   28.343   38.589   19.357 27.58613 34.32239 
1 1 1  -10    7   37 o   56.425   24.682   0.4360   6.8574   7.4813   8.7526 -10.7629   11.035   76.187   30.065   55.443   26.602 20.74445 40.14441 
1 1 1  -10    7   38 o   61.851   25.757   3.2676   6.8372   14.535   8.8393 -13.5133   10.788   93.490   31.156   51.824   25.210 41.66579 40.07836 
1 1 1  -10    7   39 o   77.538   27.974   9.3414   7.1932   1.1423   9.9357   18.372   10.428   64.822   28.961  100.793   33.841 -35.97033 44.54166 
1 1 1  -10    7   40 o   82.086   28.943   11.255   7.6571   15.201   10.042   5.7727   11.836   91.345   33.037   73.911   32.376 17.43380 46.25645 
1 1 1  -10    7   41 o   56.764   25.611   0.0525   7.9846   3.1527   10.809  -3.6711   11.846   67.393   30.151   61.197   28.839 6.196583 41.72248 
1 1 1  -10    7   42 o   70.578   30.567   6.3903   10.299   1.2740   13.782   12.860   15.499   68.464   31.886   82.908   36.654 -14.44416 48.58268 
1 1 1  -10    7   43 o   93.541   34.817   19.041   11.282   3.4420   21.888   24.686   13.166   75.617   36.577  101.918   37.675 -26.30128 52.51012 
1 1 1  -10    7   44 o  122.805   32.979   30.711   10.712   39.510   17.386   25.326   13.601  113.700   43.033   98.858   37.906 14.84199 57.34674 
1 1 1  -10    7   45 o   86.694   32.448   17.173   9.8261   25.320   16.567   12.751   12.205   88.897   38.633   75.709   33.027 13.18783 50.82661 
1 1 1  -10    8    1 o  591.995   9.5321  454.370   14.617  509.200   32.878  440.863   16.318  625.544   20.291  583.042   10.805 42.50195 22.98813 
1 1 1  -10    8    2 o  387.601   9.2982  194.771   9.3354  219.200   21.636  189.182   10.348  410.413   20.352  381.949   10.459 28.46420 22.88240 
1 1 1  -10    8    3 o  603.705   9.6448  472.544   15.082  514.800   33.305  461.643   16.916  628.926   20.444  596.608   10.946 32.31873 23.18970 
1 1 1  -10    8    4 o  328.113   12.024  139.673   10.220  132.300   19.724  142.378   11.948  317.610   24.156  331.178   13.928 -13.56775 27.88391 
1 1 1  -10    8    5 o  497.123   20.478  321.700   26.370  321.700   26.370   0.0000   0.0000  497.123   20.478  ?   ?  0.000000 20.47817 
1 1 1  -10    8    6 o  483.446   11.005  303.159   13.781  309.500   26.316  300.763   16.177  487.529   20.839  481.391   12.973 6.138123 24.54713 
1 1 1  -10    8    7 o  490.341   9.3709  311.749   11.902  310.727   17.029  312.726   16.642  489.246   13.437  490.847   13.089 -1.600586 18.75875 
1 1 1  -10    8    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    8    9 o  604.693   9.7775  474.202   15.315  459.989   21.614  488.531   21.703  595.148   14.021  613.377   13.660 -18.22833 19.57454 
1 1 1  -10    8   10 o  217.504   11.422   61.555   6.4129   64.317   9.2553   59.004   8.8938  221.837   16.219  212.419   16.288 9.418045 22.98608 
1 1 1  -10    8   11 o  784.682   12.085  799.228   24.563  805.500   42.066  795.984   30.256  786.084   20.659  782.633   14.925 3.450684 25.48610 
1 1 1  -10    8   12 o  450.943   12.695  264.050   14.829  264.500   20.974  263.600   20.968  450.745   17.964  449.974   17.989 0.7707520 25.42260 
1 1 1  -10    8   13 f  495.413   9.8486  318.401   12.638  329.609   18.437  308.466   17.358  503.616   14.134  487.240   13.753 16.37619 19.72087 
1 1 1  -10    8   14 o  455.779   13.788  269.983   16.278   0.0000   0.0000  269.983   16.278  ?   ?   455.779   13.788 0.000000 13.78769 
1 1 1  -10    8   15 o  445.443   15.450  258.193   17.827  233.400   25.285  282.700   25.138  421.651   23.240  465.207   20.861 -43.55655 31.22931 
1 1 1  -10    8   16 o  333.993   10.654  144.826   9.2169  134.877   13.236  154.192   12.842  321.841   15.877  344.279   14.401 -22.43805 21.43482 
1 1 1  -10    8   17 o  779.940   10.852  790.012   21.924  788.818   31.260  791.168   30.756  778.239   15.507  779.474   15.233 -1.235046 21.73713 
1 1 1  -10    8   18 o  515.449   9.9325  344.980   13.262  348.519   19.104  341.689   18.424  517.391   14.254  512.365   13.882 5.025696 19.89724 
1 1 1  -10    8   19 o  312.237   11.040  126.709   8.9287  120.124   12.820  132.912   12.442  302.944   16.398  319.310   15.043 -16.36636 22.25332 
1 1 1  -10    8   20 o  300.885   11.336  117.743   8.8347  112.274   12.737  122.814   12.265  292.600   16.877  306.357   15.506 -13.75677 22.91859 
1 1 1  -10    8   21 o  191.297   14.778   48.060   7.2659   42.464   10.235   53.745   10.317  178.011   22.715  201.249   20.058 -23.23763 30.30290 
1 1 1  -10    8   22 o   96.635   25.327   12.882   6.4166   11.830   8.8779   14.032   9.2845   95.048   31.203  101.859   31.756 -6.811203 44.52032 
1 1 1  -10    8   23 o  408.144   13.753  217.815   14.540  214.400   20.181  221.500   20.965  403.071   19.329  409.517   19.764 -6.446533 27.64505 
1 1 1  -10    8   24 o  263.794   12.754   90.981   8.7151   86.288   12.321   95.682   12.330  254.853   18.796  268.770   17.811 -13.91777 25.89435 
1 1 1  -10    8   25 o  203.329   26.497   56.834   13.624   66.020   22.000   51.120   17.351  211.210   41.691  187.748   36.994 23.46173 55.73793 
1 1 1  -10    8   26 o  172.555   24.123   40.896   10.488   0.0000   0.0000   40.896   10.488  ?   ?   172.555   24.123 0.000000 24.12348 
1 1 1  -10    8   27 o  219.809   13.925   63.814   7.8873   73.276   11.501   55.415   10.837  233.644   19.173  202.255   20.991 31.38881 28.42908 
1 1 1  -10    8   28 o  162.120   17.223   35.317   7.1217   44.441   10.058   26.142   10.086  180.151   22.011  134.491   29.741 45.65996 36.99978 
1 1 1  -10    8   29 f  209.159   15.100   58.256   8.1261   53.150   11.495   63.356   11.489  196.207   23.056  215.584   20.834 -19.37624 31.07529 
1 1 1  -10    8   30 o  286.215   12.004  107.857   8.8997  115.051   13.160  101.795   12.081  292.499   17.449  275.323   17.023 17.17596 24.37747 
1 1 1  -10    8   31 o  264.371   12.712   92.436   8.7049   95.167   12.700   90.016   11.955  264.544   18.652  257.657   18.027 6.887146 25.93977 
1 1 1  -10    8   32 o  140.493   29.606   29.652   10.434   0.0000   0.0000   29.652   10.434  ?   ?   140.493   29.606 0.000000 29.60615 
1 1 1  -10    8   33 o  105.801   30.453   17.282   8.7963   8.2240   11.689   29.110   13.357   84.954   34.331  132.663   37.307 -47.70915 50.69954 
1 1 1  -10    8   34 o   80.280   33.330   6.3936   11.398   19.180   20.142   0.3692   13.825  109.005   44.683   76.131   34.077 32.87370 56.19472 
1 1 1  -10    8   35 o   74.971   27.251   7.7040   6.8443   1.9048   10.474   12.025   9.0416   70.082   30.584   89.023   31.445 -18.94059 43.86497 
1 1 1  -10    8   36 o   85.245   28.976   11.111   7.6460   27.101   10.402  -7.6795   11.277  129.370   31.367   59.409   28.039 69.96109 42.07199 
1 1 1  -10    8   37 o  206.873   16.345   59.290   8.6872   70.072   12.885   50.304   11.763  218.161   23.154  182.231   25.628 35.93018 34.53878 
1 1 1  -10    8   38 o  130.250   25.957   26.482   8.4502   23.797   12.023   29.103   11.879  113.427   36.239  127.571   34.926 -14.14377 50.32987 
1 1 1  -10    8   39 o   62.799   27.198   2.6330   8.1549   13.629   11.572  -8.2170   11.494   88.351   34.663   57.371   27.427 30.97964 44.20116 
1 1 1  -10    8   40 o   58.162   25.991   0.6380   8.0066  -2.0583   11.652   3.0504   11.021   63.050   29.349   68.237   30.493 -5.186855 42.32262 
1 1 1  -10    8   41 o   52.121   24.299  -3.0802   8.0351  -1.2830   10.911  -5.2094   11.877   61.468   28.542   59.384   28.246 2.083790 40.15627 
1 1 1  -10    8   42 o   65.344   30.330   0.8190   12.302   0.8190   12.302   0.0000   0.0000   65.344   30.330  ?   ?  0.000000 30.32996 
1 1 1  -10    8   43 o  124.756   36.550   34.055   12.571   0.0000   0.0000   34.055   12.571  ?   ?   124.756   36.550 0.000000 36.55007 
1 1 1  -10    8   44 o   91.296   32.650   18.254   9.7773   0.6372   16.051   28.647   12.328   66.504   31.956  108.612   36.795 -42.10757 48.73429 
1 1 1  -10    9    1 o  733.540   10.168  697.787   19.319  773.600   42.761  678.343   21.655  770.672   21.420  723.113   11.561 47.55945 24.34112 
1 1 1  -10    9    2 o  519.621   9.5037  350.092   12.792  319.700   26.780  359.075   14.560  495.493   20.865  526.168   10.683 -30.67514 23.44130 
1 1 1  -10    9    3 o  647.901   20.682  546.600   34.710  546.600   34.710   0.0000   0.0000  647.901   20.682  ?   ?  0.000000 20.68208 
1 1 1  -10    9    4 o  532.241   11.118  367.471   15.327  418.000   29.906  349.471   17.850  566.602   20.377  518.867   13.281 47.73480 24.32283 
1 1 1  -10    9    5 o  294.138   10.353  112.209   7.8882  123.900   18.764  109.700   8.6937  307.268   23.760  290.780   11.542 16.48724 26.41545 
1 1 1  -10    9    6 o  742.925   10.436  715.885   20.082  753.100   42.992  705.499   22.712  760.123   21.835  737.356   11.892 22.76666 24.86320 
1 1 1  -10    9    7 o  383.039   11.365  190.362   11.276  171.400   22.079  197.053   13.116  361.628   23.702  389.606   12.996 -27.97827 27.03111 
1 1 1  -10    9    8 o  302.218   13.855  118.618   10.846   0.0000   0.0000  118.618   10.846  ?   ?   302.218   13.855 0.000000 13.85491 
1 1 1  -10    9    9 o  321.628   9.9477  134.174   8.2875  136.369   12.228  132.309   11.271  323.975   14.571  319.178   13.633 4.796387 19.95413 
1 1 1  -10    9   10 o  275.617   11.414   98.585   8.1491  110.400   13.132   91.187   10.392  290.746   17.519  264.429   15.236 26.31644 23.21753 
1 1 1  -10    9   11 o  618.568   11.584  496.650   18.561  494.438   23.403  500.400   30.475  616.784   14.648  619.753   18.983 -2.969299 23.97783 
1 1 1  -10    9   12 o  395.427   10.017  202.865   10.260  204.218   14.927  201.654   14.126  396.362   14.539  393.933   13.844 2.428772 20.07578 
1 1 1  -10    9   13 o  343.280   10.314  152.922   9.1716  146.151   13.203  159.236   12.750  335.208   15.206  350.000   14.064 -14.79254 20.71213 
1 1 1  -10    9   14 o  122.760   20.766   20.215   6.3679   18.753   9.0211   21.667   8.9902  117.079   29.700  125.929   28.256 -8.849937 40.99366 
1 1 1  -10    9   15 o  127.214   26.178   22.023   8.3387   27.150   19.176   20.827   9.2600  142.674   45.786  123.262   29.412 19.41219 54.41927 
1 1 1  -10    9   16 o  449.145   14.442  262.535   16.802  262.535   16.802   0.0000   0.0000  449.145   14.442  ?   ?  0.000000 14.44167 
1 1 1  -10    9   17 o  427.157   10.349  236.960   11.451  234.537   16.498  239.213   15.907  424.331   15.010  428.650   14.326 -4.318359 20.74953 
1 1 1  -10    9   18 o  773.914   15.406  780.916   30.885   0.0000   0.0000  780.916   30.885  ?   ?   773.914   15.406 0.000000 15.40626 
1 1 1  -10    9   19 o  372.395   14.903  180.871   14.376   0.0000   0.0000  180.871   14.376  ?   ?   372.395   14.903 0.000000 14.90331 
1 1 1  -10    9   20 o  456.832   10.421  271.347   12.332  270.962   17.865  271.697   17.044  455.526   15.140  456.316   14.420 -0.7901611 20.90852 
1 1 1  -10    9   21 o  468.529   10.422  285.589   12.648  309.079   18.597  265.373   17.252  486.321   14.763  450.621   14.780 35.69931 20.89012 
1 1 1  -10    9   22 o   73.689   26.368   6.3041   6.3775   6.8960   9.7200   5.8567   8.4508   83.647   32.051   77.897   29.877 5.750381 43.81693 
1 1 1  -10    9   23 o   58.177   25.184  -0.5401   6.9846  -4.2539   9.1330   4.6920   10.840   60.469   27.327   81.538   33.022 -21.06837 42.86301 
1 1 1  -10    9   24 o  114.234   27.741   18.390   8.1266   23.142   9.4820   5.2400   15.773  127.905   29.255   93.966   39.126 33.93855 48.85337 
1 1 1  -10    9   25 o  343.610   14.202  155.123   12.640  108.000   24.901  171.481   14.671  274.755   35.841  360.702   15.702 -85.94727 39.13004 
1 1 1  -10    9   26 o  274.710   12.472   98.944   8.8751  107.343   12.641   90.780   12.463  284.069   17.262  260.599   18.585 23.47028 25.36470 
1 1 1  -10    9   27 o  289.150   12.235  109.702   9.1635  102.596   12.967  116.791   12.952  276.937   18.177  296.146   16.954 -19.20880 24.85637 
1 1 1  -10    9   28 o  288.655   11.816  109.379   8.8350  116.700   12.869  102.851   12.151  295.670   16.873  277.459   16.989 18.21140 23.94412 
1 1 1  -10    9   29 o  215.881   14.708   62.048   8.1754   54.702   11.675   69.114   11.451  198.709   23.115  225.476   19.808 -26.76701 30.44084 
1 1 1  -10    9   30 o  237.876   13.623   75.188   8.3593   76.599   11.860   73.795   11.784  237.024   19.489  232.460   19.758 4.564285 27.75253 
1 1 1  -10    9   31 o  151.899   19.287   31.852   7.4176   38.780   10.409   24.705   10.573  164.472   25.239  126.945   32.126 37.52728 40.85434 
1 1 1  -10    9   32 o  204.115   16.114   56.469   8.4504   64.530   13.522   51.303   10.825  211.889   25.126  190.684   22.338 21.20552 33.62025 
1 1 1  -10    9   33 o  146.845   20.963   30.524   7.7475   35.829   10.783   24.862   11.139  154.555   27.963  124.311   33.733 30.24354 43.81607 
1 1 1  -10    9   34 o   52.265   24.169  -4.3221   7.7062  -5.2460   18.638  -4.1316   8.4635   79.206   36.953   55.282   25.482 23.92440 44.88710 
1 1 1  -10    9   35 o   66.760   26.913   4.5302   7.1645   6.3979   9.9401   2.5108   10.336   76.612   31.396   70.407   30.557 6.204483 43.81079 
1 1 1  -10    9   36 o   95.721   28.461   14.542   7.5759   13.851   10.975   15.171   10.471   92.737   34.374   95.874   33.842 -3.137131 48.23764 
1 1 1  -10    9   37 o  152.607   22.227   34.371   8.5281   49.545   12.147   19.624   11.976  178.691   27.094  104.357   36.235 74.33345 45.24401 
1 1 1  -10    9   38 o  124.267   26.020   24.382   8.1070   28.145   11.260   20.333   11.681  125.686   33.837  104.347   35.812 21.33837 49.26868 
1 1 1  -10    9   39 o   65.123   27.329   4.4171   7.7844   4.9104   11.004   3.9230   11.014   71.587   31.291   70.105   30.951 1.482430 44.01282 
1 1 1  -10    9   40 o   67.255   28.423   5.2714   8.5166   2.3238   11.779   8.5003   12.328   67.953   30.840   77.211   33.441 -9.257874 45.49067 
1 1 1  -10    9   41 o  112.758   30.765   23.398   9.2354   43.270   15.586   12.645   11.465  138.051   40.769   82.248   33.713 55.80323 52.90254 
1 1 1  -10    9   42 o   53.009   25.866 -10.7367   11.605   7.7870   14.374 -45.4200   19.669   74.720   33.972   52.636   26.766 22.08406 43.24961 
1 1 1  -10    9   43 o   68.043   29.677   6.6049   9.8499   39.910   16.442 -12.0403   12.302  118.947   42.361   52.752   25.924 66.19484 49.66406 
1 1 1  -10    9   44 o  103.066   32.796   23.228   9.8549   53.540   17.183   8.3689   12.030  136.880   43.279   70.160   31.566 66.71967 53.56797 
1 1 1  -10   10    1 o  435.743   9.3654  246.202   10.571  289.800   24.652  236.380   11.701  471.742   20.174  426.892   10.582 44.84973 22.78086 
1 1 1  -10   10    2 o  678.172   20.954  599.200   36.810  599.200   36.810   0.0000   0.0000  678.172   20.954  ?   ?  0.000000 20.95432 
1 1 1  -10   10    3 o  706.430   11.874  647.583   21.727  632.700   38.672  654.448   26.264  696.753   21.427  709.859   14.284 -13.10577 25.75178 
1 1 1  -10   10    4 o  349.993   9.9969  158.870   9.0631  167.600   20.836  156.833   10.065  357.764   22.600  347.681   11.176 10.08289 25.21262 
1 1 1  -10   10    5 o  415.670   11.350  224.187   12.220  211.400   23.396  228.984   14.331  401.941   22.562  419.961   13.174 -18.02005 26.12661 
1 1 1  -10   10    6 o  310.828   10.496  125.331   8.4509  166.100   21.152  117.587   9.2187  356.012   23.061  301.007   11.823 55.00504 25.91514 
1 1 1  -10   10    7 o  155.122   16.006   31.614   6.3388   22.500   17.018   33.082   6.8303  132.117   43.193  158.597   16.886 -26.47908 46.37611 
1 1 1  -10   10    8 o  245.383   11.819   78.154   7.5121   56.740   18.858   82.193   8.1899  204.170   37.022  251.608   12.566 -47.43820 39.09627 
1 1 1  -10   10    9 o  265.033   12.733   91.214   8.7413   92.990   12.402   89.460   12.322  266.646   18.063  261.478   18.308 5.167877 25.71904 
1 1 1  -10   10   10 o  431.938   11.083  242.141   12.400  238.368   15.796  248.200   20.017  428.270   14.239  436.604   17.699 -8.334808 22.71582 
1 1 1  -10   10   11 o  465.135   9.9258  280.701   11.959  298.937   17.637  265.182   16.270  479.565   14.198  451.712   13.905 27.85242 19.87346 
1 1 1  -10   10   12 o  465.264   9.8552  280.878   11.877  274.264   17.092  287.054   16.517  459.280   14.367  469.966   13.568 -10.68594 19.76089 
1 1 1  -10   10   13 o  506.864   9.9484  333.405   13.062  324.988   18.626  341.548   18.321  499.881   14.385  512.544   13.800 -12.66330 19.93388 
1 1 1  -10   10   14 o  443.431   16.128  256.102   18.525  253.700   27.884  258.000   24.786  439.052   24.617  444.096   21.547 -5.043610 32.71497 
1 1 1  -10   10   15 o  438.951   10.145  250.148   11.535  244.031   16.827  255.569   15.843  432.935   15.005  443.231   13.799 -10.29578 20.38557 
1 1 1  -10   10   16 o  441.668   10.278  253.325   11.759  255.461   17.021  251.375   16.263  442.882   14.837  439.415   14.288 3.467499 20.59844 
1 1 1  -10   10   17 o  422.828   14.312  232.883   15.675   0.0000   0.0000  232.883   15.675  ?   ?   422.828   14.312 0.000000 14.31201 
1 1 1  -10   10   18 f  419.670   10.658  228.916   11.586  220.595   16.642  236.743   16.140  411.136   15.627  426.120   14.623 -14.98373 21.40112 
1 1 1  -10   10   19 o  269.971   17.235   95.759   11.990   0.0000   0.0000   95.759   11.990  ?   ?   269.971   17.235 0.000000 17.23483 
1 1 1  -10   10   20 o  328.704   11.291  140.653   9.6136  134.302   13.971  146.365   13.249  319.750   16.928  334.603   15.287 -14.85245 22.80894 
1 1 1  -10   10   21 o  237.517   13.325   73.894   8.1651   74.320   11.806   73.503   11.305  236.728   19.424  235.624   18.675 1.104111 26.94551 
1 1 1  -10   10   22 o  209.907   17.648   58.404   9.5065   67.830   13.403   48.860   13.486  224.479   23.393  188.330   28.539 36.14877 36.90170 
1 1 1  -10   10   23 o  448.260   10.736  262.080   12.466  262.201   18.025  261.970   17.260  446.635   15.580  446.711   14.916 -0.7620239E-01 21.56919 
1 1 1  -10   10   24 o  387.462   18.311  198.959   18.377  190.000   28.546  205.300   24.016  370.643   29.990  389.846   23.898 -19.20279 38.34720 
1 1 1  -10   10   25 o  209.525   14.792   58.091   7.9766   57.450   11.196   58.752   11.367  206.058   21.283  208.371   21.362 -2.312820 30.15450 
1 1 1  -10   10   26 o   63.364   25.459   2.9910   6.3880   0.6519   8.7802   5.6215   9.3112   66.548   28.515   78.284   30.972 -11.73615 42.09974 
1 1 1  -10   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   10   28 o  156.130   18.010   33.025   7.1502   29.551   9.8595   36.879   10.385  143.539   27.519  161.695   25.650 -18.15546 37.61956 
1 1 1  -10   10   29 o  171.208   16.769   39.551   7.3413   35.052   10.527   43.810   10.243  156.275   26.982  177.391   22.821 -21.11563 35.33834 
1 1 1  -10   10   30 o  150.408   18.973   31.108   7.2275   22.418   10.174   39.962   10.269  121.345   31.934  167.852   24.329 -46.50748 40.14543 
1 1 1  -10   10   31 o  167.459   17.492   38.339   7.4755   42.863   10.655   33.954   10.491  173.072   24.448  151.731   27.713 21.34113 36.95561 
1 1 1  -10   10   32 o  123.701   28.600   23.238   8.9808   18.640   11.970   29.160   13.585  107.729   36.257  132.220   37.779 -24.49085 52.36266 
1 1 1  -10   10   33 o  121.407   28.785   22.712   8.9148   23.888   10.699   20.040   16.125  121.645   33.080  109.069   41.403 12.57626 52.99528 
1 1 1  -10   10   34 o   66.484   27.680   3.5330   7.8938 -15.6900   15.379   10.409   9.1979   63.687   30.771   84.814   31.463 -21.12694 44.00873 
1 1 1  -10   10   35 o   52.766   23.980  -2.3092   7.1520  -5.3771   10.313   0.5336   9.9273   59.061   27.532   65.897   29.225 -6.835640 40.15104 
1 1 1  -10   10   36 o   62.480   26.423   2.7619   7.3690   2.3008   10.189   3.2675   10.670   68.614   30.048   71.181   30.970 -2.567459 43.15093 
1 1 1  -10   10   37 o  195.488   16.899   53.612   8.4729   67.737   12.110   40.069   11.858  214.240   22.142  156.292   30.386 57.94797 37.59739 
1 1 1  -10   10   38 o   77.417   27.886   9.4414   7.1443   9.6896   9.5612   9.1276   10.750   79.354   31.388   79.155   32.568 0.1993256 45.23197 
1 1 1  -10   10   39 o   98.815   30.232   17.334   8.4600   17.652   11.708   16.987   12.238   94.863   35.437   93.033   35.883 1.829529 50.43190 
1 1 1  -10   10   40 o   84.442   29.509   12.714   7.9487   13.152   12.048   12.377   10.577   83.863   34.488   82.443   32.886 1.420532 47.65456 
1 1 1  -10   10   41 o   55.974   26.648  -5.0304   10.619   1.2270   13.688 -14.4900   16.830   67.655   31.599   60.745   29.944 6.909496 43.53304 
1 1 1  -10   10   42 o   66.187   32.239  -5.3000   17.805   0.0000   0.0000  -5.3000   17.805  ?   ?    66.187   32.239 0.000000 32.23945 
1 1 1  -10   10   43 o  120.410   30.579   28.166   9.5554   24.714   13.960   31.210   13.107   95.728   37.908  111.799   37.939 -16.07138 53.63166 
1 1 1  -10   10   44 o   46.743   22.799  -8.1238   8.9883  -1.9252   12.805 -14.1434   12.619   59.210   28.474   50.472   25.066 8.738041 37.93535 
1 1 1  -10   11    1 o  631.044   11.527  516.759   18.841  569.400   35.808  496.605   22.157  660.927   20.916  618.350   13.833 42.57721 25.07653 
1 1 1  -10   11    2 o  282.261   10.604  103.358   7.7527  106.000   18.227  102.775   8.5662  283.690   25.062  281.409   11.752 2.280426 27.68002 
1 1 1  -10   11    3 f  255.564   10.948   84.742   7.2475  154.800   19.500   73.514   7.8067  343.783   22.013  237.618   12.730 106.1653 25.42886 
1 1 1  -10   11    4 o  267.771   10.912   93.033   7.5685  106.900   20.336   90.803   8.1543  284.279   27.979  264.497   11.902 19.78180 30.40480 
1 1 1  -10   11    5 o  263.534   11.444   90.132   7.8121   98.810   20.140   88.595   8.4757  272.967   28.925  261.224   12.526 11.74237 31.52033 
1 1 1  -10   11    6 o  318.134   10.764  131.324   8.8706  157.000   22.306  126.500   9.6680  345.550   25.091  312.169   11.956 33.38110 27.79446 
1 1 1  -10   11    7 o  538.682   13.454  376.947   18.773   0.0000   0.0000  376.947   18.773  ?   ?   538.682   13.454 0.000000 13.45370 
1 1 1  -10   11    8 o  581.324   13.694  439.084   20.620   0.0000   0.0000  439.084   20.620  ?   ?   581.324   13.694 0.000000 13.69353 
1 1 1  -10   11    9 o  276.125   11.990   99.002   8.5755  122.200   21.462   94.594   9.3547  303.919   27.562  269.823   13.384 34.09595 30.63970 
1 1 1  -10   11   10 f  100.444   25.262   13.734   6.5662   63.780   18.558   6.5727   7.0203  217.114   34.124   76.925   27.650 140.1883 43.92021 
1 1 1  -10   11   11 o  177.532   13.867   41.221   6.3265   50.086   9.1806   33.205   8.7303  195.156   18.377  157.906   21.937 37.24963 28.61738 
1 1 1  -10   11   12 o  295.351   10.992  113.265   8.4097  118.953   12.342  108.336   11.490  301.857   15.841  288.091   15.453 13.76648 22.12948 
1 1 1  -10   11   13 o  556.271   12.141  402.088   17.494  420.763   21.644  366.900   29.711  568.609   14.695  529.480   21.663 39.12866 26.17696 
1 1 1  -10   11   14 o  362.727   28.430  174.700   26.498  174.700   26.498   0.0000   0.0000  362.727   28.430  ?   ?  0.000000 28.42971 
1 1 1  -10   11   15 o  124.548   19.230   20.744   6.0041   24.668   9.0793   17.695   8.0042  134.447   27.008  113.556   27.503 20.89138 38.54713 
1 1 1  -10   11   16 o  247.955   12.171   79.963   7.8170   85.354   11.523   75.366   10.640  255.014   17.551  239.611   17.258 15.40263 24.61439 
1 1 1  -10   11   17 o  316.508   10.974  130.236   8.9967  133.418   13.074  127.374   12.399  319.707   15.787  312.452   15.320 7.254700 21.99863 
1 1 1  -10   11   18 o  486.591   10.430  307.827   13.146  292.904   18.803  322.097   18.386  473.605   15.327  496.914   14.284 -23.30878 20.95137 
1 1 1  -10   11   19 o  336.362   11.468  147.299   9.9918  157.474   14.524  138.158   13.767  346.896   16.164  324.467   16.434 22.42892 23.05095 
1 1 1  -10   11   20 o  182.405   15.569   43.875   7.2858   42.510   10.732   45.042   9.9229  177.380   23.972  183.448   21.277 -6.067749 32.05252 
1 1 1  -10   11   21 o  246.603   16.019   80.145   10.177   76.650   13.968   84.100   14.858  239.023   22.838  250.338   23.177 -11.31448 32.53830 
1 1 1  -10   11   22 o   56.633   23.989   0.5391   6.0894   6.3658   8.3309  -6.1455   8.9231   78.456   29.765   56.880   26.198 21.57651 39.65257 
1 1 1  -10   11   23 o  433.524   10.993  245.409   12.345  263.632   18.367  230.392   16.673  447.376   15.849  418.425   15.383 28.95062 22.08736 
1 1 1  -10   11   24 o  156.479   35.605   35.902   14.107   20.350   23.326   44.870   17.713  126.550   49.336  172.878   40.299 -46.32751 63.70258 
1 1 1  -10   11   25 o  263.648   13.065   91.309   8.9228   97.338   12.854   85.702   12.396  269.735   18.509  252.776   19.072 16.95920 26.57699 
1 1 1  -10   11   26 o  326.274   16.777  141.777   14.131   0.0000   0.0000  141.777   14.131  ?   ?   326.274   16.777 0.000000 16.77716 
1 1 1  -10   11   27 o  135.765   20.946   25.431   7.1291   24.297   10.209   26.510   9.9596  128.510   31.022  135.105   29.303 -6.594101 42.67347 
1 1 1  -10   11   28 o   66.943   25.154   4.9909   5.9163   7.0804   7.5282   1.6158   9.5678   76.785   28.468   69.963   29.867 6.821274 41.26101 
1 1 1  -10   11   29 o  326.209   11.679  140.221   9.8687  128.987   13.782  152.045   14.138  309.317   17.270  337.030   16.195 -27.71365 23.67513 
1 1 1  -10   11   30 f  132.201   21.955   24.712   7.2544   22.506   10.149   27.017   10.374  120.963   31.924  133.500   30.646 -12.53698 44.25303 
1 1 1  -10   11   31 o  187.900   16.856   48.162   8.1167   62.720   12.298   36.926   10.804  210.328   22.945  157.994   27.392 52.33336 35.73269 
1 1 1  -10   11   32 o  187.766   18.937   48.999   9.0845   48.866   11.703   49.200   14.411  182.775   25.405  177.225   32.593 5.550430 41.32452 
1 1 1  -10   11   33 o   91.138   34.803   12.256   11.436   30.720   15.848  -7.8020   16.518  129.614   41.627   72.649   34.180 56.96521 53.86158 
1 1 1  -10   11   34 f   63.044   26.247   3.0750   7.0971  -2.9429   10.053   9.0554   10.021   61.458   28.122   82.033   32.234 -20.57487 42.77687 
1 1 1  -10   11   35 o   87.273   27.767   11.907   7.0645   19.946   9.4746   1.8411   10.602  109.621   31.620   69.093   30.443 40.52814 43.89304 
1 1 1  -10   11   36 o   54.723   24.224  -0.0760   6.7895  -2.5907   9.6353   2.4041   9.5687   59.633   27.376   66.877   29.207 -7.244728 40.03163 
1 1 1  -10   11   37 o  173.141   19.537   43.463   8.6088   53.505   12.508   34.425   11.867  183.939   27.061  140.378   33.162 43.56125 42.80219 
1 1 1  -10   11   38 o   38.766   19.324 -16.6505   7.7907 -27.2294   10.767  -5.0254   11.287   42.257   21.293   59.464   28.061 -17.20676 35.22483 
1 1 1  -10   11   39 o  108.529   31.380   21.607   9.3211   46.980   15.898   8.3152   11.506  148.271   40.326   76.026   32.612 72.24512 51.86252 
1 1 1  -10   11   40 o  119.800   31.660   26.845   9.9729   23.500   15.564   29.175   12.990   97.833   39.586  114.859   37.746 -17.02578 54.69749 
1 1 1  -10   11   41 o   69.644   30.532   6.4674   10.545  -1.3830   14.691   14.810   15.145   65.804   31.333   83.127   36.513 -17.32349 48.11357 
1 1 1  -10   11   42 o   93.782   34.181   19.710   10.779   17.470   21.910   20.426   12.381   82.253   38.901   92.101   35.933 -9.848106 52.95701 
1 1 1  -10   11   43 o  113.410   29.298   24.853   8.6678   14.129   12.293   35.459   12.224   78.368   33.664  124.284   35.935 -45.91580 49.24065 
1 1 1  -10   11   44 o   41.707   20.716 -12.8717   8.6335 -24.9290   12.196  -0.7594   12.223   43.773   22.130   58.518   28.057 -14.74508 35.73377 
1 1 1  -10   12    1 o  492.720   10.185  314.960   13.000  311.629   18.719  318.064   18.067  489.653   14.758  494.759   14.098 -5.106049 20.40958 
1 1 1  -10   12    2 o  320.813   10.424  133.536   8.6624  136.000   20.472  132.999   9.5604  321.505   24.773  320.103   11.530 1.402008 27.32527 
1 1 1  -10   12    3 o  338.003   11.488  148.290   10.058  193.300   22.360  136.873   11.261  384.056   22.575  324.603   13.393 59.45297 26.24938 
1 1 1  -10   12    4 o  304.648   10.848  120.443   8.5604  141.700   21.499  116.437   9.3321  328.013   25.504  299.472   12.030 28.54190 28.19855 
1 1 1  -10   12    5 o  439.305   13.086  250.689   14.891   0.0000   0.0000  250.689   14.891  ?   ?   439.305   13.086 0.000000 13.08590 
1 1 1  -10   12    6 o  392.573   13.804  200.276   14.037   0.0000   0.0000  200.276   14.037  ?   ?   392.573   13.804 0.000000 13.80423 
1 1 1  -10   12    7 o  378.978   10.470  186.388   10.278  197.600   23.982  183.865   11.376  387.843   23.989  376.313   11.670 11.53030 26.67727 
1 1 1  -10   12    8 o  622.559   10.356  502.997   16.700  469.400   35.041  512.871   18.997  599.124   22.579  628.467   11.669 -29.34320 25.41647 
1 1 1  -10   12    9 o  158.086   16.766   32.907   6.7606   36.510   19.297   32.403   7.2181  162.117   44.570  156.639   18.125 5.477737 48.11396 
1 1 1  -10   12   10 o  383.668   10.774  191.109   10.708  207.200   25.515  187.669   11.797  396.657   24.961  380.091   11.982 16.56503 27.68771 
1 1 1  -10   12   11 o  655.008   12.230  557.494   20.751  537.200   38.179  566.002   24.721  640.313   23.019  659.555   14.470 -19.24292 27.18884 
1 1 1  -10   12   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   12   13 o  404.300   17.220  213.269   18.034  237.600   28.233  196.500   23.439  424.055   25.826  386.164   23.545 37.89169 34.94814 
1 1 1  -10   12   14 o  450.782   10.242  263.923   11.959  261.498   17.467  266.063   16.408  447.976   15.052  452.051   14.013 -4.075653 20.56532 
1 1 1  -10   12   15 o  435.581   14.307  247.201   16.143   0.0000   0.0000  247.201   16.143  ?   ?   435.581   14.307 0.000000 14.30719 
1 1 1  -10   12   16 o  223.203   13.197   65.109   7.5960   72.089   11.198   59.158   10.339  233.903   18.636  211.659   19.061 22.24373 26.65807 
1 1 1  -10   12   17 o  189.041   14.099   46.866   6.8542   44.218   9.8293   49.372   9.5627  182.140   21.232  193.023   19.388 -10.88278 28.75242 
1 1 1  -10   12   18 o  110.422   22.659   16.679   6.2638   11.461   8.8599   21.894   8.8568   94.105   31.185  125.731   27.922 -31.62640 41.85796 
1 1 1  -10   12   19 o  383.007   11.034  191.051   10.947  195.798   15.992  186.866   15.016  386.563   15.971  377.812   15.344 8.751221 22.14783 
1 1 1  -10   12   20 o  232.542   15.901   71.280   9.5207   63.790   13.106   79.650   13.854  217.607   23.631  243.945   22.167 -26.33771 32.40018 
1 1 1  -10   12   21 o  245.182   13.523   78.935   8.5549   96.506   12.565   63.752   11.680  269.787   18.085  218.116   20.931 51.67155 27.66146 
1 1 1  -10   12   22 o  327.206   11.852  139.974   10.045  134.088   14.435  145.501   13.987  318.011   17.592  332.235   16.253 -14.22363 23.95096 
1 1 1  -10   12   23 o  145.979   37.508   31.604   14.259   20.540   22.820   38.690   18.263  126.438   48.935  159.083   43.203 -32.64454 65.27734 
1 1 1  -10   12   24 o  258.411   18.106   89.233   12.043   0.0000   0.0000   89.233   12.043  ?   ?   258.411   18.106 0.000000 18.10562 
1 1 1  -10   12   25 o  184.371   16.343   45.418   7.7241   45.866   11.323   45.028   10.563  181.852   24.676  180.900   23.067 0.9524231 33.77884 
1 1 1  -10   12   26 o  240.962   13.401   76.774   8.3312   73.053   12.025   80.209   11.553  232.032   20.209  244.132   18.405 -12.09938 27.33404 
1 1 1  -10   12   27 o  143.201   17.675   27.847   6.4170   29.908   9.6434   26.208   8.5966  144.503   26.749  135.681   25.393 8.822021 36.88231 
1 1 1  -10   12   28 o  180.086   15.419   43.530   7.1233   39.644   9.6112   48.267   10.610  168.486   22.591  186.215   22.450 -17.72943 31.84901 
1 1 1  -10   12   29 o  137.182   20.645   26.288   7.1088   26.928   10.040   25.646   10.067  134.059   29.695  130.364   30.374 3.694290 42.47824 
1 1 1  -10   12   30 o  126.229   22.017   22.707   6.9370   18.955   9.7388   26.571   9.8835  110.368   32.123  132.362   29.572 -21.99352 43.66205 
1 1 1  -10   12   31 o  137.223   25.766   27.833   8.8222   30.360   11.683   24.480   13.458  138.169   33.081  120.329   38.329 17.84049 50.63056 
1 1 1  -10   12   32 o  235.183   13.932   74.557   8.4493   75.574   11.920   73.530   11.978  232.053   20.028  228.502   20.453 3.551300 28.62587 
1 1 1  -10   12   33 o   62.442   27.863  -0.5195   9.1658   3.2020   19.669  -1.5518   10.359   87.329   39.718   64.299   29.077 23.02972 49.22402 
1 1 1  -10   12   34 o  151.376   18.188   32.263   6.9889   32.717   9.6938   31.772   10.086  146.252   26.567  142.630   28.297 3.621536 38.81415 
1 1 1  -10   12   35 o   65.163   26.831   4.1446   7.3030  -9.2923   9.9871   19.586   10.706   53.241   25.483  105.857   34.237 -52.61553 42.67929 
1 1 1  -10   12   36 f  136.062   24.586   28.465   8.3461   18.564   12.057   37.574   11.565  100.280   36.211  150.426   30.719 -50.14570 47.48590 
1 1 1  -10   12   37 f   47.107   22.349  -5.9025   7.3425  -0.8841   10.383 -10.9229   10.385   62.429   28.571   51.818   25.096 10.61061 38.02781 
1 1 1  -10   12   38 o  101.309   31.448   18.784   9.1164   28.860   14.716   12.509   11.613  113.232   40.103   83.941   34.113 29.29107 52.64930 
1 1 1  -10   12   39 o   55.823   25.750  -1.4649   8.6668   14.180   12.849 -14.5251   11.740   85.056   35.356   51.346   25.252 33.70996 43.44725 
1 1 1  -10   12   40 o   71.576   29.687   8.0913   9.0311  -1.8950   12.344   19.595   13.248   62.192   29.347   92.292   36.808 -30.09959 47.07532 
1 1 1  -10   12   41 o   81.858   31.589   13.443   9.4878   19.088   12.096   4.4190   15.295   90.765   35.488   70.577   33.105 20.18767 48.53146 
1 1 1  -10   12   42 o   75.028   32.312   11.265   11.379  -0.3949   22.311   15.364   13.230   70.085   34.534   80.757   34.809 -10.67194 49.03326 
1 1 1  -10   12   43 o   85.591   31.544   16.557   9.2163   18.158   12.990   14.935   13.078   82.291   34.957   77.437   33.973 4.853561 48.74626 
1 1 1  -10   13    1 o  276.382   13.958   99.536   9.9607  125.100   17.420   87.117   12.141  308.679   21.929  257.929   18.291 50.75006 28.55635 
1 1 1  -10   13    2 o  256.113   24.142   86.600   15.827   0.0000   0.0000   86.600   15.827  ?   ?   256.113   24.142 0.000000 24.14200 
1 1 1  -10   13    3 o  722.866   14.326  679.351   26.825   0.0000   0.0000  679.351   26.825  ?   ?   722.866   14.326 0.000000 14.32616 
1 1 1  -10   13    4 o  575.123   11.551  429.476   17.209  426.800   33.103  430.466   20.144  571.350   22.368  575.518   13.513 -4.168457 26.13244 
1 1 1  -10   13    5 o  462.145   10.240  277.178   12.258  271.100   27.836  278.640   13.654  454.442   23.729  463.252   11.378 -8.810181 26.31626 
1 1 1  -10   13    6 o  385.086   10.659  192.494   10.633  216.400   25.064  187.248   11.742  405.766   23.952  379.693   11.938 26.07236 26.76254 
1 1 1  -10   13    7 o  414.944   10.498  223.503   11.284  178.300   25.122  234.926   12.629  367.459   26.573  425.323   11.463 -57.86401 28.93991 
1 1 1  -10   13    8 o  184.590   15.142   44.640   7.1763   51.930   20.161   43.582   7.6792  193.279   41.508  182.184   16.450 11.09488 44.64885 
1 1 1  -10   13    9 o  442.761   12.012  254.716   13.776  279.300   29.018  247.562   15.653  460.709   24.403  436.268   13.851 24.44058 28.05972 
1 1 1  -10   13   10 o  398.711   10.800  206.454   11.154  219.900   26.610  203.589   12.285  408.253   25.288  395.810   11.982 12.44302 27.98290 
1 1 1  -10   13   11 o  249.247   13.133   81.025   8.4491  105.400   20.794   76.205   9.2467  280.968   28.988  241.459   14.856 39.50914 32.57341 
1 1 1  -10   13   12 o  167.914   30.486   38.487   12.771   37.780   20.308   38.950   16.427  163.789   45.982  166.994   38.727 -3.204849 60.11719 
1 1 1  -10   13   13 o  419.570   12.483  229.003   13.566  244.000   28.328  224.541   15.454  429.362   25.587  415.165   14.370 14.19635 29.34639 
1 1 1  -10   13   14 o  412.844   10.517  221.495   11.247  229.946   16.527  214.205   15.349  419.874   15.195  405.354   14.619 14.51999 21.08571 
1 1 1  -10   13   15 o  283.206   11.178  104.314   8.2000   99.778   12.190  108.062   11.082  275.685   17.156  287.399   14.937 -11.71341 22.74764 
1 1 1  -10   13   16 o  185.126   14.518   45.001   6.9060   45.840   10.051   44.251   9.5049  185.423   21.314  182.342   20.478 3.081299 29.55728 
1 1 1  -10   13   17 o  222.653   13.047   64.875   7.4921   60.649   10.870   68.699   10.341  213.788   19.856  228.195   17.631 -14.40643 26.55368 
1 1 1  -10   13   18 o  183.400   15.693   44.376   7.3835   58.435   11.173   33.476   9.8377  209.310   20.886  156.699   25.083 52.61086 32.64038 
1 1 1  -10   13   19 o  216.251   16.768   61.822   9.3191   67.030   13.369   56.900   12.997  223.132   23.483  204.865   25.012 18.26665 34.30805 
1 1 1  -10   13   20 f  374.577   12.704  183.481   12.326  191.795   16.339  172.500   18.778  381.703   16.525  360.031   20.217 21.67181 26.11157 
1 1 1  -10   13   21 o  130.949   21.426   23.434   7.0164   18.312   10.268   27.920   9.6101  113.323   32.984  141.223   27.258 -27.90041 42.78947 
1 1 1  -10   13   22 o   71.756   26.038   6.0029   6.2452   14.194   9.0393  -1.4773   8.6383  100.635   31.327   62.496   27.510 38.13934 41.69178 
1 1 1  -10   13   23 o  111.427   36.347   17.773   12.054   8.4970   21.047   22.300   14.704  106.547   44.836  123.053   40.144 -16.50618 60.18169 
1 1 1  -10   13   24 o  227.971   19.247   70.014   11.259   0.0000   0.0000   70.014   11.259  ?   ?   227.971   19.247 0.000000 19.24667 
1 1 1  -10   13   25 o  125.663   23.137   22.116   7.2536   19.368   10.400   24.718   10.122  114.430   33.163  129.925   30.584 -15.49489 45.11311 
1 1 1  -10   13   26 o  129.497   21.758   23.369   7.0397   26.151   9.8458   20.459   10.069  133.781   29.229  117.094   32.196 16.68674 43.48506 
1 1 1  -10   13   27 o  193.798   15.678   50.402   7.8030   52.061   11.305   48.893   10.784  193.213   23.042  187.382   22.680 5.831329 32.33125 
1 1 1  -10   13   28 o   52.019   22.860  -0.7405   5.9425   7.4894   8.1823  -9.9267   8.6447   78.391   29.557   49.871   23.825 28.52023 37.96371 
1 1 1  -10   13   29 o  113.875   25.021   18.997   7.1788   20.677   10.283   17.399   10.026  114.983   32.875  105.916   32.997 9.067482 46.57898 
1 1 1  -10   13   30 o  169.103   21.430   40.440   9.1764   27.570   12.158   57.480   13.989  130.081   35.217  196.315   28.330 -66.23320 45.19783 
1 1 1  -10   13   31 o  193.533   24.149   54.435   11.843   54.435   11.843   0.0000   0.0000  193.533   24.149  ?   ?  0.000000 24.14889 
1 1 1  -10   13   32 o   86.739   30.219   11.436   8.3327   5.7299   10.617   20.590   13.447   76.572   32.009  108.784   38.356 -32.21157 49.95752 
1 1 1  -10   13   33 o   60.557   25.258   2.7305   6.5892  -0.6347   9.2679   6.1703   9.3700   62.180   27.862   74.525   30.504 -12.34438 41.31355 
1 1 1  -10   13   34 o   95.255   28.895   14.648   7.7511   11.229   10.668   18.470   11.281   85.933   33.402  102.698   35.195 -16.76524 48.52203 
1 1 1  -10   13   35 f  195.973   26.159   59.399   12.948   0.0000   0.0000   59.399   12.948  ?   ?   195.973   26.159 0.000000 26.15931 
1 1 1  -10   13   36 o  104.346   34.601   20.267   10.907   0.0000   0.0000   20.267   10.907  ?   ?   104.346   34.601 0.000000 34.60065 
1 1 1  -10   13   37 o   59.793   25.874   2.4430   7.3669  -0.0901   10.538   4.8646   10.303   63.090   28.840   69.839   30.409 -6.749138 41.91013 
1 1 1  -10   13   38 o  149.048   39.604   47.280   15.551   47.280   15.551   0.0000   0.0000  149.048   39.604  ?   ?  0.000000 39.60447 
1 1 1  -10   13   39 o   50.301   24.220  -7.4846   9.3337   4.7590   14.596 -15.9546   12.140   72.147   33.328   50.886   25.149 21.26078 41.75209 
1 1 1  -10   13   40 o   61.800   27.830   2.6441   9.3752   5.4106   13.190  -0.1806   13.328   70.157   32.143   64.524   30.462 5.632912 44.28434 
1 1 1  -10   13   41 o   55.806   27.394 -10.5180   13.610 -18.4100   20.437  -4.2280   18.245   61.177   30.618   65.722   32.147 -4.544319 44.39464 
1 1 1  -10   13   42 o   61.103   26.830   4.6713   8.1711   0.9904   11.718   8.1550   11.400   60.861   28.681   69.055   30.925 -8.193367 42.17741 
1 1 1  -10   13   43 o   85.412   30.960   16.774   8.8258   19.771   12.232   13.520   12.747   83.922   34.658   73.774   32.893 10.14876 47.78231 
1 1 1  -10   14    1 o  283.004   12.686  104.076   9.2996  101.123   13.666  106.623   12.691  277.732   19.113  285.534   17.240 -7.801788 25.73936 
1 1 1  -10   14    2 o  341.806   11.572  151.737   10.246  126.689   14.589  176.112   14.392  311.165   18.180  367.877   15.103 -56.71185 23.63479 
1 1 1  -10   14    3 o  326.532   13.760  138.646   11.639  147.900   22.263  135.165   13.653  334.608   25.887  321.721   16.438 12.88647 30.66508 
1 1 1  -10   14    4 o  512.874   10.173  341.434   13.515  347.900   30.196  339.815   15.113  515.458   22.616  511.510   11.407 3.947601 25.32940 
1 1 1  -10   14    5 o  361.374   10.688  169.560   10.005  234.500   25.887  158.156   10.848  422.249   23.765  348.896   12.003 73.35361 26.62403 
1 1 1  -10   14    6 o  903.735   11.697  1061.07   27.381  997.600   54.691  1082.30   31.631  871.880   24.217  912.296   13.385 -40.41669 27.66950 
1 1 1  -10   14    7 o  247.390   16.094   80.076   10.257   0.0000   0.0000   80.076   10.257  ?   ?   247.390   16.094 0.000000 16.09352 
1 1 1  -10   14    8 o  155.452   17.455   31.917   6.9072   92.230   20.343   24.057   7.3434  262.259   30.516  133.824   21.945 128.4360 37.58734 
1 1 1  -10   14    9 o  217.122   14.485   61.650   8.1000   34.540   20.407   66.719   8.8250  157.439   46.690  225.809   15.176 -68.37013 49.09418 
1 1 1  -10   14   10 o  262.605   12.908   89.713   8.7807  116.500   22.930   85.110   9.5052  294.831   30.464  255.237   14.436 39.59341 33.71140 
1 1 1  -10   14   11 o  231.433   23.683   71.169   13.997   82.350   22.375   63.980   17.942  245.271   36.315  216.706   33.005 28.56572 49.07280 
1 1 1  -10   14   12 o  213.436   15.905   59.774   8.7303   46.850   21.168   62.422   9.5833  181.257   45.231  217.920   17.115 -36.66237 48.36048 
1 1 1  -10   14   13 o  245.081   13.699   78.509   8.6618   96.720   23.089   75.526   9.3443  266.287   34.269  240.128   15.100 26.15929 37.44786 
1 1 1  -10   14   14 o  368.634   13.167  177.085   12.573  178.400   27.557  176.739   14.130  364.485   29.439  367.973   14.824 -3.487244 32.96064 
1 1 1  -10   14   15 o  292.312   11.486  111.237   8.6973  120.205   12.642  103.178   11.984  302.684   16.182  280.271   16.582 22.41293 23.16922 
1 1 1  -10   14   16 o  212.156   13.490   58.986   7.3751   56.493   10.797   61.167   10.098  206.023   20.504  215.020   18.305 -8.997818 27.48596 
1 1 1  -10   14   17 f  139.803   17.925   26.108   6.3419   23.006   9.4318   28.668   8.5678  128.287   29.057  145.108   23.606 -16.82138 37.43753 
1 1 1  -10   14   18 o  214.828   15.649   60.883   8.6482   73.790   12.314   48.320   12.149  235.193   20.415  188.275   25.572 46.91768 32.72163 
1 1 1  -10   14   19 o  375.549   12.524  184.431   12.183  176.557   15.850  195.800   19.045  366.077   16.715  384.507   19.122 -18.42957 25.39774 
1 1 1  -10   14   20 o  293.220   16.844  113.889   12.740   0.0000   0.0000  113.889   12.740  ?   ?   293.220   16.844 0.000000 16.84415 
1 1 1  -10   14   21 o  220.823   13.983   64.348   7.9570   66.122   11.768   62.855   10.800  221.438   20.758  216.366   19.479 5.072617 28.46643 
1 1 1  -10   14   22 o  268.450   23.869   98.476   16.424   92.670   26.063  102.300   21.153  247.537   42.159  269.063   30.912 -21.52631 52.27739 
1 1 1  -10   14   23 o   54.131   23.496  -0.4042   6.1129   2.1275   8.9870  -2.5842   8.3393   69.829   29.337   59.173   26.478 10.65598 39.51856 
1 1 1  -10   14   24 o   87.978   25.806   10.944   6.2636   9.7667   9.0573   12.024   8.6715   87.182   31.399   92.942   30.854 -5.759995 44.02100 
1 1 1  -10   14   25 o   51.296   22.732  -1.4017   5.9958 -12.3514   8.6074   8.9196   8.3567   47.662   23.026   83.437   30.144 -35.77579 37.93280 
1 1 1  -10   14   26 o  187.355   15.938   47.178   7.6613   54.063   10.710   39.962   10.964  197.993   21.213  167.301   26.156 30.69218 33.67699 
1 1 1  -10   14   27 o   92.620   26.962   12.551   6.8606   7.6310   9.6357   17.610   9.7704   81.500   31.727  107.604   32.396 -26.10387 45.34429 
1 1 1  -10   14   28 o  146.447   18.132   29.543   6.7313   35.205   9.0184   22.422   10.115  157.505   22.765  120.267   31.933 37.23824 39.21700 
1 1 1  -10   14   29 o  100.458   27.633   15.289   7.4156   17.920   12.161   13.732   9.3563  105.765   36.526   94.984   32.055 10.78069 48.59708 
1 1 1  -10   14   30 o   89.589   27.761   12.177   7.1076   19.695   8.6407  -3.5530   12.499  112.393   29.358   68.049   31.218 44.34402 42.85403 
1 1 1  -10   14   31 o  166.717   19.450   39.209   8.2416   51.898   12.003   27.890   11.336  187.002   25.440  130.070   33.457 56.93211 42.03006 
1 1 1  -10   14   32 o   70.492   32.054  -1.0150   12.802   7.4220   19.748  -7.1310   16.814   90.603   40.629   72.583   34.251 18.02059 53.14009 
1 1 1  -10   14   33 o  173.983   18.998   43.007   8.4227   41.773   11.783   44.296   12.045  162.515   29.056  167.743   28.755 -5.228088 40.87937 
1 1 1  -10   14   34 o  117.013   26.832   21.710   7.9594   30.409   11.509   13.735   11.020  132.404   33.524   90.505   34.258 41.89941 47.93153 
1 1 1  -10   14   35 o   97.693   27.893   15.776   7.4078   5.2175   11.262   23.829   9.8351   73.403   31.876  117.011   31.674 -43.60793 44.93724 
1 1 1  -10   14   36 o  148.797   24.912   34.920   9.2623   65.610   14.948   15.794   11.801  196.889   30.280   91.369   35.238 105.5198 46.46067 
1 1 1  -10   14   37 o   46.274   22.276  -7.7127   7.8842  -5.1590   13.429  -9.0557   9.7393   62.643   29.863   50.684   24.488 11.95935 38.61973 
1 1 1  -10   14   38 o  105.352   32.850   21.937   9.9350   26.420   15.718   18.954   12.821  101.803   40.252   92.515   36.426 9.288429 54.28696 
1 1 1  -10   14   39 o   79.391   30.874   12.021   9.1177   20.840   14.916   6.7599   11.520   91.153   38.009   70.593   31.386 20.56087 49.29276 
1 1 1  -10   14   40 o   56.599   25.314   1.8865   7.6123   1.8943   9.7754   1.8745   12.134   60.636   27.740   64.033   29.855 -3.397041 40.75337 
1 1 1  -10   14   41 o   80.447   33.196   14.913   11.209   14.120   22.646   15.170   12.900   76.752   37.145   79.584   34.338 -2.831932 50.58533 
1 1 1  -10   14   42 o   73.322   30.067   11.514   9.1239   10.614   13.086   12.364   12.728   70.932   32.313   73.146   32.722 -2.214516 45.98774 
1 1 1  -10   15    1 o  197.476   16.142   51.152   8.1850   49.072   12.220   52.845   11.023  191.634   25.230  199.754   21.651 -8.120544 33.24648 
1 1 1  -10   15    2 o  384.157   11.546  191.744   11.489  186.997   16.762  195.951   15.779  378.656   17.089  387.825   15.707 -9.168701 23.21102 
1 1 1  -10   15    3 o  267.096   13.921   93.079   9.5977   85.855   14.027   99.438   13.161  255.183   21.419  275.330   18.562 -20.14722 28.34289 
1 1 1  -10   15    4 o  475.087   12.722  293.492   15.656  293.000   29.682  293.682   18.428  471.586   24.382  474.875   14.982 -3.289520 28.61667 
1 1 1  -10   15    5 o  552.657   10.410  396.659   14.903  433.600   34.029  387.892   16.577  574.832   22.854  546.317   11.714 28.51483 25.68117 
1 1 1  -10   15    6 o  344.981   11.550  154.671   10.321  171.100   25.146  151.343   11.319  359.055   27.239  341.113   12.810 17.94217 30.10135 
1 1 1  -10   15    7 o  154.273   18.478   31.539   7.2370   27.110   20.175   32.193   7.7530  142.555   47.049  155.657   19.668 -13.10243 50.99439 
1 1 1  -10   15    8 o  235.465   13.696   72.425   8.3173   54.740   21.752   75.454   9.0013  196.860   43.789  240.227   14.534 -43.36620 46.13793 
1 1 1  -10   15    9 o  293.336   16.566  112.689   12.536  100.400   23.412  117.628   14.843  271.969   33.973  299.144   19.258 -27.17502 39.05180 
1 1 1  -10   15   10 o  162.141   33.552   36.429   13.627   88.200   22.040   4.3880   17.339  254.321   34.334   98.780   41.066 155.5412 53.52832 
1 1 1  -10   15   11 o  307.342   12.594  122.979   10.026  126.600   25.002  122.286   10.945  306.021   32.015  306.315   13.794 -0.2939148 34.86024 
1 1 1  -10   15   12 o  179.315   17.110   42.447   7.8509   42.780   22.707   42.402   8.3669  171.950   48.745  178.977   18.305 -7.027527 52.06896 
1 1 1  -10   15   13 o  178.495   17.393   42.124   7.9395   30.050   22.341   43.869   8.4940  147.618   49.534  182.005   18.263 -34.38704 52.79328 
1 1 1  -10   15   14 o  423.260   11.348  233.279   12.441  189.700   27.766  244.227   13.916  375.258   28.784  432.850   12.412 -57.59201 31.34603 
1 1 1  -10   15   15 o  190.208   17.088   47.858   8.3295   62.640   25.109   46.030   8.8295  205.663   48.007  186.162   18.558 19.50128 51.46867 
1 1 1  -10   15   16 o  137.379   25.355   25.978   8.6902 -46.0100   24.095   36.742   9.3173   73.093   35.991  164.923   22.389 -91.83046 42.38645 
1 1 1  -10   15   17 f  174.831   17.455   40.661   7.7991   42.670   11.411   38.900   10.684  176.545   25.708  168.584   25.243 7.961060 36.02920 
1 1 1  -10   15   18 o  194.850   14.948   50.159   7.4872   53.809   11.093   47.104   10.147  199.725   21.795  186.883   21.345 12.84175 30.50637 
1 1 1  -10   15   19 o  291.835   12.085  111.459   9.1358  121.724   13.405  102.557   12.484  302.937   17.154  277.879   17.432 25.05780 24.45663 
1 1 1  -10   15   20 f   85.863   26.035   10.191   6.2939   7.7332   9.2304   12.327   8.6044   83.224   31.389   94.653   30.701 -11.42879 43.90699 
1 1 1  -10   15   21 o  207.086   19.201   57.756   10.183   67.856   11.817   28.620   20.070  223.967   20.599  136.551   46.937 87.41628 51.25803 
1 1 1  -10   15   22 o   83.548   30.311   8.6703   8.4620   19.340   25.017   7.2919   8.9920  123.941   50.176   81.075   30.884 42.86535 58.91899 
1 1 1  -10   15   23 o  126.960   21.872   22.422   6.9333   25.016   10.237   20.224   9.4238  130.492   30.783  117.288   30.671 13.20409 43.45484 
1 1 1  -10   15   24 f   85.979   26.191   10.466   6.3585   16.487   9.8306   6.1361   8.3373  105.680   32.632   76.167   29.550 29.51281 44.02382 
1 1 1  -10   15   25 o  163.778   17.161   36.348   7.1722   34.112   10.464   38.329   9.8497  153.662   27.289  165.071   23.717 -11.40900 36.15517 
1 1 1  -10   15   26 o  135.941   18.390   25.426   6.3093   23.673   9.0008   27.119   8.8465  126.436   28.200  136.806   25.913 -10.37025 38.29787 
1 1 1  -10   15   27 o  123.611   22.595   21.852   6.9681   12.948   9.6209   31.676   10.106   93.803   32.483  146.321   27.677 -52.51856 42.67479 
1 1 1  -10   15   28 o  159.677   28.456   38.273   11.338   0.0000   0.0000   38.273   11.338  ?   ?   159.677   28.456 0.000000 28.45643 
1 1 1  -10   15   29 o  147.854   25.274   32.302   9.3317   26.410   12.919   38.730   13.494  124.575   37.195  154.290   34.616 -29.71431 50.81075 
1 1 1  -10   15   30 o   66.673   25.814   5.2176   6.3521  -7.0980   8.7931   18.660   9.1864   52.411   24.743  107.551   31.168 -55.13979 39.79579 
1 1 1  -10   15   31 o  144.283   27.091   31.988   9.7533   27.893   11.764   40.990   17.443  127.867   34.654  145.491   43.170 -17.62422 55.35774 
1 1 1  -10   15   32 o  148.642   25.654   33.695   9.5206   38.800   19.997   32.198   10.826  133.040   46.787  140.837   30.555 -7.796738 55.88092 
1 1 1  -10   15   33 o  174.269   25.487   46.550   11.165   0.0000   0.0000   46.550   11.165  ?   ?   174.269   25.487 0.000000 25.48697 
1 1 1  -10   15   34 o   53.993   24.326  -0.9022   7.1726   7.0244   10.590  -7.6195   9.7490   75.604   31.809   53.425   25.462 22.17961 40.74453 
1 1 1  -10   15   35 o   92.748   30.305   15.073   8.3779   15.980   12.576   14.350   11.233   91.758   36.093   88.848   34.348 2.909866 49.82451 
1 1 1  -10   15   36 o   74.491   29.119   8.8367   8.1428  -7.0100   14.182   16.631   9.9457   62.645   30.085   93.244   32.974 -30.59835 44.63626 
1 1 1  -10   15   37 o   61.976   27.679   2.3681   9.0660  -4.4730   13.908   7.4223   11.955   63.060   30.153   73.449   32.346 -10.38911 44.22100 
1 1 1  -10   15   38 o   81.697   29.009   12.410   7.7050   20.261   10.236   2.1455   11.704   98.220   33.526   64.983   29.957 33.23724 44.96059 
1 1 1  -10   15   39 o   56.673   26.434  -0.9417   9.5285   6.5912   12.353 -12.0100   14.973   69.848   31.654   57.450   28.304 12.39864 42.46288 
1 1 1  -10   15   40 o   64.049   29.279   4.1420   10.863   14.340   12.958 -19.9600   19.922   78.723   34.190   59.134   29.685 19.58887 45.27887 
1 1 1  -10   15   41 o   62.653   28.876   4.2180   10.863   0.0000   0.0000   4.2180   10.863  ?   ?    62.653   28.876 0.000000 28.87574 
1 1 1  -10   15   42 o   66.701   28.287   8.8785   8.4828   20.997   12.894  -0.3686   11.264   83.117   35.041   56.589   27.079 26.52792 44.28502 
1 1 1  -10   16    1 o  285.873   12.851  106.327   9.5165  111.678   14.115  101.867   12.886  291.641   18.784  278.651   17.948 12.98938 25.98011 
1 1 1  -10   16    2 o  210.021   16.476   57.905   8.8916   48.991   12.890   65.996   12.281  190.841   26.816  223.313   21.497 -32.47200 34.36830 
1 1 1  -10   16    3 o  414.568   11.482  223.420   12.330  216.824   17.984  229.271   16.937  407.497   17.037  419.307   15.594 -11.80978 23.09629 
1 1 1  -10   16    4 o  179.657   18.663   42.661   8.5586   37.343   12.573   47.253   11.683  165.179   30.509  187.872   24.599 -22.69324 39.19073 
1 1 1  -10   16    5 o  546.594   12.649  388.767   17.909  411.100   33.474  379.811   21.198  559.020   23.117  539.709   15.163 19.31042 27.64625 
1 1 1  -10   16    6 o  636.279   10.671  526.153   17.587  529.100   37.575  525.326   19.901  634.148   22.875  635.469   12.090 -1.321045 25.87369 
1 1 1  -10   16    7 o  401.567   11.057  209.654   11.502  219.400   26.881  207.470   12.725  406.641   25.652  399.288   12.304 7.352875 28.44967 
1 1 1  -10   16    8 o  194.491   21.890   50.359   10.836   55.480   21.078   48.519   12.633  197.856   42.403  189.690   26.429 8.165161 49.96510 
1 1 1  -10   16    9 o  161.617   20.712   34.865   8.4713   3.0790   21.780   40.531   9.1954  106.511   45.255  174.432   20.759 -67.92005 49.78935 
1 1 1  -10   16   10 o  223.819   15.161   65.720   8.7381   88.580   23.262   61.965   9.4286  253.184   36.526  216.958   16.911 36.22594 40.25075 
1 1 1  -10   16   11 o  262.125   13.840   89.901   9.3636   61.280   23.969   95.056   10.172  205.598   46.140  269.396   14.632 -63.79860 48.40477 
1 1 1  -10   16   12 o  162.752   18.431   35.223   7.6332   37.450   21.089   34.887   8.1884  160.509   47.429  161.601   19.988 -1.091949 51.46824 
1 1 1  -10   16   13 o  199.208   16.251   52.352   8.3128  105.000   25.270   45.963   8.8027  274.541   36.435  186.051   18.512 88.49042 40.86762 
1 1 1  -10   16   14 o  190.546   17.018   48.074   8.3112   30.140   24.210   50.470   8.8490  146.692   51.486  195.100   17.703 -48.40823 54.44475 
1 1 1  -10   16   15 o  367.366   13.110  176.468   12.476   0.0000   0.0000  176.468   12.476  ?   ?   367.366   13.110 0.000000 13.11037 
1 1 1  -10   16   16 f  174.772   22.245   41.358   9.8424   0.0000   0.0000   41.358   9.8424  ?   ?   174.772   22.245 0.000000 22.24512 
1 1 1  -10   16   17 o  241.690   14.312   76.972   8.9201   30.120   26.290   83.068   9.4827  144.372   53.264  251.008   14.648 -106.6360 55.24188 
1 1 1  -10   16   18 o   56.316   24.935  -1.7876   7.1986 -43.6800   19.971   4.4678   7.7173   63.375   31.484   71.562   28.234 -8.186646 42.28938 
1 1 1  -10   16   19 o  173.049   16.508   39.993   7.3101   41.352   11.058   38.939   9.7422  172.545   25.512  168.428   22.926 4.117325 34.29930 
1 1 1  -10   16   20 o   94.796   26.265   12.755   6.6719   27.196   9.9321   0.8801   9.0067  137.693   28.774   67.581   28.917 70.11213 40.79403 
1 1 1  -10   16   21 o  151.887   37.177   35.028   14.508   24.380   24.947   40.470   17.834  130.109   50.938  160.357   42.318 -30.24821 66.22321 
1 1 1  -10   16   22 o   79.628   26.484   8.5723   6.3881   2.7816   9.5130   13.328   8.6209   72.229   30.256   96.529   30.670 -24.30024 43.08186 
1 1 1  -10   16   23 o   60.925   25.114   2.2346   6.4073   13.850   9.4645  -7.5924   8.7056   98.014   32.219   53.129   24.938 44.88468 40.74266 
1 1 1  -10   16   24 o  100.358   25.983   14.663   6.8077   5.7474   9.7189   23.251   9.5386   77.976   31.376  124.938   29.877 -46.96230 43.32600 
1 1 1  -10   16   25 o   46.991   21.732  -4.2321   6.2315   3.7809   8.6354 -12.9384   9.0012   70.702   29.152   48.222   23.357 22.47973 37.35480 
1 1 1  -10   16   26 o   77.268   26.495   8.2559   6.3933   21.721   8.8188  -6.6612   9.2819  119.950   28.756   55.618   25.992 64.33174 38.76203 
1 1 1  -10   16   27 o  140.546   20.260   27.828   7.1629   31.419   10.563   24.770   9.7461  143.595   29.388  126.590   30.153 17.00555 42.10529 
1 1 1  -10   16   28 o  281.791   15.474  107.837   11.252  107.200   16.422  108.400   15.447  272.977   23.452  276.420   21.749 -3.442322 31.98498 
1 1 1  -10   16   29 o  111.780   25.023   18.851   7.0647   15.667   10.453   21.529   9.5856   98.153   33.865  115.372   31.286 -17.21872 46.10503 
1 1 1  -10   16   30 o  171.795   28.028   45.601   12.042   45.601   12.042   0.0000   0.0000  171.795   28.028  ?   ?  0.000000 28.02792 
1 1 1  -10   16   31 o  116.745   34.009   23.609   10.912   24.390   16.264   22.970   14.716  111.460   41.740  109.964   39.960 1.495598 57.78445 
1 1 1  -10   16   32 o  135.176   22.318   27.218   7.5417   17.406   11.649   34.298   9.8956   98.679   35.599  148.042   26.792 -49.36348 44.55439 
1 1 1  -10   16   33 o  133.227   24.417   27.421   8.1158   33.691   11.862   21.902   11.128  138.318   33.469  108.845   34.874 29.47293 48.33603 
1 1 1  -10   16   34 o   99.001   30.024   17.096   8.3694   17.350   12.645   16.898   11.165   94.559   36.474   94.631   34.743 -0.7241058E-01 50.37278 
1 1 1  -10   16   35 o   68.751   28.269   6.3347   8.0926  -2.7070   13.771   11.104   10.002   65.715   31.006   80.416   32.010 -14.70097 44.56485 
1 1 1  -10   16   36 o  124.543   30.160   28.005   9.6261   32.750   14.913   24.615   12.604  116.522   40.436  105.212   37.129 11.31025 54.89684 
1 1 1  -10   16   37 o   70.520   28.737   8.0544   8.2695   9.4079   11.581   6.6464   11.812   74.749   32.393   70.866   31.625 3.883171 45.27127 
1 1 1  -10   16   38 o  111.025   35.656   27.852   11.628   44.510   16.895   12.860   16.028  125.388   43.066   78.425   35.740 46.96311 55.96443 
1 1 1  -10   16   39 o   65.024   27.851   6.3524   8.3697   12.462   11.238  -1.2574   12.542   76.594   32.525   60.521   28.854 16.07278 43.47887 
1 1 1  -10   16   40 o   60.602   29.577  -3.6277   15.194 -11.4800   22.393   3.0710   20.683   63.102   31.649   68.422   33.623 -5.319851 46.17516 
1 1 1  -10   16   41 o   57.400   26.215   3.0675   8.6831   10.577   12.280  -4.4412   12.279   69.425   31.501   54.905   26.751 14.51959 41.32695 
1 1 1  -10   17    1 o  182.868   18.089   44.186   8.4562   45.619   12.919   43.113   11.185  183.383   28.092  179.071   24.778 4.312347 37.45782 
1 1 1  -10   17    2 o  320.977   12.657  134.139   10.523  115.035   15.053  152.401   14.717  295.490   19.781  341.477   16.639 -45.98700 25.84805 
1 1 1  -10   17    3 o  1023.02   12.624  1362.69   33.452  1321.54   46.486  1406.89   48.176  1004.79   17.861  1036.68   17.941 -31.88879 25.31554 
1 1 1  -10   17    4 o  446.560   11.577  259.454   13.391  264.661   19.828  255.087   18.159  449.832   17.016  441.904   15.864 7.928467 23.26408 
1 1 1  -10   17    5 f  231.149   18.611   70.473   11.049  124.800   22.575   53.361   12.670  304.734   28.947  199.333   25.094 105.4003 38.30961 
1 1 1  -10   17    6 o  179.975   23.645   43.484   10.756   24.140   20.189   51.151   12.711  135.658   47.050  194.823   25.823 -59.16534 53.67065 
1 1 1  -10   17    7 o   87.913   35.948   4.5693   12.996   11.850   19.528  -1.2200   17.413  113.781   44.905   90.868   39.549 22.91251 59.83796 
1 1 1  -10   17    8 o  181.709   19.465   43.873   9.0193   33.410   21.266   46.168   9.9595  153.176   48.110  186.067   21.033 -32.89134 52.50735 
1 1 1  -10   17    9 o  630.042   10.902  516.656   17.792  473.300   36.919  529.771   20.306  597.487   23.855  637.563   12.295 -40.07550 26.83702 
1 1 1  -10   17   10 o  550.414   10.940  394.453   15.597  430.100   35.840  386.125   17.324  568.864   24.322  544.197   12.290 24.66705 27.25079 
1 1 1  -10   17   11 o  259.115   14.026   88.019   9.3792  156.400   26.266   78.026   10.041  339.057   30.224  243.463   16.011 95.59435 34.20341 
1 1 1  -10   17   12 o  103.002   27.364   14.773   7.4248   21.780   23.112   13.966   7.8404  132.261   49.713  100.398   28.706 31.86245 57.40597 
1 1 1  -10   17   13 o  167.560   18.775   37.516   8.0089   17.500   22.438   40.438   8.5736  124.312   48.409  173.871   19.365 -49.55936 52.13834 
1 1 1  -10   17   14 o  292.649   16.609  113.144   12.538   0.0000   0.0000  113.144   12.538  ?   ?   292.649   16.609 0.000000 16.60873 
1 1 1  -10   17   15 o  145.650   23.834   29.173   8.6811   0.3032   23.953   33.538   9.3143  104.044   45.804  156.424   23.733 -52.38091 51.58767 
1 1 1  -10   17   16 o  153.745   21.215   32.156   8.2238 -10.9300   24.738   37.509   8.7198   94.678   43.613  166.431   20.672 -71.75327 48.26385 
1 1 1  -10   17   17 o  117.673   24.754   19.443   7.3061   28.440   20.645   18.155   7.8116  137.274   47.581  113.006   27.047 24.26797 54.73077 
1 1 1  -10   17   18 o  118.539   25.968   19.931   7.7528  -6.3110   24.826   22.767   8.1610   97.306   44.397  126.974   25.695 -29.66805 51.29653 
1 1 1  -10   17   19 o  217.884   18.083   63.778   10.113   57.810   26.909   64.760   10.913  183.800   53.367  218.958   19.444 -35.15854 56.79931 
1 1 1  -10   17   20 f   77.031   33.657   0.2361   12.719   2.6920   21.003  -1.1860   15.983   97.748   42.965   83.231   36.989 14.51646 56.69356 
1 1 1  -10   17   21 o   62.288   24.901   3.1741   6.0779   5.2405   8.9900   1.4344   8.2488   75.734   30.282   65.599   27.861 10.13494 41.14874 
1 1 1  -10   17   22 o  158.382   17.086   33.964   6.8986   36.517   10.321   31.903   9.2748  160.158   25.751  150.018   24.730 10.13991 35.70223 
1 1 1  -10   17   23 o  137.361   19.164   26.020   6.6328   16.160   10.061   33.601   8.8214  103.782   33.149  154.655   22.695 -50.87253 40.17390 
1 1 1  -10   17   24 o   94.370   25.082   13.020   6.2363  -0.1667   9.1232   24.585   8.5442   64.619   28.362  129.628   26.344 -65.00918 38.70956 
1 1 1  -10   17   25 f   67.930   25.615   5.4504   6.1458   10.755   8.7210   0.2172   8.6623   87.008   30.866   63.417   27.740 23.59179 41.49972 
1 1 1  -10   17   26 o  142.953   20.012   28.761   7.2071   27.048   10.202   30.467   10.183  132.036   30.451  141.615   28.741 -9.578644 41.87267 
1 1 1  -10   17   27 o  144.476   24.838   30.833   8.9602   23.450   12.162   39.600   13.252  117.691   36.288  156.559   33.677 -38.86860 49.50696 
1 1 1  -10   17   28 o  125.801   24.683   23.698   7.7560   45.459   11.502   5.5555   10.503  173.755   26.386   75.824   31.778 97.93133 41.30431 
1 1 1  -10   17   29 o  153.796   18.581   33.439   7.2521   36.133   9.9723   30.414   10.565  154.297   25.866  137.377   30.487 16.92067 39.98170 
1 1 1  -10   17   30 o   99.003   31.971   16.489   9.3386   19.033   10.997   9.9100   17.684  104.164   34.754   89.538   39.389 14.62579 52.52883 
1 1 1  -10   17   31 o   49.299   22.939  -4.0022   7.1067  -6.2451   10.497  -2.1045   9.6560   57.477   27.105   60.082   27.517 -2.604263 38.62450 
1 1 1  -10   17   32 o  144.339   32.527   36.054   11.870   0.0000   0.0000   36.054   11.870  ?   ?   144.339   32.527 0.000000 32.52735 
1 1 1  -10   17   33 o   84.339   29.176   12.020   7.7609   15.890   10.952   8.1169   10.999   92.423   34.323   76.764   32.363 15.65839 47.17495 
1 1 1  -10   17   34 o   78.470   29.441   10.379   8.0989   16.890   13.943   7.0641   9.9492   90.794   37.193   72.445   30.674 18.34910 48.21007 
1 1 1  -10   17   35 o   68.527   28.908   6.3411   8.7838   17.640   13.234  -2.5550   11.743   90.100   36.488   61.055   28.754 29.04574 46.45583 
1 1 1  -10   17   36 o   79.470   30.133   11.863   8.5351   12.262   12.299   11.493   11.854   79.342   33.867   78.086   33.287 1.256607 47.48649 
1 1 1  -10   17   37 o   65.375   27.788   6.1322   8.2172   13.470   15.225   3.1163   9.7609   78.987   35.527   62.344   28.206 16.64291 45.36257 
1 1 1  -10   17   38 o  128.674   30.820   32.484   10.137   41.684   12.689   16.250   16.855  138.352   35.293   79.645   36.433 58.70645 50.72391 
1 1 1  -10   17   39 o   62.185   28.527   3.9760   10.435   13.173   12.183 -21.3700   20.224   75.434   32.950   57.722   29.097 17.71142 43.95850 
1 1 1  -10   17   40 o   54.770   25.917  -0.4328   9.7479  -1.5310   16.406   0.1664   12.119   61.394   30.124   58.577   28.046 2.816517 41.15860 
1 1 1  -10   17   41 o   49.842   23.696  -1.5203   8.3394 -14.9698   12.902   8.1311   10.929   48.299   24.195   64.194   29.355 -15.89526 38.04069 
1 1 1  -10   18    1 o  238.622   15.180   74.711   9.3342   73.642   13.905   75.589   12.593  234.910   23.153  238.755   20.564 -3.845551 30.96624 
1 1 1  -10   18    2 o  236.566   15.650   73.499   9.5355   65.971   14.192   79.694   12.875  221.596   25.171  245.211   20.456 -23.61505 32.43525 
1 1 1  -10   18    3 o  305.530   13.557  121.800   10.729  123.153   16.035  120.703   14.438  305.154   20.403  302.646   18.506 2.508240 27.54593 
1 1 1  -10   18    4 o  597.325   11.388  464.584   17.620  448.861   25.271  479.460   24.580  585.350   16.667  605.369   15.675 -20.01953 22.88004 
1 1 1  -10   18    5 o  293.880   21.438  114.608   16.207   95.580   23.671  131.400   22.237  262.630   35.722  312.330   27.776 -49.69989 45.25002 
1 1 1  -10   18    6 o  613.066   16.636  492.722   26.419  471.000   37.646  513.800   37.083  595.275   24.415  622.635   22.993 -27.36041 33.53727 
1 1 1  -10   18    7 o  841.681   11.706  923.294   25.522  903.400   53.153  929.255   29.096  823.522   24.917  843.620   13.315 -20.09772 28.25188 
1 1 1  -10   18    8 o  363.728   13.078  172.759   12.322  262.600   29.161  153.230   13.596  442.712   25.537  342.028   15.346 100.6838 29.79327 
1 1 1  -10   18    9 o  241.217   14.277   76.404   8.8812  118.700   25.533   70.582   9.4727  292.385   34.368  231.427   15.898 60.95758 37.86714 
1 1 1  -10   18   10 o  268.000   13.726   94.219   9.4969   74.180   25.449   97.461   10.236  223.985   45.418  272.368   14.562 -48.38313 47.69528 
1 1 1  -10   18   11 o  351.790   12.096  161.659   11.022  306.700   30.997  140.665   11.793  477.250   25.163  327.708   13.893 149.5414 28.74318 
1 1 1  -10   18   12 o  217.394   16.868   62.665   9.4243   0.0000   0.0000   62.665   9.4243  ?   ?   217.394   16.868 0.000000 16.86806 
1 1 1  -10   18   13 o  176.312   22.065   42.175   9.8565   0.0000   0.0000   42.175   9.8565  ?   ?   176.312   22.065 0.000000 22.06515 
1 1 1  -10   18   14 o   86.743   28.495   10.082   7.4034   58.560   23.593   4.7870   7.7973  193.773   47.396   72.607   28.463 121.1660 55.28589 
1 1 1  -10   18   15 o  113.287   26.905   18.235   7.7778   35.410   24.567   16.321   8.1996  149.851   51.905  106.858   28.919 42.99348 59.41758 
1 1 1  -10   18   16 o  182.726   17.541   44.774   8.2004   6.4510   23.413   50.132   8.7550  107.391   46.298  193.390   17.673 -85.99877 49.55669 
1 1 1  -10   18   17 o  327.136   14.708  141.419   12.463  182.000   29.722  132.761   13.729  356.518   32.544  315.571   16.856 40.94705 36.64983 
1 1 1  -10   18   18 o  282.552   13.526  105.300   9.8997   92.630   25.593  107.530   10.735  244.986   41.831  284.754   14.604 -39.76820 44.30696 
1 1 1  -10   18   19 o  147.232   31.732   32.029   11.745   3.0550   19.344   48.947   14.781   94.717   41.442  182.440   32.469 -87.72356 52.64672 
1 1 1  -10   18   20 o   87.020   30.036   10.338   8.2231   20.900   22.621   8.7300   8.8270  120.967   48.143   83.510   30.853 37.45691 57.18108 
1 1 1  -10   18   21 o   83.179   29.101   9.3390   7.7317   32.140   23.715   6.6271   8.1785  136.499   50.543   76.586   29.387 59.91360 58.46552 
1 1 1  -10   18   22 o   67.721   24.901   5.5333   5.7385  -0.6125   7.6219   13.577   8.7194   58.925   25.892   95.956   30.883 -37.03110 40.30043 
1 1 1  -10   18   23 o   65.545   25.762   4.3093   6.4026   8.5207   9.3288   0.5590   8.8034   82.483   31.449   64.696   28.139 17.78739 42.20007 
1 1 1  -10   18   24 o  126.097   21.746   22.681   6.8463   19.637   10.055   25.312   9.3480  111.635   32.682  129.326   28.659 -17.69103 43.46761 
1 1 1  -10   18   25 o  167.423   17.007   38.550   7.2733   30.899   11.068   44.364   9.6491  140.467   31.229  176.772   21.517 -36.30450 37.92369 
1 1 1  -10   18   26 o   47.318   22.233  -5.6351   6.9491   8.7660   9.7816 -20.3100   9.8742   81.623   31.913   44.801   22.236 36.82169 38.89567 
1 1 1  -10   18   27 o   72.500   27.215   7.0079   6.9221   12.229   9.2415   0.3345   10.448   88.741   31.742   66.928   29.815 21.81330 43.54880 
1 1 1  -10   18   28 o   76.747   26.664   8.7314   6.4853   11.817   10.631   6.9025   8.1847   87.555   33.527   73.701   29.076 13.85355 44.37877 
1 1 1  -10   18   29 o  139.503   22.541   28.906   7.8674   32.855   11.783   25.730   10.568  138.900   33.200  122.793   32.659 16.10621 46.57125 
1 1 1  -10   18   30 o   46.298   22.746 -14.8712   9.4492   12.160   21.346 -21.4589   10.538   92.410   41.769   45.267   22.550 47.14355 47.46731 
1 1 1  -10   18   31 o  102.966   28.313   17.652   7.7864   20.780   10.724   14.165   11.324  106.178   34.257   89.749   34.545 16.42829 48.65076 
1 1 1  -10   18   32 o  112.086   29.215   21.514   8.5687   7.5320   12.631   33.435   11.663   77.292   33.662  135.794   33.391 -58.50184 47.41349 
1 1 1  -10   18   33 o   49.787   23.252  -3.4758   7.4086  -0.8844   13.460  -4.6021   8.8737   66.846   31.259   52.873   24.930 13.97260 39.98232 
1 1 1  -10   18   34 o   71.190   29.167   7.7941   8.5762  -2.5150   13.077   15.575   11.361   63.362   29.993   87.393   34.327 -24.03064 45.58397 
1 1 1  -10   18   35 o   74.582   29.332   9.8923   8.3051   6.3197   12.416   12.785   11.173   70.754   31.929   80.181   33.119 -9.426987 46.00364 
1 1 1  -10   18   36 o   61.646   26.883   4.3249   8.0803   5.7130   12.607   3.3571   10.527   68.715   31.460   63.596   28.975 5.119228 42.77060 
1 1 1  -10   18   37 o  115.302   31.995   27.516   9.8923   24.679   11.880   33.930   17.863   99.452   35.940   99.294   41.515 0.1576767 54.91077 
1 1 1  -10   18   38 o   54.342   25.371  -0.2597   8.8105   6.4356   12.477  -6.9194   12.443   66.679   30.806   54.628   26.684 12.05102 40.75610 
1 1 1  -10   18   39 o   51.235   25.647 -16.1991   14.377 -10.6700   20.895 -21.1700   19.812   60.524   30.385   55.897   28.253 4.626812 41.49075 
1 1 1  -10   18   40 o   90.993   30.486   19.426   8.4622   21.378   11.412   17.043   12.613   84.967   34.067   75.401   33.214 9.566292 47.57854 
1 1 1  -10   19    1 o  520.393   13.160  353.714   17.740  356.600   32.417  352.480   21.195  517.360   24.190  518.530   15.780 -1.170349 28.88161 
1 1 1  -10   19    2 o  608.643   16.437  486.184   25.914  465.200   36.591  507.300   36.706  591.044   23.900  617.881   22.934 -26.83691 33.12371 
1 1 1  -10   19    3 o  388.990   18.796  199.449   18.939  160.300   26.615  239.600   26.954  342.857   30.280  423.025   24.706 -80.16852 39.08015 
1 1 1  -10   19    4 o  355.204   27.627  170.700   25.220   0.0000   0.0000  170.700   25.220  ?   ?   355.204   27.627 0.000000 27.62742 
1 1 1  -10   19    5 o  203.240   25.806   56.163   13.279   0.0000   0.0000   56.163   13.279  ?   ?   203.240   25.806 0.000000 25.80569 
1 1 1  -10   19    6 o  333.314   13.989  145.436   12.078  129.364   17.463  160.178   16.724  311.303   21.793  347.904   18.625 -36.60129 28.66796 
1 1 1  -10   19    7 o  191.946   16.146   48.757   7.9533   46.190   24.141   49.070   8.4236  173.609   50.588  192.322   17.087 -18.71265 53.39577 
1 1 1  -10   19    8 o  272.482   13.837   97.512   9.7341   84.280   26.142   99.642   10.488  238.991   43.844  275.185   14.768 -36.19450 46.26426 
1 1 1  -10   19    9 o  239.056   14.665   75.300   9.0370  100.300   26.521   72.017   9.6122  262.964   40.214  233.387   15.997 29.57780 43.27863 
1 1 1  -10   19   10 o   84.540   29.857   8.8862   8.1512   0.0000   0.0000   8.8862   8.1512  ?   ?    84.540   29.857 0.000000 29.85664 
1 1 1  -10   19   11 o  244.586   17.519   79.574   11.026   0.0000   0.0000   79.574   11.026  ?   ?   244.586   17.519 0.000000 17.51875 
1 1 1  -10   19   12 o  228.817   15.336   69.336   9.0372   59.340   25.690   70.747   9.6543  192.077   50.839  230.837   16.250 -38.75998 53.37284 
1 1 1  -10   19   13 o  235.845   15.269   73.720   9.2782   74.160   26.108   73.656   9.9261  216.749   47.788  235.338   16.385 -18.58894 50.51856 
1 1 1  -10   19   14 f  104.271   28.152   15.589   7.7814   40.580   24.246   12.720   8.2160  157.067   51.566   95.154   29.907 61.91253 59.61063 
1 1 1  -10   19   15 o  242.295   15.186   77.985   9.4829   96.010   26.664   75.375   10.146  249.565   42.787  237.618   16.589 11.94696 45.89017 
1 1 1  -10   19   16 o  154.441   21.722   32.898   8.4498   7.4300   25.405   36.066   8.9599  109.549   47.724  161.717   21.957 -52.16775 52.53286 
1 1 1  -10   19   17 o  221.010   17.821   65.803   10.116   41.620   21.917   72.349   11.403  156.901   48.771  231.090   19.224 -74.18927 52.42253 
1 1 1  -10   19   18 f  119.311   36.106   21.780   12.113   1.3380   22.918   29.703   14.269   98.261   43.937  137.565   38.516 -39.30438 58.42892 
1 1 1  -10   19   19 o   58.974   26.039  -1.0946   7.7964   14.150   22.609  -3.1521   8.3059  111.025   46.582   57.488   26.013 53.53663 53.35287 
1 1 1  -10   19   20 o  127.854   25.219   23.586   8.0553   8.0960   22.465   25.872   8.6291  102.702   44.806  133.731   25.846 -31.02863 51.72567 
1 1 1  -10   19   21 o   46.317   21.861  -6.6131   6.8563 -17.9100   19.789  -5.0720   7.3091   74.352   35.662   50.350   23.373 24.00268 42.63885 
1 1 1  -10   19   22 o  219.606   15.916   65.259   8.9924   36.870   21.006   71.629   9.9502  140.600   48.028  229.535   16.853 -88.93463 50.89864 
1 1 1  -10   19   23 o  253.639   16.420   87.537   10.730   90.230   22.188   86.715   12.259  235.603   37.622  250.384   19.045 -14.78072 42.16784 
1 1 1  -10   19   24 o  148.547   17.622   30.617   6.6482   26.811   8.7898   35.704   10.163  133.669   26.323  154.752   26.294 -21.08308 37.20591 
1 1 1  -10   19   25 o   94.271   28.848   13.912   7.7025   13.990   11.144   13.840   10.658   94.142   34.688   93.658   34.012 0.4835434 48.57996 
1 1 1  -10   19   26 o  113.194   27.298   20.024   7.9111   26.299   10.836   12.860   11.577  125.444   32.929   90.821   34.937 34.62309 48.00962 
1 1 1  -10   19   27 o   71.647   27.273   6.9048   7.0090   2.7185   10.417   10.367   9.4741   69.646   30.444   83.113   31.692 -13.46741 43.94552 
1 1 1  -10   19   28 o   94.226   27.984   14.376   7.3269   22.673   10.977   7.7085   9.8399  112.867   34.418   76.969   31.354 35.89745 46.55867 
1 1 1  -10   19   29 o   59.849   28.690  -9.5504   12.771 -18.7700   19.219  -2.2600   17.090   66.516   32.631   74.393   34.926 -7.876945 47.79730 
1 1 1  -10   19   30 o   56.753   25.032   0.7898   7.1864   0.4694   9.9723   1.1360   10.365   63.464   28.629   65.267   29.339 -1.803322 40.99291 
1 1 1  -10   19   31 o   48.863   23.107  -5.3183   7.7261  -2.5480   12.563  -7.0036   9.7981   64.462   30.161   53.384   25.465 11.07788 39.47392 
1 1 1  -10   19   32 o  153.164   23.807   37.050   9.1384   51.570   15.470   29.267   11.326  160.092   37.893  122.962   34.275 37.12904 51.09461 
1 1 1  -10   19   33 o   72.678   29.503   8.5557   8.6752   11.860   13.857   6.4257   11.125   80.323   35.112   70.898   31.214 9.424957 46.98046 
1 1 1  -10   19   34 o   64.232   27.284   5.4037   7.9125   21.148   12.484  -5.1672   10.230   94.646   36.310   54.119   25.872 40.52759 44.58512 
1 1 1  -10   19   35 o   56.439   25.182   2.0794   7.4858   12.050   10.895  -6.8381   10.303   76.902   32.304   51.990   25.135 24.91219 40.93075 
1 1 1  -10   19   36 o  109.894   34.271   27.404   10.812   23.400   15.684   31.030   14.926   88.137   37.946  101.962   39.544 -13.82484 54.80554 
1 1 1  -10   19   37 o   42.705   20.998  -9.8295   8.1056  -7.0865   10.903 -13.2179   12.119   51.608   25.158   49.777   24.694 1.830502 35.25227 
1 1 1  -10   19   38 o   49.016   23.932  -6.9705   9.9784  -2.6436   11.610 -19.2000   19.519   55.397   26.758   56.141   28.336 -0.7442970 38.97363 
1 1 1  -10   19   39 o   46.316   22.924 -10.0870   10.221  -8.4360   20.730 -10.6173   11.749   59.147   29.770   48.809   24.231 10.33759 38.38490 
1 1 1  -10   19   40 o   46.763   23.219  -9.3953   10.805 -55.8400   23.144   3.5483   12.218   48.011   24.707   57.946   27.853 -9.934532 37.23186 
1 1 1  -10   20    1 o  217.016   17.935   62.609   9.9918   50.730   14.883   72.357   13.482  190.171   31.302  231.666   22.760 -41.49522 38.70208 
1 1 1  -10   20    2 o  551.879   11.446  397.696   16.363  409.574   24.036  387.437   22.338  557.542   16.643  542.673   15.892 14.86890 23.01179 
1 1 1  -10   20    3 o  352.909   12.834  162.990   11.732  162.493   17.258  163.418   15.998  349.685   19.125  351.790   17.556 -2.104889 25.96117 
1 1 1  -10   20    4 o  249.456   16.360   82.326   10.513   76.373   16.034   86.814   13.923  236.154   26.680  254.361   21.328 -18.20705 34.15690 
1 1 1  -10   20    5 o  189.322   21.084   48.331   10.164   40.758   15.265   54.362   13.623  167.504   36.235  198.462   27.216 -30.95807 45.31791 
1 1 1  -10   20    6 o  241.682   17.101   77.539   10.636   65.778   15.916   87.031   14.298  217.578   28.959  254.185   21.931 -36.60672 36.32604 
1 1 1  -10   20    7 o  152.843   35.523   34.117   13.797   0.0000   0.0000   34.117   13.797  ?   ?   152.843   35.523 0.000000 35.52343 
1 1 1  -10   20    8 o  186.568   20.546   47.012   9.7645   0.0000   0.0000   47.012   9.7645  ?   ?   186.568   20.546 0.000000 20.54576 
1 1 1  -10   20    9 o  129.115   25.567   23.392   8.2481 -23.4000   23.691   29.846   8.7986   82.997   39.593  146.870   23.953 -63.87364 46.27514 
1 1 1  -10   20   10 o  157.211   19.177   33.428   7.6473   23.220   21.469   34.911   8.1841  128.305   47.975  160.366   20.147 -32.06099 52.03380 
1 1 1  -10   20   11 o  168.090   19.147   38.209   8.1881   12.450   23.402   41.802   8.7405  114.318   47.633  175.759   19.529 -61.44072 51.48076 
1 1 1  -10   20   12 o  218.128   16.353   63.487   9.1726   97.320   27.202   59.147   9.7433  251.055   43.400  209.806   18.106 41.24872 47.02515 
1 1 1  -10   20   13 o  119.335   25.672   20.291   7.7002   10.780   22.617   21.538   8.1895  109.878   46.370  122.697   26.539 -12.81880 53.42793 
1 1 1  -10   20   14 o  197.176   18.084   52.462   9.1335   0.3447   26.448   59.519   9.7322  103.884   46.766  210.124   18.056 -106.2403 50.13057 
1 1 1  -10   20   15 o  165.969   20.162   37.739   8.4900   44.590   23.713   36.732   9.0928  160.286   50.860  162.823   22.133 -2.537964 55.46701 
1 1 1  -10   20   16 o  292.596   13.917  113.393   10.548   89.890   26.211  117.934   11.522  235.767   44.552  297.521   14.998 -61.75429 47.00884 
1 1 1  -10   20   17 o  185.348   34.759   52.161   16.075   27.440   25.255   69.000   20.843  129.907   51.131  209.157   39.928 -79.24956 64.87385 
1 1 1  -10   20   18 o  137.744   25.753   27.390   8.8507   17.560   21.241   29.455   9.7362  113.071   46.064  142.020   27.459 -28.94907 53.62770 
1 1 1  -10   20   19 o  313.067   13.158  130.091   10.671   97.100   24.626  137.717   11.840  245.841   40.050  321.459   14.219 -75.61833 42.49959 
1 1 1  -10   20   20 o  275.950   14.201  101.951   10.116   65.410   24.767  109.267   11.083  187.360   50.073  285.129   15.059 -97.76854 52.28889 
1 1 1  -10   20   21 o  151.798   20.723   32.453   7.9356   10.290   22.778   35.514   8.4659  101.630   44.706  158.652   21.126 -57.02209 49.44602 
1 1 1  -10   20   22 f  149.110   20.878   31.558   7.8429   10.410   22.948   34.355   8.3454  100.230   44.443  155.407   21.291 -55.17726 49.27939 
1 1 1  -10   20   23 o  167.217   19.384   39.360   8.2404   3.3390   23.634   44.345   8.7922   92.736   42.685  177.554   19.434 -84.81838 46.90076 
1 1 1  -10   20   24 o   47.040   22.623  -9.4593   8.0843   0.0000   0.0000  -9.4593   8.0843  ?   ?    47.040   22.623 0.000000 22.62255 
1 1 1  -10   20   25 o   69.550   29.111   4.4921   8.7967   17.400   22.811   2.2372   9.5341  101.698   44.737   67.091   29.232 34.60658 53.44038 
1 1 1  -10   20   26 o  102.451   26.631   16.631   7.1325   20.796   10.177   12.610   9.9995  109.590   33.078   88.212   32.789 21.37747 46.57578 
1 1 1  -10   20   27 f  157.763   19.453   35.944   7.7811   36.428   11.771   35.568   10.370  146.958   31.842  149.412   27.818 -2.454529 42.28195 
1 1 1  -10   20   28 o   61.357   28.369  -2.5471   10.610 -12.6300   16.925   3.9800   13.618   65.790   31.905   75.185   33.725 -9.394554 46.42572 
1 1 1  -10   20   29 o   48.602   22.542  -3.1893   6.7775 -12.7886   10.255   4.2547   9.0308   49.800   24.303   67.264   28.873 -17.46431 37.74014 
1 1 1  -10   20   30 o   45.684   21.608  -5.0029   6.7625  -0.4030   12.383  -6.9580   8.0727   66.072   30.583   47.984   22.952 18.08838 38.23781 
1 1 1  -10   20   31 o   81.656   29.149   11.758   7.7894   2.7800   11.927   18.435   10.286   67.946   30.912   96.421   33.576 -28.47504 45.63898 
1 1 1  -10   20   32 o  115.034   28.998   23.839   8.6380   20.420   15.133   25.491   10.520   91.741   38.271  112.463   33.562 -20.72199 50.90295 
1 1 1  -10   20   33 o   80.546   29.255   12.349   7.8859   4.7510   12.387   17.527   10.226   68.116   31.186   90.242   33.232 -22.12577 45.57298 
1 1 1  -10   20   34 o   91.711   29.644   16.766   8.0274   34.369   12.171   3.2128   10.679  123.313   35.917   63.037   28.896 60.27663 46.09745 
1 1 1  -10   20   35 o   45.155   21.975  -7.7322   8.2193  -4.6970   14.377  -9.2059   10.018   59.434   28.955   48.517   23.750 10.91747 37.44915 
1 1 1  -10   20   36 o   59.773   26.904   4.0497   8.7494   7.6383   12.404   0.4959   12.344   67.287   30.953   59.951   28.594 7.335163 42.13921 
1 1 1  -10   20   37 o   87.195   30.348   17.328   8.4033   25.724   11.198   6.5060   12.713   97.837   34.948   64.618   30.268 33.21906 46.23303 
1 1 1  -10   20   38 o   58.269   28.449  -0.1594   14.096  -5.6740   20.300   4.9750   19.588   59.658   29.950   63.896   31.645 -4.238384 43.57054 
1 1 1  -10   20   39 o   73.130   30.093   14.451   9.1798  -2.6083   13.240   30.241   12.739   54.147   26.665   92.535   36.348 -38.38826 45.08049 
1 1 1  -10   21    1 o  105.448   32.728   15.766   9.8740   7.6800   18.947   18.782   11.569  102.479   42.793  114.174   35.425 -11.69514 55.55331 
1 1 1  -10   21    2 o  266.265   17.247   94.335   11.832  123.600   21.914   82.294   14.057  298.285   28.717  246.425   22.262 51.86018 36.33569 
1 1 1  -10   21    3 o  265.058   17.823   93.684   12.166   51.520   20.562  116.394   15.090  182.763   43.969  294.557   19.895 -111.7943 48.26043 
1 1 1  -10   21    4 o  229.701   23.322   71.982   13.684   82.320   21.201   64.600   17.915  238.469   35.397  211.817   33.786 26.65158 48.93348 
1 1 1  -10   21    5 o  249.253   23.306   84.726   14.873   79.540   21.907   89.160   20.256  232.521   37.659  250.451   31.952 -17.93008 49.38765 
1 1 1  -10   21    6 o   55.988   26.568 -11.2002   10.387 -21.5024   14.002   1.4100   15.491   59.255   28.801   86.360   37.444 -27.10482 47.23956 
1 1 1  -10   21    7 o  131.314   29.413   24.856   9.7563   18.597   15.226   29.217   12.708  114.819   40.778  140.162   35.084 -25.34332 53.79350 
1 1 1  -10   21    8 o  134.568   34.379   26.930   12.027 -18.7200   25.066   40.584   13.709   87.920   41.589  166.650   32.925 -78.72984 53.04449 
1 1 1  -10   21    9 o  137.316   22.885   26.228   7.8535   14.520   24.502   27.569   8.2909  117.046   48.752  140.560   23.608 -23.51429 54.16770 
1 1 1  -10   21   10 o  156.953   20.376   33.715   8.0887   34.250   21.405   33.626   8.7365  144.652   48.486  155.960   22.257 -11.30783 53.35032 
1 1 1  -10   21   11 o  221.779   16.316   65.813   9.3071   31.520   25.279   71.190   10.010  139.065   52.046  230.446   16.887 -91.38129 54.71725 
1 1 1  -10   21   12 o  385.865   12.416  196.120   12.410  120.400   27.641  215.237   13.889  280.834   39.054  403.748   13.280 -122.9142 41.25016 
1 1 1  -10   21   13 o  110.707   27.606   17.890   7.8893   3.5120   24.690   19.524   8.3258  102.958   45.851  115.517   28.095 -12.55912 53.77414 
1 1 1  -10   21   14 o  299.140   13.796  118.578   10.690   81.340   25.468  126.542   11.778  221.860   45.833  308.531   14.737 -86.67059 48.14432 
1 1 1  -10   21   15 o  193.740   25.992   53.494   12.715   4.1490   24.983   70.743   14.771  102.531   45.858  223.085   26.053 -120.5540 52.74192 
1 1 1  -10   21   16 o  234.831   27.627   79.559   16.484   36.150   24.328  116.400   22.412  140.699   51.341  280.507   31.383 -139.8085 60.17277 
1 1 1  -10   21   17 o  107.630   28.191   17.329   7.9530  -9.1450   23.738   20.676   8.4408   87.961   41.253  117.721   28.075 -29.75990 49.90000 
1 1 1  -10   21   18 o  126.600   26.099   23.592   8.2744   22.140   25.176   23.767   8.7611  118.160   49.334  126.253   27.563 -8.093010 56.51178 
1 1 1  -10   21   19 o  118.322   25.437   20.695   7.5644   3.5130   23.416   22.697   7.9930   95.795   43.479  123.876   25.750 -28.08099 50.53200 
1 1 1  -10   21   20 o   97.626   28.579   14.634   7.6886 -14.3000   20.291   19.485   8.3081   75.802   36.292  112.562   28.474 -36.76002 46.12896 
1 1 1  -10   21   21 o  252.469   14.641   86.329   9.5335   74.200   21.720   89.224   10.610  204.231   42.443  255.511   16.114 -51.28020 45.39909 
1 1 1  -10   21   22 o  153.469   20.207   33.604   7.8376  -5.0850   20.249   40.422   8.5002   80.491   37.861  168.769   19.821 -88.27863 42.73610 
1 1 1  -10   21   23 o   63.337   27.242   2.1571   8.0676   0.0000   0.0000   2.1571   8.0676  ?   ?    63.337   27.242 0.000000 27.24175 
1 1 1  -10   21   24 o   57.509   24.234   2.1980   6.1624   10.280   18.764   1.2209   6.5243   90.577   40.174   56.504   24.400 34.07306 47.00312 
1 1 1  -10   21   25 f  120.848   25.304   22.710   7.6670   14.020   18.701   24.465   8.4059   93.425   40.816  124.216   26.904 -30.79112 48.88490 
1 1 1  -10   21   26 o   67.998   26.997   5.8750   7.0976  -5.2200   20.042   7.4659   7.5894   75.919   36.272   72.757   28.203 3.161613 45.94664 
1 1 1  -10   21   27 f  101.042   37.888   20.419   13.409   9.8360   21.333   27.330   17.240   87.602   40.406  109.576   42.499 -21.97361 58.64103 
1 1 1  -10   21   28 o   65.053   27.880   3.9260   8.3957   9.5880   22.458   3.0061   9.0521   86.207   40.333   64.717   28.332 21.49009 49.28933 
1 1 1  -10   21   29 o   56.098   24.875   0.9567   7.1900  -9.7700   12.225   6.6288   8.8900   56.495   27.329   70.331   29.336 -13.83590 40.09375 
1 1 1  -10   21   30 o   93.804   28.734   15.828   7.6396   21.100   12.077   12.312   9.8636   98.665   36.148   81.572   32.003 17.09258 48.27894 
1 1 1  -10   21   31 o   79.948   29.951   11.966   8.3757   2.9400   14.062   16.929   10.427   68.854   32.115   89.766   33.460 -20.91145 46.37829 
1 1 1  -10   21   32 o   46.602   22.277  -5.2581   7.5809 -21.4799   11.286   8.0765   10.233   44.742   22.444   70.463   30.492 -25.72128 37.86188 
1 1 1  -10   21   33 o   42.136   20.633  -9.2262   7.5768 -11.8962   11.466  -7.1564   10.095   50.170   24.728   50.750   24.618 -0.5799866 34.89294 
1 1 1  -10   21   34 o   64.369   27.500   6.7278   8.1228   1.7630   14.661   8.9269   9.7573   63.984   30.691   69.023   29.822 -5.038372 42.79353 
1 1 1  -10   21   35 o   58.840   27.112   2.9589   9.5699  -4.7846   12.869   12.540   14.314   55.944   27.285   72.246   33.241 -16.30243 43.00505 
1 1 1  -10   21   36 f   52.202   24.515  -0.1862   8.4311   2.4489   11.704  -3.0285   12.156   59.434   28.203   55.239   26.846 4.195545 38.93737 
1 1 1  -10   21   37 o   60.879   28.604   5.5688   11.501   12.796   14.122  -8.6700   19.821   68.343   31.977   57.834   29.109 10.50859 43.24239 
1 1 1  -10   21   38 o   64.216   27.339   9.4048   7.9775   6.2137   11.227   12.659   11.338   59.529   28.060   67.020   30.353 -7.490883 41.33574 
1 1 1  -10   22    1 o   96.776   32.239   13.087   9.4645   26.573   14.233   2.3951   12.672  131.795   38.969   80.396   34.348 51.39909 51.94586 
1 1 1  -10   22    2 o  297.654   14.590  117.122   11.249  125.847   17.053  110.401   14.967  304.102   21.793  285.625   20.363 18.47729 29.82584 
1 1 1  -10   22    3 o  251.062   16.801   84.244   10.863   90.828   16.511   79.218   14.424  255.918   25.236  239.919   23.512 15.99960 34.49192 
1 1 1  -10   22    4 o  337.549   13.730  150.353   12.005  119.718   17.805  175.885   16.255  295.218   23.478  363.127   17.281 -67.90884 29.15234 
1 1 1  -10   22    5 o  354.796   13.831  166.224   12.711  160.978   18.462  170.951   17.527  344.476   20.788  356.296   19.060 -11.81982 28.20370 
1 1 1  -10   22    6 o  219.452   18.936   65.135   10.659   78.933   15.673   53.264   14.538  237.568   25.888  192.165   30.203 45.40364 39.77983 
1 1 1  -10   22    7 o   68.916   29.592   1.0594   9.4921  -7.6705   14.509   7.5909   12.550   71.950   33.234   88.357   35.620 -16.40625 48.71625 
1 1 1  -10   22    8 o  113.370   30.909   19.045   9.3262   3.0745   14.391   30.609   12.246   84.661   36.398  142.567   33.693 -57.90620 49.59854 
1 1 1  -10   22    9 f  248.075   14.418   81.863   9.2246   74.920   25.628   82.897   9.8873  211.660   47.865  249.185   15.394 -37.52551 50.27958 
1 1 1  -10   22   10 o   59.767   25.876   0.1173   7.3765 -19.4100   21.965   2.5996   7.8314   79.337   37.924   66.431   27.607 12.90569 46.90794 
1 1 1  -10   22   11 o  173.050   19.194   40.973   8.4588   35.390   24.162   41.753   9.0302  141.804   51.253  174.117   20.409 -32.31340 55.16727 
1 1 1  -10   22   12 o  208.214   16.442   58.428   8.7956   67.330   22.388   56.804   9.5646  201.841   44.058  204.363   18.261 -2.521759 47.69187 
1 1 1  -10   22   13 o  222.952   16.393   67.038   9.4008   33.100   25.097   72.577   10.139  135.994   51.646  231.674   17.014 -95.67934 54.37671 
1 1 1  -10   22   14 o   76.211   32.410   3.3242   11.189 -12.3700   20.657   9.8411   13.311   80.208   37.884   91.683   36.781 -11.47443 52.80199 
1 1 1  -10   22   15 o   66.669   28.035   2.5519   8.2198   0.4777   23.724   2.8349   8.7625   95.155   43.410   68.787   28.937 26.36776 52.17037 
1 1 1  -10   22   16 f  139.660   22.148   27.750   7.7448   36.140   23.897   26.765   8.1867  136.610   50.707  136.025   24.118 0.5848389 56.15004 
1 1 1  -10   22   17 o   48.185   22.499  -5.2259   6.9325   15.230   21.165  -7.6842   7.3372  105.530   44.714   46.689   22.206 58.84065 49.92458 
1 1 1  -10   22   18 o  131.642   24.633   25.518   8.0911   8.8790   24.148   27.623   8.5875   99.829   44.836  136.736   25.173 -36.90760 51.41928 
1 1 1  -10   22   19 o  107.451   26.631   17.652   7.3747 -28.9400   25.048   22.074   7.7167   74.814   36.811  121.283   25.378 -46.46937 44.71098 
1 1 1  -10   22   20 f  306.735   13.868  126.940   11.019   58.520   27.331  140.219   12.041  155.364   54.692  321.835   14.443 -166.4708 56.56718 
1 1 1  -10   22   21 o  250.468   17.033   87.083   10.985   0.0000   0.0000   87.083   10.985  ?   ?   250.468   17.033 0.000000 17.03329 
1 1 1  -10   22   22 o   51.665   24.125  -4.7577   7.9720 -27.4600   23.030  -1.6670   8.4973   69.707   34.485   57.730   26.198 11.97691 43.30783 
1 1 1  -10   22   23 o   54.106   24.489  -1.4450   7.3674 -12.8900   20.975   0.1656   7.8687   73.248   35.521   58.381   25.949 14.86664 43.98946 
1 1 1  -10   22   24 o   63.948   26.846   3.7648   7.5172  -9.0670   20.917   5.6679   8.0553   74.569   35.994   69.183   28.297 5.385544 45.78513 
1 1 1  -10   22   25 o  120.115   27.341   23.520   8.3157  -3.7460   22.284   27.931   8.9632   78.535   37.715  131.372   27.234 -52.83724 46.51951 
1 1 1  -10   22   26 o   56.231   26.512  -5.0809   10.036  -1.4180   21.711  -6.0762   11.318   78.242   37.481   58.448   27.735 19.79400 46.62701 
1 1 1  -10   22   27 o   81.309   31.351   11.392   9.3395   0.7139   21.949   13.752   10.320   78.395   37.589   86.549   33.059 -8.154633 50.05849 
1 1 1  -10   22   28 o   75.225   29.413   9.3360   8.3095   0.0000   0.0000   9.3360   8.3095  ?   ?    75.225   29.413 0.000000 29.41281 
1 1 1  -10   22   29 o   73.328   30.746   8.6256   9.8397   0.0000   0.0000   8.6256   9.8397  ?   ?    73.328   30.746 0.000000 30.74611 
1 1 1  -10   22   30 o   58.673   27.233  -0.2795   9.9162   0.0000   0.0000  -0.2795   9.9162  ?   ?    58.673   27.233 0.000000 27.23263 
1 1 1  -10   22   31 o   99.247   28.349   18.652   7.6502   25.685   10.878   11.769   10.761  106.992   34.500   76.165   32.056 30.82704 47.09383 
1 1 1  -10   22   32 o   56.273   25.381   2.1274   7.8331   5.3313   11.960  -0.2794   10.366   65.792   30.313   57.535   27.071 8.257256 40.64178 
1 1 1  -10   22   33 o   58.806   26.337   3.7968   8.2704   6.1180   14.341   2.6401   10.124   66.687   31.519   59.575   27.603 7.112022 41.89721 
1 1 1  -10   22   34 o   79.751   31.693   15.669   9.7896   25.526   13.689   5.3490   14.006   89.439   36.769   64.427   30.654 25.01155 47.87115 
1 1 1  -10   22   35 o   49.622   23.485  -1.3543   8.0109  -1.4116   10.947  -1.2882   11.754   54.497   26.238   55.635   26.885 -1.137623 37.56678 
1 1 1  -10   22   36 o   59.498   27.996   4.9925   11.087   9.3679   13.387  -4.5600   19.781   64.460   30.462   58.737   29.499 5.723118 42.40414 
1 1 1  -10   22   37 o   50.366   24.523  -2.3612   10.273 -24.6300   18.875   7.0107   12.245   49.981   25.491   60.049   28.596 -10.06736 38.30785 
1 1 1  -10   23    1 o  180.624   20.740   44.855   9.5277   55.219   14.698   37.343   12.513  194.905   30.081  158.803   31.531 36.10187 43.57843 
1 1 1  -10   23    2 o  350.662   13.457  162.639   12.223  150.242   18.327  172.571   16.405  331.165   21.481  358.525   17.664 -27.35941 27.81104 
1 1 1  -10   23    3 o  202.406   19.986   56.023   10.342   46.024   15.459   64.123   13.914  173.798   35.539  213.147   25.721 -39.34898 43.86981 
1 1 1  -10   23    4 o  156.893   25.117   34.936   9.8634   15.640   15.263   48.771   12.925  106.296   40.298  184.105   27.983 -77.80949 49.06102 
1 1 1  -10   23    5 o  343.780   14.288  156.880   12.723  135.826   18.686  175.077   17.372  313.022   23.211  359.638   18.713 -46.61597 29.81484 
1 1 1  -10   23    6 o  367.534   13.323  178.817   12.683  163.912   19.025  190.742   17.017  345.520   21.362  376.697   17.439 -31.17697 27.57640 
1 1 1  -10   23    7 o  194.187   20.773   52.004   10.287   36.318   15.551   64.207   13.716  150.390   39.435  212.960   25.364 -62.57040 46.88748 
1 1 1  -10   23    8 o   81.999   31.742   7.7846   9.6033 -20.0958   14.946   27.387   12.533   61.683   29.929  132.260   35.735 -70.57616 46.61298 
1 1 1  -10   23    9 o  104.762   34.126   16.615   10.627   5.6480   22.937   19.613   11.992  100.517   44.508  112.377   36.222 -11.85975 57.38451 
1 1 1  -10   23   10 o  178.390   18.996   43.709   8.6429   48.370   23.554   42.984   9.2910  161.443   50.621  175.922   20.791 -14.47891 54.72414 
1 1 1  -10   23   11 o  190.778   17.479   49.596   8.5414   75.710   24.681   46.043   9.1039  208.415   46.857  182.649   19.546 25.76689 50.77002 
1 1 1  -10   23   12 o   96.022   34.117   13.570   10.659  -2.0990   20.163   19.648   12.557   87.202   39.874  111.094   37.137 -23.89262 54.48935 
1 1 1  -10   23   13 f   92.686   38.274   9.8244   14.916   9.1490   23.203   10.300   19.472  101.728   44.918   98.948   42.434 2.779678 61.79197 
1 1 1  -10   23   14 o   51.663   23.679  -3.5450   7.1677 -41.6600   22.310   0.8418   7.5689   65.844   32.803   60.784   26.264 5.060017 42.02185 
1 1 1  -10   23   15 o   48.412   22.478  -4.5049   6.7659   1.4760   19.708  -5.3040   7.2037   87.893   39.891   49.090   22.927 38.80248 46.00958 
1 1 1  -10   23   16 o   56.284   24.826  -0.3834   7.0700   15.230   22.478  -2.0976   7.4480  104.251   45.153   54.675   24.696 49.57578 51.46549 
1 1 1  -10   23   17 o   49.242   22.635  -3.3291   6.6153   21.060   21.913  -5.7748   6.9391  109.333   45.865   47.027   22.134 62.30661 50.92635 
1 1 1  -10   23   18 o  222.830   16.388   68.434   9.3925   47.920   21.841   73.088   10.404  149.115   48.941  229.220   17.658 -80.10435 52.02905 
1 1 1  -10   23   19 o  185.690   24.345   51.430   11.428   35.980   23.764   56.078   13.034  124.083   49.357  191.148   27.081 -67.06554 56.29829 
1 1 1  -10   23   20 o  260.592   18.076   95.625   12.126   0.0000   0.0000   95.625   12.126  ?   ?   260.592   18.076 0.000000 18.07621 
1 1 1  -10   23   21 o  119.474   27.631   22.934   8.3808   6.6450   22.698   25.505   9.0181   88.638   41.161  125.511   28.401 -36.87297 50.00884 
1 1 1  -10   23   22 o   76.721   28.395   9.0062   7.4829   14.320   21.525   8.2757   7.9806   93.264   42.068   75.182   28.983 18.08257 51.08582 
1 1 1  -10   23   23 o   57.011   25.302   0.5099   7.4537   16.130   21.378  -1.6517   7.9528   93.464   42.063   54.991   25.105 38.47262 48.98540 
1 1 1  -10   23   24 o   68.354   27.168   6.3237   7.1949   14.660   21.456   5.2675   7.6371   90.578   41.307   66.552   27.425 24.02539 49.58173 
1 1 1  -10   23   25 o   66.022   29.196   3.1378   9.8393  -9.2800   21.113   6.5830   11.121   71.700   34.965   73.374   31.770 -1.673424 47.24258 
1 1 1  -10   23   26 o   60.098   27.395   0.1398   9.4241   10.060   20.794  -2.4248   10.572   82.985   38.820   59.436   27.764 23.54877 47.72680 
1 1 1  -10   23   27 o   85.789   31.097   13.946   8.9039   0.0000   0.0000   13.946   8.9039  ?   ?    85.789   31.097 0.000000 31.09697 
1 1 1  -10   23   28 o   90.774   30.944   16.198   8.7201   0.0000   0.0000   16.198   8.7201  ?   ?    90.774   30.944 0.000000 30.94424 
1 1 1  -10   23   29 o   42.676   20.801  -8.5991   7.4466   0.0000   0.0000  -8.5991   7.4466  ?   ?    42.676   20.801 0.000000 20.80095 
1 1 1  -10   23   30 o   55.008   25.148   0.8754   8.0144  -8.3270   23.630   2.0716   8.5194   66.557   33.252   57.753   26.218 8.803596 42.34447 
1 1 1  -10   23   31 o   57.834   25.800   3.3693   7.8532   43.170   21.187  -2.9695   8.4554   98.503   43.228   50.303   23.900 48.19999 49.39533 
1 1 1  -10   23   32 o   56.518   26.553   0.8056   9.9090   0.0000   0.0000   0.8056   9.9090  ?   ?    56.518   26.553 0.000000 26.55326 
1 1 1  -10   23   33 f   55.451   25.172   2.9060   7.8524   6.1677   11.674   0.2105   10.612   63.172   29.396   55.958   26.640 7.214359 39.67176 
1 1 1  -10   23   34 o   52.240   24.338   1.0344   8.0399   13.768   12.074  -9.1110   10.777   70.811   31.760   47.828   23.648 22.98336 39.59737 
1 1 1  -10   23   35 o   44.675   21.879  -6.2802   8.5295  -1.4079   12.765 -10.2106   11.465   54.734   26.797   47.461   23.623 7.272930 35.72323 
1 1 1  -10   23   36 o   48.887   24.657 -13.6353   14.629 -19.1900   22.642  -9.6550   19.166   53.424   27.302   54.040   27.368 -0.6159973 38.65776 
1 1 1  -10   23   37 o   73.238   34.368   30.682   16.515   20.000   24.338   39.800   22.485   61.473   31.099   70.020   34.534 -8.547283 46.47292 
1 1 1  -10   24    1 o  225.180   17.625   68.854   10.199   68.943   15.590   68.788   13.484  217.753   28.309  220.874   23.952 -3.120667 37.08211 
1 1 1  -10   24    2 o  145.002   26.713   30.610   9.6639   29.634   14.638   31.364   12.866  134.671   39.435  141.387   35.253 -6.716690 52.89533 
1 1 1  -10   24    3 o   76.483   30.288   6.1288   8.9125   8.6485   13.988   4.4070   11.563   90.774   37.227   79.011   33.240 11.76239 49.90718 
1 1 1  -10   24    4 o  149.792   24.868   32.224   9.3105   32.117   14.408   32.302   12.200  140.590   38.454  144.690   33.249 -4.100067 50.83494 
1 1 1  -10   24    5 o  170.368   23.268   41.091   9.9996   45.138   15.447   38.172   13.120  169.079   36.351  157.510   33.202 11.56978 49.23190 
1 1 1  -10   24    6 o   92.086   32.147   12.253   9.4319   23.664   15.008   4.8035   12.126  119.951   40.597   80.549   33.971 39.40208 52.93531 
1 1 1  -10   24    7 o  235.758   17.499   75.686   10.610   69.278   16.390   80.308   13.921  215.635   30.170  238.954   22.765 -23.31856 37.79559 
1 1 1  -10   24    8 o  143.247   27.188   30.316   9.7193   38.127   15.658   25.420   12.397  151.260   39.525  125.374   36.171 25.88647 53.57755 
1 1 1  -10   24    9 o  127.194   29.943   24.741   9.7019   3.4370   15.086   39.765   12.669   83.655   36.601  161.028   31.502 -77.37270 48.29037 
1 1 1  -10   24   10 o   83.500   32.278   8.8948   9.9197 -12.1800   21.979   14.286   11.116   81.172   38.556   97.154   34.807 -15.98166 51.94332 
1 1 1  -10   24   11 f  115.772   35.368   21.912   11.583   29.990   24.075   19.479   13.213  125.208   49.719  108.922   38.047 16.28574 62.60607 
1 1 1  -10   24   12 o   68.355   28.042   4.1154   7.9402   22.420   21.597   1.2546   8.5381  113.767   46.410   64.264   27.831 49.50305 54.11537 
1 1 1  -10   24   13 o   59.895   25.610   1.4834   7.0550 -22.0000   22.400   4.0693   7.4333   74.304   36.186   66.703   27.221 7.600571 45.28155 
1 1 1  -10   24   14 o  225.653   16.066   69.723   9.3295   50.770   25.049   72.775   10.053  150.369   52.394  229.818   17.008 -79.44852 55.08506 
1 1 1  -10   24   15 o  135.404   22.753   26.890   7.6974   42.360   20.418   24.327   8.3106  142.507   47.346  126.261   26.266 16.24584 54.14338 
1 1 1  -10   24   16 o   78.483   27.631   9.1322   6.9760   16.910   21.657   8.2318   7.3687  101.504   44.142   76.199   28.182 25.30534 52.37146 
1 1 1  -10   24   17 o   83.673   28.441   10.929   7.3661  -9.3470   21.953   13.501   7.8194   78.078   37.479   91.503   29.224 -13.42476 47.52563 
1 1 1  -10   24   18 o  115.302   28.700   21.612   8.5379   0.0000   0.0000   21.612   8.5379  ?   ?   115.302   28.700 0.000000 28.69962 
1 1 1  -10   24   19 o  110.761   29.975   20.616   8.8094   12.260   21.051   22.390   9.6996   91.929   41.522  113.937   31.705 -22.00791 52.24221 
1 1 1  -10   24   20 o  126.717   25.545   25.315   8.0952  -2.6680   19.100   31.442   8.9377   76.108   36.090  141.863   25.248 -65.75526 44.04488 
1 1 1  -10   24   21 o  189.097   18.078   51.387   8.7469   48.870   20.037   51.979   9.7222  141.372   46.899  187.840   20.305 -46.46854 51.10534 
1 1 1  -10   24   22 o  178.052   18.585   46.077   8.4451   24.790   20.184   50.594   9.2982  101.018   43.258  185.473   19.653 -84.45520 47.51338 
1 1 1  -10   24   23 o   87.066   29.009   13.219   7.6632  -8.1280   19.531   17.103   8.3313   70.315   34.140   97.895   30.010 -27.57986 45.45452 
1 1 1  -10   24   24 o   70.921   30.284   6.5600   9.8418   14.320   18.784   3.6237   11.555   86.169   39.043   68.685   30.917 17.48393 49.80190 
1 1 1  -10   24   25 o   54.514   25.444  -2.6103   8.8518  -9.2740   17.060  -0.1554   10.355   64.401   31.411   60.986   28.137 3.415394 42.17020 
1 1 1  -10   24   26 o   74.806   29.779   9.8466   8.6571   0.0000   0.0000   9.8466   8.6571  ?   ?    74.806   29.779 0.000000 29.77929 
1 1 1  -10   24   27 o  131.917   26.187   30.068   8.6325   0.0000   0.0000   30.068   8.6325  ?   ?   131.917   26.187 0.000000 26.18684 
1 1 1  -10   24   28 o   67.612   28.672   7.5602   8.7140   0.0000   0.0000   7.5602   8.7140  ?   ?    67.612   28.672 0.000000 28.67168 
1 1 1  -10   24   29 o   47.158   22.586  -4.6268   7.8743   2.1680   22.409  -5.5839   8.4106   68.944   34.091   47.585   22.932 21.35938 41.08636 
1 1 1  -10   24   30 f   49.451   23.224  -1.5311   7.5683 -18.9700   20.197   1.3178   8.1632   57.444   28.972   54.559   25.103 2.885204 38.33454 
1 1 1  -10   24   31 o   62.128   27.083   6.5659   8.1932   0.0000   0.0000   6.5659   8.1932  ?   ?    62.128   27.083 0.000000 27.08273 
1 1 1  -10   24   32 o   61.003   27.040   6.4078   8.4875  -7.6680   24.473   8.3323   9.0491   61.228   30.999   64.355   28.246 -3.126911 41.93816 
1 1 1  -10   24   33 o   53.285   24.165   2.9988   7.2137   6.6970   21.764   2.5423   7.6459   63.601   31.796   53.176   24.403 10.42536 40.08089 
1 1 1  -10   24   34 o   68.232   29.862   12.926   10.049 -28.6100   22.172   23.665   11.274   51.810   26.520   84.542   33.872 -32.73201 43.01926 
1 1 1  -10   24   35 o   67.579   31.729   18.062   14.108   38.690   24.676   8.0440   17.197   69.809   34.733   59.503   29.501 10.30579 45.57068 
1 1 1  -10   24   36 f   43.533   21.272  -3.6018   7.9287   9.4582   10.679 -19.6433   11.836   58.693   27.572   41.183   20.925 17.50932 34.61292 
1 1 1  -10   25    1 o  127.497   29.298   24.787   9.4727   43.334   14.486   10.929   12.521  164.951   34.987   91.241   35.974 73.71005 50.18149 
1 1 1  -10   25    2 o   81.332   30.540   8.7096   8.7177   8.7469   13.411   8.6823   11.472   88.414   36.377   85.406   34.187 3.008064 49.92015 
1 1 1  -10   25    3 o  197.620   19.295   54.172   9.7511   51.040   15.222   56.352   12.699  180.255   33.844  196.950   25.490 -16.69490 42.36910 
1 1 1  -10   25    4 o  102.916   31.685   16.528   9.2757   2.3957   14.056   27.429   12.345   79.750   35.099  129.486   35.669 -49.73624 50.04240 
1 1 1  -10   25    5 o  160.723   23.604   37.242   9.5342   23.196   14.035   49.279   12.992  116.979   39.261  181.221   28.628 -64.24222 48.58993 
1 1 1  -10   25    6 o  208.433   19.056   60.310   10.175   38.603   15.609   76.347   13.416  150.023   39.591  231.600   22.654 -81.57669 45.61403 
1 1 1  -10   25    7 o  125.698   29.524   24.455   9.4494   19.670   14.687   27.834   12.344  108.524   39.846  129.646   35.647 -21.12167 53.46473 
1 1 1  -10   25    8 o   52.162   24.592  -7.0910   8.6311 -14.3850   14.192  -2.8097   10.873   62.139   29.906   64.658   29.455 -2.519390 41.97579 
1 1 1  -10   25    9 o  113.349   38.718   22.255   13.652   17.430   24.261   24.490   16.514  107.185   46.667  116.309   42.321 -9.123787 62.99911 
1 1 1  -10   25   10 o   83.879   36.056   6.5178   14.118 -18.5300   21.320   26.080   18.841   73.854   35.814  117.197   44.691 -43.34361 57.27074 
1 1 1  -10   25   11 f  168.755   18.242   39.847   7.8472   27.530   24.985   41.195   8.2654  116.355   48.901  171.109   18.968 -54.75367 52.45065 
1 1 1  -10   25   12 o  100.580   28.134   15.970   7.6170   4.1470   22.740   17.465   8.0840   90.652   41.779  104.749   28.867 -14.09686 50.78238 
1 1 1  -10   25   13 o   88.581   28.151   12.350   7.2626   11.910   21.794   12.404   7.7029   95.926   42.873   88.576   29.064 7.350182 51.79558 
1 1 1  -10   25   14 o  111.766   27.281   19.773   7.8290   3.0900   22.073   22.174   8.3733   87.102   40.496  118.129   27.823 -31.02651 49.13296 
1 1 1  -10   25   15 o   78.504   27.608   9.4305   6.9629  -4.8760   19.039   11.639   7.4812   76.195   36.103   85.340   28.664 -9.145142 46.09806 
1 1 1  -10   25   16 o   49.107   23.110  -5.2974   7.5603   0.0000   0.0000  -5.2974   7.5603  ?   ?    49.107   23.110 0.000000 23.11013 
1 1 1  -10   25   17 o   57.887   26.059  -0.4525   8.2115   0.0000   0.0000  -0.4525   8.2115  ?   ?    57.887   26.059 0.000000 26.05875 
1 1 1  -10   25   18 o   78.440   28.007   9.8416   7.1912  -5.9180   22.605   11.616   7.5853   77.289   37.334   83.667   28.850 -6.378273 47.18188 
1 1 1  -10   25   19 o   62.026   26.649   3.0468   7.7057   18.330   21.649   0.8297   8.2458   94.048   42.327   59.359   26.462 34.68946 49.91786 
1 1 1  -10   25   20 o   95.505   29.358   15.988   7.9670   5.7170   20.239   17.872   8.6668   81.133   38.063   99.845   30.608 -18.71202 48.84357 
1 1 1  -10   25   21 o   87.680   28.817   13.484   7.5711   22.590   18.915   11.747   8.2619   96.429   41.593   82.012   29.920 14.41618 51.23669 
1 1 1  -10   25   22 o   48.352   21.729  -0.4737   5.6802  -2.3700   17.279  -0.2440   6.0145   70.106   33.546   49.963   22.412 20.14373 40.34364 
1 1 1  -10   25   23 o   86.192   30.937   14.091   8.7859   20.580   18.532   12.210   9.9785   90.655   40.080   80.872   32.042 9.783180 51.31367 
1 1 1  -10   25   24 o   62.993   28.011   3.4339   9.1793   2.0010   19.392   3.8477   10.421   72.804   35.019   65.475   29.426 7.329155 45.74096 
1 1 1  -10   25   25 o   59.798   26.377   3.2050   7.9816 -27.5800   22.597   7.5934   8.5315   60.842   30.681   68.808   28.723 -7.966312 42.02774 
1 1 1  -10   25   26 o   72.216   29.469   9.7549   8.7111   0.0000   0.0000   9.7549   8.7111  ?   ?    72.216   29.469 0.000000 29.46895 
1 1 1  -10   25   27 o   61.492   27.229   4.7578   8.5852   0.0000   0.0000   4.7578   8.5852  ?   ?    61.492   27.229 0.000000 27.22864 
1 1 1  -10   25   28 o   48.829   23.299  -3.4117   8.2124 -37.9200   23.283   1.4916   8.7765   55.104   28.122   55.940   25.842 -0.8355980 38.19234 
1 1 1  -10   25   29 o   47.791   22.763  -2.8390   7.7663  -8.7870   19.299  -1.6897   8.4835   59.398   29.731   50.695   24.043 8.702782 38.23621 
1 1 1  -10   25   30 o   48.254   23.230  -3.5386   8.5750   0.0000   0.0000  -3.5386   8.5750  ?   ?    48.254   23.230 0.000000 23.22968 
1 1 1  -10   25   31 o   55.619   26.094   2.5640   9.5128   19.250   23.859  -0.5899   10.373   68.829   34.230   53.383   25.661 15.44602 42.78037 
1 1 1  -10   25   32 o   53.946   24.454   3.7124   7.3786   25.350   23.621   1.3728   7.7673   69.212   34.359   51.033   23.825 18.17894 41.81126 
1 1 1  -10   25   33 o   49.151   23.287   0.4177   7.9195 -11.8600   16.952   3.8454   8.9570   51.617   26.094   54.462   25.478 -2.845287 36.46944 
1 1 1  -10   25   34 o   51.779   24.914   1.9521   9.8338  -8.2720   24.163   3.9816   10.766   54.555   27.907   54.253   26.095 0.3026924 38.20640 
1 1 1  -10   25   35 o   62.133   28.528   13.282   10.468 -23.5800   22.455   23.518   11.832   48.942   25.154   73.144   32.197 -24.20183 40.85786 
1 1 1  -10   26    1 o   49.242   23.689 -10.4230   8.8821   10.036   13.731 -25.1429   11.647   88.848   36.709   47.462   23.654 41.38661 43.66953 
1 1 1  -10   26    2 o   48.276   23.230 -10.1727   8.5524 -18.6363   13.647  -4.6993   10.975   57.181   27.934   62.169   28.782 -4.987476 40.10904 
1 1 1  -10   26    3 o  112.405   29.815   20.052   8.8236   11.728   13.352   26.505   11.757   91.171   36.745  125.499   34.899 -34.32780 50.67650 
1 1 1  -10   26    4 o  166.167   23.631   40.438   9.8846   21.442   14.452   57.137   13.550  109.990   39.656  193.924   27.766 -83.93420 48.41059 
1 1 1  -10   26    5 o   92.236   31.988   13.438   9.3317   7.0758   13.747   18.877   12.709   83.620   35.751  104.919   37.256 -21.29902 51.63470 
1 1 1  -10   26    6 o  153.405   29.675   36.976   11.365   37.180   20.995   36.891   13.517  132.091   47.771  147.168   35.802 -15.07687 59.69760 
1 1 1  -10   26    7 o  105.478   40.109   19.898   15.149   38.280   24.311   8.2310   19.369  128.824   50.326   91.055   40.576 37.76856 64.64647 
1 1 1  -10   26    8 o  122.873   34.205   25.821   11.287   24.472   14.828   27.680   17.405  114.105   40.272  117.864   43.362 -3.758400 59.17874 
1 1 1  -10   26    9 o  111.337   31.712   20.708   9.5872   24.624   15.080   18.051   12.420  113.406   40.550  101.366   36.730 12.04068 54.71208 
1 1 1  -10   26   10 o   98.432   31.240   16.161   8.9462   26.665   14.202   9.2524   11.519  118.075   39.495   82.547   33.809 35.52837 51.98920 
1 1 1  -10   26   11 o   70.989   30.925   3.5503   10.668  -9.2220   22.414   7.2906   12.129   77.972   37.541   79.373   33.749 -1.400352 50.48123 
1 1 1  -10   26   12 o   85.327   28.587   11.735   7.4408   14.410   21.303   11.364   7.9409   94.853   42.391   84.118   29.489 10.73524 51.63881 
1 1 1  -10   26   13 o   70.601   27.850   6.6158   7.5077   19.080   21.993   4.9717   7.9875   98.636   43.633   67.606   27.970 31.02982 51.82836 
1 1 1  -10   26   14 o   57.930   26.413  -1.4011   8.7680   0.0000   0.0000  -1.4011   8.7680  ?   ?    57.930   26.413 0.000000 26.41319 
1 1 1  -10   26   15 o  104.537   29.937   18.868   8.5205 -30.1100   21.981   27.528   9.2432   64.449   32.180  128.864   28.452 -64.41573 42.95366 
1 1 1  -10   26   16 o   98.484   28.957   16.689   7.8780   27.400   19.663   14.641   8.5982  105.106   43.717   91.033   30.729 14.07312 53.43664 
1 1 1  -10   26   17 o   70.326   27.689   7.1868   7.4086 -39.4500   22.193   13.036   7.8595   60.319   30.416   86.543   29.378 -26.22465 42.28702 
1 1 1  -10   26   18 o   68.024   26.878   6.6156   7.0037   34.020   22.812   3.7635   7.3591  106.657   45.839   61.982   26.320 44.67508 52.85786 
1 1 1  -10   26   19 o   49.819   23.182  -2.9472   7.2580   22.150   21.350  -6.2269   7.7177   93.496   42.060   47.212   22.543 46.28448 47.72053 
1 1 1  -10   26   20 o   79.198   28.588   11.021   7.5139   10.760   20.106   11.063   8.1008   81.798   38.236   79.047   29.487 2.750916 48.28516 
1 1 1  -10   26   21 o   54.890   24.571   0.8483   7.1891   2.2410   20.296   0.6485   7.6875   74.380   35.789   55.824   25.164 18.55630 43.75061 
1 1 1  -10   26   22 o   61.498   28.022   1.8259   9.8484  -0.0312   20.426   2.3883   11.241   71.764   34.859   64.411   29.570 7.353455 45.71144 
1 1 1  -10   26   23 o   96.943   32.622   19.922   9.6898   0.8148   20.924   25.138   10.933   71.140   34.717  106.627   34.608 -35.48779 49.02024 
1 1 1  -10   26   24 o   67.005   27.960   7.4294   8.0796   14.790   22.771   6.3693   8.6419   77.892   37.587   65.321   28.145 12.57124 46.95662 
1 1 1  -10   26   25 o   56.127   25.816   1.2242   8.6245   0.0000   0.0000   1.2242   8.6245  ?   ?    56.127   25.816 0.000000 25.81630 
1 1 1  -10   26   26 o   48.590   23.276  -3.9519   8.3697   0.0000   0.0000  -3.9519   8.3697  ?   ?    48.590   23.276 0.000000 23.27553 
1 1 1  -10   26   27 o   65.629   27.623   8.3750   7.9913 -16.6500   23.588   11.620   8.4936   59.614   30.210   72.278   29.245 -12.66355 42.04615 
1 1 1  -10   26   28 o   81.632   29.816   15.783   8.2079   2.1790   20.132   18.496   8.9890   63.036   31.364   86.166   31.243 -23.12997 44.27038 
1 1 1  -10   26   29 o   72.116   31.182   14.483   10.683   0.0000   0.0000   14.483   10.683  ?   ?    72.116   31.182 0.000000 31.18167 
1 1 1  -10   26   30 o   75.361   31.235   16.551   9.9866   24.240   23.209   14.803   11.063   68.972   34.209   70.523   31.084 -1.551300 46.22207 
1 1 1  -10   26   31 o   51.766   24.264   2.1168   8.1931   19.420   23.222  -0.3434   8.7562   64.897   32.503   49.708   23.810 15.18883 40.29054 
1 1 1  -10   26   32 o   59.791   26.143   8.2892   7.6865 -14.1200   18.858   12.754   8.4175   51.200   26.053   67.522   28.381 -16.32163 38.52593 
1 1 1  -10   26   33 o   51.437   25.135   1.6486   11.075   18.020   23.482  -3.0344   12.559   59.508   30.154   49.528   24.664 9.979416 38.95668 
1 1 1  -10   26   34 o   43.719   21.943  -8.1108   10.860   8.4020   24.126 -12.3073   12.162   54.474   27.867   43.352   21.938 11.12142 35.46613 
1 1 1  -10   27    1 o  147.271   29.758   34.949   10.961   13.960   21.757   42.088   12.689   96.496   43.003  159.838   31.768 -63.34135 53.46436 
1 1 1  -10   27    2 f  121.394   31.749   24.771   10.097   27.910   19.127   23.558   11.888  114.391   44.653  114.251   35.986 0.1399841 57.34841 
1 1 1  -10   27    3 o  121.595   39.149   28.276   14.011   30.420   21.050   26.570   18.775  116.274   46.389  112.234   44.114 4.040176 64.01582 
1 1 1  -10   27    4 o   90.117   36.444   12.997   13.183   10.030   18.270   16.220   19.041   89.432   39.655   97.208   41.831 -7.775467 57.63935 
1 1 1  -10   27    5 o   93.492   34.471   15.005   11.008   11.680   14.183   20.040   17.457   88.207   36.946  101.882   41.662 -13.67475 55.68382 
1 1 1  -10   27    6 o  104.647   31.552   18.747   9.2626   29.300   14.016   10.564   12.342  122.706   39.119   84.676   34.874 38.03000 52.40754 
1 1 1  -10   27    7 o   77.414   30.063   8.7477   8.6357   5.8614   13.261   10.873   11.379   77.977   34.211   84.194   33.925 -6.216736 48.17984 
1 1 1  -10   27    8 o   82.516   30.700   10.894   8.7697   29.344   13.309  -3.2656   11.659  123.203   37.956   63.285   29.425 59.91817 48.02621 
1 1 1  -10   27    9 o  103.828   29.929   18.350   8.4908   7.0441   13.165   26.401   11.110   78.709   34.320  120.784   34.046 -42.07546 48.34275 
1 1 1  -10   27   10 o   76.472   30.334   8.6227   8.9528   11.117   12.933   6.3274   12.406   84.222   35.278   76.289   33.289 7.932945 48.50447 
1 1 1  -10   27   11 o  123.412   35.933   29.131   12.184   0.0000   0.0000   29.131   12.184  ?   ?   123.412   35.933 0.000000 35.93273 
1 1 1  -10   27   12 o   98.288   29.128   16.664   7.9448   0.0000   0.0000   16.664   7.9448  ?   ?    98.288   29.128 0.000000 29.12820 
1 1 1  -10   27   13 o   56.458   25.506  -0.2951   7.9482 -20.7000   20.549   3.2945   8.6191   65.408   32.397   64.120   27.866 1.288864 42.73254 
1 1 1  -10   27   14 o   73.190   28.443   8.3215   7.7341  -3.8130   22.287   9.9829   8.2466   75.678   36.680   77.619   29.574 -1.940628 47.11733 
1 1 1  -10   27   15 o   58.604   25.826   1.7941   7.6337   1.3510   21.846   1.8558   8.1473   77.648   37.303   59.933   26.533 17.71502 45.77629 
1 1 1  -10   27   16 o  103.059   28.683   18.805   7.9379   6.0140   19.981   21.203   8.6498   78.774   37.223  108.377   29.858 -29.60305 47.71836 
1 1 1  -10   27   17 f  198.912   17.452   57.735   8.9010   62.360   21.883   56.818   9.7434  145.561   49.023  194.537   19.603 -48.97662 52.79701 
1 1 1  -10   27   18 o   60.210   25.895   3.5613   7.2893   22.260   20.178   0.7548   7.8172   90.738   40.848   56.331   25.386 34.40656 48.09340 
1 1 1  -10   27   19 o   79.133   28.542   11.455   7.4875 -14.6700   19.880   15.774   8.0827   63.764   31.632   90.932   29.769 -27.16855 43.43674 
1 1 1  -10   27   20 o   94.670   27.548   16.403   7.1630  -1.1530   20.551   18.830   7.6423   70.321   34.337  101.091   28.147 -30.77034 44.39889 
1 1 1  -10   27   21 o  113.731   32.674   26.857   10.135   16.940   21.187   29.800   11.541   80.582   38.153  115.202   35.322 -34.62020 51.99361 
1 1 1  -10   27   22 o   77.240   30.742   12.469   9.2238 -39.9800   20.811   25.290   10.290   53.506   27.240  106.748   33.456 -53.24141 43.14287 
1 1 1  -10   27   23 o   65.939   27.545   7.6247   7.8543  -0.4486   22.124   8.7888   8.4015   67.218   33.349   68.475   28.537 -1.257568 43.89233 
1 1 1  -10   27   24 o   79.584   30.150   14.279   8.5402   0.0000   0.0000   14.279   8.5402  ?   ?    79.584   30.150 0.000000 30.15042 
1 1 1  -10   27   25 o   48.127   22.820  -2.1387   7.6337   0.0000   0.0000  -2.1387   7.6337  ?   ?    48.127   22.820 0.000000 22.82014 
1 1 1  -10   27   26 o   51.182   24.098  -0.1040   8.2383   1.1140   23.845  -0.2691   8.7789   63.369   31.899   51.916   24.575 11.45329 40.26753 
1 1 1  -10   27   27 o   51.364   24.271   0.2934   8.4956 -38.2300   21.509   7.4143   9.2476   50.235   25.744   61.504   27.674 -11.26919 37.79654 
1 1 1  -10   27   28 o   85.376   33.877   23.682   11.170   0.0000   0.0000   23.682   11.170  ?   ?    85.376   33.877 0.000000 33.87656 
1 1 1  -10   27   29 o   63.882   28.070   10.315   8.9579   7.4060   22.435   10.867   9.7706   60.596   30.559   64.155   28.687 -3.558846 41.91405 
1 1 1  -10   27   30 o   74.068   29.686   16.079   8.6619  -8.4450   23.591   19.901   9.3124   54.939   28.060   80.330   31.212 -25.39112 41.97110 
1 1 1  -10   27   31 o   40.554   20.202  -8.8040   8.4525  -9.6840   21.340  -8.6402   9.2054   52.302   26.711   42.116   20.996 10.18619 33.97536 
1 1 1  -10   27   32 o   47.947   23.737  -1.6400   10.985  -6.8160   20.547   0.4319   13.000   51.032   26.074   50.533   25.153 0.4982796 36.22909 
1 1 1  -10   27   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   28    1 o  102.798   30.694   18.448   8.7974   25.362   12.560   11.788   12.326  113.374   37.108   84.790   34.879 28.58385 50.92712 
1 1 1  -10   28    2 o  243.357   15.998   83.080   10.028   82.653   15.122   83.415   13.398  229.192   25.927  235.754   22.201 -6.561661 34.13397 
1 1 1  -10   28    3 o  151.855   24.638   35.951   9.3592   43.539   13.999   29.819   12.585  153.247   35.896  124.056   36.634 29.19151 51.28942 
1 1 1  -10   28    4 o  142.585   25.903   32.372   9.2148   35.068   14.503   30.547   11.933  130.470   39.512  127.751   35.018 2.718613 52.79681 
1 1 1  -10   28    5 o   90.970   31.018   14.609   8.7616  -3.9950   12.835   30.843   11.990   63.906   30.086  127.965   35.111 -64.05896 46.23783 
1 1 1  -10   28    6 o   85.408   30.942   12.674   8.8138   18.101   14.109   9.2005   11.287   94.701   37.911   78.638   32.949 16.06280 50.22832 
1 1 1  -10   28    7 o   82.476   32.534   11.617   10.246   7.7500   18.661   13.285   12.258   82.146   37.855   86.030   35.015 -3.883385 51.56573 
1 1 1  -10   28    8 f  178.159   28.926   53.244   12.891   41.200   19.179   63.170   17.411  125.752   45.631  178.696   38.732 -52.94453 59.85291 
1 1 1  -10   28    9 o  223.391   24.377   78.581   13.877   95.280   20.625   64.770   18.757  223.064   36.992  173.793   42.108 49.27130 56.04928 
1 1 1  -10   28   10 o   61.812   28.076   0.6703   9.7871 -11.0475   12.982   16.100   14.897   57.081   27.742   88.889   37.579 -31.80719 46.70988 
1 1 1  -10   28   11 o   56.907   25.734   0.1442   8.1151  -0.6487   12.895   0.6642   10.442   65.695   30.679   62.834   28.717 2.861252 42.02241 
1 1 1  -10   28   12 o   48.198   23.082  -6.6692   8.2202  -6.9800   15.585  -6.5494   9.6756   64.179   31.001   52.531   25.127 11.64751 39.90504 
1 1 1  -10   28   13 o   96.701   28.536   16.786   7.6383   14.810   20.005   17.124   8.2645   84.944   39.162   96.112   29.960 -11.16855 49.30781 
1 1 1  -10   28   14 o   48.445   22.838  -4.0331   7.4421  -3.3220   20.782  -4.1377   7.9707   71.576   34.857   49.948   23.574 21.62847 42.08006 
1 1 1  -10   28   15 o   86.155   29.008   13.802   7.6620   15.200   19.819   13.556   8.3079   83.333   38.615   84.440   30.108 -1.106163 48.96541 
1 1 1  -10   28   16 o   47.294   22.285  -3.6659   7.0716   10.440   15.000  -7.6971   8.0186   76.907   34.864   45.741   22.129 31.16637 41.29403 
1 1 1  -10   28   17 o  132.739   22.098   28.282   7.3309   4.2990   18.283   32.877   8.0024   72.043   34.481  142.944   22.344 -70.90106 41.08765 
1 1 1  -10   28   18 o   83.515   28.655   13.504   7.4787   1.5070   19.482   15.578   8.0992   69.883   33.968   88.315   29.824 -18.43214 45.20273 
1 1 1  -10   28   19 o  103.672   32.663   23.299   9.7936   29.160   20.765   21.622   11.106   89.021   40.612   94.809   34.675 -5.788330 53.40131 
1 1 1  -10   28   20 o   45.213   22.246 -10.5572   9.1487   7.6840   19.850 -15.4769   10.309   71.134   34.509   44.782   22.308 26.35168 41.09194 
1 1 1  -10   28   21 o   42.606   20.673  -6.5325   7.1308   8.6640   20.307  -8.6699   7.6158   70.137   34.222   42.064   20.616 28.07349 39.95217 
1 1 1  -10   28   22 o  126.815   26.368   30.107   8.3790 -13.9000   22.294   37.346   9.0419   59.943   30.258  143.469   25.253 -83.52609 39.41164 
1 1 1  -10   28   23 o   80.937   30.528   15.932   8.7314   0.0000   0.0000   15.932   8.7314  ?   ?    80.937   30.528 0.000000 30.52848 
1 1 1  -10   28   24 o   78.310   30.829   16.005   9.1828   0.0000   0.0000   16.005   9.1828  ?   ?    78.310   30.829 0.000000 30.82901 
1 1 1  -10   28   25 o   48.150   23.327  -3.3239   8.9879   0.0000   0.0000  -3.3239   8.9879  ?   ?    48.150   23.327 0.000000 23.32667 
1 1 1  -10   28   26 o   52.790   25.082   1.5783   9.3157   0.0000   0.0000   1.5783   9.3157  ?   ?    52.790   25.082 0.000000 25.08248 
1 1 1  -10   28   27 o   43.556   21.503  -7.0571   8.7955 -23.0200   16.893  -1.1203   10.302   47.723   24.319   50.610   24.623 -2.887341 34.60804 
1 1 1  -10   28   28 o   51.093   24.285   2.0524   8.7464 -38.5300   21.448   10.148   9.5791   47.354   24.336   61.444   27.857 -14.09051 36.99033 
1 1 1  -10   28   29 o   39.621   19.748  -9.0841   8.1224   3.8810   22.680 -10.9915   8.6994   55.912   28.463   39.633   19.856 16.27921 34.70414 
1 1 1  -10   28   30 o   47.886   23.171   0.8225   8.8021   51.980   23.421  -7.5915   9.4984   69.054   34.270   42.445   21.187 26.60973 40.28979 
1 1 1  -10   28   31 f   54.918   26.300   9.3416   10.671 -10.6800   18.570   19.212   13.039   47.824   24.464   61.692   29.414 -13.86834 38.25793 
1 1 1  -10   29    1 o   65.270   28.970   3.2219   9.7749 -17.1800   17.054   13.204   11.929   60.660   29.947   83.973   34.400 -23.31268 45.60931 
1 1 1  -10   29    2 f  110.414   35.674   25.091   11.627   27.430   17.264   23.150   15.728  103.406   41.745   98.558   39.825 4.848274 57.69422 
1 1 1  -10   29    3 o   77.525   33.015   9.6604   11.639   3.8140   18.027   13.840   15.242   75.807   35.679   84.795   36.952 -8.987656 51.36558 
1 1 1  -10   29    4 o   69.806   31.029   4.9797   11.254 -23.4500   17.202   26.250   14.879   57.522   28.680  104.727   39.768 -47.20515 49.03114 
1 1 1  -10   29    5 o  145.996   29.356   37.216   10.717   32.020   14.210   44.070   16.320  117.982   39.505  136.583   42.024 -18.60147 57.67719 
1 1 1  -10   29    6 o   95.985   32.698   18.164   9.7365   15.390   12.419   22.590   15.685   86.728   35.265   96.276   39.444 -9.547760 52.90998 
1 1 1  -10   29    7 o  118.778   29.782   25.483   9.1463   27.754   13.382   23.492   12.530  109.870   38.294  102.531   36.931 7.339729 53.20069 
1 1 1  -10   29    8 o  123.073   28.685   26.790   8.9755   18.676   13.847   32.670   11.787   90.632   37.088  127.338   34.761 -36.70602 50.83165 
1 1 1  -10   29    9 o   82.491   30.345   12.792   8.5232   10.552   12.574   14.697   11.593   77.561   33.683   84.603   34.189 -7.042236 47.99364 
1 1 1  -10   29   10 o   55.088   25.488  -1.2194   8.5858  -6.7772   12.802   3.3240   11.575   58.415   28.187   66.479   30.325 -8.063412 41.40219 
1 1 1  -10   29   11 o   67.808   27.848   7.0327   7.8419   11.580   12.178   3.8112   10.250   78.076   33.522   64.969   29.193 13.10789 44.45175 
1 1 1  -10   29   12 o   56.864   26.478  -1.0589   9.4956 -28.7500   17.146   11.190   11.404   53.491   26.943   76.811   32.694 -23.32013 42.36514 
1 1 1  -10   29   13 o  115.823   25.446   23.053   7.4258   34.850   21.648   21.480   7.9055   97.712   43.253  108.487   27.957 -10.77499 51.50205 
1 1 1  -10   29   14 o   60.034   25.906   4.1421   7.3449  -7.5930   20.326   5.9045   7.8771   65.783   32.517   64.273   27.258 1.509865 42.43057 
1 1 1  -10   29   15 o  110.886   28.204   22.991   8.1198   17.040   19.160   24.293   8.9646   80.089   37.399  110.900   30.332 -30.81077 48.15331 
1 1 1  -10   29   16 o   63.172   26.556   6.0957   7.3712   1.1890   17.063   7.2215   8.1732   66.441   32.176   66.098   27.884 0.3430328 42.57745 
1 1 1  -10   29   17 f   58.430   26.394   3.0233   8.5087   2.5560   17.642   3.1650   9.7131   66.708   32.402   60.295   27.609 6.413261 42.56894 
1 1 1  -10   29   18 o   51.517   24.743  -3.8314   9.6003   17.280   19.178 -10.8912   11.090   75.754   35.992   48.917   24.149 26.83725 43.34314 
1 1 1  -10   29   19 o   91.545   33.134   21.169   10.103   39.900   21.137   15.623   11.502   90.218   41.087   77.032   32.812 13.18672 52.58107 
1 1 1  -10   29   20 o   59.070   26.130   5.2309   7.8868 -26.2800   20.675   10.597   8.5320   53.989   27.453   69.343   28.816 -15.35442 39.80022 
1 1 1  -10   29   21 o   72.716   28.503   12.222   7.8183 -45.0300   21.474   20.971   8.3945   49.435   25.360   94.971   30.274 -45.53586 39.49267 
1 1 1  -10   29   22 o   74.083   29.872   14.237   8.8290   0.0000   0.0000   14.237   8.8290  ?   ?    74.083   29.872 0.000000 29.87199 
1 1 1  -10   29   23 o   82.721   31.570   19.485   9.4068   0.0000   0.0000   19.485   9.4068  ?   ?    82.721   31.570 0.000000 31.57020 
1 1 1  -10   29   24 o   62.116   27.967   9.4572   9.4621   0.0000   0.0000   9.4572   9.4621  ?   ?    62.116   27.967 0.000000 27.96686 
1 1 1  -10   29   25 f  102.923   35.571   34.855   11.535   0.0000   0.0000   34.855   11.535  ?   ?   102.923   35.571 0.000000 35.57150 
1 1 1  -10   29   26 f   42.546   20.997  -6.1500   8.3597   20.430   17.857 -13.6102   9.4604   63.992   31.405   39.994   20.128 23.99800 37.30117 
1 1 1  -10   29   27 o   55.207   25.427   6.6932   8.4048   25.670   20.570   2.8900   9.2086   62.879   31.353   51.017   24.432 11.86222 39.74825 
1 1 1  -10   29   28 o   56.562   25.984   8.6616   8.7005  -9.1700   22.420   11.823   9.4403   50.870   26.084   60.299   27.460 -9.429321 37.87362 
1 1 1  -10   29   29 o   56.667   26.128   10.036   8.9091 -26.6800   23.245   16.358   9.6457   46.741   24.086   64.532   28.704 -17.79143 37.47082 
1 1 1  -10   29   30 o   45.545   22.594  -0.3420   10.142   14.510   20.603  -5.0925   11.652   52.606   26.812   44.102   22.213 8.503872 34.81809 
1 1 1  -10   30    1 o   59.550   26.629   2.2677   8.4199   13.526   11.818  -9.3402   12.000   81.221   33.846   54.510   26.533 26.71095 43.00680 
1 1 1  -10   30    2 o   51.243   24.085  -3.1343   8.1656   6.2281   12.585  -9.9422   10.731   70.610   31.979   51.176   24.950 19.43393 40.56031 
1 1 1  -10   30    3 o   47.084   22.687  -6.9542   8.2232 -17.6172   12.298   1.6693   11.059   49.590   24.648   63.126   29.108 -13.53667 38.14176 
1 1 1  -10   30    4 o   37.708   18.902 -17.4862   7.9331 -18.5444   12.551 -16.7822   10.238   49.552   24.673   45.010   22.391 4.541283 33.31784 
1 1 1  -10   30    5 o   52.511   24.407  -1.6632   8.0103  -2.8576   12.018  -0.7085   10.745   59.634   28.379   59.590   27.886 0.4322052E-01 39.78688 
1 1 1  -10   30    6 o   93.976   30.269   17.394   8.3751   6.7882   12.300   26.560   11.435   70.338   31.757  108.952   35.395 -38.61430 47.55371 
1 1 1  -10   30    7 o   64.041   27.128   5.6816   7.7878   7.9958   11.777   3.8834   10.381   71.288   31.713   64.308   29.092 6.979843 43.03566 
1 1 1  -10   30    8 o   89.076   29.750   15.704   8.0583   9.8659   11.154   22.077   11.655   73.453   31.811   96.361   35.478 -22.90762 47.65129 
1 1 1  -10   30    9 o   57.931   25.709   2.7668   7.6949  -4.4600   11.169   9.2972   10.617   55.787   26.766   71.980   31.104 -16.19227 41.03534 
1 1 1  -10   30   10 o   78.916   29.597   12.472   8.1833  -0.1672   11.531   25.296   11.615   60.207   28.397  102.488   35.679 -42.28020 45.60043 
1 1 1  -10   30   11 o   53.136   24.519  -0.1814   7.8675  -5.4756   10.818   5.7620   11.462   53.627   25.886   66.418   30.251 -12.79071 39.81445 
1 1 1  -10   30   12 o   58.639   25.899   3.6674   7.7190  -7.2852   11.331   13.152   10.544   52.806   25.721   77.013   32.021 -24.20685 41.07256 
1 1 1  -10   30   13 o   56.328   26.484  -0.2294   9.8902   9.8760   20.325  -3.3643   11.321   72.085   34.959   55.611   26.751 16.47427 44.02007 
1 1 1  -10   30   14 o   73.067   28.330   10.879   7.6590   7.5040   20.395   11.433   8.2639   69.668   34.058   73.810   29.186 -4.141609 44.85293 
1 1 1  -10   30   15 o   84.055   28.463   14.849   7.3771   36.830   18.827   10.861   8.0183   93.158   40.819   71.899   28.648 21.25909 49.86904 
1 1 1  -10   30   16 o   68.748   29.664   10.231   9.6282  -9.8970   18.127   18.140   11.364   57.882   28.949   80.883   33.404 -23.00090 44.20265 
1 1 1  -10   30   17 o   50.947   24.381  -2.0405   9.1342   10.240   18.450  -6.0276   10.513   67.156   32.735   49.902   24.407 17.25401 40.83258 
1 1 1  -10   30   18 f   45.698   22.008  -3.7615   7.7147 -21.4500   19.657  -0.5408   8.3877   53.347   27.091   50.642   23.986 2.704914 36.18304 
1 1 1  -10   30   19 o   67.446   27.648   10.475   7.7117 -15.0200   20.326   14.762   8.3348   54.890   27.840   76.320   29.564 -21.43040 40.60902 
1 1 1  -10   30   20 o   56.224   25.435   5.0572   7.9359   19.230   21.844   2.9021   8.5179   66.486   33.012   53.672   25.021 12.81410 41.42272 
1 1 1  -10   30   21 o   52.631   24.852   2.3593   8.8771   0.0000   0.0000   2.3593   8.8771  ?   ?    52.631   24.852 0.000000 24.85159 
1 1 1  -10   30   22 o   73.746   30.569   17.120   9.5672   0.0000   0.0000   17.120   9.5672  ?   ?    73.746   30.569 0.000000 30.56903 
1 1 1  -10   30   23 o   63.207   28.381   11.851   9.6685   0.0000   0.0000   11.851   9.6685  ?   ?    63.207   28.381 0.000000 28.38052 
1 1 1  -10   30   24 o   58.249   26.967   8.9990   9.6329 -57.3600   21.404   25.854   10.787   43.327   22.360   82.819   33.151 -39.49286 39.98668 
1 1 1  -10   30   25 o   38.309   19.108  -8.8159   7.6689 -28.4800   17.729  -4.2898   8.5058   44.618   22.900   43.267   21.320 1.350845 31.28805 
1 1 1  -10   30   26 o   56.161   25.083   8.2737   7.4465   30.210   19.051   4.3179   8.0901   62.791   31.117   50.373   23.767 12.41782 39.15522 
1 1 1  -10   30   27 o   55.136   25.425   9.0125   8.4392   19.420   21.818   7.1815   9.1515   55.186   28.076   52.565   24.942 2.621155 37.55448 
1 1 1  -10   30   28 o   64.831   28.445   17.637   9.1689   2.5380   23.438   20.365   9.9628   49.558   25.468   66.491   29.393 -16.93300 38.89180 
1 1 1  -10   30   29 o   35.707   18.301 -22.1953   10.907 -37.2200   22.917 -17.7954   12.401   42.261   21.877   38.832   19.874 3.428288 29.55617 
1 1 1  -10   31    1 o   50.277   23.439  -1.5000   7.4768  -4.4987   11.279   0.8509   9.9864   55.256   26.611   58.468   27.201 -3.212254 38.05309 
1 1 1  -10   31    2 o   45.130   21.462  -4.0343   6.8504  -2.9666   10.310  -4.8782   9.1661   54.827   26.145   50.501   24.235 4.325951 35.64961 
1 1 1  -10   31    3 o   48.727   24.048 -12.0409   10.968 -12.0409   10.968   0.0000   0.0000   48.727   24.048  ?   ?  0.000000 24.04845 
1 1 1  -10   31    4 o   54.602   24.826   1.2789   7.6781   8.5215   11.091  -5.3867   10.640   69.357   30.818   53.028   25.615 16.32885 40.07314 
1 1 1  -10   31    5 o   50.013   23.433  -1.7694   7.6276  -0.9121   11.147  -2.5244   10.460   57.912   27.493   55.191   26.323 2.721794 38.06286 
1 1 1  -10   31    6 o   53.014   24.528  -0.0048   7.9516   2.8944   11.579  -2.5926   10.939   62.178   29.048   55.765   26.685 6.412632 39.44493 
1 1 1  -10   31    7 o  119.815   26.238   26.175   7.9176   36.163   11.352   16.712   11.049  128.265   33.721   82.065   33.302 46.19910 47.39344 
1 1 1  -10   31    8 f  107.419   29.223   23.212   8.3474   23.630   11.759   22.786   11.852   93.915   35.427   91.847   35.344 2.068169 50.04276 
1 1 1  -10   31    9 o   40.816   20.089  -9.5615   7.4800 -14.8872   10.475  -4.0194   10.685   44.978   22.419   53.268   25.716 -8.290363 34.11584 
1 1 1  -10   31   10 o   72.459   27.788   10.795   7.3101   6.2162   10.703   14.798   10.008   63.799   29.126   77.980   31.677 -14.18111 43.03148 
1 1 1  -10   31   11 o  137.492   24.635   33.923   8.4514   25.839   11.944   42.027   11.960   95.013   35.734  135.264   34.134 -40.25111 49.41677 
1 1 1  -10   31   12 f   67.102   27.743   9.2380   7.8504   13.988   11.374   4.9172   10.849   73.308   31.935   61.139   28.413 12.16876 42.74478 
1 1 1  -10   31   13 o   47.758   23.112  -4.4629   8.7637 -26.0700   20.255   0.5134   9.7207   53.256   27.090   54.450   25.799 -1.194515 37.40891 
1 1 1  -10   31   14 o   42.171   20.954 -11.2661   8.8611 -37.5900   18.947  -3.8964   10.025   48.313   24.714   50.190   24.389 -1.876522 34.72178 
1 1 1  -10   31   15 o   50.816   24.229  -0.6283   8.8471   3.4900   16.436  -2.3083   10.498   60.429   29.750   51.684   25.079 8.745026 38.91000 
1 1 1  -10   31   16 o   56.794   25.661   5.2039   8.0489   32.690   18.951  -0.8457   8.8907   77.554   36.525   50.097   23.995 27.45683 43.70203 
1 1 1  -10   31   17 o   58.001   26.052   6.4130   8.1548 -25.1100   19.742   12.898   8.9544   50.290   25.684   68.918   29.136 -18.62762 38.84030 
1 1 1  -10   31   18 o   51.551   24.087   2.5428   7.9652   36.340   21.026  -3.1204   8.6067   72.991   35.435   46.352   22.541 26.63894 41.99666 
1 1 1  -10   31   19 o  108.779   30.165   29.131   8.7963   49.550   22.229   25.340   9.5781   76.727   37.053   91.861   32.373 -15.13410 49.20285 
1 1 1  -10   31   20 o   54.507   25.287   5.5688   8.5358   1.7800   23.038   6.1717   9.1898   55.955   28.504   55.425   25.888 0.5301094 38.50549 
1 1 1  -10   31   21 o  120.481   31.130   37.591   9.7845   0.0000   0.0000   37.591   9.7845  ?   ?   120.481   31.130 0.000000 31.12981 
1 1 1  -10   31   22 o   70.974   30.782   19.888   10.475   0.0000   0.0000   19.888   10.475  ?   ?    70.974   30.782 0.000000 30.78244 
1 1 1  -10   31   23 o   64.738   27.359   13.149   7.8908 -45.0300   22.675   21.165   8.4169   44.579   23.006   81.160   30.099 -36.58130 37.88486 
1 1 1  -10   31   24 o   36.775   18.438  -9.5276   7.5684 -40.5400   19.410  -3.9669   8.2189   42.295   21.805   41.881   20.697 0.4147568 30.06410 
1 1 1  -10   31   25 o   42.922   21.096  -1.6420   8.1543   14.460   19.661  -4.9871   8.9613   53.197   27.022   41.547   20.713 11.64986 34.04742 
1 1 1  -10   31   26 o   53.656   24.972   9.6770   8.4292 -11.1000   19.891   14.225   9.3061   45.723   23.498   58.332   26.826 -12.60905 35.66201 
1 1 1  -10   31   27 o   47.098   22.857   5.1837   8.7301 -16.1200   21.963   9.1815   9.5140   44.177   22.793   50.573   24.377 -6.395939 33.37246 
1 1 1  -10   32    1 o  111.588   28.029   24.822   8.0907   28.407   11.658   21.491   11.237  101.580   35.724   87.784   34.237 13.79630 49.48131 
1 1 1  -10   32    2 o   55.837   24.928   3.4924   7.3464   0.6800   11.319   5.5391   9.6565   57.451   27.396   61.379   27.882 -3.927734 39.08935 
1 1 1  -10   32    3 f  109.441   28.311   24.259   8.0864   29.565   11.820   19.590   11.087  102.981   35.984   83.894   33.599 19.08704 49.23177 
1 1 1  -10   32    4 o  141.910   23.542   35.585   8.3504   30.906   12.321   39.561   11.357  103.082   36.674  131.525   33.301 -28.44349 49.53777 
1 1 1  -10   32    5 f   73.524   28.428   11.999   7.6954   8.3412   11.529   14.939   10.335   65.195   29.935   75.727   31.612 -10.53194 43.53706 
1 1 1  -10   32    6 o   37.744   18.741 -10.8343   7.0400  -9.5432   9.9188 -12.1449   9.9936   46.152   22.795   44.577   22.166 1.574760 31.79528 
1 1 1  -10   32    7 o   77.827   28.689   13.848   7.6243   16.272   11.128   11.704   10.467   75.875   32.296   69.170   30.369 6.705101 44.33165 
1 1 1  -10   32    8 o   46.381   21.957  -1.7632   7.0124  -0.8763   10.410  -2.5000   9.4882   53.495   25.713   50.590   24.375 2.904598 35.42970 
1 1 1  -10   32    9 o  107.052   27.915   23.955   7.8206   25.553   11.073   22.364   11.047   92.667   34.493   85.870   33.811 6.797546 48.30043 
1 1 1  -10   32   10 o   50.610   23.566   1.0727   7.5215   8.8905   10.641  -6.7324   10.633   63.331   28.962   48.414   23.853 14.91663 37.51981 
1 1 1  -10   32   11 o   69.855   28.039   11.803   7.7404   0.6041   11.989   19.808   10.136   55.093   26.748   81.461   32.288 -26.36824 41.92843 
1 1 1  -10   32   12 o   55.113   26.113   3.1670   9.9598   0.0734   19.531   4.2543   11.578   58.264   29.268   57.234   27.405 1.029747 40.09566 
1 1 1  -10   32   13 o   60.194   27.728   8.1132   9.9983   5.3113   11.696   15.720   19.270   57.527   27.545   64.112   31.685 -6.585316 41.98464 
1 1 1  -10   32   14 o   52.252   24.851   2.2204   9.1885 -14.6700   16.328   10.049   11.116   49.536   25.106   61.444   28.623 -11.90761 38.07378 
1 1 1  -10   32   15 o   63.036   26.552   9.9113   7.3931  -0.5938   17.721   12.125   8.1349   54.869   27.605   66.474   27.918 -11.60468 39.26181 
1 1 1  -10   32   16 o   74.741   29.587   16.853   8.5011 -11.0400   20.082   22.943   9.3833   51.765   26.391   85.171   31.742 -33.40593 41.27995 
1 1 1  -10   32   17 o   85.391   30.741   22.010   8.6806 -10.1300   21.248   28.449   9.5105   51.708   26.428   96.962   32.318 -45.25388 41.74752 
1 1 1  -10   32   18 o   53.241   24.987   5.6242   8.7348 -23.0200   22.377   10.774   9.4875   48.791   25.078   59.578   27.283 -10.78717 37.05740 
1 1 1  -10   32   19 o   43.132   21.406  -5.2978   9.1454   0.0000   0.0000  -5.2978   9.1454  ?   ?    43.132   21.406 0.000000 21.40650 
1 1 1  -10   32   20 o   74.486   32.388   26.539   11.655   0.0000   0.0000   26.539   11.655  ?   ?    74.486   32.388 0.000000 32.38759 
1 1 1  -10   32   21 o   96.028   33.458   33.640   10.214   0.0000   0.0000   33.640   10.214  ?   ?    96.028   33.458 0.000000 33.45754 
1 1 1  -10   32   22 o   49.733   23.738   5.3042   8.5393   0.4746   22.512   6.1159   9.2291   49.779   25.564   50.595   24.290 -0.8160133 35.26354 
1 1 1  -10   32   23 o   46.873   22.402   3.7562   7.6579 -26.9600   21.701   8.1251   8.1844   43.972   22.686   52.064   24.355 -8.091770 33.28434 
1 1 1  -10   32   24 o   49.514   23.579   7.0836   8.3242   27.810   19.907   2.6915   9.1638   53.729   27.282   45.492   22.360 8.236790 35.27492 
1 1 1  -10   32   25 o   50.229   23.805   8.9330   8.2871 -14.9400   17.865   15.478   9.3544   42.200   21.715   56.397   26.268 -14.19746 34.08144 
1 1 1  -10   33    1 o   78.878   28.993   15.527   7.7787   18.526   10.998   12.526   11.003   76.025   32.224   66.824   30.116 9.201378 44.10577 
1 1 1  -10   33    2 o   71.551   27.945   12.486   7.4941   11.483   11.466   13.234   9.9017   65.062   29.867   68.870   29.899 -3.807968 42.26070 
1 1 1  -10   33    3 o   89.681   29.650   19.765   8.0109   24.865   11.945   15.595   10.800   83.941   34.410   71.172   31.058 12.76893 46.35301 
1 1 1  -10   33    4 o   53.512   24.446   3.6951   7.5570   13.276   11.120  -4.5269   10.301   67.085   30.250   48.578   23.843 18.50624 38.51689 
1 1 1  -10   33    5 o  101.624   28.822   23.670   7.9370   18.422   11.876   27.907   10.670   72.773   32.134   95.280   34.105 -22.50653 46.85868 
1 1 1  -10   33    6 o   51.944   24.063   2.8225   7.6887   10.487   11.506  -3.3611   10.335   62.635   29.159   49.094   24.052 13.54078 37.79898 
1 1 1  -10   33    7 o   49.888   23.317   1.7134   7.4730   5.0643   10.960  -1.1980   10.216   56.571   26.971   50.380   24.514 6.191055 36.44693 
1 1 1  -10   33    8 o   75.929   28.811   15.441   7.8059   9.3499   11.365   20.881   10.740   60.448   28.412   77.560   32.289 -17.11181 43.00925 
1 1 1  -10   33    9 o   63.609   28.108   11.231   9.1024   36.060   19.182   4.0155   10.341   73.659   35.271   54.390   26.005 19.26900 43.82166 
1 1 1  -10   33   10 o   68.237   31.804   20.302   13.750   23.610   20.305   17.500   18.687   64.335   31.924   62.261   30.848 2.073719 44.39337 
1 1 1  -10   33   11 o   46.719   22.947  -3.0637   9.5947  -1.1812   11.363  -7.7390   17.908   50.007   24.641   51.454   26.101 -1.447346 35.89533 
1 1 1  -10   33   12 o   58.049   25.488   8.1845   7.3740  -2.7366   10.712   18.023   10.167   47.872   23.652   70.455   30.441 -22.58298 38.55019 
1 1 1  -10   33   13 o   49.745   23.535   2.9053   8.0325   16.207   11.406 -10.1808   11.314   64.325   29.625   43.915   22.089 20.40938 36.95355 
1 1 1  -10   33   14 o   45.107   22.295  -3.5166   9.5526 -24.5800   18.594   4.0361   11.134   45.851   23.527   51.964   25.352 -6.113628 34.58640 
1 1 1  -10   33   15 o   68.451   27.774   14.579   7.6843   9.5880   20.650   15.381   8.2788   54.538   27.703   68.150   28.358 -13.61206 39.64394 
1 1 1  -10   33   16 o   47.023   22.827   1.1605   8.7221   0.0000   0.0000   1.1605   8.7221  ?   ?    47.023   22.827 0.000000 22.82678 
1 1 1  -10   33   17 o   42.540   21.390  -7.7447   10.562   0.0000   0.0000  -7.7447   10.562  ?   ?    42.540   21.390 0.000000 21.39031 
1 1 1  -10   33   18 f   62.434   28.340   16.666   9.9522   42.040   22.525   10.511   11.094   60.330   30.449   54.257   26.195 6.073288 40.16629 
1 1 1  -10   33   19 o   52.672   25.116   8.8900   9.5105   0.0000   0.0000   8.8900   9.5105  ?   ?    52.672   25.116 0.000000 25.11573 
1 1 1  -10   33   20 o   46.407   22.446   3.4277   8.2385   0.0000   0.0000   3.4277   8.2385  ?   ?    46.407   22.446 0.000000 22.44608 
1 1 1  -10   33   21 o   44.153   21.729   1.4823   8.7431 -31.3900   24.965   6.0776   9.3342   43.393   22.475   48.073   23.400 -4.679165 32.44497 
1 1 1  -10   33   22 o   45.437   22.233   4.2128   8.7509   7.5760   22.391   3.6065   9.5071   46.930   24.158   45.112   22.288 1.818851 32.86840 
1 1 1  -10   33   23 o   58.122   26.385   16.726   8.6283   22.970   22.413   15.639   9.3487   48.026   24.694   54.756   25.747 -6.729496 35.67432 
1 1 1  -10   33   24 o   39.684   20.119  -3.2991   10.538  -9.5450   20.799  -1.1417   12.224   41.650   21.515   41.298   21.011 0.3512154 30.07225 
1 1 1  -10   34    1 o   42.062   20.667  -4.8316   7.8070  -4.3188   11.143  -5.3261   10.941   47.378   23.534   46.538   23.150 0.8401833 33.01145 
1 1 1  -10   34    2 o   58.489   25.687   8.4841   7.4933   22.030   11.437  -1.7033   9.9185   73.162   31.943   47.729   23.420 25.43274 39.60837 
1 1 1  -10   34    3 f   57.052   27.177   8.6235   11.078   0.0000   0.0000   8.6235   11.078  ?   ?    57.052   27.177 0.000000 27.17699 
1 1 1  -10   34    4 o  112.354   29.273   31.132   8.6047   22.256   12.732   38.595   11.674   69.442   31.727  103.601   35.787 -34.15900 47.82590 
1 1 1  -10   34    5 f   52.248   24.869   4.4916   9.2366   6.7970   18.585   3.7354   10.644   55.286   27.872   52.139   25.289 3.146282 37.63493 
1 1 1  -10   34    6 o   52.282   25.472   4.0285   11.130   1.8810   16.324   5.8940   15.215   52.710   26.516   54.299   27.057 -1.588230 37.88400 
1 1 1  -10   34    7 o   52.909   25.973   4.9259   12.243   8.5700   17.557   1.4760   17.083   55.149   27.709   52.378   26.445 2.770950 38.30356 
1 1 1  -10   34    8 o   85.355   32.858   27.569   10.245   30.045   12.235   21.760   18.743   79.032   33.757   59.761   29.819 19.27100 45.04155 
1 1 1  -10   34    9 o   55.890   25.182   8.2616   7.6882   1.7099   11.353   13.811   10.449   49.636   24.491   60.688   28.092 -11.05177 37.26933 
1 1 1  -10   34   10 o   57.439   25.723   9.6198   7.8873   5.3926   11.025   14.052   11.289   51.718   25.230   59.296   28.007 -7.578804 37.69546 
1 1 1  -10   34   11 o   45.092   21.884   0.1912   8.0041  -7.0722   10.866   8.8062   11.834   43.382   21.798   53.751   26.204 -10.36831 34.08515 
1 1 1  -10   34   12 o   49.477   23.492   4.6431   8.1443  -6.0528   11.440   15.635   11.597   44.120   22.195   59.061   28.040 -14.94129 35.76105 
1 1 1  -10   34   13 f   64.755   28.351   16.713   9.0665   15.550   14.594   17.444   11.570   55.572   27.485   60.084   28.371 -4.512768 39.50121 
1 1 1  -10   34   14 o   37.882   19.078  -9.7320   8.5832   0.0763   10.724 -27.2100   14.316   46.039   22.905   39.363   20.222 6.676006 30.55388 
1 1 1  -10   34   15 o   43.322   21.839  -5.0549   11.399   2.8430   21.214  -8.2610   13.516   48.921   25.104   43.614   22.179 5.307461 33.49850 
1 1 1  -10   34   16 o   39.920   19.892  -4.3346   8.2217  -2.0970   20.666  -4.7554   8.9614   47.164   24.233   40.606   20.316 6.558033 31.62225 
1 1 1  -10   34   17 o   48.328   23.170   6.1806   8.3327   11.220   21.597   5.2993   9.0320   48.934   25.125   47.427   23.070 1.507145 34.11009 
1 1 1  -10   34   18 o   39.514   19.777  -4.1039   8.5341   0.0000   0.0000  -4.1039   8.5341  ?   ?    39.514   19.777 0.000000 19.77712 
1 1 1  -10   34   19 o   61.840   27.817   20.252   9.3355   0.0000   0.0000   20.252   9.3355  ?   ?    61.840   27.817 0.000000 27.81671 
1 1 1  -10   34   20 o   37.833   19.146  -6.4932   9.2692   0.0000   0.0000  -6.4932   9.2692  ?   ?    37.833   19.146 0.000000 19.14604 
1 1 1  -10   34   21 o   43.711   21.628   5.2930   9.0715   5.8780   22.280   5.1767   9.9321   43.612   22.519   43.582   21.740 0.3016281E-01 31.30095 
1 1 1  -10   35    1 o   59.604   28.209   16.402   11.558   18.790   15.521   13.430   17.316   57.265   28.326   53.944   27.159 3.320034 39.24241 
1 1 1  -10   35    2 o   65.965   30.624   24.609   12.551   36.100   19.514   16.500   16.392   61.600   30.687   55.444   27.699 6.156136 41.33929 
1 1 1  -10   35    3 o   41.840   20.926  -5.7791   9.4738  -0.4170   11.586 -16.6000   16.458   46.833   23.380   44.171   22.628 2.661316 32.53749 
1 1 1  -10   35    4 o   49.839   24.144   5.2454   9.6276   3.3041   11.557   9.6480   17.404   48.831   24.205   52.017   26.313 -3.185955 35.75331 
1 1 1  -10   35    5 o   49.189   23.248   5.0474   7.8017   2.5921   10.978   7.5525   11.089   47.989   23.753   51.469   25.151 -3.479568 34.59476 
1 1 1  -10   35    6 o   45.659   21.997   2.1427   7.7245   0.4739   11.958   3.3379   10.119   46.920   23.473   47.955   23.556 -1.035297 33.25488 
1 1 1  -10   35    7 o   56.858   25.831   11.382   8.2899   23.492   12.125   0.7496   11.360   63.756   29.765   46.531   23.217 17.22432 37.74928 
1 1 1  -10   35    8 o   39.592   19.640  -4.1611   7.6630  -1.8807   11.003  -6.3091   10.679   44.607   22.345   42.079   21.203 2.528076 30.80381 
1 1 1  -10   35    9 o   61.139   27.615   16.430   9.3116   10.160   15.040   20.327   11.858   50.754   25.521   59.904   28.415 -9.150688 38.19326 
1 1 1  -10   35   10 o   40.973   20.640  -6.2762   10.079 -26.2800   13.932   15.690   14.599   38.409   19.741   52.969   26.412 -14.55988 32.97430 
1 1 1  -10   35   11 o   49.612   24.201   7.8443   10.137   10.730   13.231   3.7430   15.774   50.472   25.163   47.380   24.081 3.091805 34.82949 
1 1 1  -10   35   12 o   62.711   28.320   20.126   9.7882   15.834   12.514   26.890   15.710   53.299   26.184   56.188   27.916 -2.889309 38.27358 
1 1 1  -10   35   13 o   46.503   22.594   5.1670   8.5938   9.3674   12.341   1.2124   11.974   48.776   24.315   44.668   22.501 4.107494 33.12858 
1 1 1  -10   35   14 o   44.404   21.690   3.5188   8.2218   2.2779   12.136   4.5715   11.178   44.606   22.492   45.599   22.795 -0.9929810 32.02338 
1 1 1  -10   35   15 o   47.749   23.399   8.6253   9.7987   10.580   20.962   8.0788   11.084   46.289   23.804   46.902   23.326 -0.6133080 33.32782 
1 1 1  -10   35   16 o   34.672   17.574  -9.4698   8.0089 -29.5500   20.669  -5.9223   8.6875   39.698   20.557   37.367   18.866 2.330265 27.90160 
1 1 1  -10   35   17 o   36.936   18.667  -5.6353   8.6326 -13.0600   23.375  -4.4627   9.2893   41.535   21.519   38.151   19.290 3.384350 28.89968 
1 1 1  -10   35   18 o   43.866   21.826   6.9776   9.7516   0.0000   0.0000   6.9776   9.7516  ?   ?    43.866   21.826 0.000000 21.82642 
1 1 1  -10   35   19 o   48.040   23.528   14.759   9.8654   0.0000   0.0000   14.759   9.8654  ?   ?    48.040   23.528 0.000000 23.52784 
1 1 1  -10   36    1 o   41.011   20.724  -5.5103   10.628   0.0000   0.0000  -5.5103   10.628  ?   ?    41.011   20.724 0.000000 20.72425 
1 1 1  -10   36    2 o   42.160   21.158  -2.1878   10.082   0.0000   0.0000  -2.1878   10.082  ?   ?    42.160   21.158 0.000000 21.15773 
1 1 1  -10   36    3 o   44.630   22.042   2.6632   9.2722 -11.4400   15.434   10.628   11.599   42.057   21.570   49.852   24.627 -7.795040 32.73806 
1 1 1  -10   36    4 o   48.817   23.772   8.2504   9.6601   6.2570   16.004   9.3928   12.116   46.893   23.875   48.693   24.245 -1.800552 34.02659 
1 1 1  -10   36    5 o   44.834   22.314   3.0554   10.222   9.0960   15.033  -2.1390   13.940   47.675   24.155   43.696   22.251 3.978558 32.84135 
1 1 1  -10   36    6 o   43.037   21.592   0.1561   10.465   3.1950   14.511  -3.1370   15.106   45.352   23.055   43.538   22.255 1.813717 32.04390 
1 1 1  -10   36    7 o   50.803   24.466   11.381   9.5338   17.584   12.253   1.8650   15.177   52.637   25.869   44.709   22.807 7.928524 34.48689 
1 1 1  -10   36    8 o   56.861   26.417   17.136   9.3656   15.995   11.650   19.220   15.746   51.745   25.389   49.998   25.261 1.747177 35.81483 
1 1 1  -10   36    9 o   35.383   17.911  -8.8912   8.1469 -27.8543   11.339   11.340   11.712   33.523   17.253   48.178   23.964 -14.65587 29.52829 
1 1 1  -10   36   10 o   46.569   22.489   7.3246   8.1875   10.087   11.896   4.8378   11.286   46.856   23.437   44.270   22.240 2.585560 32.30925 
1 1 1  -10   36   11 o   38.795   19.405  -1.8792   8.1574  -7.4564   12.045   2.8461   11.087   39.205   20.026   42.794   21.569 -3.589386 29.43214 
1 1 1  -10   36   12 o   39.868   19.859   0.3689   8.1631   6.7181   11.458  -6.1748   11.632   44.077   22.178   38.945   19.875 5.132099 29.78101 
1 1 1  -10   36   13 o   40.136   19.971   1.4626   8.1655  -6.4253   11.315   10.035   11.795   38.200   19.504   44.889   22.576 -6.688519 29.83439 
1 1 1  -10   36   14 o   37.620   18.949  -2.0829   8.4841  -3.9705   12.098  -0.2564   11.901   38.848   19.862   39.996   20.384 -1.148102 28.46082 
1 1 1  -10   36   15 o   39.515   19.981   1.4726   9.9749   6.3190   19.284  -0.2977   11.655   41.275   21.298   39.240   20.014 2.034992 29.22605 
1 1 1  -10   36   16 o   37.323   18.677   0.3584   7.5953 -14.6800   19.591   3.0185   8.2397   37.772   19.574   39.278   19.625 -1.505810 27.71805 
1 1 1  -10   37    1 o   52.888   24.618   14.340   8.1964   27.567   12.210   3.4897   11.058   55.536   26.971   42.274   21.336 13.26163 34.38948 
1 1 1  -10   37    2 o   51.887   24.471   14.365   8.5604   6.4197   12.323   21.775   11.900   43.439   21.993   51.828   25.476 -8.389309 33.65582 
1 1 1  -10   37    3 o   44.465   22.141   7.8838   10.112   8.7970   19.604   7.5528   11.804   43.349   22.328   43.846   22.119 -0.4967499 31.42899 
1 1 1  -10   37    4 o   61.802   28.317   27.727   10.240   14.270   18.269   33.892   12.365   44.300   22.763   59.342   28.390 -15.04216 36.38877 
1 1 1  -10   37    5 o   44.698   21.867   7.7923   8.4523   10.920   11.798   4.4947   12.115   44.930   22.594   42.104   21.370 2.825771 31.09897 
1 1 1  -10   37    6 o   50.837   23.944   13.737   8.1463   15.859   11.839   11.829   11.226   47.050   23.511   45.357   22.699 1.692837 32.68036 
1 1 1  -10   37    7 o   47.646   22.953   11.721   8.4079   11.552   12.403   11.864   11.437   44.208   22.346   44.844   22.509 -0.6352539 31.71696 
1 1 1  -10   37    8 f   46.568   22.600   11.302   8.5330   8.8800   12.177   13.639   11.961   42.754   21.670   44.903   22.602 -2.149235 31.31225 
1 1 1  -10   37    9 o   32.061   16.371 -11.4067   7.9836 -22.2335   11.149  -0.0137   11.437   32.649   16.818   39.008   19.890 -6.359379 26.04676 
1 1 1  -10   37   10 o   54.779   25.388   20.113   8.5733   20.094   12.029   20.134   12.222   46.722   23.399   46.509   23.334 0.2127647 33.04512 
1 1 1  -10   37   11 o   47.656   22.951   14.286   8.3918   2.3826   11.692   26.933   12.052   38.908   19.863   49.560   24.593 -10.65122 31.61226 
1 1 1  -10   37   12 o   50.910   24.012   17.768   8.2455   6.8370   12.126   27.169   11.245   39.764   20.294   50.448   24.791 -10.68421 32.03789 
1 1 1  -10   37   13 o   37.053   18.682   1.8840   8.3565   1.0465   11.865   2.7083   11.771   37.326   19.128   37.807   19.350 -0.4807129 27.20847 
1 1 1  -10   38    1 o   34.222   17.326  -3.2544   7.6424   1.5579   11.225  -7.4133   10.435   37.725   19.275   34.622   17.755 3.103325 26.20627 
1 1 1  -10   38    2 o   52.181   24.443   19.560   8.2911   15.699   11.640   23.537   11.813   42.842   21.654   46.364   23.215 -3.522148 31.74623 
1 1 1  -10   38    3 o   40.414   20.105   7.1787   8.2575  -9.4641   11.456   25.177   11.913   34.489   17.728   46.811   23.421 -12.32240 29.37387 
1 1 1  -10   38    4 o   35.154   17.863  -2.1109   8.6469   11.154   13.137 -12.2511   11.486   40.045   20.492   33.707   17.348 6.338680 26.84921 
1 1 1  -10   38    5 o   32.478   16.677 -10.9187   9.5425 -26.1200   19.177  -5.9157   11.001   34.730   18.031   34.842   17.892 -0.1126671 25.40141 
1 1 1  -10   38    6 o   37.007   18.795   2.5909   9.4811  -2.4520   19.095   4.2409   10.923   36.842   19.099   37.680   19.233 -0.8381653 27.10453 
1 1 1  -10   38    7 o   33.956   17.227  -2.2002   7.8200 -11.0696   11.382   5.7293   10.762   33.286   17.139   37.867   19.306 -4.580296 25.81614 
1 1 1   -9    0    1 o  424.249   11.576  233.853   12.700  233.853   12.700  233.853   12.700  424.249   11.576  424.249   11.576 0.000000 0.000000 
1 1 1   -9    0    2 o  475.273   11.907  293.397   14.637  293.397   14.637  293.397   14.637  475.273   11.907  475.273   11.907 -0.000000 0.000000 
1 1 1   -9    0    3 o  576.620   12.590  431.711   18.784  431.711   18.784  431.711   18.784  576.620   12.590  576.620   12.590 0.000000 0.000000 
1 1 1   -9    0    4 o  374.589   11.785  182.437   11.410  182.437   11.410  182.437   11.410  374.589   11.785  374.589   11.785 0.000000 0.000000 
1 1 1   -9    0    5 o  726.756   13.822  685.635   25.998  685.635   25.998  685.635   25.998  726.756   13.822  726.756   13.822 0.000000 0.000000 
1 1 1   -9    0    6 o   25.364   18.040  -7.1500   5.1186  -7.1500   5.1186  -7.1500   5.1186   25.364   18.040   25.364   18.040 -0.000000 0.000000 
1 1 1   -9    0    7 o  443.021   17.872  255.900   20.433  255.900   20.433  255.900   20.433  443.021   17.872  443.021   17.872 0.000000 0.000000 
1 1 1   -9    0    8 o  1072.10   17.182  1492.25   47.688  1492.25   47.688  1492.25   47.688  1072.10   17.182  1072.10   17.182 -0.000000 0.000000 
1 1 1   -9    0    9 f  291.599   13.051  110.888   9.8126  110.888   9.8126  110.888   9.8126  291.599   13.051  291.599   13.051 -0.000000 0.000000 
1 1 1   -9    0   10 o  296.244   13.267  114.450   10.134  114.450   10.134  114.450   10.134  296.244   13.267  296.244   13.267 0.000000 0.000000 
1 1 1   -9    0   11 o   51.737   29.216   4.5904   5.9973   4.5904   5.9973   4.5904   5.9973   51.737   29.216   51.737   29.216 0.000000 0.000000 
1 1 1   -9    0   12 o  237.653   16.563   74.314   10.083   74.314   10.083   74.314   10.083  237.653   16.563  237.653   16.563 0.000000 0.000000 
1 1 1   -9    0   13 o  624.359   14.215  506.225   22.962  506.225   22.962  506.225   22.962  624.359   14.215  624.359   14.215 0.000000 0.000000 
1 1 1   -9    0   14 o  233.935   16.526   72.043   9.8991   72.043   9.8991   72.043   9.8991  233.935   16.526  233.935   16.526 0.000000 0.000000 
1 1 1   -9    0   15 o  616.161   13.878  493.044   22.125  493.044   22.125  493.044   22.125  616.161   13.878  616.161   13.878 0.000000 0.000000 
1 1 1   -9    0   16 o  1192.78   26.453  1854.00   81.639  1854.00   81.639  1854.00   81.639  1192.78   26.453  1192.78   26.453 0.000000 0.000000 
1 1 1   -9    0   17 f  322.513   15.090  135.820   12.543  135.820   12.543  135.820   12.543  322.513   15.090  322.513   15.090 0.000000 0.000000 
1 1 1   -9    0   18 o  886.952   15.930  1021.93   36.572  1021.93   36.572  1021.93   36.572  886.952   15.930  886.952   15.930 -0.000000 0.000000 
1 1 1   -9    0   19 o   71.500   36.748   9.8015   8.6743   9.8015   8.6743   9.8015   8.6743   71.500   36.748   71.500   36.748 0.000000 0.000000 
1 1 1   -9    0   20 o  593.225   14.485  457.543   22.228  457.543   22.228  457.543   22.228  593.225   14.485  593.225   14.485 0.000000 0.000000 
1 1 1   -9    0   21 o  461.182   14.593  276.939   17.394  276.939   17.394  276.939   17.394  461.182   14.593  461.182   14.593 -0.000000 0.000000 
1 1 1   -9    0   22 o  103.816   38.161   18.870   9.4882   18.870   9.4882   18.870   9.4882  103.816   38.161  103.816   38.161 0.000000 0.000000 
1 1 1   -9    0   23 o  293.826   16.722  113.344   12.633  113.344   12.633  113.344   12.633  293.826   16.722  293.826   16.722 -0.000000 0.000000 
1 1 1   -9    0   24 o  359.230   16.154  168.881   14.962  168.881   14.962  168.881   14.962  359.230   16.154  359.230   16.154 -0.000000 0.000000 
1 1 1   -9    0   25 o   49.819   31.954   0.5869   9.3478   0.5869   9.3478   0.5869   9.3478   49.819   31.954   49.819   31.954 0.000000 0.000000 
1 1 1   -9    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9    0   27 o  308.878   17.568  125.873   13.952  125.873   13.952  125.873   13.952  308.878   17.568  308.878   17.568 -0.000000 0.000000 
1 1 1   -9    0   28 o  294.646   17.428  114.804   13.195  114.804   13.195  114.804   13.195  294.646   17.428  294.646   17.428 0.000000 0.000000 
1 1 1   -9    0   29 o  127.451   37.708   26.809   10.826   26.809   10.826   26.809   10.826  127.451   37.708  127.451   37.708 -0.000000 0.000000 
1 1 1   -9    0   30 o  293.650   18.160  114.664   13.693  114.664   13.693  114.664   13.693  293.650   18.160  293.650   18.160 0.000000 0.000000 
1 1 1   -9    0   31 f   79.204   39.347   12.935   9.7645   12.935   9.7645   12.935   9.7645   79.204   39.347   79.204   39.347 -0.000000 0.000000 
1 1 1   -9    0   32 o  246.456   20.255   82.187   12.729   82.187   12.729   82.187   12.729  246.456   20.255  246.456   20.255 -0.000000 0.000000 
1 1 1   -9    0   33 o  219.153   22.321   66.243   12.370   66.243   12.370   66.243   12.370  219.153   22.321  219.153   22.321 0.000000 0.000000 
1 1 1   -9    0   34 o  211.395   22.359   62.115   11.930   62.115   11.930   62.115   11.930  211.395   22.359  211.395   22.359 0.000000 0.000000 
1 1 1   -9    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9    0   36 o   56.009   35.525   3.9723   11.170   3.9723   11.170   3.9723   11.170   56.009   35.525   56.009   35.525 0.000000 0.000000 
1 1 1   -9    0   37 o  213.316   29.837   68.240   15.563   68.240   15.563   68.240   15.563  213.316   29.837  213.316   29.837 0.000000 0.000000 
1 1 1   -9    0   38 o   49.762   33.342  -0.7002   11.991  -0.7002   11.991  -0.7002   11.991   49.762   33.342   49.762   33.342 0.000000 0.000000 
1 1 1   -9    0   39 o  340.427   18.197  159.281   15.941  159.281   15.941  159.281   15.941  340.427   18.197  340.427   18.197 -0.000000 0.000000 
1 1 1   -9    0   40 o   45.370   30.402  -0.3241   9.9734  -0.3241   9.9734  -0.3241   9.9734   45.370   30.402   45.370   30.402 0.000000 0.000000 
1 1 1   -9    0   41 o   48.358   31.867   2.1629   10.216   2.1629   10.216   2.1629   10.216   48.358   31.867   48.358   31.867 0.000000 0.000000 
1 1 1   -9    0   42 o   37.184   26.596 -11.7765   11.741 -11.7765   11.741 -11.7765   11.741   37.184   26.596   37.184   26.596 -0.000000 0.000000 
1 1 1   -9    0   43 o   98.200   51.918   34.920   17.673   34.920   17.673   34.920   17.673   98.200   51.918   98.200   51.918 -0.000000 0.000000 
1 1 1   -9    0   44 o   47.428   34.005  -8.6980   19.668  -8.6980   19.668  -8.6980   19.668   47.428   34.005   47.428   34.005 -0.000000 0.000000 
1 1 1   -9    0   45 o  100.438   47.262   32.267   13.840   32.267   13.840   32.267   13.840  100.438   47.262  100.438   47.262 0.000000 0.000000 
1 1 1   -9    0   46 o   43.963   30.658   0.3850   12.657   0.3850   12.657   0.3850   12.657   43.963   30.658   43.963   30.658 0.000000 0.000000 
1 1 1   -9    1    1 f  195.046   8.3553   49.317   4.2213   48.225   5.9101   50.454   6.0314  192.415   11.917  196.833   11.885 -4.417511 16.83051 
1 1 1   -9    1    2 o  446.594   8.3343  258.548   9.6412  254.394   13.566  262.788   13.704  442.787   11.828  450.038   11.756 -7.250854 16.67653 
1 1 1   -9    1    3 o  462.169   8.4327  276.898   10.095  282.646   14.397  271.338   14.159  466.730   11.909  457.296   11.953 9.434723 16.87314 
1 1 1   -9    1    4 o  117.209   11.545   17.994   3.4596   15.196   4.8792   20.823   4.9061  106.607   18.330  125.683   15.391 -19.07541 23.93500 
1 1 1   -9    1    5 o  291.839   8.5281  110.403   6.4468  111.527   9.1587  109.300   9.0762  293.194   12.059  290.251   12.072 2.942230 17.06356 
1 1 1   -9    1    6 f  221.333   12.644   63.769   7.2188   65.620   9.7089   61.480   10.795  224.103   16.849  216.549   19.453 7.554398 25.73473 
1 1 1   -9    1    7 o  735.214   11.519  701.085   21.938  688.800   37.828  707.310   26.928  727.684   20.069  738.209   14.082 -10.52545 24.51695 
1 1 1   -9    1    8 o  527.012   9.0210  360.023   12.315  368.288   17.648  352.180   17.192  532.799   12.788  521.020   12.739 11.77869 18.04979 
1 1 1   -9    1    9 f  844.826   10.656  925.452   23.318  933.630   33.217  917.506   32.742  848.057   15.121  840.713   15.035 7.343750 21.32385 
1 1 1   -9    1   10 o  274.111   9.5242   97.401   6.7625   97.200   9.5977   97.599   9.5299  273.703   13.538  274.269   13.414 -0.5654907 19.05785 
1 1 1   -9    1   11 o  291.982   9.6675  110.518   7.3117  104.772   10.268  116.429   10.414  284.149   13.950  299.561   13.421 -15.41193 19.35834 
1 1 1   -9    1   12 o  352.317   10.353  160.934   9.4481  158.856   13.338  163.028   13.386  349.845   14.718  354.416   14.581 -4.570892 20.71773 
1 1 1   -9    1   13 o  326.423   10.675  138.161   9.0258  142.778   12.923  133.764   12.611  331.643   15.043  320.997   15.167 10.64523 21.36237 
1 1 1   -9    1   14 o  970.136   11.734  1220.74   29.487  1229.71   41.954  1211.98   41.453  972.970   16.646  965.945   16.568 7.025879 23.48581 
1 1 1   -9    1   15 f  442.464   9.6504  253.826   11.060  246.771   15.516  261.115   15.771  436.034   13.738  448.539   13.574 -12.50482 19.31243 
1 1 1   -9    1   16 o  807.325   21.201  848.800   44.337  848.800   44.337   0.0000   0.0000  807.325   21.201  ?   ?  0.000000 21.20139 
1 1 1   -9    1   17 o  937.244   13.370  1140.39   32.458  1103.00   55.035  1160.33   40.192  919.594   23.104  944.834   16.422 -25.24060 28.34604 
1 1 1   -9    1   18 o  976.174   11.822  1236.66   29.892  1239.29   42.387  1234.06   42.162  976.218   16.763  974.171   16.708 2.047485 23.66750 
1 1 1   -9    1   19 o  399.673   10.200  207.225   10.559  218.509   15.136  196.527   14.738  410.090   14.249  388.882   14.631 21.20798 20.42316 
1 1 1   -9    1   20 o   79.206   25.496   8.0022   5.9426   13.348   8.1651   1.9812   8.6654   99.964   29.504   70.721   29.186 29.24325 41.50071 
1 1 1   -9    1   21 o  422.368   10.324  231.526   11.295  232.545   15.854  230.476   16.095  422.875   14.474  420.956   14.760 1.919373 20.67276 
1 1 1   -9    1   22 o  303.883   11.598  119.951   9.1297  120.916   13.049  119.026   12.778  304.189   16.623  301.829   16.406 2.359589 23.35553 
1 1 1   -9    1   23 o  293.590   12.214  112.048   9.2886  118.668   13.124  105.405   13.148  301.169   16.892  283.587   17.991 17.58203 24.67841 
1 1 1   -9    1   24 o  182.447   15.732   43.733   7.3619   44.203   10.751   43.318   10.102  181.903   23.357  180.334   22.088 1.569611 32.14652 
1 1 1   -9    1   25 o  341.631   11.429  151.827   10.114  172.770   14.239  130.502   14.369  363.836   15.109  315.293   17.664 48.54227 23.24468 
1 1 1   -9    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9    1   27 o  179.827   16.929   42.818   7.7926   25.775   10.749   61.700   11.314  135.398   31.278  215.168   20.549 -79.77010 37.42382 
1 1 1   -9    1   28 o  350.007   11.591  159.869   10.508  167.089   14.877  152.680   14.845  356.572   16.107  340.626   16.825 15.94626 23.29194 
1 1 1   -9    1   29 o  156.616   19.324   32.992   7.6733   37.655   11.180   28.840   10.551  164.743   27.145  142.927   29.477 21.81644 40.07132 
1 1 1   -9    1   30 o  292.290   12.701  111.953   9.6159   98.140   13.359  126.807   13.853  271.042   19.151  309.057   17.374 -38.01566 25.85745 
1 1 1   -9    1   31 o  101.667   25.625   14.630   6.7459   9.5702   9.5159   19.741   9.5646   88.220   32.122  116.818   31.069 -28.59781 44.68898 
1 1 1   -9    1   32 o  353.002   11.785  163.469   10.776  165.447   15.180  161.459   15.301  352.927   16.605  348.464   16.951 4.463013 23.72891 
1 1 1   -9    1   33 o  265.236   13.542   93.111   9.2730  114.925   13.426   73.215   12.822  292.526   17.804  231.222   21.661 61.30373 28.03906 
1 1 1   -9    1   34 o  296.551   16.806  118.157   12.857   0.0000   0.0000  118.157   12.857  ?   ?   296.551   16.806 0.000000 16.80595 
1 1 1   -9    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9    1   36 o  196.095   18.353   52.806   9.2136   64.100   15.569   46.719   11.430  207.235   29.866  179.969   25.211 27.26620 39.08363 
1 1 1   -9    1   37 o   78.781   28.840   8.3652   7.6859 -15.5000   12.902   21.493   9.5691   58.214   28.141  117.240   31.026 -59.02584 41.88716 
1 1 1   -9    1   38 o  126.546   27.580   24.376   8.7852   17.803   10.630   38.540   15.604  104.786   34.131  148.715   39.746 -43.92906 52.38962 
1 1 1   -9    1   39 o  103.051   29.790   16.893   8.4013   16.538   10.423   17.550   14.193  100.408   33.834  102.221   38.835 -1.813683 51.50597 
1 1 1   -9    1   40 o   61.363   27.216   0.1959   8.6113  -2.8912   11.002   5.0790   13.837   63.544   29.202   79.746   34.967 -16.20132 45.55689 
1 1 1   -9    1   41 o  139.226   26.205   30.214   9.1038   27.872   12.699   32.691   13.058  122.475   36.947  133.721   36.622 -11.24538 52.02189 
1 1 1   -9    1   42 o  117.851   27.859   22.785   8.3703   19.693   11.474   26.302   12.238  102.143   35.467  117.104   36.451 -14.96196 50.85846 
1 1 1   -9    1   43 o   76.664   32.609   8.1212   11.330  -1.7080   15.781   18.580   16.278   70.706   33.309   94.357   39.554 -23.65129 51.71082 
1 1 1   -9    1   44 o   61.720   28.688  -1.5309   11.067  -9.5950   15.606   6.6270   15.697   63.138   30.623   77.233   35.263 -14.09550 46.70416 
1 1 1   -9    1   45 o   97.332   29.638   17.429   8.1437   18.279   11.449   16.559   11.586   93.031   34.985   89.225   34.775 3.805962 49.32766 
1 1 1   -9    1   46 o   55.555   25.464  -0.1013   8.2910   6.9621   11.053  -9.1900   12.538   70.197   30.998   55.590   27.072 14.60678 41.15597 
1 1 1   -9    2    1 o  289.184   8.0789  108.401   6.0517  105.011   8.4534  111.965   8.6673  284.504   11.471  293.777   11.390 -9.272675 16.16495 
1 1 1   -9    2    2 o  424.809   8.2749  233.931   9.1056  233.180   12.889  234.680   12.865  423.939   11.738  425.304   11.678 -1.365662 16.55733 
1 1 1   -9    2    3 o  327.425   8.2758  138.968   7.0189  140.798   10.021  137.205   9.8341  329.432   11.744  325.204   11.674 4.227875 16.55891 
1 1 1   -9    2    4 o  597.028   9.0651  462.105   14.019  469.019   20.005  455.433   19.652  601.178   12.846  592.410   12.806 8.767517 18.13922 
1 1 1   -9    2    5 o  494.631   12.028  317.406   15.410  341.400   22.254  295.300   21.361  512.579   16.761  476.666   17.300 35.91278 24.08780 
1 1 1   -9    2    6 o  394.121   9.8802  201.396   10.087  203.106   12.497  198.200   17.084  395.678   12.193  390.573   16.887 5.104645 20.82874 
1 1 1   -9    2    7 o  660.665   13.638  566.431   23.338  564.400   33.266  568.400   32.750  658.796   19.494  661.177   19.123 -2.380981 27.30737 
1 1 1   -9    2    8 f  461.766   8.8754  276.387   10.616  272.085   15.038  280.661   14.989  457.964   12.676  465.140   12.441 -7.175934 17.76120 
1 1 1   -9    2    9 o  408.397   8.9028  216.189   9.4180  219.890   13.416  212.592   13.224  411.715   12.580  404.823   12.611 6.891693 17.81281 
1 1 1   -9    2   10 o  431.863   9.0651  241.750   10.141  241.070   14.354  242.428   14.328  431.078   12.855  432.293   12.796 -1.215881 18.13784 
1 1 1   -9    2   11 o  480.713   9.3322  299.548   11.620  295.986   16.313  303.217   16.557  477.643   13.185  483.440   13.222 -5.796692 18.67253 
1 1 1   -9    2   12 o  139.523   17.817   25.700   6.2921   26.962   8.9369   24.460   8.8602  141.742   25.267  134.675   26.342 7.067047 36.50132 
1 1 1   -9    2   13 o  101.577   23.778   13.979   6.1458   17.212   8.5708   10.557   8.8176  112.694   29.144   92.745   31.119 19.94916 42.63511 
1 1 1   -9    2   14 o  167.399   14.494   36.647   6.2228   42.266   8.9118   31.300   8.6931  179.233   19.511  153.430   22.546 25.80267 29.81559 
1 1 1   -9    2   15 o  394.188   9.7931  201.469   9.9994  199.155   14.238  203.721   14.046  391.689   14.033  396.176   13.688 -4.486694 19.60316 
1 1 1   -9    2   16 o  242.794   21.331   77.360   13.279   77.360   13.279   0.0000   0.0000  242.794   21.331  ?   ?  0.000000 21.33108 
1 1 1   -9    2   17 o  352.709   12.081  161.438   11.038  139.300   19.819  171.390   13.289  325.897   23.639  363.289   14.122 -37.39188 27.53579 
1 1 1   -9    2   18 o  140.040   17.959   25.932   6.3644   28.483   9.1645   23.556   8.8452  145.591   25.214  131.839   26.814 13.75200 36.80689 
1 1 1   -9    2   19 o  867.240   11.228  976.059   25.223  957.654   35.358  995.131   35.992  858.153   15.906  874.789   15.884 -16.63531 22.47922 
1 1 1   -9    2   20 o  167.369   15.967   36.771   6.8382   40.906   9.7505   32.769   9.5927  175.649   21.907  156.424   24.477 19.22557 32.84870 
1 1 1   -9    2   21 o  659.877   10.363  565.151   17.714  568.117   25.289  562.293   24.820  660.886   14.773  657.528   14.572 3.358032 20.75058 
1 1 1   -9    2   22 o  295.252   11.776  113.250   9.0060  109.368   12.837  117.012   12.638  289.144   17.217  299.252   16.366 -10.10764 23.75479 
1 1 1   -9    2   23 o  264.085   12.165   90.662   8.3216   97.375   12.117   84.669   11.449  272.643   17.246  254.115   17.500 18.52869 24.56948 
1 1 1   -9    2   24 o  337.484   11.410  148.072   9.9741  142.139   14.200  153.851   14.013  329.531   16.690  343.418   15.753 -13.88690 22.94994 
1 1 1   -9    2   25 o  139.162   20.313   25.947   7.1065   23.280   10.638   28.096   9.5497  129.338   31.943  143.386   26.694 -14.04781 41.62846 
1 1 1   -9    2   26 o  234.482   33.346   75.720   19.683   75.720   19.683   0.0000   0.0000  234.482   33.346  ?   ?  0.000000 33.34591 
1 1 1   -9    2   27 o  316.200   11.262  130.296   9.2246  131.787   13.533  129.002   12.607  316.456   16.567  313.760   15.512 2.696625 22.69563 
1 1 1   -9    2   28 o  170.452   17.720   38.696   7.7094   41.733   11.066   35.832   10.747  174.766   25.169  161.195   26.671 13.57072 36.67205 
1 1 1   -9    2   29 o  292.666   12.230  112.029   9.2712  108.797   13.512  114.905   12.745  286.132   18.327  294.686   16.765 -8.554016 24.83865 
1 1 1   -9    2   30 o  189.415   16.348   47.714   7.9426   51.334   11.266   44.136   11.199  194.208   22.831  179.120   24.803 15.08876 33.71157 
1 1 1   -9    2   31 o  105.736   24.191   15.735   6.4820   16.433   9.1818   15.041   9.1523  106.985   31.205  102.839   31.442 4.146278 44.29868 
1 1 1   -9    2   32 o  137.838   21.530   26.200   7.4356   22.024   10.380   30.601   10.656  122.317   32.288  145.860   29.223 -23.54308 43.54886 
1 1 1   -9    2   33 f  171.322   17.879   39.694   7.8173   36.334   11.266   42.813   10.856  158.925   28.411  174.836   24.655 -15.91106 37.61694 
1 1 1   -9    2   34 o  121.654   26.272   21.453   8.0368   5.7380   13.379   30.325   10.053   85.898   35.922  144.363   27.892 -58.46498 45.47964 
1 1 1   -9    2   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9    2   36 o   58.316   24.355   1.8795   6.1379   5.6680   9.4955  -0.8395   8.0444   76.120   30.879   59.577   26.370 16.54232 40.60628 
1 1 1   -9    2   37 o   64.547   26.207   3.6456   6.8462   3.8764   9.1591   3.3533   10.306   71.164   29.738   72.956   31.067 -1.792793 43.00631 
1 1 1   -9    2   38 o  125.248   23.824   23.043   7.4467   23.913   9.9252   21.923   11.264  122.771   31.158  115.103   34.813 7.668213 46.71999 
1 1 1   -9    2   39 o  173.160   21.795   43.190   9.5593   35.389   11.654   59.230   16.712  148.977   31.200  189.037   35.431 -40.06067 47.21025 
1 1 1   -9    2   40 o   48.471   23.168  -8.2803   8.1951  -9.7012   9.8945  -5.1760   14.625   52.795   25.294   69.401   32.495 -16.60576 41.17892 
1 1 1   -9    2   41 o  148.659   25.506   34.110   9.4680   30.544   12.151   39.620   15.105  130.622   35.143  144.042   39.363 -13.41995 52.76817 
1 1 1   -9    2   42 o   54.785   25.454  -3.4945   8.6991  -4.1373   12.104  -2.8079   12.510   62.829   29.464   65.089   30.336 -2.259171 42.28934 
1 1 1   -9    2   43 o   61.952   28.945  -2.8416   11.501   0.8741   15.640  -7.2170   16.972   72.756   33.913   68.024   32.730 4.732147 47.13093 
1 1 1   -9    2   44 o  117.540   35.156   27.491   11.534   27.700   21.725   27.409   13.610   99.862   43.800  111.206   38.627 -11.34465 58.39987 
1 1 1   -9    2   45 o   52.469   24.693  -3.7399   8.6327   5.7937   12.087 -13.6678   12.334   71.136   31.851   52.940   26.005 18.19601 41.11853 
1 1 1   -9    2   46 o   49.619   23.663  -5.1092   8.4481 -16.2449   12.919   3.2097   11.166   51.651   25.602   65.056   29.719 -13.40493 39.22538 
1 1 1   -9    3    1 o  403.680   8.2089  211.229   8.5837  206.289   12.090  216.250   12.189  398.761   11.705  408.285   11.525 -9.524078 16.42665 
1 1 1   -9    3    2 o  322.582   8.1695  134.882   6.8263  138.583   9.7394  131.309   9.5704  326.846   11.504  318.147   11.613 8.698669 16.34632 
1 1 1   -9    3    3 o  205.681   8.8088   54.842   4.6931   53.207   6.6338   56.481   6.6403  202.090   12.738  208.272   12.364 -6.181519 17.75158 
1 1 1   -9    3    4 o  279.500   11.265  101.328   8.1556   95.320   11.204  108.100   11.894  270.405   16.068  288.029   16.006 -17.62314 22.67955 
1 1 1   -9    3    5 o  320.476   9.7545  133.162   8.0975  124.794   9.9679  149.400   13.886  310.141   12.408  339.158   15.806 -29.01733 20.09409 
1 1 1   -9    3    6 o  327.188   8.6276  138.761   7.3120  144.915   10.381  132.702   10.301  334.238   11.990  319.826   12.434 14.41232 17.27352 
1 1 1   -9    3    7 o  752.483   14.419  734.966   28.106  729.500   39.992  740.300   39.508  748.823   20.618  754.410   20.218 -5.587463 28.87627 
1 1 1   -9    3    8 f  765.564   10.144  759.875   20.116  769.903   28.781  750.299   28.128  770.183   14.427  760.330   14.282 9.852661 20.30021 
1 1 1   -9    3    9 o  543.282   9.1842  382.594   12.925  371.282   18.146  394.242   18.413  534.957   13.095  551.263   12.895 -16.30664 18.37836 
1 1 1   -9    3   10 o   77.504   20.829   8.0786   4.2712   14.689   6.1788   2.0288   5.9109  104.169   23.463   60.450   24.418 43.71811 33.86382 
1 1 1   -9    3   11 o   28.561   14.213 -10.5238   4.1400 -12.3989   5.8397  -8.6292   5.8700   36.068   17.752   40.326   19.363 -4.257782 26.26919 
1 1 1   -9    3   12 o  692.109   10.386  621.072   18.620  626.670   26.579  615.677   26.093  694.835   14.767  688.729   14.626 6.106506 20.78443 
1 1 1   -9    3   13 o  429.849   9.9484  239.553   11.077  248.285   15.880  231.278   15.458  437.391   14.017  422.137   14.137 15.25372 19.90792 
1 1 1   -9    3   14 o  569.690   9.8374  420.787   14.517  417.361   20.486  424.243   20.574  567.060   13.947  571.721   13.893 -4.661072 19.68553 
1 1 1   -9    3   15 o  419.051   10.854  227.750   11.782  227.500   19.840  227.887   14.644  418.285   18.311  419.018   13.492 -0.7332153 22.74481 
1 1 1   -9    3   16 o  615.432   14.198  491.804   22.634  491.804   22.634   0.0000   0.0000  615.432   14.198  ?   ?  0.000000 14.19814 
1 1 1   -9    3   17 o  538.345   11.469  376.033   15.993  351.600   28.239  387.570   19.405  519.461   20.987  546.329   13.712 -26.86829 25.06916 
1 1 1   -9    3   18 o  112.477   21.991   17.065   6.1774   12.686   8.8547   21.218   8.6223   98.780   31.048  124.912   27.402 -26.13261 41.41043 
1 1 1   -9    3   19 o  740.963   10.631  712.390   20.405  721.480   29.301  703.832   28.432  744.959   15.184  735.840   14.917 9.118958 21.28539 
1 1 1   -9    3   20 o  584.660   10.063  443.531   15.240  435.315   21.537  451.770   21.569  578.670   14.368  589.542   14.124 -10.87256 20.14780 
1 1 1   -9    3   21 o  199.462   14.134   51.992   7.2553   52.012   10.303   51.972   10.218  198.561   20.319  198.513   20.151 0.4808044E-01 28.61662 
1 1 1   -9    3   22 o  153.999   17.957   31.350   7.0287   29.489   9.9941   33.171   9.8868  147.437   27.170  157.038   25.154 -9.601318 37.02643 
1 1 1   -9    3   23 o  226.824   13.893   67.215   8.1236   60.503   11.318   74.346   11.667  213.992   20.676  237.722   19.108 -23.73015 28.15359 
1 1 1   -9    3   24 o  650.127   10.489  549.223   17.664  547.554   24.879  550.919   25.084  648.076   14.821  650.042   14.897 -1.966675 21.01354 
1 1 1   -9    3   25 o  327.623   13.141  139.867   11.152  162.600   18.601  127.107   13.935  351.139   20.540  311.151   17.359 39.98773 26.89235 
1 1 1   -9    3   26 o  250.203   33.310   86.140   21.052   86.140   21.052   0.0000   0.0000  250.203   33.310  ?   ?  0.000000 33.31049 
1 1 1   -9    3   27 o  136.718   21.143   25.290   7.2458   17.246   10.613   32.312   9.9164  111.470   33.811  153.498   25.859 -42.02815 42.56638 
1 1 1   -9    3   28 o  224.280   13.994   66.144   8.0892   52.738   11.709   78.386   11.189  197.415   23.349  243.115   17.893 -45.70027 29.41672 
1 1 1   -9    3   29 o  138.048   20.477   25.876   7.1004   12.702   10.514   36.922   9.6273   98.345   33.963  164.437   23.251 -66.09237 41.15918 
1 1 1   -9    3   30 o  233.564   14.083   71.956   8.4804   75.906   11.969   67.973   12.018  237.941   19.593  224.556   20.901 13.38510 28.64825 
1 1 1   -9    3   31 o  153.670   17.623   31.760   6.8881   32.964   9.8269   30.596   9.6578  153.622   25.596  147.629   26.216 5.993317 36.63892 
1 1 1   -9    3   32 o  118.608   23.789   19.794   7.0542   18.131   9.7282   21.638   10.244  111.290   32.023  121.200   32.116 -9.910614 45.35286 
1 1 1   -9    3   33 o  192.881   16.684   49.983   8.2536   45.810   14.476   51.993   10.047  175.898   32.983  195.171   20.163 -19.27255 38.65755 
1 1 1   -9    3   34 o   68.385   27.535   3.9901   7.4904   10.080   12.597   0.6595   9.3161   92.090   36.155   67.133   29.073 24.95741 46.39402 
1 1 1   -9    3   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9    3   36 o  237.704   14.510   75.905   8.8915   70.276   12.401   81.859   12.755  223.854   21.658  242.671   20.483 -18.81755 29.80953 
1 1 1   -9    3   37 o  201.194   15.612   54.967   8.0726   58.322   11.144   51.263   11.709  203.212   21.498  188.046   24.631 15.16573 32.69360 
1 1 1   -9    3   38 o  137.610   22.618   27.439   7.7820   27.451   11.268   27.429   10.760  129.930   33.321  130.937   31.997 -1.007217 46.19629 
1 1 1   -9    3   39 o   67.143   27.686   4.1156   7.7898  -3.7928   11.084   11.833   10.950   63.250   29.157   88.935   34.033 -25.68478 44.81455 
1 1 1   -9    3   40 o  130.538   27.061   26.552   8.8499   41.739   12.246   9.9520   12.804  161.109   30.461   85.528   35.401 75.58150 46.70213 
1 1 1   -9    3   41 o   51.156   24.490  -8.5908   9.2366 -14.3842   11.351   2.7640   15.891   52.463   25.596   77.956   35.550 -25.49242 43.80554 
1 1 1   -9    3   42 o  132.477   27.751   28.639   9.2178   36.220   11.635   15.860   15.105  144.664   31.907   92.267   38.342 52.39732 49.88200 
1 1 1   -9    3   43 o   73.616   32.039   6.3347   11.427   18.380   14.903 -10.8500   17.800   94.071   38.484   66.682   32.425 27.38889 50.32281 
1 1 1   -9    3   44 o   55.237   26.338  -6.1566   10.456   0.2971   18.483  -9.1946   12.681   73.824   35.150   57.677   27.885 16.14738 44.86720 
1 1 1   -9    3   45 o  102.531   30.718   19.859   8.8000   8.2340   12.530   31.175   12.362   74.626   32.977  120.995   36.443 -46.36945 49.14851 
1 1 1   -9    3   46 o   63.795   27.779   4.8319   8.5982   7.0832   11.314   1.7545   13.228   70.206   31.164   65.818   30.845 4.388466 43.84763 
1 1 1   -9    4    1 o  535.136   10.203  371.348   14.144  363.300   25.046  375.116   17.138  528.589   18.292  537.695   12.305 -9.105957 22.04573 
1 1 1   -9    4    2 o  480.204   8.5322  298.911   10.613  289.172   14.936  308.844   15.083  472.105   12.213  487.918   11.934 -15.81314 17.07631 
1 1 1   -9    4    3 o  345.252   11.066  154.599   9.8963  155.100   14.015  154.100   13.976  345.568   15.657  344.452   15.664 1.116211 22.14738 
1 1 1   -9    4    4 o  224.061   10.160   65.096   5.8969   64.842   7.5676   65.490   9.4091  223.149   13.150  223.941   16.333 -0.7920074 20.96900 
1 1 1   -9    4    5 o  1084.95   12.194  1527.02   34.270  1523.11   48.472  1530.92   48.458  1082.67   17.284  1085.45   17.235 -2.783691 24.40830 
1 1 1   -9    4    6 o  424.018   8.7048  233.045   9.5607  238.152   13.686  228.178   13.362  428.463   12.331  419.397   12.300 9.066132 17.41666 
1 1 1   -9    4    7 o  848.398   12.367  933.705   27.177  905.300   46.775  948.182   33.391  834.027   21.651  854.619   15.084 -20.59186 26.38735 
1 1 1   -9    4    8 o  545.979   9.1211  386.402   12.900  390.593   18.467  382.408   18.026  548.694   12.994  542.927   12.818 5.766968 18.25164 
1 1 1   -9    4    9 o  287.172   9.3109  106.901   6.9261  107.511   9.9581  106.329   9.6395  287.858   13.355  286.284   12.999 1.574493 18.63681 
1 1 1   -9    4   10 o  406.758   9.1978  214.466   9.6911  214.210   13.941  214.705   13.481  406.331   13.246  406.824   12.792 -0.4928894 18.41460 
1 1 1   -9    4   11 o  572.274   9.8088  424.569   14.540  415.800   20.651  433.189   20.475  566.043   14.085  577.791   13.681 -11.74762 19.63533 
1 1 1   -9    4   12 o  432.864   9.9697  242.922   11.179  238.468   15.978  247.192   15.645  428.641   14.390  436.446   13.839 -7.804962 19.96482 
1 1 1   -9    4   13 o  543.815   9.8589  383.421   13.888  385.887   19.975  381.113   19.322  545.261   14.142  541.908   13.765 3.352600 19.73531 
1 1 1   -9    4   14 o  727.523   10.375  686.349   19.551  679.277   27.667  693.403   27.631  723.310   14.767  730.813   14.596 -7.502808 20.76325 
1 1 1   -9    4   15 o  854.186   15.323  947.686   33.904  954.700   47.994  940.700   47.901  856.128   21.642  849.801   21.761 6.326904 30.69071 
1 1 1   -9    4   16 o  680.804   11.828  601.394   20.859  624.649   25.968  559.100   35.020  693.529   14.455  655.205   20.634 38.32379 25.19372 
1 1 1   -9    4   17 f  606.136   11.654  476.757   18.298  480.000   33.057  475.324   21.971  606.879   21.028  604.964   14.020 1.914246 25.27382 
1 1 1   -9    4   18 o   92.802   24.462   11.662   5.9636   8.3128   8.4654   14.961   8.4027   85.537   30.403  105.315   29.581 -19.77828 42.41958 
1 1 1   -9    4   19 o  733.269   10.600  697.706   20.134  709.626   29.056  686.696   27.924  738.769   15.184  726.800   14.832 11.96899 21.22622 
1 1 1   -9    4   20 o   87.021   25.362   10.116   6.0671  -1.1520   8.4252   22.252   8.7439   63.663   27.609  127.828   27.241 -64.16550 38.78541 
1 1 1   -9    4   21 o  270.822   11.815   95.268   8.2884   93.229   11.486   97.484   11.972  267.009   16.691  273.009   17.014 -5.999847 23.83429 
1 1 1   -9    4   22 o  409.240   10.631  217.485   11.269  206.834   16.119  227.670   15.762  398.483   15.616  418.229   14.550 -19.74655 21.34355 
1 1 1   -9    4   23 o  570.426   10.289  422.623   15.203  414.025   21.777  430.797   21.233  563.714   14.914  575.167   14.252 -11.45306 20.62865 
1 1 1   -9    4   24 o  526.234   10.370  359.861   14.136  352.839   20.532  366.190   19.491  520.066   15.241  530.067   14.196 -10.00098 20.82822 
1 1 1   -9    4   25 o   87.244   30.826   9.0670   8.6900   5.9920   11.562   13.060   13.175   86.882   34.469  104.990   37.862 -18.10822 51.20171 
1 1 1   -9    4   26 o  125.080   34.053   22.009   11.329   4.6590   20.334   29.820   13.643  104.473   44.022  144.833   36.407 -40.35938 57.12640 
1 1 1   -9    4   27 o  427.700   10.884  238.386   12.059  247.770   17.517  229.933   16.625  434.642   15.559  418.783   15.326 15.85910 21.83913 
1 1 1   -9    4   28 o  305.445   11.796  121.855   9.3327  120.735   13.290  122.944   13.109  302.209   17.046  305.111   16.650 -2.901764 23.82849 
1 1 1   -9    4   29 o  219.468   13.881   63.455   7.8506   64.545   11.460   62.492   10.777  219.236   20.414  216.040   19.467 3.195831 28.20804 
1 1 1   -9    4   30 o  186.985   15.473   46.416   7.4271   39.956   10.063   54.146   11.008  170.706   23.371  199.860   21.607 -29.15381 31.82835 
1 1 1   -9    4   31 o  142.812   18.702   27.631   6.7521   27.557   9.4520   27.708   9.6488  139.462   27.141  139.648   27.652 -0.1856842 38.74677 
1 1 1   -9    4   32 o  154.031   20.532   32.484   7.9879   46.230   12.602   23.252   10.328  180.561   27.839  125.602   31.732 54.95945 42.21341 
1 1 1   -9    4   33 o  173.260   18.321   40.738   8.0977   44.990   14.017   38.609   9.9205  174.559   32.187  166.133   23.727 8.425980 39.98687 
1 1 1   -9    4   34 f   81.039   29.393   8.5201   7.9566   15.270   13.262   4.7243   9.9453  103.159   37.867   76.303   31.352 26.85578 49.16118 
1 1 1   -9    4   35 o  121.620   46.033   24.740   19.896   24.740   19.896   0.0000   0.0000  121.620   46.033  ?   ?  0.000000 46.03280 
1 1 1   -9    4   36 o   51.679   23.531  -2.9813   6.9284 -11.0818   9.9029   4.7856   9.6969   52.842   25.314   74.566   30.831 -21.72437 39.89170 
1 1 1   -9    4   37 o  175.322   17.309   42.292   7.7579   47.393   11.541   38.086   10.479  179.917   25.475  160.599   26.084 19.31795 36.46051 
1 1 1   -9    4   38 f   84.267   29.131   10.544   7.7361  -2.2219   10.636   24.886   11.273   64.513   29.289  122.645   34.198 -58.13187 45.02646 
1 1 1   -9    4   39 o  389.204   11.912  202.312   12.010  174.308   16.526  233.653   17.483  353.983   18.084  412.779   16.351 -58.79507 24.37957 
1 1 1   -9    4   40 o  204.459   17.368   58.500   9.1114   72.905   13.197   45.380   12.595  222.087   23.287  168.313   29.989 53.77390 37.96830 
1 1 1   -9    4   41 o   59.114   26.077   0.8201   7.8016  -3.1765   11.637   4.0830   10.515   63.467   29.472   70.881   30.791 -7.414063 42.62306 
1 1 1   -9    4   42 f   57.388   26.737  -3.5267   9.7032  -5.6272   11.912   0.6151   16.727   60.596   28.666   74.957   34.983 -14.36103 45.22818 
1 1 1   -9    4   43 o  177.236   40.431   64.360   18.151   64.360   18.151   0.0000   0.0000  177.236   40.431  ?   ?  0.000000 40.43129 
1 1 1   -9    4   44 o   61.359   27.612   1.4399   9.2091  -0.3492   12.938   3.2774   13.111   65.986   30.786   70.194   32.118 -4.207947 44.48994 
1 1 1   -9    4   45 o   83.860   30.211   13.231   8.3853   20.723   11.556   4.9007   12.186   97.381   35.408   69.586   31.496 27.79493 47.38860 
1 1 1   -9    4   46 o   59.987   27.069   2.3237   8.9230   1.7867   12.707   2.8460   12.533   64.901   30.356   65.808   30.568 -0.9071579 43.08033 
1 1 1   -9    5    1 o  662.466   13.033  569.470   22.365   0.0000   0.0000  569.470   22.365  ?   ?   662.466   13.033 0.000000 13.03307 
1 1 1   -9    5    2 f  548.664   12.642  390.576   17.967  413.100   27.316  373.400   23.853  563.669   18.708  536.063   17.178 27.60590 25.39879 
1 1 1   -9    5    3 o  576.306   9.0805  430.548   13.555  439.135   19.461  422.456   18.892  581.755   12.915  570.611   12.781 11.14453 18.17016 
1 1 1   -9    5    4 o  588.536   9.1935  449.019   14.015  452.525   19.967  445.613   19.678  590.554   13.053  586.034   12.963 4.519897 18.39592 
1 1 1   -9    5    5 o  761.029   10.099  750.922   19.909  765.357   28.607  737.364   27.724  767.881   14.383  753.728   14.200 14.15283 20.21138 
1 1 1   -9    5    6 o  308.097   10.644  123.086   8.4949  123.995   10.257  121.100   15.157  309.151   12.809  304.583   19.311 4.567444 23.17268 
1 1 1   -9    5    7 o  625.453   9.5276  507.124   15.436  514.253   22.255  500.514   21.427  629.526   13.648  621.088   13.319 8.438110 19.06981 
1 1 1   -9    5    8 o  657.424   9.7069  560.305   16.530  556.529   23.479  564.016   23.276  654.882   13.841  659.292   13.630 -4.409729 19.42542 
1 1 1   -9    5    9 o  562.430   13.223  410.414   19.265   0.0000   0.0000  410.414   19.265  ?   ?   562.430   13.223 0.000000 13.22330 
1 1 1   -9    5   10 o  387.133   9.6945  194.291   9.7215  199.041   14.146  190.039   13.382  391.639   13.944  382.703   13.499 8.935577 19.40831 
1 1 1   -9    5   11 o  854.728   11.150  947.391   24.687  942.164   34.918  952.616   34.908  851.817   15.825  856.542   15.734 -4.724609 22.31556 
1 1 1   -9    5   12 o  1250.12   13.680  2028.08   44.299  2042.18   63.223  2014.48   62.090  1253.19   19.476  1244.72   19.258 8.472046 27.38948 
1 1 1   -9    5   13 o  780.367   10.631  789.703   21.490  794.488   30.786  785.156   30.011  782.215   15.194  777.646   14.899 4.569153 21.27991 
1 1 1   -9    5   14 o  284.354   11.498  104.886   8.4687  110.400   13.991  101.697   10.639  290.769   18.675  279.471   14.749 11.29831 23.79652 
1 1 1   -9    5   15 o  893.834   13.030  1036.97   30.168  1030.79   37.115  1049.00   51.791  890.666   16.087  897.152   22.286 -6.485291 27.48596 
1 1 1   -9    5   16 o  706.649   12.137  648.036   22.216  657.482   27.476  630.200   37.755  711.418   14.910  695.477   20.958 15.94049 25.72038 
1 1 1   -9    5   17 o  400.423   10.085  207.975   10.460  208.212   15.180  207.760   14.434  400.320   14.640  399.944   13.933 0.3763733 20.20988 
1 1 1   -9    5   18 o   83.987   25.038   9.3379   5.8573   13.902   8.2768   4.7594   8.2902  101.863   29.604   75.802   29.451 26.06105 41.75782 
1 1 1   -9    5   19 o  342.809   10.682  152.510   9.4857  159.828   13.616  145.610   13.222  350.595   14.993  334.615   15.255 15.98099 21.38950 
1 1 1   -9    5   20 o  505.001   10.154  330.964   13.283  330.834   19.069  331.086   18.512  504.362   14.596  504.615   14.163 -0.2528992 20.33798 
1 1 1   -9    5   21 o   55.806   23.835  -0.1162   6.0986   2.0031   8.9880  -1.9246   8.3023   71.766   29.679   61.715   27.073 10.05109 40.17170 
1 1 1   -9    5   22 o  454.378   10.374  268.105   12.210  269.997   17.677  266.379   16.885  455.325   14.988  452.358   14.410 2.967438 20.79145 
1 1 1   -9    5   23 o  273.239   12.660   97.134   8.9604   99.486   12.876   94.925   12.478  275.291   18.158  268.907   18.018 6.383820 25.58046 
1 1 1   -9    5   24 o  350.923   11.462  160.183   10.419  160.815   14.905  159.579   14.570  350.824   16.402  349.530   16.092 1.293427 22.97815 
1 1 1   -9    5   25 o  378.467   14.421  187.021   14.138  187.400   19.488  186.600   20.541  376.935   20.031  375.725   21.192 1.210449 29.16084 
1 1 1   -9    5   26 o  194.206   25.009   51.015   12.289   33.070   21.158   60.150   15.096  151.315   48.045  209.880   28.505 -58.56541 55.86418 
1 1 1   -9    5   27 o  285.707   12.274  106.593   9.0837  111.644   12.816  101.494   12.877  290.807   17.089  276.920   18.050 13.88675 24.85619 
1 1 1   -9    5   28 f  204.187   14.304   54.955   7.5179   61.722   10.175   46.818   11.156  215.263   18.425  185.493   23.766 29.76959 30.07168 
1 1 1   -9    5   29 o  201.280   13.923   53.442   7.2143   51.326   10.485   55.344   9.9417  194.961   21.099  203.252   19.108 -8.290588 28.46493 
1 1 1   -9    5   30 o  470.011   14.910  291.187   18.153   0.0000   0.0000  291.187   18.153  ?   ?   470.011   14.910 0.000000 14.91011 
1 1 1   -9    5   31 o  311.115   12.679  127.169   10.218  128.700   15.959  126.106   13.302  309.132   20.038  307.766   16.748 1.365875 26.11566 
1 1 1   -9    5   32 o  390.635   12.172  200.617   12.317  223.200   21.025  188.817   15.197  406.971   19.944  377.202   15.554 29.76840 25.29227 
1 1 1   -9    5   33 o  120.311   24.526   20.662   7.3841   19.482   10.614   21.768   10.280  113.659   33.664  120.324   32.303 -6.665398 46.65534 
1 1 1   -9    5   34 o  237.029   15.592   75.423   9.5195   73.810   15.804   76.341   11.926  226.377   27.518  236.046   19.684 -9.669434 33.83352 
1 1 1   -9    5   35 o   75.533   32.343   2.9943   11.282   14.130   19.122  -2.9520   13.973  104.536   43.265   73.870   33.550 30.66679 54.74953 
1 1 1   -9    5   36 o  211.386   14.757   60.254   8.0294   64.437   11.992   56.855   10.810  213.668   21.981  201.292   21.043 12.37558 30.43044 
1 1 1   -9    5   37 o  168.378   18.272   39.344   7.8416   28.975   10.360   53.253   11.999  136.678   30.079  191.153   24.818 -54.47491 38.99613 
1 1 1   -9    5   38 o  125.358   23.591   23.160   7.3793   26.493   11.132   20.547   9.8557  126.965   33.401  112.421   32.198 14.54427 46.39339 
1 1 1   -9    5   39 o   92.887   28.717   13.644   7.6104   9.6170   11.098   17.219   10.456   83.923   33.614  101.282   33.888 -17.35876 47.73117 
1 1 1   -9    5   40 o   89.382   28.671   12.847   7.5202   27.400   11.627   2.3805   9.8603  124.786   34.708   67.623   29.588 57.16333 45.60786 
1 1 1   -9    5   41 o  111.060   27.695   20.116   7.9399   19.867   10.191   20.502   12.666  105.270   33.335  103.396   37.142 1.874718 49.90769 
1 1 1   -9    5   42 o   98.833   29.849   16.987   8.2847   12.150   12.022   21.363   11.433   84.686   34.595  104.979   35.435 -20.29334 49.52185 
1 1 1   -9    5   43 f  110.395   41.929   29.690   16.543   29.690   16.543   0.0000   0.0000  110.395   41.929  ?   ?  0.000000 41.92948 
1 1 1   -9    5   44 o  101.967   33.787   20.825   10.400   11.529   13.677   33.570   16.014   80.878   35.126  115.818   41.747 -34.94050 54.55840 
1 1 1   -9    5   45 o   98.356   34.479   20.741   10.855   15.270   13.310   31.610   18.760   84.339   35.581  102.349   42.647 -18.01050 55.54118 
1 1 1   -9    5   46 o   38.967   19.470 -16.0624   8.1103 -24.3333   12.358  -9.8053   10.749   45.757   23.025   50.691   24.770 -4.934097 33.81833 
1 1 1   -9    6    1 o  276.252   8.8151   98.922   6.3079   96.140   14.521   99.569   7.0032  271.029   20.843  277.128   9.7558 -6.098328 23.01332 
1 1 1   -9    6    2 o  219.685   9.3275   62.564   5.3078   71.840   12.784   60.632   5.8344  233.990   21.327  216.242   10.416 17.74890 23.73481 
1 1 1   -9    6    3 o  739.657   10.002  709.325   19.163  695.700   38.889  713.694   22.022  731.267   20.531  741.808   11.461 -10.54108 23.51278 
1 1 1   -9    6    4 o  624.419   9.4045  505.449   15.211  506.109   21.616  504.802   21.409  624.529   13.362  623.732   13.251 0.7974243 18.81840 
1 1 1   -9    6    5 o  464.544   8.8870  279.726   10.694  290.948   15.495  269.520   14.777  473.571   12.631  455.805   12.516 17.76572 17.78201 
1 1 1   -9    6    6 o  980.234   16.586  1247.98   42.114  1236.00   59.514  1260.00   59.604  974.111   23.586  983.569   23.395 -9.457275 33.22093 
1 1 1   -9    6    7 f  753.274   10.199  735.676   19.901  727.548   28.127  743.824   28.160  748.695   14.503  757.039   14.360 -8.343933 20.41005 
1 1 1   -9    6    8 o  180.089   11.591   42.236   5.3783   40.356   7.7650   43.969   7.4566  175.406   17.316  183.338   15.858 -7.931366 23.48002 
1 1 1   -9    6    9 o  447.794   9.5496  259.944   11.077  272.329   16.104  248.823   15.260  458.121   13.571  437.911   13.453 20.21017 19.10889 
1 1 1   -9    6   10 o  293.162   11.130  111.453   8.4516  117.387   12.143  105.877   11.770  300.272   15.667  285.095   16.003 15.17749 22.39531 
1 1 1   -9    6   11 o  593.798   10.001  457.147   15.382  458.234   21.940  456.097   21.572  594.179   14.255  592.810   14.048 1.369202 20.01379 
1 1 1   -9    6   12 o  337.007   10.098  147.260   8.8147  144.327   12.611  150.063   12.325  333.429   14.602  340.023   13.994 -6.593994 20.22489 
1 1 1   -9    6   13 o  501.209   9.7438  325.715   12.650  321.518   18.078  329.742   17.708  497.675   14.023  504.036   13.563 -6.361298 19.50923 
1 1 1   -9    6   14 o  653.267   13.746  554.012   23.260  539.900   32.358  569.100   33.458  644.147   19.393  661.315   19.532 -17.16766 27.52413 
1 1 1   -9    6   15 o  953.766   11.668  1180.29   28.827  1170.86   40.745  1189.74   40.789  949.075   16.574  956.722   16.459 -7.646851 23.35807 
1 1 1   -9    6   16 o  262.493   17.778   90.049   12.017  101.200   18.272   81.550   15.952  277.058   25.755  248.576   25.120 28.48172 35.97670 
1 1 1   -9    6   17 o  550.581   9.9986  393.220   14.260  389.222   20.466  396.992   19.880  547.316   14.436  552.819   13.883 -5.503174 20.02805 
1 1 1   -9    6   18 o  905.777   11.530  1064.97   27.053  1060.82   38.396  1069.07   38.123  902.969   16.416  906.518   16.235 -3.548401 23.08815 
1 1 1   -9    6   19 o  696.032   10.546  628.747   19.013  633.861   27.290  623.922   26.506  698.102   15.091  692.668   14.773 5.433472 21.11835 
1 1 1   -9    6   20 o  356.810   10.943  165.297   10.114  155.341   14.231  175.458   14.377  345.425   15.905  367.203   15.115 -21.77869 21.94217 
1 1 1   -9    6   21 o   76.356   25.758   7.1687   6.0416  -3.3708   8.5399   17.729   8.5483   60.224   26.882  113.748   28.942 -53.52397 39.50062 
1 1 1   -9    6   22 o   97.553   25.918   12.983   6.6604   13.795   9.2620   12.113   9.5848  101.989   31.705   97.631   32.439 4.357491 45.35959 
1 1 1   -9    6   23 o  290.929   11.905  110.088   8.9713  111.365   12.690  108.812   12.685  291.513   16.877  288.102   17.074 3.410980 24.00750 
1 1 1   -9    6   24 o  138.184   21.955   25.736   7.5957   35.990   12.125   19.111   9.7450  161.783   30.039  117.409   31.423 44.37379 43.47064 
1 1 1   -9    6   25 o  585.389   12.401  446.670   18.804  442.344   23.325  454.700   31.780  581.512   15.485  587.197   20.894 -5.684753 26.00633 
1 1 1   -9    6   26 o  236.014   16.181   73.405   9.8322   91.540   21.824   68.787   11.013  256.988   33.589  227.732   18.839 29.25591 38.51109 
1 1 1   -9    6   27 o  171.357   17.863   39.126   7.8123   47.209   11.096   31.180   11.001  186.648   23.469  149.146   29.521 37.50197 37.71320 
1 1 1   -9    6   28 o  110.734   24.748   17.128   6.9200   16.062   9.4082   18.384   10.214  106.731   31.713  113.592   32.850 -6.861282 45.65991 
1 1 1   -9    6   29 o   95.296   25.286   12.756   6.3449   17.365   9.5351   9.0936   8.4999  110.178   31.704   85.498   30.457 24.67992 43.96308 
1 1 1   -9    6   30 o   46.257   21.634  -5.8379   6.4516   6.8990   9.1778 -18.2800   9.0710   80.954   31.115   44.771   22.053 36.18340 38.13739 
1 1 1   -9    6   31 o  191.965   16.570   49.286   8.1586   49.790   12.400   48.902   10.834  188.735   26.059  188.700   22.615 0.3526306E-01 34.50420 
1 1 1   -9    6   32 o  334.272   15.660  148.494   13.560   0.0000   0.0000  148.494   13.560  ?   ?   334.272   15.660 0.000000 15.66028 
1 1 1   -9    6   33 o   43.828   20.866  -7.5294   6.5108 -12.9908   8.7155  -0.6329   9.7939   47.321   22.936   66.574   29.299 -19.25343 37.20887 
1 1 1   -9    6   34 o   85.664   30.341   10.093   8.4236   0.0490   10.832   25.460   13.398   70.151   30.845  125.824   37.950 -55.67271 48.90366 
1 1 1   -9    6   35 o  146.781   23.937   30.972   8.7872   24.160   15.182   34.404   10.776  120.095   40.831  151.953   28.422 -31.85803 49.74885 
1 1 1   -9    6   36 o  113.591   25.551   19.188   7.3358   18.778   9.9687   19.673   10.834  108.787   32.717  110.562   34.277 -1.775436 47.38451 
1 1 1   -9    6   37 o   80.456   27.586   9.3872   6.9307   21.023   10.419   0.1503   9.2825  113.732   33.260   64.369   28.417 49.36325 43.74660 
1 1 1   -9    6   38 o   99.124   28.844   15.456   7.8531   14.791   11.706   16.000   10.590   96.108   35.526   98.978   34.090 -2.870148 49.23640 
1 1 1   -9    6   39 o   76.780   28.104   8.4812   7.2979   12.814   11.487   5.5490   9.4503   90.375   34.791   73.127   30.353 17.24800 46.17035 
1 1 1   -9    6   40 o   83.210   29.689   10.934   8.0800   17.510   11.581   4.6983   11.278   99.077   35.524   73.807   31.976 25.26944 47.79559 
1 1 1   -9    6   41 o   92.793   29.668   14.610   8.0571   26.846   12.463   5.8249   10.560  118.109   36.788   73.222   31.321 44.88641 48.31562 
1 1 1   -9    6   42 o   62.636   27.688   2.0265   8.8405   2.3519   12.233   1.6708   12.790   69.543   31.509   69.613   31.802 -0.6967926E-01 44.76856 
1 1 1   -9    6   43 o   84.501   35.172   13.222   12.741   13.222   12.741   0.0000   0.0000   84.501   35.172  ?   ?  0.000000 35.17245 
1 1 1   -9    6   44 f   82.003   32.272   12.610   10.059   6.2189   11.920   28.420   18.747   71.774   31.918  100.803   42.362 -29.02905 53.04031 
1 1 1   -9    6   45 o   44.099   21.307  -7.3179   7.3754  -5.4861   8.8574 -11.4600   13.319   50.510   24.127   55.667   27.279 -5.156582 36.41793 
1 1 1   -9    6   46 o   83.877   31.701   15.012   9.4268   9.9645   10.845   30.620   19.069   72.993   31.489   94.410   41.232 -21.41714 51.88082 
1 1 1   -9    7    1 o  651.844   9.5500  550.837   16.125  510.800   32.283  564.146   18.613  626.710   19.886  659.577   10.894 -32.86749 22.67508 
1 1 1   -9    7    2 o  156.491   11.038   31.915   4.4456   39.850   11.760   30.592   4.8020  172.698   27.187  153.085   12.211 19.61302 29.80347 
1 1 1   -9    7    3 o  601.725   9.4602  469.376   14.745  444.200   30.197  477.259   16.896  584.427   19.947  606.674   10.752 -22.24713 22.66031 
1 1 1   -9    7    4 o  681.771   20.403  604.600   36.032  604.600   36.032   0.0000   0.0000  681.771   20.403  ?   ?  0.000000 20.40298 
1 1 1   -9    7    5 o  487.518   10.792  308.193   13.628  309.973   16.520  304.400   24.114  488.788   13.048  483.876   19.239 4.911957 23.24611 
1 1 1   -9    7    6 o  487.282   10.834  307.896   13.675  283.800   24.546  318.741   16.467  467.121   20.286  495.669   12.825 -28.54764 24.00053 
1 1 1   -9    7    7 o  232.549   10.234   70.116   6.1648   73.006   8.8535   67.396   8.5892  236.723   14.509  227.396   14.660 9.325974 20.62571 
1 1 1   -9    7    8 f  603.165   9.8855  471.660   15.445  472.653   22.241  470.735   21.464  603.474   14.228  602.289   13.758 1.184937 19.79210 
1 1 1   -9    7    9 o  225.277   12.427   66.034   7.2236   62.743   10.325   69.189   10.110  218.954   18.374  230.153   17.080 -11.19948 25.08670 
1 1 1   -9    7   10 o  303.665   10.878  119.580   8.5562  120.756   12.341  118.491   11.873  304.546   15.698  301.714   15.241 2.831512 21.87963 
1 1 1   -9    7   11 o  369.713   9.9725  177.226   9.5504  177.373   13.891  177.094   13.152  369.639   14.508  369.392   13.745 0.2467957 19.98522 
1 1 1   -9    7   12 o  509.990   9.6801  337.224   12.788  336.439   18.269  337.977   17.905  509.106   13.854  510.293   13.546 -1.187195 19.37564 
1 1 1   -9    7   13 o  706.607   14.073  648.240   25.758  647.000   36.283  649.500   36.574  705.078   19.866  706.418   19.987 -1.339966 28.18088 
1 1 1   -9    7   14 o  620.183   10.058  498.813   16.158  507.748   23.172  490.356   22.543  625.289   14.307  614.503   14.162 10.78607 20.13078 
1 1 1   -9    7   15 o  744.403   10.557  718.816   20.356  737.076   29.320  701.824   28.284  753.193   15.028  734.988   14.856 18.20569 21.13200 
1 1 1   -9    7   16 o  595.810   15.072  461.349   23.262  474.000   34.770  451.100   31.297  602.700   22.272  588.289   20.538 14.41028 30.29619 
1 1 1   -9    7   17 o  517.926   10.129  348.007   13.588  368.000   19.972  330.776   18.541  532.127   14.490  504.533   14.187 27.59415 20.27879 
1 1 1   -9    7   18 o  324.142   10.972  136.373   9.2127  128.696   13.091  143.905   12.967  314.082   16.146  332.657   15.049 -18.57452 22.07148 
1 1 1   -9    7   19 o  542.832   10.191  382.422   14.330  381.568   20.597  383.223   19.949  541.629   14.681  542.878   14.186 -1.249756 20.41496 
1 1 1   -9    7   20 o  245.633   12.801   78.635   8.1167   81.050   11.886   76.525   11.111  248.539   18.597  241.582   17.883 6.956741 25.79992 
1 1 1   -9    7   21 o  175.030   16.011   40.255   7.1787   38.331   10.368   42.025   9.9491  169.148   24.367  177.757   22.083 -8.609024 32.88500 
1 1 1   -9    7   22 o  288.028   11.952  107.875   8.9173  102.633   12.813  112.798   12.418  279.720   17.777  293.564   16.396 -13.84488 24.18336 
1 1 1   -9    7   23 o  144.794   19.562   27.967   7.1492   25.617   10.202   30.235   10.021  136.199   29.751  148.900   26.975 -12.70119 40.15919 
1 1 1   -9    7   24 o  110.085   28.567   16.775   8.2165   29.330   11.515   3.7540   11.727  145.167   31.526   83.021   34.071 62.14616 46.41925 
1 1 1   -9    7   25 o  218.787   16.848   63.145   9.4745   58.269   11.385   74.130   17.088  208.960   21.332  233.329   28.891 -24.36916 35.91292 
1 1 1   -9    7   26 o  539.924   10.621  379.819   14.854  387.063   21.419  373.107   20.617  543.349   15.218  533.591   14.917 9.758362 21.30974 
1 1 1   -9    7   27 o  118.102   24.389   19.354   7.2140   15.814   10.110   23.027   10.297  106.592   33.123  127.136   31.442 -20.54348 45.66943 
1 1 1   -9    7   28 o  204.440   16.624   55.521   8.7273   40.150   13.114   67.740   11.692  168.191   31.252  224.634   20.314 -56.44337 37.27406 
1 1 1   -9    7   29 o  178.146   17.258   42.422   7.8639   51.360   12.851   37.071   9.9431  192.444   26.481  163.993   24.128 28.45099 35.82454 
1 1 1   -9    7   30 o   99.835   27.051   14.199   7.1695   17.860   10.837   11.349   9.5613  110.983   34.260   92.627   32.365 18.35631 47.12970 
1 1 1   -9    7   31 o  185.374   15.703   45.886   7.4695   44.081   10.640   47.641   10.489  178.371   23.608  186.215   22.182 -7.844604 32.39396 
1 1 1   -9    7   32 o   75.855   26.093   7.5748   6.2032   2.9657   8.0170   14.451   9.7921   67.974   28.064   99.982   32.767 -32.00889 43.14261 
1 1 1   -9    7   33 o  166.421   17.221   37.583   7.3160   37.198   10.421   37.958   10.274  161.204   25.827  163.289   25.093 -2.085083 36.00985 
1 1 1   -9    7   34 o  211.385   19.773   61.612   10.701   61.612   10.701   0.0000   0.0000  211.385   19.773  ?   ?  0.000000 19.77311 
1 1 1   -9    7   35 o  144.912   26.465   30.951   9.5681   27.940   20.307   31.810   10.848  124.686   46.651  144.591   29.949 -19.90433 55.43681 
1 1 1   -9    7   36 o  103.456   25.491   16.023   6.7868   12.781   9.0929   20.100   10.198   91.875   31.592  111.946   32.954 -20.07099 45.65125 
1 1 1   -9    7   37 o  119.393   24.797   21.251   7.4181   22.103   9.7786   20.095   11.386  117.394   31.501  109.764   35.286 7.629898 47.30134 
1 1 1   -9    7   38 o  168.986   18.314   40.040   7.8881   39.871   10.703   40.242   11.670  162.419   26.344  160.749   29.098 1.669952 39.25166 
1 1 1   -9    7   39 o  125.780   22.527   23.468   7.0698   21.806   9.3313   25.707   10.832  114.961   30.740  122.825   33.238 -7.864479 45.27389 
1 1 1   -9    7   40 o   60.702   25.353   3.1430   6.6525   7.5630   8.5547  -3.6188   10.581   74.592   29.632   60.493   28.095 14.09921 40.83361 
1 1 1   -9    7   41 o  104.217   29.952   18.713   8.5153   16.291   11.808   21.337   12.292   93.534   35.448  104.280   36.682 -10.74612 51.01078 
1 1 1   -9    7   42 o  142.587   25.583   32.639   9.1016   38.750   15.771   29.587   11.145  131.924   41.431  126.160   33.530 5.764130 53.29887 
1 1 1   -9    7   43 o   87.665   40.561   15.800   21.747   15.800   21.747   0.0000   0.0000   87.665   40.561  ?   ?  0.000000 40.56145 
1 1 1   -9    7   44 o   49.123   23.564  -6.6892   8.6460  -2.7155   12.392 -10.4590   12.069   61.688   29.199   54.480   26.539 7.207516 39.45750 
1 1 1   -9    7   45 o   67.345   28.889   6.5042   9.0296   20.092   12.993  -6.1888   12.558   91.163   36.421   57.717   27.867 33.44658 45.85907 
1 1 1   -9    7   46 o   48.242   23.659 -10.2006   10.079 -15.7982   12.528   0.0719   16.971   49.937   24.830   66.068   32.018 -16.13073 40.51771 
1 1 1   -9    8    1 o  386.173   9.0381  193.309   9.0409  158.000   18.984  203.665   10.282  347.835   21.171  396.345   10.015 -48.51001 23.42020 
1 1 1   -9    8    2 o  298.092   11.629  115.247   8.9794  101.200   17.156  120.547   10.538  277.671   24.091  304.802   13.347 -27.13110 27.54138 
1 1 1   -9    8    3 o  771.065   10.367  770.878   20.706  736.300   41.694  782.198   23.856  752.209   21.398  776.572   11.859 -24.36292 24.46504 
1 1 1   -9    8    4 o  131.232   19.984   22.904   6.5788   20.860   13.633   23.524   7.5112  125.703   38.363  132.584   22.686 -6.880943 44.56910 
1 1 1   -9    8    5 o  1241.42   15.669  2001.06   50.386  1944.00   86.063  2030.81   62.151  1220.46   27.224  1249.81   19.198 -29.35437 33.31179 
1 1 1   -9    8    6 o  527.652   11.435  361.082   15.629  338.700   28.913  370.322   18.577  510.115   21.881  534.223   13.424 -24.10806 25.67105 
1 1 1   -9    8    7 o  656.066   10.137  558.062   17.227  573.812   25.006  543.832   23.768  664.884   14.519  647.315   14.175 17.56860 20.29136 
1 1 1   -9    8    8 o  445.783   13.894  257.903   16.043   0.0000   0.0000  257.903   16.043  ?   ?   445.783   13.894 0.000000 13.89351 
1 1 1   -9    8    9 o  749.179   10.685  727.831   20.736  745.028   30.057  712.213   28.643  757.483   15.319  740.661   14.930 16.82220 21.39066 
1 1 1   -9    8   10 f  202.902   12.516   53.617   6.5461   55.282   9.7992   52.275   8.7968  205.367   18.623  199.842   17.160 5.524811 25.32384 
1 1 1   -9    8   11 o  378.283   9.8700  185.546   9.6713  193.459   14.050  178.421   13.332  386.037   14.051  370.741   13.883 15.29666 19.75283 
1 1 1   -9    8   12 o  425.758   12.693  235.242   13.999  238.200   19.826  232.300   19.769  428.006   17.883  422.655   18.057 5.350281 25.41360 
1 1 1   -9    8   13 o  206.897   14.296   55.853   7.6147   47.935   9.9330   67.140   11.859  190.789   20.416  226.150   20.466 -35.36063 28.90776 
1 1 1   -9    8   14 f  238.154   12.086   73.797   7.4316   87.136   10.804   61.817   10.239  258.400   16.223  217.192   18.371 41.20836 24.50940 
1 1 1   -9    8   15 o  223.176   15.575   65.056   8.9476   69.051   10.792   56.270   16.005  229.604   18.297  204.721   31.164 24.88239 36.13857 
1 1 1   -9    8   16 o  240.084   12.876   75.067   7.9783   75.030   11.622   75.101   10.972  239.262   18.906  239.535   17.811 -0.2735291 25.97458 
1 1 1   -9    8   17 o  231.904   12.583   70.051   7.5304   81.823   10.846   59.096   10.463  250.167   16.836  212.061   19.258 38.10532 25.57973 
1 1 1   -9    8   18 o  275.161   11.812   98.325   8.4194  104.218   12.245   93.041   11.595  282.405   16.816  266.770   16.866 15.63525 23.81684 
1 1 1   -9    8   19 o  237.801   13.106   73.728   8.0418   85.973   11.668   62.650   11.099  256.194   17.691  218.148   19.859 38.04671 26.59610 
1 1 1   -9    8   20 o  198.021   14.801   51.329   7.5370   47.100   10.831   55.298   10.494  188.256   22.668  204.710   20.048 -16.45424 30.26136 
1 1 1   -9    8   21 o  435.829   10.519  246.734   11.875  245.863   17.210  247.525   16.405  434.350   15.297  435.948   14.528 -1.597778 21.09620 
1 1 1   -9    8   22 o  493.804   10.467  316.866   13.389  310.343   19.180  323.065   18.698  487.802   15.179  497.852   14.499 -10.04987 20.99127 
1 1 1   -9    8   23 o  602.307   11.677  472.104   18.218  469.000   30.796  473.775   22.595  597.610   19.894  602.598   14.476 -4.988831 24.60331 
1 1 1   -9    8   24 o  237.995   15.484   74.394   9.4933   73.671   12.105   75.550   15.301  235.738   20.012  237.151   25.300 -1.412979 32.25776 
1 1 1   -9    8   25 o  240.343   23.542   77.519   14.468   61.940   23.727   86.740   18.254  205.006   45.832  252.435   28.411 -47.42914 53.92366 
1 1 1   -9    8   26 o  269.757   12.904   95.147   9.0165   90.610   12.674   99.796   12.830  261.212   18.859  274.438   18.150 -13.22580 26.17405 
1 1 1   -9    8   27 o   77.654   27.643   7.2791   7.0007  -1.2330   9.8230   16.065   9.9798   67.384   29.506  106.982   32.853 -39.59786 44.15845 
1 1 1   -9    8   28 o   66.529   26.880   3.1045   7.1643   7.8920   10.665  -0.8320   9.6711   86.865   33.500   67.274   29.372 19.59124 44.55319 
1 1 1   -9    8   29 o  162.447   19.136   35.646   7.8976   45.040   12.492   29.391   10.193  179.147   27.822  143.830   28.368 35.31747 39.73405 
1 1 1   -9    8   30 o   44.768   20.847  -4.9410   5.8872  -6.5665   8.7690  -3.6072   7.9437   55.071   25.577   55.990   25.378 -0.9183464 36.03077 
1 1 1   -9    8   31 o   59.731   24.659   1.9919   6.1887   7.3161   8.8931  -3.0076   8.6176   80.535   30.706   59.275   26.688 21.25977 40.68299 
1 1 1   -9    8   32 o  279.900   12.589  103.380   9.1274  106.292   12.789  100.357   13.030  280.815   17.672  272.270   18.587 8.545380 25.64730 
1 1 1   -9    8   33 o   58.925   24.929   1.3095   6.5625  -0.4073   10.319   2.4755   8.5040   68.087   30.015   67.760   28.506 0.3264999 41.39434 
1 1 1   -9    8   34 o  134.394   26.324   26.532   8.8361   35.218   10.921   10.070   15.036  153.925   28.439   93.712   38.532 60.21288 47.89032 
1 1 1   -9    8   35 o   38.855   19.097 -12.4785   6.6824 -11.8505   10.011 -12.9832   8.9743   52.339   25.172   47.626   23.128 4.712963 34.18362 
1 1 1   -9    8   36 o   67.100   26.967   4.4632   7.1696  -7.0208   10.174   15.794   10.105   57.495   26.978   99.706   33.315 -42.21042 42.86854 
1 1 1   -9    8   37 o   90.663   28.422   12.706   7.4259   14.857   10.228   10.309   10.798   96.317   33.485   85.970   33.553 10.34724 47.40281 
1 1 1   -9    8   38 o   60.095   26.127   1.1092   7.5832 -12.7705   10.795   14.631   10.655   53.004   25.651   94.578   34.057 -41.57421 42.63582 
1 1 1   -9    8   39 o   61.325   26.373   2.0853   7.5594   0.6157   11.276   3.2849   10.188   68.111   30.611   69.776   30.310 -1.664703 43.07790 
1 1 1   -9    8   40 o  140.345   25.446   30.739   8.9099   30.109   12.866   31.320   12.351  125.948   36.997  130.594   35.556 -4.645142 51.31245 
1 1 1   -9    8   41 o   64.368   27.773   3.3994   8.4387  -5.2464   12.014   11.820   11.856   60.930   28.813   83.934   34.329 -23.00362 44.81873 
1 1 1   -9    8   42 o   52.256   24.971  -6.8966   9.5078 -13.6800   14.872  -2.2077   12.365   59.286   29.004   63.727   29.851 -4.441135 41.62119 
1 1 1   -9    8   43 o   80.531   33.835   11.693   11.956   6.1360   15.697   19.370   18.449   75.437   34.746   90.413   39.981 -14.97677 52.96992 
1 1 1   -9    8   44 o   71.575   28.918   8.4316   8.2917  -5.2925   11.264   24.663   12.250   56.670   27.108  104.092   36.619 -47.42218 45.56058 
1 1 1   -9    8   45 o   49.737   23.709  -4.6832   8.4624   1.0652   11.386 -11.7771   12.649   62.087   28.939   53.372   26.241 8.715240 39.06438 
1 1 1   -9    8   46 o   67.218   31.220   6.0458   13.067   47.590   21.700 -17.5900   16.368  104.366   44.777   54.953   27.488 49.41241 52.54119 
1 1 1   -9    9    1 o  1297.80   13.981  2185.84   47.000  2028.00   88.687  2247.49   55.423  1246.44   27.469  1315.50   16.265 -69.06006 31.92289 
1 1 1   -9    9    2 o  371.341   9.4041  178.759   9.0456  164.100   19.677  182.687   10.186  354.451   21.533  375.357   10.476 -20.90616 23.94627 
1 1 1   -9    9    3 o  205.617   15.788   55.221   8.3445   73.110   16.801   49.363   9.6141  234.975   28.164  193.887   19.403 41.08717 34.20124 
1 1 1   -9    9    4 o  1038.48   14.148  1399.69   38.058  1411.00   67.734  1394.46   46.007  1040.31   25.136  1036.03   17.144 4.277222 30.42567 
1 1 1   -9    9    5 o  267.107   11.417   92.532   7.8990   71.760   19.977   96.382   8.5999  231.524   34.352  272.581   12.180 -41.05690 36.44760 
1 1 1   -9    9    6 o  463.866   10.277  278.996   12.349  280.100   28.368  278.738   13.716  463.051   23.731  463.590   11.422 -0.5388489 26.33658 
1 1 1   -9    9    7 o  244.146   15.216   77.694   9.5751   81.270   21.375   76.796   10.710  246.628   34.396  242.514   17.159 4.114334 38.43846 
1 1 1   -9    9    8 o  772.781   10.725  774.448   21.468  769.386   30.407  779.477   30.313  769.747   15.250  774.797   15.104 -5.050598 21.46385 
1 1 1   -9    9    9 o  454.013   9.8639  267.267   11.600  271.083   16.895  263.864   15.956  456.962   14.273  450.880   13.662 6.081360 19.75781 
1 1 1   -9    9   10 o  344.689   9.9451  154.062   8.8795  159.809   13.055  149.115   12.112  350.832   14.366  338.923   13.797 11.90875 19.91833 
1 1 1   -9    9   11 o  622.299   13.395  502.696   21.592  518.200   31.007  488.100   30.086  631.103   18.967  612.500   18.963 18.60254 26.82055 
1 1 1   -9    9   12 o  236.015   13.389   72.548   8.1517   63.877   10.667   84.720   12.639  220.766   18.834  254.402   19.323 -33.63609 26.98338 
1 1 1   -9    9   13 o  521.660   9.9006  352.938   13.378  350.387   19.281  355.307   18.578  519.376   14.332  523.074   13.712 -3.698364 19.83433 
1 1 1   -9    9   14 o  563.490   10.003  411.862   14.600  413.981   21.085  409.909   20.236  564.478   14.420  561.756   13.907 2.721619 20.03368 
1 1 1   -9    9   15 o  311.917   18.781  127.182   15.104  112.800   22.541  138.900   20.347  291.451   30.300  325.038   24.343 -33.58725 38.86776 
1 1 1   -9    9   16 o  740.810   10.707  712.208   20.545  717.063   29.491  707.630   28.638  742.547   15.332  737.714   14.987 4.832764 21.44037 
1 1 1   -9    9   17 o  529.379   10.346  363.697   14.187  362.640   20.351  364.696   19.787  528.034   14.879  529.596   14.424 -1.561890 20.72307 
1 1 1   -9    9   18 o  337.532   11.057  147.930   9.6672  139.889   13.949  155.362   13.410  327.309   16.506  345.539   14.983 -18.22986 22.29156 
1 1 1   -9    9   19 o  512.712   10.222  341.281   13.575  342.133   19.301  340.447   19.098  512.723   14.533  511.479   14.415 1.244415 20.46912 
1 1 1   -9    9   20 o  494.852   10.363  318.033   13.284  331.891   19.153  305.188   18.439  504.824   14.647  484.079   14.706 20.74466 20.75550 
1 1 1   -9    9   21 o  114.439   23.013   17.818   6.5853   27.047   9.0862   7.6054   9.5578  141.052   25.820   85.739   32.020 55.31302 41.13332 
1 1 1   -9    9   22 o  191.350   15.284   48.089   7.5122   39.581   10.680   56.420   10.568  171.411   24.773  206.408   20.018 -34.99631 31.84986 
1 1 1   -9    9   23 o  326.539   14.710  139.264   12.442  126.900   17.092  153.200   18.147  309.555   21.448  340.510   20.672 -30.95541 29.78817 
1 1 1   -9    9   24 o  245.545   13.448   78.967   8.5209   77.594   12.359   80.210   11.764  241.800   19.909  246.246   18.580 -4.446701 27.23205 
1 1 1   -9    9   25 o  141.835   34.793   28.772   12.686   10.580   22.119   37.690   15.487  114.430   46.857  161.611   37.687 -47.18097 60.13213 
1 1 1   -9    9   26 o  288.248   13.482  108.831   10.066  106.800   15.860  110.200   13.026  282.211   21.867  288.448   17.517 -6.237030 28.01739 
1 1 1   -9    9   27 o   76.957   27.328   7.2098   6.8377   12.740   9.9504   2.2619   9.4121   97.573   33.056   72.074   30.135 25.49992 44.73043 
1 1 1   -9    9   28 o   63.634   26.058   2.4103   6.8410   4.0780   9.8502   0.8564   9.5080   76.669   31.317   69.505   29.725 7.163635 43.17778 
1 1 1   -9    9   29 o   62.892   25.821   2.3323   6.7388  -7.5811   9.4842   12.440   9.5767   56.637   26.402   95.530   32.429 -38.89361 41.81799 
1 1 1   -9    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9    9   31 o  223.562   14.337   66.468   8.2584   74.882   12.098   59.125   11.301  234.470   20.114  207.534   21.326 26.93571 29.31487 
1 1 1   -9    9   32 o  100.840   24.156   14.656   6.2266   25.026   8.4243   2.1695   9.2442  131.816   25.595   69.588   29.521 62.22837 39.07223 
1 1 1   -9    9   33 o  217.377   19.151   64.870   10.673   64.590   14.713   65.180   15.506  210.764   27.614  210.398   29.243 0.3662872 40.22057 
1 1 1   -9    9   34 o  138.098   36.857   31.244   13.430   40.900   20.980   24.540   17.481  147.293   47.948  119.489   43.533 27.80366 64.76230 
1 1 1   -9    9   35 o   96.773   27.251   14.219   7.1214   11.155   10.348   16.975   9.8157   88.606   33.272  103.443   32.712 -14.83733 46.65924 
1 1 1   -9    9   36 o  136.302   23.062   27.079   7.8518   35.144   11.184   19.240   11.026  150.523   29.740  107.844   34.729 42.67901 45.72292 
1 1 1   -9    9   37 o  190.759   17.349   50.526   8.4787   54.523   12.559   47.178   11.493  190.590   26.127  177.488   25.750 13.10185 36.68387 
1 1 1   -9    9   38 o   50.933   23.529  -3.5986   7.2764   10.761   10.625 -16.2803   9.9854   85.149   33.269   47.458   23.330 37.69114 40.63364 
1 1 1   -9    9   39 o   87.293   28.510   12.335   7.4151   6.6214   10.884   17.283   10.129   76.138   32.152   99.341   33.354 -23.20271 46.32708 
1 1 1   -9    9   40 o   84.184   29.917   11.805   8.1967   16.588   11.120   6.1143   12.130   94.888   34.697   75.596   32.953 19.29166 47.85190 
1 1 1   -9    9   41 o   80.212   29.943   10.800   8.3567   27.378   12.245  -3.6513   11.433  116.935   36.472   60.830   28.561 56.10537 46.32403 
1 1 1   -9    9   42 o   61.939   28.804  -1.3123   11.178   5.8570   14.673 -11.2300   17.257   75.039   34.196   64.390   31.447 10.64871 46.45723 
1 1 1   -9    9   43 o   61.492   28.406   0.0232   10.604   11.170   22.522  -3.1515   12.019   82.043   38.987   60.713   28.743 21.32964 48.43756 
1 1 1   -9    9   44 o   99.616   31.645   19.885   9.1782   6.1311   13.150   32.948   12.816   70.833   32.316  120.528   37.266 -49.69535 49.32636 
1 1 1   -9    9   45 o   48.217   23.287  -6.6600   8.7865 -10.1692   12.550  -3.2859   12.306   53.759   26.372   58.599   28.110 -4.839977 38.54429 
1 1 1   -9   10    1 o  707.921   12.329  650.132   22.607  670.500   41.019  641.246   27.093  717.631   22.067  702.803   14.883 14.82733 26.61643 
1 1 1   -9   10    2 o  313.866   18.879  128.538   15.277  129.700   22.852  127.600   20.542  313.831   28.420  311.736   25.668 2.094879 38.29519 
1 1 1   -9   10    3 o  695.871   12.185  628.175   21.963  668.100   41.557  612.700   25.872  716.267   22.398  687.011   14.538 29.25635 26.70299 
1 1 1   -9   10    4 o  125.939   19.741   21.122   6.2282   85.680   20.540   14.585   6.5360  253.852   31.944  103.709   24.686 150.1425 40.37114 
1 1 1   -9   10    5 o  492.139   12.594  314.243   16.054  307.600   29.477  317.044   19.143  485.855   23.422  494.149   14.955 -8.294495 27.78944 
1 1 1   -9   10    6 o  1015.51   12.189  1337.89   32.063  1361.00   66.750  1330.96   36.556  1021.41   25.229  1012.61   13.937 8.803040 28.82252 
1 1 1   -9   10    7 o  463.779   10.294  278.920   12.367  287.800   27.897  276.748   13.796  469.956   22.916  461.897   11.531 8.058441 25.65399 
1 1 1   -9   10    8 o  657.599   10.345  560.794   17.621  534.700   36.874  568.518   20.060  640.624   22.221  661.992   11.699 -21.36841 25.11238 
1 1 1   -9   10    9 o  577.826   9.9124  432.962   14.836  421.249   20.991  444.655   20.973  569.584   14.227  585.235   13.835 -15.65070 19.84488 
1 1 1   -9   10   10 o  498.820   12.648  322.937   16.342  320.400   23.054  325.500   23.169  496.332   17.932  500.272   17.879 -3.940704 25.32214 
1 1 1   -9   10   11 f  285.802   10.692  105.958   7.9157  104.522   11.392  107.299   11.007  283.182   15.591  287.013   14.856 -3.830841 21.53535 
1 1 1   -9   10   12 o  232.601   11.818   70.394   7.0971   71.349   10.438   69.573   9.6787  233.561   17.377  230.758   16.297 2.804031 23.82363 
1 1 1   -9   10   13 o  229.799   12.465   68.759   7.3922   70.195   10.654   67.426   10.265  231.549   17.902  226.952   17.599 4.597900 25.10422 
1 1 1   -9   10   14 f  233.023   16.308   70.976   9.7812   69.706   11.628   74.050   18.089  230.435   19.669  235.476   30.363 -5.040497 36.17705 
1 1 1   -9   10   15 o  369.630   10.834  177.320   10.373  172.760   15.481  181.036   13.974  364.358   16.403  373.181   14.456 -8.823181 21.86418 
1 1 1   -9   10   16 o  443.314   10.295  255.049   11.821  261.341   17.161  249.367   16.308  448.266   14.779  437.926   14.376 10.34033 20.61794 
1 1 1   -9   10   17 o  352.791   16.017  162.060   14.637  162.060   14.637   0.0000   0.0000  352.791   16.017  ?   ?  0.000000 16.01717 
1 1 1   -9   10   18 o  583.877   10.523  442.652   15.915  442.863   22.960  442.457   22.082  583.217   15.198  583.063   14.621 0.1532593 21.08885 
1 1 1   -9   10   19 o  102.707   24.594   14.418   6.4564   9.4442   9.1523   19.346   9.1094   89.671   31.640  118.616   29.711 -28.94491 43.40377 
1 1 1   -9   10   20 o   98.476   24.887   13.271   6.3512   16.182   8.6488   9.8641   9.3568  108.675   29.822   91.052   32.005 17.62280 43.74557 
1 1 1   -9   10   21 o  131.965   20.891   23.409   6.9035   26.345   10.149   20.880   9.4178  138.257   29.252  122.830   29.885 15.42687 41.81853 
1 1 1   -9   10   22 o  344.079   12.614  154.245   11.243  162.200   18.260  149.389   14.268  350.671   20.188  337.951   16.299 12.72046 25.94621 
1 1 1   -9   10   23 o  270.969   14.717   96.272   10.291  102.120   13.152   87.040   16.525  278.175   18.356  254.510   25.406 23.66492 31.34337 
1 1 1   -9   10   24 f  197.997   18.718   52.120   9.4863   53.058   12.020   50.570   15.448  198.217   23.891  190.253   32.514 7.963211 40.34798 
1 1 1   -9   10   25 o  207.754   19.707   57.667   10.478   0.0000   0.0000   57.667   10.478  ?   ?   207.754   19.707 0.000000 19.70679 
1 1 1   -9   10   26 o  139.043   21.682   26.390   7.5544   18.670   11.651   31.990   9.9231  114.579   35.549  151.786   26.185 -37.20654 44.15162 
1 1 1   -9   10   27 o  172.758   17.598   39.947   7.7652   38.290   12.372   41.024   9.9742  164.196   30.203  173.267   22.775 -9.071060 37.82755 
1 1 1   -9   10   28 o  129.811   20.831   23.124   6.7675   18.472   9.3842   28.165   9.7689  112.964   31.090  140.870   27.759 -27.90511 41.67943 
1 1 1   -9   10   29 o   76.879   27.345   7.3884   6.8491   3.1444   9.4919   11.998   9.8926   73.251   30.413   94.390   32.924 -21.13855 44.82132 
1 1 1   -9   10   30 o  122.140   21.613   20.789   6.5877   19.406   9.9726   21.859   8.7747  114.333   32.266  122.690   28.201 -8.357063 42.85332 
1 1 1   -9   10   31 o   88.667   27.114   11.261   6.8056   12.311   9.3835   10.095   9.8853   93.470   32.096   88.367   32.650 5.103386 45.78380 
1 1 1   -9   10   32 o   42.803   20.475  -7.9180   6.4273 -10.2200   9.9609  -6.2758   8.4129   54.408   25.876   53.244   24.836 1.164360 35.86664 
1 1 1   -9   10   33 o  200.891   18.654   55.486   9.5963   59.082   12.338   49.980   15.268  203.761   23.826  179.181   34.142 24.58011 41.63336 
1 1 1   -9   10   34 o  170.102   30.518   44.247   12.953   46.840   19.526   42.210   17.309  160.084   45.140  155.069   42.037 5.014664 61.68247 
1 1 1   -9   10   35 o   60.519   25.751   1.7334   7.0702   8.4313   9.8652  -5.3401   10.138   81.430   31.987   59.272   27.519 22.15870 42.19555 
1 1 1   -9   10   36 o   43.294   20.792  -8.2126   6.7739  -8.8040   9.8939  -7.6907   9.2937   54.257   25.800   53.456   25.298 0.8015137 36.13359 
1 1 1   -9   10   37 o   61.193   26.002   2.2545   7.1907   10.300   10.145  -5.8681   10.194   84.258   32.623   57.934   27.126 26.32412 42.42747 
1 1 1   -9   10   38 f  145.021   29.036   33.678   10.527   0.0000   0.0000   33.678   10.527  ?   ?   145.021   29.036 0.000000 29.03578 
1 1 1   -9   10   39 o   98.151   28.081   15.888   7.5001   16.234   9.8146   15.401   11.628   95.980   32.828   92.958   35.190 3.022392 48.12506 
1 1 1   -9   10   40 o   73.813   28.613   8.1834   7.8116  -4.9297   11.583   19.121   10.579   60.293   28.445  100.700   34.085 -40.40698 44.39455 
1 1 1   -9   10   41 o   71.246   30.020   6.7134   9.4548  -4.4850   14.253   15.513   12.635   64.958   30.911   88.890   35.773 -23.93254 47.27785 
1 1 1   -9   10   42 f  105.768   35.656   23.599   11.576   23.599   11.576   0.0000   0.0000  105.768   35.656  ?   ?  0.000000 35.65594 
1 1 1   -9   10   43 f   94.426   31.809   17.739   9.2134   31.291   12.921   3.7230   13.141  117.694   37.564   68.890   31.753 48.80386 49.18695 
1 1 1   -9   10   44 o   58.053   26.526   1.0886   8.9030 -12.8103   12.555   15.146   12.627   52.617   25.922   82.122   34.651 -29.50491 43.27464 
1 1 1   -9   10   45 o   61.731   27.429   4.5358   8.7846   6.1435   12.611   3.0205   12.243   67.385   31.076   63.686   29.791 3.698822 43.04902 
1 1 1   -9   11    1 o  912.865   13.500  1081.54   31.923  1087.30   39.077  1070.00   55.350  914.819   16.491  906.039   23.584 8.780945 28.77779 
1 1 1   -9   11    2 o  640.912   12.125  532.913   20.129  584.200   37.797  512.608   23.782  669.779   21.786  628.343   14.612 41.43549 26.23237 
1 1 1   -9   11    3 f  235.271   11.942   71.994   7.2540   50.050   18.297   76.086   7.9016  191.709   38.186  241.822   12.658 -50.11304 40.22990 
1 1 1   -9   11    4 o  981.123   11.927  1248.82   30.313  1261.00   62.895  1245.14   34.596  983.178   24.697  979.421   13.636 3.756165 28.21118 
1 1 1   -9   11    5 o  458.536   10.102  272.649   11.998  264.400   26.421  274.792   13.467  449.853   22.748  460.264   11.296 -10.41064 25.39809 
1 1 1   -9   11    6 o  542.595   12.192  382.008   17.136  350.400   30.124  397.128   20.835  518.527   22.428  553.014   14.545 -34.48663 26.73169 
1 1 1   -9   11    7 o  972.167   11.924  1226.28   30.027  1155.00   59.365  1250.79   34.809  940.788   24.361  981.550   13.691 -40.76172 27.94405 
1 1 1   -9   11    8 o  827.934   12.697  889.685   27.230   0.0000   0.0000  889.685   27.230  ?   ?   827.934   12.697 0.000000 12.69691 
1 1 1   -9   11    9 o  562.226   13.773  410.463   20.058   0.0000   0.0000  410.463   20.058  ?   ?   562.226   13.773 0.000000 13.77293 
1 1 1   -9   11   10 o  334.509   12.456  145.245   10.793  168.700   23.780  139.160   12.113  358.297   25.794  327.311   14.286 30.98618 29.48649 
1 1 1   -9   11   11 f  610.289   10.163  483.137   16.066  474.865   22.878  491.185   22.567  604.540   14.610  614.899   14.169 -10.35962 20.35197 
1 1 1   -9   11   12 o  236.391   12.162   72.736   7.4216   77.665   10.766   68.273   10.245  243.710   17.163  228.383   17.450 15.32724 24.47634 
1 1 1   -9   11   13 o  355.972   13.259  164.607   12.226  164.953   14.616  163.800   22.309  356.119   15.845  352.999   24.551 3.120728 29.21995 
1 1 1   -9   11   14 o  722.255   12.705  677.598   23.769  677.400   44.489  677.678   28.119  719.493   23.871  721.874   15.038 -2.381226 28.21304 
1 1 1   -9   11   15 o  190.048   14.749   47.256   7.2039   59.580   10.802   37.384   9.6679  212.765   19.828  167.542   22.875 45.22336 30.27231 
1 1 1   -9   11   16 o  211.062   13.896   58.179   7.5545   57.634   11.155   58.641   10.267  208.973   20.888  211.149   18.975 -2.175430 28.21972 
1 1 1   -9   11   17 o  651.274   10.416  550.724   17.572  561.437   25.337  540.797   24.391  656.722   14.895  644.600   14.608 12.12183 20.86241 
1 1 1   -9   11   18 o  415.569   10.776  224.330   11.599  240.019   17.273  211.442   15.655  429.176   15.537  402.900   15.000 26.27570 21.59655 
1 1 1   -9   11   19 o  546.899   14.499  389.682   20.540   0.0000   0.0000  389.682   20.540  ?   ?   546.899   14.499 0.000000 14.49888 
1 1 1   -9   11   20 o  263.405   12.744   90.327   8.6954   93.811   12.962   87.477   11.725  266.974   18.866  258.021   17.649 8.953339 25.83396 
1 1 1   -9   11   21 o  292.513   13.288  111.532   10.068  130.900   16.171   99.272   12.866  315.039   19.919  274.620   18.190 40.41821 26.97496 
1 1 1   -9   11   22 f  398.107   12.896  206.714   13.299  190.287   16.753  234.700   21.866  380.984   16.976  422.129   19.998 -41.14490 26.23137 
1 1 1   -9   11   23 o  191.391   15.837   48.347   7.7809   49.533   11.708   47.409   10.413  191.439   24.148  187.957   21.792 3.482101 32.52713 
1 1 1   -9   11   24 o  223.017   31.380   69.140   17.626   0.0000   0.0000   69.140   17.626  ?   ?   223.017   31.380 0.000000 31.38025 
1 1 1   -9   11   25 o  385.669   12.242  194.547   12.230  190.700   19.907  196.879   15.500  378.058   20.403  386.846   15.468 -8.788635 25.60388 
1 1 1   -9   11   26 o  172.917   18.074   40.065   7.9759   21.170   11.631   56.837   10.958  120.712   35.097  205.208   20.907 -84.49646 40.85236 
1 1 1   -9   11   27 o   87.888   27.627   10.647   7.0108   17.279   10.174   4.6489   9.6747  109.545   33.075   77.222   31.224 32.32256 45.48499 
1 1 1   -9   11   28 o  249.987   12.726   82.341   8.2133   81.367   11.809   83.254   11.431  246.115   18.663  249.360   17.814 -3.245865 25.80014 
1 1 1   -9   11   29 o  192.157   15.682   49.325   7.7375   48.798   10.994   49.842   10.892  187.885   23.074  190.168   22.551 -2.282944 32.26403 
1 1 1   -9   11   30 o   69.773   26.077   5.5779   6.3419   7.7637   9.4851   3.8109   8.5285   82.364   31.638   71.215   29.121 11.14902 42.99936 
1 1 1   -9   11   31 o   91.008   25.282   12.002   6.1733   7.1237   8.2482   18.215   9.3084   77.801   29.593  109.895   31.229 -32.09401 43.02336 
1 1 1   -9   11   32 o  216.084   19.017   64.137   10.536   65.550   14.400   62.510   15.455  212.813   26.711  205.096   29.977 7.716461 40.15108 
1 1 1   -9   11   33 o  168.593   43.004   49.700   18.840   0.0000   0.0000   49.700   18.840  ?   ?   168.593   43.004 0.000000 43.00376 
1 1 1   -9   11   34 o   71.071   29.242   4.5781   8.6666   8.5710   18.515   3.4577   9.8073   93.633   40.767   71.575   30.388 22.05848 50.84695 
1 1 1   -9   11   35 o   48.089   22.024  -2.9596   6.1846  -2.4263   8.9156  -3.4543   8.5864   59.002   26.798   56.452   25.889 2.550255 37.26129 
1 1 1   -9   11   36 o   82.839   26.949   10.427   6.6280   6.7260   8.2961   16.958   11.020   74.005   29.249  100.604   34.769 -26.59915 45.43579 
1 1 1   -9   11   37 o   67.429   27.096   5.0946   7.2373  -4.3666   10.229   14.578   10.241   59.430   27.609   93.666   33.425 -34.23591 43.35300 
1 1 1   -9   11   38 o  146.676   22.635   32.171   8.3231   30.706   12.158   33.464   11.418  130.805   35.136  140.485   32.082 -9.679855 47.57941 
1 1 1   -9   11   39 o   71.377   28.376   6.9958   7.8505   9.9932   11.564   4.4335   10.692   81.232   33.635   70.799   30.898 10.43341 45.67280 
1 1 1   -9   11   40 o   53.716   24.840  -2.4929   8.1406  -0.9713   11.028  -4.3152   12.068   62.865   29.015   61.420   28.994 1.444927 41.01838 
1 1 1   -9   11   41 o   62.850   28.548   1.2116   10.120   1.0210   15.237   1.3620   13.538   70.527   33.068   68.638   31.844 1.889091 45.90805 
1 1 1   -9   11   42 o  112.730   39.943   31.148   14.600   31.430   22.756   30.950   19.034   98.313   43.883  102.435   42.843 -4.121727 61.32961 
1 1 1   -9   11   43 o   76.347   30.088   10.827   8.7551   12.727   12.865   9.1882   11.949   79.319   34.257   73.918   32.451 5.400887 47.18692 
1 1 1   -9   11   44 o   56.150   25.625   1.0411   8.2765   2.0855   12.186   0.1470   11.276   63.545   29.724   60.282   28.323 3.262756 41.05718 
1 1 1   -9   11   45 o   91.828   30.663   18.282   8.5604   11.666   11.974   25.200   12.243   72.897   32.224   96.386   36.192 -23.48876 48.45848 
1 1 1   -9   12    1 o  495.009   10.095  317.765   12.943  314.765   18.506  320.638   18.110  492.329   14.512  496.941   14.069 -4.612000 20.21185 
1 1 1   -9   12    2 o  505.091   10.136  330.847   13.261  332.923   19.139  328.930   18.391  506.319   14.593  503.318   14.106 3.001129 20.29613 
1 1 1   -9   12    3 o  411.214   9.9174  219.283   10.564  244.200   25.500  214.121   11.606  432.180   22.860  406.285   11.028 25.89532 25.38114 
1 1 1   -9   12    4 o  153.007   15.189   30.710   5.9403   54.020   17.345   27.612   6.3227  199.903   34.758  144.724   17.203 55.17874 38.78252 
1 1 1   -9   12    5 o  624.934   12.203  506.818   19.754  513.100   36.184  504.150   23.578  627.347   22.267  623.020   14.610 4.327637 26.63198 
1 1 1   -9   12    6 o  131.485   19.551   22.992   6.4560   0.0000   0.0000   22.992   6.4560  ?   ?   131.485   19.551 0.000000 19.55079 
1 1 1   -9   12    7 o  393.468   13.317  201.014   13.573   0.0000   0.0000  201.014   13.573  ?   ?   393.468   13.317 0.000000 13.31687 
1 1 1   -9   12    8 o  516.156   10.274  345.582   13.736  312.400   29.424  354.830   15.533  489.205   23.220  522.917   11.468 -33.71246 25.89719 
1 1 1   -9   12    9 o  555.683   10.332  400.570   14.872  359.100   31.816  412.164   16.823  524.375   23.424  563.555   11.524 -39.18011 26.10516 
1 1 1   -9   12   10 o  550.275   11.928  393.064   17.002  336.100   31.534  416.409   20.187  507.094   24.007  566.168   13.765 -59.07407 27.67336 
1 1 1   -9   12   11 o  616.827   12.159  493.994   19.428  495.900   36.979  493.267   22.833  616.016   23.175  616.081   14.308 -0.6475830E-01 27.23565 
1 1 1   -9   12   12 o  478.362   10.207  296.917   12.648  307.840   18.445  287.225   17.376  486.608   14.634  470.076   14.270 16.53189 20.43959 
1 1 1   -9   12   13 o  186.461   30.770   46.975   14.343   25.430   22.744   61.200   18.481  143.229   49.924  212.388   34.798 -69.15897 60.85522 
1 1 1   -9   12   14 o  355.229   11.026  163.834   10.145  165.486   14.920  162.413   13.837  356.514   16.156  353.304   15.120 3.210144 22.12749 
1 1 1   -9   12   15 o  460.832   10.315  275.684   12.313  265.478   17.967  284.724   16.909  451.586   15.359  467.878   13.952 -16.29138 20.75030 
1 1 1   -9   12   16 o  196.116   14.918   50.360   7.5215   43.336   10.996   56.537   10.311  180.142   24.175  207.123   19.446 -26.98112 31.02565 
1 1 1   -9   12   17 o  252.981   12.817   83.452   8.3715   84.751   12.210   82.299   11.500  253.994   18.689  250.432   17.845 3.562363 25.84055 
1 1 1   -9   12   18 o  628.209   14.835  514.343   24.141   0.0000   0.0000  514.343   24.141  ?   ?   628.209   14.835 0.000000 14.83518 
1 1 1   -9   12   19 o  455.377   10.688  269.558   12.608  258.652   18.277  279.458   17.414  445.096   15.853  462.950   14.521 -17.85394 21.49846 
1 1 1   -9   12   20 o  246.365   13.553   79.371   8.6159   64.495   12.309   93.660   12.064  220.216   21.868  266.866   17.550 -46.64987 28.03942 
1 1 1   -9   12   21 o  219.979   17.479   63.858   9.8776   77.530   14.127   50.780   13.816  241.022   22.903  192.900   28.510 48.12234 36.56987 
1 1 1   -9   12   22 o  278.996   16.874  102.567   12.137   0.0000   0.0000  102.567   12.137  ?   ?   278.996   16.874 0.000000 16.87389 
1 1 1   -9   12   23 o  192.036   21.259   49.524   10.397   43.590   12.470   63.060   18.834  177.704   28.019  210.889   35.755 -33.18462 45.42516 
1 1 1   -9   12   24 o  109.311   32.997   16.845   10.126   0.0000   0.0000   16.845   10.126  ?   ?   109.311   32.997 0.000000 32.99690 
1 1 1   -9   12   25 o   70.130   26.915   4.8628   6.8609   0.6366   10.546   7.9643   9.0342   72.585   31.180   83.622   31.150 -11.03661 44.07416 
1 1 1   -9   12   26 o   92.420   26.620   12.006   6.7193   6.8258   8.9564   18.676   10.162   80.336   30.771  113.563   32.745 -33.22710 44.93421 
1 1 1   -9   12   27 o  145.649   20.626   29.016   7.5642   30.575   10.713   27.466   10.682  145.949   29.355  137.566   30.749 8.382523 42.51170 
1 1 1   -9   12   28 f   97.441   25.694   13.574   6.5780   20.065   9.0962   6.4577   9.5238  117.183   29.876   80.081   31.438 37.10230 43.36952 
1 1 1   -9   12   29 o  145.429   19.587   29.005   7.1908   23.518   10.094   34.658   10.246  125.817   31.141  156.006   26.290 -30.18980 40.75404 
1 1 1   -9   12   30 o  127.840   22.735   23.088   7.2528   26.317   10.183   19.763   10.332  132.880   30.263  114.010   33.059 18.86920 44.81908 
1 1 1   -9   12   31 o   82.829   27.786   9.6710   7.0297  -9.0890   10.251   26.323   9.6582   56.470   26.677  132.797   28.898 -76.32707 39.32925 
1 1 1   -9   12   32 o   83.681   29.317   9.8976   7.8479   17.180   10.190  -0.7214   12.304  104.847   33.347   72.106   32.221 32.74075 46.37056 
1 1 1   -9   12   33 o   70.895   30.798   1.9492   10.521   13.710   17.847  -4.3140   13.024  100.134   41.650   68.820   31.680 31.31430 52.32910 
1 1 1   -9   12   34 f   84.926   26.431   10.845   6.4348   2.2795   9.4564   18.231   8.7813   68.204   29.414  107.243   30.282 -39.03870 42.21598 
1 1 1   -9   12   35 o   46.748   21.949  -5.3301   6.7532  -5.0736   8.9301  -5.6728   10.321   55.188   25.691   58.856   27.472 -3.667511 37.61341 
1 1 1   -9   12   36 o  128.010   24.599   24.764   7.8601   25.603   11.378   23.998   10.871  121.790   34.497  118.456   33.779 3.334236 48.28174 
1 1 1   -9   12   37 o  100.458   27.678   16.266   7.4325   19.698   11.450   13.766   9.7709  104.567   35.459   90.828   32.623 13.73835 48.18319 
1 1 1   -9   12   38 o  168.695   19.554   41.351   8.3862   53.512   11.875   29.251   11.845  185.708   25.348  126.325   34.994 59.38292 43.21028 
1 1 1   -9   12   39 o  158.817   22.476   38.475   8.9879   27.978   12.285   50.565   13.184  119.026   36.434  171.975   30.723 -52.94983 47.65900 
1 1 1   -9   12   40 o   66.809   27.776   5.6409   7.9322   2.2597   10.575   9.9900   11.994   65.477   29.515   78.797   33.534 -13.31985 44.67297 
1 1 1   -9   12   41 o   68.842   29.423   6.2579   9.3053   2.7706   11.253   13.800   16.549   66.179   30.077   83.483   37.332 -17.30350 47.94019 
1 1 1   -9   12   42 o   62.221   29.430  -1.6636   12.546   2.2900   16.688  -6.8040   19.028   70.679   33.579   66.883   32.739 3.795441 46.89793 
1 1 1   -9   12   43 o   39.146   19.613 -17.6863   8.4897 -14.5814   12.031 -20.7660   11.982   50.268   24.878   46.666   23.368 3.602238 34.13196 
1 1 1   -9   12   44 o   80.492   30.948   14.029   9.0812   18.768   13.208   9.7797   12.506   84.098   35.460   71.525   32.182 12.57355 47.88684 
1 1 1   -9   13    1 o   76.482   26.568   6.8637   6.4388  -0.8997   9.4665   13.547   8.7834   68.242   29.430  101.315   30.764 -33.07216 42.57446 
1 1 1   -9   13    2 o   53.695   23.705  -1.9836   6.4589  -1.2071   9.7400  -2.5931   8.6292   68.726   29.745   62.074   27.402 6.652569 40.44256 
1 1 1   -9   13    3 o  191.636   16.942   48.128   8.3234   56.140   14.191   43.927   10.276  205.348   27.361  182.196   22.236 23.15172 35.25726 
1 1 1   -9   13    4 f  308.921   13.337  123.920   10.672   0.0000   0.0000  123.920   10.672  ?   ?   308.921   13.337 0.000000 13.33717 
1 1 1   -9   13    5 o  292.504   12.811  111.082   9.7069  108.300   22.218  111.739   10.791  285.645   30.500  293.285   14.205 -7.640900 33.64512 
1 1 1   -9   13    6 o  400.511   11.857  208.200   12.301  150.800   24.421  227.714   14.239  338.059   28.144  418.759   13.127 -80.69910 31.05478 
1 1 1   -9   13    7 o  774.699   10.932  778.761   21.936  762.300   45.961  783.617   24.963  763.946   23.226  776.901   12.405 -12.95404 26.33102 
1 1 1   -9   13    8 o  337.373   12.720  147.805   11.116   96.310   23.500  162.647   12.616  267.982   34.666  353.827   13.765 -85.84558 37.29921 
1 1 1   -9   13    9 o  844.499   13.504  926.540   29.540  926.800   52.423  926.419   35.757  841.798   24.042  843.834   16.359 -2.036377 29.07935 
1 1 1   -9   13   10 o  472.968   10.744  290.320   13.163  290.400   30.326  290.301   14.611  470.268   24.985  472.840   11.929 -2.571716 27.68652 
1 1 1   -9   13   11 o  602.230   10.700  470.736   16.692  468.700   36.537  471.272   18.764  598.458   23.570  602.403   12.025 -3.944397 26.45993 
1 1 1   -9   13   12 o  118.076   38.225   18.128   13.343   19.530   21.140   17.200   17.203  131.045   47.853  121.176   43.312 9.868652 64.54344 
1 1 1   -9   13   13 o  370.845   13.199  178.775   12.679  184.000   28.111  177.441   14.205  372.432   29.377  369.278   14.851 3.154480 32.91776 
1 1 1   -9   13   14 o  622.112   10.510  502.512   16.936  495.862   24.330  508.763   23.590  617.135   15.220  625.249   14.565 -8.114197 21.06643 
1 1 1   -9   13   15 o  404.084   14.667  212.593   15.351   0.0000   0.0000  212.593   15.351  ?   ?   404.084   14.667 0.000000 14.66655 
1 1 1   -9   13   16 o  587.457   10.631  448.313   16.177  454.134   23.728  443.258   22.113  590.254   15.519  583.350   14.634 6.904114 21.33076 
1 1 1   -9   13   17 o  258.842   12.254   87.157   8.2162   85.129   12.064   88.912   11.220  254.464   18.428  260.419   16.722 -5.955505 24.88390 
1 1 1   -9   13   18 o   81.665   26.226   8.6448   6.2908   7.9556   9.2066   9.2483   8.6158   85.612   31.531   87.761   30.719 -2.148354 44.02151 
1 1 1   -9   13   19 o  296.067   12.360  114.168   9.4788  105.807   13.816  121.602   13.029  283.347   18.934  304.436   16.584 -21.08911 25.16961 
1 1 1   -9   13   20 o  195.289   18.642   50.551   9.3155   58.570   13.332   42.900   13.022  208.498   25.196  176.672   29.495 31.82593 38.79168 
1 1 1   -9   13   21 o  125.574   29.252   22.068   9.3382   0.0000   0.0000   22.068   9.3382  ?   ?   125.574   29.252 0.000000 29.25249 
1 1 1   -9   13   22 o  217.519   15.421   62.397   8.6325   63.390   13.068   61.628   11.498  216.686   23.668  214.559   20.957 2.127014 31.61229 
1 1 1   -9   13   23 o  114.748   44.509   14.970   18.911   0.0000   0.0000   14.970   18.911  ?   ?   114.748   44.509 0.000000 44.50867 
1 1 1   -9   13   24 o  149.693   20.824   30.450   7.8558   22.550   11.911   36.531   10.451  124.451   35.313  162.388   25.701 -37.93674 43.67570 
1 1 1   -9   13   25 o  142.998   20.364   27.860   7.3297   29.957   10.905   26.132   9.8996  144.591   30.095  135.211   29.125 9.379898 41.88049 
1 1 1   -9   13   26 o  138.550   20.240   26.245   7.0495   20.324   10.127   31.812   9.8192  117.856   32.240  150.402   26.154 -32.54618 41.51435 
1 1 1   -9   13   27 o   74.319   26.727   6.7818   6.5603   5.0613   9.4319   8.3942   9.1309   76.864   30.917   83.881   31.302 -7.017593 43.99620 
1 1 1   -9   13   28 o  223.569   14.221   66.423   8.1926   59.490   11.863   72.745   11.327  207.657   22.410  231.733   19.039 -24.07539 29.40622 
1 1 1   -9   13   29 o  126.897   22.030   22.622   6.9787   4.3920   10.226   38.515   9.5477   76.559   31.659  165.954   22.814 -89.39424 39.02250 
1 1 1   -9   13   30 o  103.964   24.559   15.709   6.5085   3.2285   8.9352   29.817   9.4996   70.382   29.389  143.101   26.607 -72.71820 39.64395 
1 1 1   -9   13   31 o  163.174   22.871   37.859   9.4013   38.370   12.751   37.250   13.917  157.723   32.297  152.492   35.838 5.230835 48.24355 
1 1 1   -9   13   32 o  300.346   12.689  120.160   9.8717  129.270   13.930  110.969   13.992  307.224   17.577  283.108   19.193 24.11584 26.02546 
1 1 1   -9   13   33 o   67.146   28.899   2.1680   9.0914 -19.5100   20.785   7.2965   10.110   72.758   35.301   79.244   31.961 -6.485405 47.62002 
1 1 1   -9   13   34 o  186.537   17.092   48.180   8.1668   36.479   11.021   62.433   12.163  153.454   28.782  207.342   23.036 -53.88727 36.86594 
1 1 1   -9   13   35 o  146.290   21.347   31.058   7.8510   21.785   11.551   39.018   10.703  111.711   35.503  159.603   26.842 -47.89218 44.50785 
1 1 1   -9   13   36 o  155.890   20.511   35.235   8.0812   44.285   11.851   27.369   11.048  167.557   28.313  126.178   33.313 41.37956 43.71971 
1 1 1   -9   13   37 o   75.209   28.034   8.4326   7.3197   6.4457   9.9327   10.794   10.829   73.906   30.934   83.350   33.266 -9.444115 45.42596 
1 1 1   -9   13   38 o  126.397   26.625   25.872   8.4419   31.113   11.875   20.517   12.004  129.379   34.712  102.197   36.217 27.18221 50.16569 
1 1 1   -9   13   39 o   73.592   29.095   8.3750   8.2111   17.319   11.392  -1.2970   11.846   93.469   34.947   63.760   29.651 29.70964 45.83094 
1 1 1   -9   13   40 o   41.423   20.533 -14.6219   8.3159  -6.7210   14.021 -18.9099   10.329   61.645   29.683   44.707   22.280 16.93788 37.11456 
1 1 1   -9   13   41 o   79.916   32.848   12.307   10.922   27.219   12.923 -24.9700   20.433  108.060   37.634   60.422   30.294 47.63827 48.31212 
1 1 1   -9   13   42 o   62.356   28.095   3.1646   9.5693 -10.7100   21.219   6.7067   10.721   65.926   32.701   68.949   30.484 -3.022377 44.70604 
1 1 1   -9   13   43 o   90.360   31.059   17.268   8.7882   26.797   12.513   7.9912   12.346  102.277   36.896   70.019   31.696 32.25829 48.64108 
1 1 1   -9   13   44 o   69.910   28.409   9.6405   8.0533   21.162   11.196  -2.7096   11.592   90.239   34.442   56.181   27.036 34.05828 43.78582 
1 1 1   -9   14    1 o  533.140   11.904  368.959   16.440  369.409   20.746  368.200   26.953  533.110   15.023  531.575   19.575 1.534485 24.67510 
1 1 1   -9   14    2 o  176.106   19.984   40.933   8.9546   44.709   11.533   35.200   14.210  183.253   24.944  160.267   35.193 22.98643 43.13578 
1 1 1   -9   14    3 o  268.210   12.914   93.420   8.9716   87.320   12.969   99.019   12.424  258.134   19.540  275.271   17.516 -17.13763 26.24170 
1 1 1   -9   14    4 o  469.767   12.482  286.547   15.189  274.700   27.580  291.704   18.197  457.918   23.329  473.726   14.829 -15.80801 27.64313 
1 1 1   -9   14    5 o  133.499   19.304   23.699   6.4816   12.260   19.016   25.202   6.8945  115.868   44.719  137.641   19.917 -21.77328 48.95391 
1 1 1   -9   14    6 o  605.539   12.031  476.087   18.871  373.000   32.870  526.772   23.048  534.062   23.760  636.680   13.975 -102.6182 27.56568 
1 1 1   -9   14    7 o  540.111   10.571  378.572   14.789  332.600   31.929  391.130   16.688  504.087   24.453  548.870   11.737 -44.78262 27.12375 
1 1 1   -9   14    8 o  424.401   13.525  234.066   14.869  276.000   29.012  219.127   17.315  458.461   24.519  410.324   16.291 48.13654 29.43756 
1 1 1   -9   14    9 o   83.578   26.434   9.0376   6.4095  -7.3850   19.956   10.927   6.7681   91.821   41.033   90.590   26.893 1.231277 49.06036 
1 1 1   -9   14   10 o  357.070   11.439  165.566   10.581  157.600   23.809  167.527   11.811  345.340   26.826  359.068   12.699 -13.72845 29.68001 
1 1 1   -9   14   11 o  284.875   19.874  106.492   14.573   96.580   21.726  114.600   19.650  268.432   31.868  294.242   26.050 -25.81088 41.16069 
1 1 1   -9   14   12 o  168.292   19.917   37.512   8.5139   6.8000   21.288   43.360   9.2891  111.632   45.869  181.057   20.148 -69.42492 50.09899 
1 1 1   -9   14   13 o  313.988   12.371  128.158   10.061  112.300   26.274  130.883   10.892  287.974   36.009  317.222   13.255 -29.24789 38.37146 
1 1 1   -9   14   14 o  203.927   16.362   54.575   8.5700   53.120   25.110   54.767   9.1175  192.838   49.890  204.111   17.411 -11.27284 52.84120 
1 1 1   -9   14   15 o  272.875   11.677   96.807   8.2540   99.274   11.498   94.184   11.856  275.380   16.191  268.025   17.167 7.355286 23.59736 
1 1 1   -9   14   16 o  326.785   17.343  139.969   14.628  139.969   14.628   0.0000   0.0000  326.785   17.343  ?   ?  0.000000 17.34291 
1 1 1   -9   14   17 o  313.688   11.657  128.033   9.4722  123.652   13.656  132.096   13.150  306.964   17.245  317.579   16.037 -10.61539 23.54908 
1 1 1   -9   14   18 o  207.129   14.235   56.252   7.5913   74.734   11.590   42.369   10.046  237.862   18.969  177.883   22.292 59.97920 29.27035 
1 1 1   -9   14   19 o  175.711   19.861   41.157   8.8810   41.220   12.865   41.100   12.274  172.929   29.797  173.138   28.351 -0.2088318 41.12952 
1 1 1   -9   14   20 o  295.472   12.216  113.908   9.3497  108.082   14.028  118.566   12.542  285.714   19.063  300.201   16.188 -14.48730 25.00964 
1 1 1   -9   14   21 o  178.337   16.777   42.202   7.6590   57.440   11.103   28.366   10.579  207.029   20.994  142.091   29.700 64.93826 36.37040 
1 1 1   -9   14   22 o  142.951   27.598   28.586   9.8490   27.940   11.390   30.500   19.607  139.753   32.136  143.231   46.332 -3.478317 56.38590 
1 1 1   -9   14   23 o  216.216   20.844   62.989   11.529   0.0000   0.0000   62.989   11.529  ?   ?   216.216   20.844 0.000000 20.84366 
1 1 1   -9   14   24 o  124.451   22.336   21.433   6.9358   18.087   10.527   23.999   9.2200  111.896   33.613  129.753   28.235 -17.85638 43.89798 
1 1 1   -9   14   25 o  225.058   20.354   68.523   11.737   0.0000   0.0000   68.523   11.737  ?   ?   225.058   20.354 0.000000 20.35422 
1 1 1   -9   14   26 o  166.132   17.809   37.241   7.5443   36.685   11.132   37.713   10.260  160.499   27.781  164.186   24.907 -3.686951 37.31167 
1 1 1   -9   14   27 f   77.325   27.188   7.7258   6.7521   3.3451   9.9177   11.510   9.2185   74.301   30.988   91.653   31.793 -17.35225 44.39671 
1 1 1   -9   14   28 o  117.624   22.856   19.600   6.7128   19.158   8.9307   20.174   10.178  113.480   29.946  115.518   32.595 -2.038589 44.26272 
1 1 1   -9   14   29 o  166.143   18.641   37.852   7.8838   42.790   11.382   33.297   10.930  172.327   26.335  149.941   29.192 22.38625 39.31594 
1 1 1   -9   14   30 o  107.214   29.586   17.499   8.4847   23.280   11.503   10.600   12.566  120.835   34.837   91.303   36.025 29.53242 50.11422 
1 1 1   -9   14   31 o  127.328   21.829   23.215   6.9406   37.073   11.147   14.442   8.8696  156.925   28.472   96.846   31.145 60.07983 42.19822 
1 1 1   -9   14   32 o   91.531   36.374   11.701   12.895   6.7020   20.949   14.750   16.362   93.715   41.948   99.515   40.472 -5.799698 58.28959 
1 1 1   -9   14   33 o  109.851   25.759   18.376   7.2024   13.858   9.8977   23.460   10.500   93.495   32.913  119.235   32.917 -25.74019 46.54880 
1 1 1   -9   14   34 o  188.144   16.289   48.920   7.8602   54.119   12.638   45.640   10.038  188.767   26.582  176.919   22.406 11.84718 34.76549 
1 1 1   -9   14   35 o  125.854   24.850   24.191   7.8137   31.879   11.014   16.401   11.087  138.958   31.346   97.522   34.779 41.43559 46.82071 
1 1 1   -9   14   36 o   56.399   24.473   1.2104   6.6282   6.0468   8.3929  -6.8054   10.805   70.905   28.929   57.558   27.251 13.34634 39.74259 
1 1 1   -9   14   37 o   79.730   29.312   10.254   7.9515   9.4895   11.562   10.941   10.953   80.234   33.461   82.529   33.273 -2.294823 47.18842 
1 1 1   -9   14   38 o   61.548   26.742   2.7741   7.9339   0.5666   10.900   5.2615   11.571   64.403   29.398   71.922   31.740 -7.518837 43.26284 
1 1 1   -9   14   39 f  183.125   18.742   49.599   8.7652   57.176   13.786   44.457   11.356  179.798   30.702  161.750   28.125 18.04834 41.63741 
1 1 1   -9   14   40 f  155.200   27.465   41.338   10.637   34.303   13.064   55.180   18.324  124.996   37.422  146.402   44.432 -21.40594 58.09116 
1 1 1   -9   14   41 o   50.250   24.979 -17.5189   12.644 -15.1600   16.789 -20.6100   19.219   58.887   29.188   59.703   29.852 -0.8156776 41.74993 
1 1 1   -9   14   42 o   82.570   30.237   13.923   8.4493   18.045   12.520   10.476   11.450   85.686   35.188   73.755   32.086 11.93059 47.62057 
1 1 1   -9   14   43 o   62.066   27.777   4.8532   9.1813   12.282   13.069  -2.3848   12.901   73.928   33.109   58.815   28.359 15.11300 43.59406 
1 1 1   -9   15    1 o  222.109   14.947   64.437   8.5497   53.978   12.788   72.892   11.497  201.518   25.037  235.720   18.991 -34.20235 31.42480 
1 1 1   -9   15    2 o  494.194   10.732  316.975   13.738  322.977   19.851  311.459   19.031  498.302   15.380  489.386   15.013 8.916077 21.49236 
1 1 1   -9   15    3 o  123.302   25.290   20.634   7.8065   33.249   11.246   8.9038   10.845  156.670   28.773   92.333   34.181 64.33709 44.67905 
1 1 1   -9   15    4 o  330.525   16.683  142.585   14.237   0.0000   0.0000  142.585   14.237  ?   ?   330.525   16.683 0.000000 16.68272 
1 1 1   -9   15    5 o  193.090   21.165   49.269   10.412   30.080   20.617   55.839   12.064  149.760   47.414  205.342   23.080 -55.58134 52.73310 
1 1 1   -9   15    6 o  354.754   12.910  163.529   11.863  114.400   24.935  177.903   13.487  292.201   33.552  369.902   14.076 -77.70157 36.38521 
1 1 1   -9   15    7 o  773.299   11.093  776.425   22.220  796.600   47.483  770.768   25.142  779.897   23.505  770.198   12.602 9.698914 26.66984 
1 1 1   -9   15    8 o  145.332   19.219   28.037   7.0577   34.860   20.427   27.112   7.5208  158.778   46.611  142.540   20.999 16.23779 51.12294 
1 1 1   -9   15    9 o  422.372   14.099  232.063   15.425  239.800   28.899  228.981   18.241  426.285   26.300  419.174   16.800 7.110779 31.20779 
1 1 1   -9   15   10 o  512.610   16.845  342.560   22.367  332.500   33.114  351.000   30.331  502.288   25.535  517.532   22.626 -15.24368 34.11699 
1 1 1   -9   15   11 o  166.556   19.194   36.718   8.1293   52.260   23.767   34.659   8.6511  191.939   47.944  161.363   21.211 30.57607 52.42650 
1 1 1   -9   15   12 o  341.939   12.145  152.011   10.757  127.400   25.889  157.147   11.827  307.716   32.994  347.555   13.137 -39.83920 35.51316 
1 1 1   -9   15   13 o  154.247   19.751   31.639   7.7102  -9.3240   21.901   37.434   8.2375   94.068   42.432  168.081   19.268 -74.01225 46.60219 
1 1 1   -9   15   14 o  105.364   27.266   15.243   7.4989   12.420   24.670   15.531   7.8713  124.430   50.018  106.355   28.137 18.07532 57.38892 
1 1 1   -9   15   15 o  283.547   13.753  104.772   10.101   52.500   25.593  114.418   10.994  190.027   50.950  296.234   14.327 -106.2071 52.92622 
1 1 1   -9   15   16 o  181.993   20.806   44.105   9.6321 -22.6100   25.364   55.347   10.412   90.637   42.551  204.335   19.925 -113.6974 46.98523 
1 1 1   -9   15   17 o  273.067   12.250   97.156   8.6649  100.423   13.105   94.618   11.550  275.987   18.438  268.288   16.702 7.698853 24.87836 
1 1 1   -9   15   18 o  105.869   26.614   15.549   7.2904   13.270   10.594   17.600   10.048  101.121   34.109  112.522   32.594 -11.40059 47.17852 
1 1 1   -9   15   19 o  280.250   12.458  102.534   9.0435  105.690   13.685  100.088   12.050  282.510   18.808  275.455   16.970 7.054993 25.33258 
1 1 1   -9   15   20 o  105.412   26.204   15.538   7.1242   17.200   10.644   14.188   9.5886  110.851   33.910  101.812   32.345 9.039085 46.86289 
1 1 1   -9   15   21 o  237.599   15.150   74.518   9.2754   79.360   14.033   70.761   12.360  242.509   22.600  229.516   21.024 12.99290 30.86687 
1 1 1   -9   15   22 o   81.907   30.806   7.4356   8.8779   0.0000   0.0000   7.4356   8.8779  ?   ?    81.907   30.806 0.000000 30.80640 
1 1 1   -9   15   23 o  108.073   25.679   16.545   7.0824   12.171   10.195   20.624   9.8460   95.760   33.422  119.210   31.436 -23.45076 45.88325 
1 1 1   -9   15   24 o  158.868   18.764   34.153   7.5724   41.727   10.811   26.859   10.609  173.259   24.797  135.901   30.844 37.35864 39.57632 
1 1 1   -9   15   25 o  225.119   20.798   68.966   11.991   0.0000   0.0000   68.966   11.991  ?   ?   225.119   20.798 0.000000 20.79798 
1 1 1   -9   15   26 o  103.144   25.697   15.318   6.8402   12.203   9.7504   18.336   9.5984   94.012   32.692  111.172   31.753 -17.16019 45.57483 
1 1 1   -9   15   27 o   72.960   26.808   6.4699   6.6498   6.5841   9.6304   6.3658   9.1932   79.723   31.512   78.284   30.838 1.438286 44.09051 
1 1 1   -9   15   28 o  121.310   20.759   20.645   6.2885   24.001   8.7255   17.018   9.0711  127.865   27.182  106.150   31.033 21.71527 41.25367 
1 1 1   -9   15   29 o  254.143   14.474   86.613   9.4889   93.710   15.921   82.703   11.817  256.754   24.225  245.530   18.721 11.22462 30.61611 
1 1 1   -9   15   30 o   99.146   29.415   15.084   8.0988   9.2571   10.347   24.300   13.013   84.680   32.901  120.532   37.599 -35.85182 49.96126 
1 1 1   -9   15   31 o   53.258   23.927  -1.6709   6.8826   2.1599   10.507  -4.5496   9.1086   70.792   30.767   56.921   26.306 13.87041 40.47967 
1 1 1   -9   15   32 o   52.357   24.494  -5.5941   8.2801 -11.8200   18.852  -4.1059   9.2167   73.410   35.103   57.461   26.523 15.94909 43.99596 
1 1 1   -9   15   33 o  194.554   17.170   52.641   8.5640   59.542   12.879   47.171   11.467  199.172   25.552  176.868   25.787 22.30399 36.30270 
1 1 1   -9   15   34 o   92.770   28.727   13.862   7.6121   12.194   10.725   15.556   10.805   87.927   33.674   95.690   34.313 -7.763252 48.07611 
1 1 1   -9   15   35 o   45.259   21.264  -4.7289   6.3545   2.9557   8.2316 -16.0618   9.9965   64.339   27.591   47.188   23.225 17.15164 36.06432 
1 1 1   -9   15   36 o   71.087   28.136   6.9188   7.6871  -4.3263   11.123   17.201   10.636   60.334   28.277   96.817   34.114 -36.48299 44.31030 
1 1 1   -9   15   37 o   64.882   27.562   4.2708   8.0755   12.681   11.631  -3.5577   11.221   84.642   34.231   60.439   28.351 24.20330 44.44669 
1 1 1   -9   15   38 f   66.759   27.384   5.9912   7.5711   12.444   11.254   0.6567   10.233   82.339   33.536   62.328   28.463 20.01077 43.98647 
1 1 1   -9   15   39 f   48.123   23.328  -8.7850   9.0255 -13.5200   13.451  -4.9077   12.172   55.140   27.100   59.122   28.253 -3.982372 39.14891 
1 1 1   -9   15   40 o   57.202   26.327   0.0359   8.9871  -0.9307   12.328   1.1324   13.130   62.130   29.321   65.282   30.637 -3.152527 42.40704 
1 1 1   -9   15   41 o   57.713   27.020  -0.6445   10.108   5.7590   22.283  -2.3037   11.343   73.609   35.901   58.159   27.646 15.45086 45.31254 
1 1 1   -9   15   42 o   59.108   26.686   3.1065   8.6851   2.0513   12.358   4.1363   12.208   62.501   29.454   64.506   30.032 -2.004852 42.06519 
1 1 1   -9   15   43 f   68.797   28.022   9.4594   7.8589   16.793   11.463   2.9550   10.795   79.720   33.287   60.024   28.044 19.69616 43.52622 
1 1 1   -9   16    1 o  320.737   12.430  133.664   10.327  140.473   15.414  128.118   13.910  327.704   18.231  313.087   17.218 14.61697 25.07653 
1 1 1   -9   16    2 o   93.722   29.525   11.461   8.0023   25.045   11.962   0.4557   10.766  134.852   34.195   74.939   31.829 59.91310 46.71588 
1 1 1   -9   16    3 o  267.880   14.073   93.584   9.7306   88.664   14.461   97.655   13.154  259.469   21.716  272.951   18.717 -13.48193 28.66939 
1 1 1   -9   16    4 o  207.978   17.328   56.767   9.2500   59.759   13.674   54.244   12.560  211.877   25.423  201.923   24.516 9.954651 35.31768 
1 1 1   -9   16    5 o  531.429   11.273  366.800   15.518  386.956   22.660  348.996   21.296  545.053   16.050  517.658   15.882 27.39478 22.57958 
1 1 1   -9   16    6 o  412.142   14.122  220.992   15.076  214.100   27.990  223.809   17.894  402.401   27.009  414.393   16.670 -11.99203 31.73974 
1 1 1   -9   16    7 o  170.695   17.504   38.398   7.6300   17.220   22.094   41.266   8.1302  128.162   48.509  176.934   17.990 -48.77232 51.73755 
1 1 1   -9   16    8 o  417.359   14.070  226.691   15.210  221.200   28.641  228.848   17.951  408.736   27.207  418.956   16.541 -10.21982 31.84117 
1 1 1   -9   16    9 o  306.568   14.244  122.353   11.311  122.600   25.446  122.292   12.627  301.833   33.089  305.877   15.993 -4.043945 36.75106 
1 1 1   -9   16   10 o  367.478   11.844  175.555   11.274  184.200   27.747  173.845   12.338  371.896   29.033  365.541   13.031 6.354828 31.82358 
1 1 1   -9   16   11 o  246.311   14.156   79.279   8.9937   60.060   25.798   81.938   9.5957  204.616   49.264  250.309   14.866 -45.69212 51.45832 
1 1 1   -9   16   12 o  412.572   11.613  221.356   12.410  182.600   30.368  229.126   13.597  368.496   32.137  419.614   12.510 -51.11768 34.48566 
1 1 1   -9   16   13 o  263.792   14.088   90.961   9.5913   69.970   26.502   94.125   10.289  220.708   47.745  268.214   14.867 -47.50516 50.00574 
1 1 1   -9   16   14 o  128.094   25.005   22.427   7.9990 -19.3400   22.370   28.550   8.5654   85.977   40.234  145.302   23.565 -59.32435 46.62708 
1 1 1   -9   16   15 o  150.029   22.125   30.303   8.3400  -8.3720   25.262   35.034   8.8354  101.531   45.706  161.651   21.644 -60.12023 50.57169 
1 1 1   -9   16   16 o  260.011   15.556   88.778   10.429   0.0000   0.0000   88.778   10.429  ?   ?   260.011   15.556 0.000000 15.55591 
1 1 1   -9   16   17 o  229.647   18.508   69.858   10.916   0.0000   0.0000   69.858   10.916  ?   ?   229.647   18.508 0.000000 18.50817 
1 1 1   -9   16   18 o  247.971   16.609   81.180   10.606   54.810   29.259   85.170   11.380  187.191   55.996  253.779   17.418 -66.58815 58.64215 
1 1 1   -9   16   19 o  130.374   22.001   23.233   7.1654   22.421   10.347   23.982   9.9322  125.376   31.810  130.106   30.073 -4.730331 43.77578 
1 1 1   -9   16   20 o  189.722   16.737   47.868   8.1409   33.370   12.442   58.721   10.765  152.557   32.482  209.135   20.120 -56.57834 38.20860 
1 1 1   -9   16   21 o   74.488   35.090 -15.1000   17.512   0.0000   0.0000 -15.1000   17.512  ?   ?    74.488   35.090 0.000000 35.09021 
1 1 1   -9   16   22 o   82.156   27.032   9.0608   6.6619   6.4915   9.8932   11.192   9.0112   81.577   32.036   91.574   31.452 -9.996552 44.89503 
1 1 1   -9   16   23 o   81.877   26.861   9.0745   6.5795  -8.7028   9.9358   22.958   8.7805   56.872   26.678  126.587   27.560 -69.71426 38.35678 
1 1 1   -9   16   24 o  247.951   13.094   81.231   8.3798   78.452   12.889   83.266   11.029  240.017   20.941  249.289   17.185 -9.272369 27.08936 
1 1 1   -9   16   25 o   81.216   26.303   9.1146   6.3178   13.284   9.2400   5.4540   8.6578   96.438   31.841   75.319   29.844 21.11974 43.64110 
1 1 1   -9   16   26 o  133.160   20.769   24.666   6.9300   22.943   9.7345   26.436   9.8680  123.892   30.530  133.819   29.282 -9.926453 42.30281 
1 1 1   -9   16   27 o   75.823   27.213   7.4680   6.7975   9.3640   9.3926   5.3829   9.8498   85.090   31.749   77.054   31.377 8.036842 44.63762 
1 1 1   -9   16   28 o  261.825   19.528   94.469   13.149   0.0000   0.0000   94.469   13.149  ?   ?   261.825   19.528 0.000000 19.52849 
1 1 1   -9   16   29 o  110.799   30.497   19.126   9.0288   9.6300   12.295   30.240   13.301   88.053   35.341  134.864   36.972 -46.81181 51.14600 
1 1 1   -9   16   30 o   91.488   27.199   12.752   6.9193   10.344   9.6199   15.333   9.9596   85.417   32.080   98.248   33.073 -12.83041 46.07489 
1 1 1   -9   16   31 o   82.864   35.134   7.1594   13.081 -10.4200   20.180   19.900   17.179   76.684   36.571  106.429   42.082 -29.74489 55.75190 
1 1 1   -9   16   32 o   72.465   27.689   6.9128   7.2415   12.784   10.543   1.6693   9.9636   90.100   33.633   67.471   29.626 22.62970 44.82083 
1 1 1   -9   16   33 o   82.509   28.810   10.554   7.5758   10.586   10.882   10.524   10.553   84.584   33.477   84.182   33.079 0.4013596 47.06272 
1 1 1   -9   16   34 o  151.560   19.669   33.244   7.5397   46.010   10.577   20.057   10.750  174.352   24.061  105.761   34.318 68.59181 41.91225 
1 1 1   -9   16   35 f   54.189   24.474  -0.9612   7.3128   0.9793   10.801  -2.6034   9.9364   66.139   29.820   59.423   27.467 6.715965 40.54211 
1 1 1   -9   16   36 o  167.558   19.715   41.443   8.3931   54.844   12.909   31.631   11.046  182.201   28.269  132.645   32.423 49.55595 43.01641 
1 1 1   -9   16   37 o  129.083   23.981   26.599   7.7232   19.235   10.343   35.880   11.611   98.572   33.701  139.201   32.749 -40.62885 46.99162 
1 1 1   -9   16   38 o   53.406   24.934  -2.5720   8.5101 -20.5316   12.068   15.190   12.002   47.982   23.940   85.559   34.713 -37.57640 42.16726 
1 1 1   -9   16   39 o   61.854   28.283   1.8796   10.145   11.312   12.903 -13.3900   16.417   77.264   33.825   59.438   29.351 17.82606 44.78409 
1 1 1   -9   16   40 o   37.787   19.136 -25.0035   9.3589 -21.3338   10.817 -35.9300   18.665   43.486   21.836   52.567   26.664 -9.080978 34.46418 
1 1 1   -9   16   41 o   59.151   26.047   3.8762   7.7504 -12.8580   10.187   26.871   11.942   46.356   22.934  103.260   36.165 -56.90370 42.82342 
1 1 1   -9   16   42 o   51.750   24.608  -2.3039   9.0013   12.377   12.802 -16.6563   12.658   72.606   32.625   48.473   24.235 24.13220 40.64171 
1 1 1   -9   16   43 o   53.597   26.759 -11.1965   15.184  -2.6120   21.316 -20.0400   21.635   62.023   31.075   56.414   28.625 5.608803 42.24943 
1 1 1   -9   17    1 o  699.120   11.131  634.938   20.158  645.510   29.102  625.189   27.949  703.799   15.963  692.735   15.575 11.06378 22.30306 
1 1 1   -9   17    2 o  621.408   10.984  501.598   17.679  483.221   24.942  520.154   25.064  608.957   15.812  631.919   15.312 -22.96277 22.01101 
1 1 1   -9   17    3 o  311.262   13.418  126.040   10.819  124.033   15.951  127.750   14.723  307.278   20.152  312.251   18.282 -4.972748 27.20889 
1 1 1   -9   17    4 o  605.499   11.220  476.348   17.598  480.848   25.586  472.308   24.243  607.294   16.265  602.050   15.545 5.244019 22.49906 
1 1 1   -9   17    5 o  223.658   17.136   65.653   9.8519   64.253   14.834   66.757   13.178  219.204   26.676  224.379   22.998 -5.174210 35.22066 
1 1 1   -9   17    6 o   84.365   32.926   6.0139   10.398   7.1150   20.600   5.6374   12.045  110.187   45.181   87.984   35.095 22.20316 57.20977 
1 1 1   -9   17    7 o  518.722   16.843  351.204   22.630  344.500   33.718  356.700   30.528  511.214   25.463  521.151   22.614 -9.937012 34.05547 
1 1 1   -9   17    8 o  580.842   12.471  438.898   18.763  420.800   37.034  445.149   21.763  564.850   25.311  584.538   14.374 -19.68756 29.10781 
1 1 1   -9   17    9 f  335.849   12.168  146.734   10.586  123.300   27.943  150.661   11.438  300.615   36.643  340.209   12.980 -39.59406 38.87379 
1 1 1   -9   17   10 o  193.053   16.506   49.032   8.1745   53.230   25.534   48.552   8.6286  191.607   50.670  191.906   17.553 -0.2990570 53.62408 
1 1 1   -9   17   11 o  479.808   11.239  299.433   13.968  288.200   32.859  301.910   15.432  465.130   27.394  481.573   12.371 -16.44275 30.05754 
1 1 1   -9   17   12 o  152.425   20.872   31.103   8.0242   38.420   24.433   30.218   8.4954  163.862   51.586  149.793   22.598 14.06865 56.31820 
1 1 1   -9   17   13 o  160.287   19.804   34.270   8.0475   24.470   25.425   35.361   8.4837  140.938   52.305  162.667   20.596 -21.72894 56.21380 
1 1 1   -9   17   14 o   63.683   26.677   1.1800   7.3962 -103.1000   25.222   10.991   7.7363  ?   ?    91.110   29.065 0.000000 29.06498 
1 1 1   -9   17   15 o  209.802   19.712   58.530   10.587   0.0000   0.0000   58.530   10.587  ?   ?   209.802   19.712 0.000000 19.71163 
1 1 1   -9   17   16 o  145.971   26.180   29.362   9.5352   8.7500   27.258   32.236   10.178  120.627   50.907  152.957   26.659 -32.32962 57.46457 
1 1 1   -9   17   17 o  351.559   13.020  161.667   11.857   85.440   31.509  174.241   12.797  234.658   53.081  364.827   13.542 -130.1693 54.78077 
1 1 1   -9   17   18 o  137.109   25.024   26.042   8.5599 -20.8700   25.335   32.088   9.0948   89.229   42.087  153.008   23.715 -63.77872 48.30835 
1 1 1   -9   17   19 o   67.380   28.625   1.0471   8.7113   0.0000   0.0000   1.0471   8.7113  ?   ?    67.380   28.625 0.000000 28.62474 
1 1 1   -9   17   20 o  143.388   46.890   31.820   20.055   0.0000   0.0000   31.820   20.055  ?   ?   143.388   46.890 0.000000 46.88963 
1 1 1   -9   17   21 o  112.520   22.297   17.656   6.2688   7.1652   10.381   23.677   7.8648   83.978   32.864  130.029   24.242 -46.05081 40.83789 
1 1 1   -9   17   22 o   84.325   26.763   9.8318   6.5659   6.2846   9.8832   12.634   8.7848   80.644   31.908   94.943   31.032 -14.29891 44.51006 
1 1 1   -9   17   23 o  211.402   15.420   59.623   8.3855   50.221   12.119   68.258   11.615  189.273   25.357  223.987   20.237 -34.71356 32.44243 
1 1 1   -9   17   24 o   81.902   27.405   9.1812   6.8379   17.216   10.084   2.3424   9.3035  107.535   33.025   70.466   29.739 37.06941 44.44183 
1 1 1   -9   17   25 o   53.184   23.353  -0.7634   6.1914   3.9734   9.0766  -4.8854   8.4671   72.667   29.916   55.491   25.544 17.17669 39.33761 
1 1 1   -9   17   26 o   51.449   22.449  -0.3669   5.6412   7.2068   7.8865  -8.3022   8.0726   76.968   29.018   49.371   23.426 27.59710 37.29399 
1 1 1   -9   17   27 o   45.846   21.354  -4.6939   6.1831   0.4220   9.4478  -8.5266   8.1776   66.196   28.963   49.281   23.440 16.91518 37.25992 
1 1 1   -9   17   28 o  104.285   27.866   16.581   7.6711   7.7790   11.939   22.770   10.011   83.979   34.410  120.097   31.712 -36.11751 46.79467 
1 1 1   -9   17   29 o   66.240   26.018   4.8199   6.5262   6.7823   9.1961   2.8288   9.2632   76.539   30.619   68.767   29.373 7.771973 42.42952 
1 1 1   -9   17   30 o  192.068   21.419   52.932   10.475   62.649   12.681   32.060   18.585  206.467   24.168  126.605   45.043 79.86241 51.11718 
1 1 1   -9   17   31 o   68.015   28.669   3.8189   8.6288  -1.8470   17.743   5.5740   9.8753   78.347   36.386   73.970   30.892 4.376549 47.73096 
1 1 1   -9   17   32 o   54.749   24.591  -1.0340   7.2648   9.7563   10.654 -10.4109   9.9319   82.549   32.980   51.985   25.019 30.56311 41.39627 
1 1 1   -9   17   33 o   59.786   24.911   3.0314   6.4003  -0.6505   8.9303   6.9200   9.1776   60.027   27.084   74.075   30.240 -14.04866 40.59577 
1 1 1   -9   17   34 o  129.031   35.136   30.732   12.060   30.732   12.060   0.0000   0.0000  129.031   35.136  ?   ?  0.000000 35.13633 
1 1 1   -9   17   35 o  138.363   23.478   29.747   8.1136   39.380   12.178   22.057   10.880  148.751   32.513  107.075   34.502 41.67649 47.40702 
1 1 1   -9   17   36 f  119.609   27.394   24.256   8.3049   25.114   11.698   23.384   11.792  110.397   35.796  105.857   35.985 4.539162 50.75700 
1 1 1   -9   17   37 o   69.165   28.810   7.0149   8.5573   12.379   12.510   2.2984   11.731   80.617   34.277   65.935   30.247 14.68157 45.71391 
1 1 1   -9   17   38 o   59.804   27.865  -0.3290   10.543   6.5520   14.063  -9.1590   15.930   71.845   33.016   61.160   29.942 10.68536 44.57103 
1 1 1   -9   17   39 f   50.246   23.843  -3.8341   8.3654   12.850   11.462 -22.8506   12.237   78.056   32.980   46.069   23.145 31.98666 40.29099 
1 1 1   -9   17   40 o   55.635   26.590  -2.9831   10.789   28.040   22.678 -12.0593   12.267   85.255   40.092   51.409   25.383 33.84573 47.45150 
1 1 1   -9   17   41 o   78.414   30.710   13.913   9.0698   32.313   13.029  -3.3876   12.634  107.513   37.768   56.947   27.605 50.56573 46.78105 
1 1 1   -9   17   42 o   48.935   23.389  -2.7596   8.3499   7.7768   11.765 -13.4528   11.852   64.845   29.943   47.764   23.814 17.08107 38.25816 
1 1 1   -9   18    1 o  453.720   11.382  267.616   13.377  284.227   19.633  253.222   18.276  466.693   16.240  440.549   16.015 26.14328 22.80869 
1 1 1   -9   18    2 o  619.846   11.138  499.397   17.883  514.136   25.999  486.164   24.636  627.735   15.989  610.533   15.578 17.20123 22.32322 
1 1 1   -9   18    3 f  301.130   19.490  119.231   15.121   0.0000   0.0000  119.231   15.121  ?   ?   301.130   19.490 0.000000 19.49044 
1 1 1   -9   18    4 o  402.377   27.108  215.200   28.090  215.200   28.090   0.0000   0.0000  402.377   27.108  ?   ?  0.000000 27.10814 
1 1 1   -9   18    5 o  195.280   30.192   51.847   14.779   44.210   23.325   56.970   19.104  175.554   49.277  202.445   37.821 -26.89041 62.11819 
1 1 1   -9   18    6 o  623.246   13.315  505.901   21.495  540.500   27.635  452.900   34.202  643.218   16.586  586.668   22.507 56.54999 27.95797 
1 1 1   -9   18    7 o  672.154   13.220  588.489   23.017  607.500   42.806  580.757   27.299  678.312   24.363  666.910   15.803 11.40216 29.03917 
1 1 1   -9   18    8 o  472.026   10.926  289.749   13.359  304.800   32.234  286.628   14.678  478.914   26.083  469.266   12.076 9.648132 28.74239 
1 1 1   -9   18    9 o  251.847   14.103   82.989   9.1634   45.540   24.167   89.278   9.9029  176.853   50.340  261.131   14.700 -84.27803 52.44263 
1 1 1   -9   18   10 o  583.295   11.125  442.737   16.809  392.300   36.647  456.175   18.916  543.368   26.037  591.760   12.340 -48.39178 28.81383 
1 1 1   -9   18   11 o  255.290   14.625   85.417   9.6306  127.400   27.448   79.522   10.284  304.177   35.504  245.953   16.234 58.22424 39.03953 
1 1 1   -9   18   12 o   74.117   27.989   5.5299   7.3446 -29.8300   25.385   8.7603   7.6727   85.248   40.755   84.127   29.015 1.121765 50.02860 
1 1 1   -9   18   13 o   46.944   22.172  -7.8012   7.0753   0.0000   0.0000  -7.8012   7.0753  ?   ?    46.944   22.172 0.000000 22.17234 
1 1 1   -9   18   14 o  246.147   18.222   80.253   11.535   0.0000   0.0000   80.253   11.535  ?   ?   246.147   18.222 0.000000 18.22151 
1 1 1   -9   18   15 o  304.355   15.751  122.013   12.375   46.080   29.154  138.702   13.668  172.031   56.548  324.359   16.320 -152.3283 58.85549 
1 1 1   -9   18   16 o  315.664   13.661  130.607   11.170   98.620   31.089  135.349   11.970  254.268   48.979  321.134   14.390 -66.86642 51.04948 
1 1 1   -9   18   17 o  111.066   27.825   17.484   7.9884 -29.7600   26.071   22.380   8.3921   84.685   40.701  126.201   26.515 -41.51575 48.57592 
1 1 1   -9   18   18 o  308.145   14.768  125.091   11.787   0.0000   0.0000  125.091   11.787  ?   ?   308.145   14.768 0.000000 14.76757 
1 1 1   -9   18   19 o   70.585   32.670  -8.7896   14.127   0.0000   0.0000  -8.7896   14.127  ?   ?    70.585   32.670 0.000000 32.67016 
1 1 1   -9   18   20 o   65.830   27.609   1.8610   7.9373   5.1290   24.891   1.4911   8.3745  107.352   46.990   66.540   28.156 40.81200 54.77944 
1 1 1   -9   18   21 o  156.082   24.136   34.051   9.4432   17.240   21.419   38.107   10.521  116.634   46.704  164.621   25.497 -47.98676 53.21063 
1 1 1   -9   18   22 o  163.458   17.474   36.131   7.2839   30.560   10.179   41.977   10.428  145.501   28.023  173.364   23.853 -27.86371 36.80052 
1 1 1   -9   18   23 o   67.541   26.139   4.6874   6.5111   2.8762   9.4468   6.3264   8.9865   71.729   30.103   77.803   30.540 -6.074425 42.88226 
1 1 1   -9   18   24 o  165.375   17.833   37.276   7.5182   37.119   10.822   37.423   10.452  160.131   27.055  161.512   25.856 -1.380646 37.42307 
1 1 1   -9   18   25 o  166.481   17.390   37.829   7.3884   33.236   10.463   42.397   10.435  150.156   27.928  172.594   23.989 -22.43831 36.81638 
1 1 1   -9   18   26 o   87.854   26.371   11.394   6.4811   11.117   8.9897   11.694   9.3525   88.087   31.328   89.903   31.956 -1.816872 44.75121 
1 1 1   -9   18   27 o   57.509   25.381  -0.4647   7.3993  -2.0260   10.212   1.2610   10.736   64.050   28.926   70.316   30.817 -6.265862 42.26574 
1 1 1   -9   18   28 o  262.234   13.727   92.653   9.2916   89.506   14.051   95.099   12.387  250.442   21.879  261.721   18.388 -11.27902 28.57956 
1 1 1   -9   18   29 o  165.460   18.622   38.521   7.8426   40.921   11.902   36.678   10.426  161.635   29.514  155.098   26.929 6.536743 39.95338 
1 1 1   -9   18   30 o   62.025   28.071  -1.2883   9.6775   1.3400   16.111  -2.7720   12.105   78.631   35.833   66.316   30.533 12.31461 47.07740 
1 1 1   -9   18   31 o  173.575   17.511   42.414   7.7657   37.330   12.297   45.785   10.015  148.829   32.784  176.068   22.472 -27.23907 39.74690 
1 1 1   -9   18   32 o   59.538   25.321   2.4335   6.8296   0.8339   10.542   3.5904   8.9654   66.064   29.651   67.037   28.772 -0.9736557 41.31597 
1 1 1   -9   18   33 o  105.615   27.693   18.440   7.6692   17.357   11.327   19.357   10.421   96.499   35.060  102.572   33.813 -6.073502 48.70805 
1 1 1   -9   18   34 o   42.149   20.570 -10.2709   7.3459 -19.4188   10.903  -2.6656   9.9411   46.737   23.226   58.515   27.195 -11.77813 35.76339 
1 1 1   -9   18   35 o   81.981   29.056   11.814   7.7262   3.6770   10.494   21.448   11.418   67.089   29.884  101.895   35.381 -34.80585 46.31220 
1 1 1   -9   18   36 o   41.479   20.360 -10.8537   7.5166  -3.9350   12.303 -14.9745   9.4947   60.266   28.689   44.585   22.072 15.68079 36.19729 
1 1 1   -9   18   37 o  117.088   30.464   26.076   9.3277   34.990   13.368   17.618   13.022  122.451   38.093   86.851   35.802 35.59982 52.27713 
1 1 1   -9   18   38 o   51.611   24.811  -5.6172   9.7022  -5.9727   12.321  -5.0370   15.741   56.592   27.391   62.234   30.314 -5.642490 40.85566 
1 1 1   -9   18   39 o   94.160   34.815   21.921   11.244   29.290   13.707   6.7610   19.661  102.093   38.302   71.182   34.489 30.91055 51.54147 
1 1 1   -9   18   40 o  132.999   26.958   32.832   8.9691   34.970   12.811   30.776   12.561  114.928   37.471  106.320   37.099 8.607529 52.72921 
1 1 1   -9   18   41 f   59.708   26.985   4.9123   8.9082   23.540   12.353 -15.2678   12.858   87.988   35.385   48.644   24.336 39.34470 42.94639 
1 1 1   -9   19    1 o  185.246   31.854   47.166   14.734   46.230   22.059   47.920   19.798  178.924   46.991  183.340   42.515 -4.415878 63.36939 
1 1 1   -9   19    2 o  468.058   17.404  286.748   21.101  268.200   30.535  303.700   29.192  448.908   26.376  479.629   23.497 -30.72147 35.32377 
1 1 1   -9   19    3 o  355.670   15.933  165.317   14.679  162.412   18.536  170.200   24.037  350.941   20.480  357.306   26.152 -6.365021 33.21733 
1 1 1   -9   19    4 o  156.419   24.276   33.075   9.5170   19.243   14.058   44.778   12.931  120.004   39.258  181.303   28.472 -61.29984 48.49598 
1 1 1   -9   19    5 o   82.986   31.142   7.1126   9.0621   1.3258   14.234   11.057   11.752   86.002   36.564   98.073   35.699 -12.07061 51.10095 
1 1 1   -9   19    6 o  205.314   19.713   55.896   10.355   55.684   15.848   56.054   13.678  201.454   31.393  203.723   26.552 -2.269119 41.11556 
1 1 1   -9   19    7 o  469.045   11.967  286.573   14.540  264.129   21.079  306.943   20.082  448.646   18.139  484.340   16.007 -35.69370 24.19127 
1 1 1   -9   19    8 o  237.395   19.923   74.697   12.138   80.080   24.498   72.946   13.974  237.574   41.309  233.569   23.412 4.005264 47.48223 
1 1 1   -9   19    9 o  387.288   11.742  195.447   11.780  168.400   28.204  201.163   12.965  351.848   31.272  392.697   12.745 -40.84933 33.76968 
1 1 1   -9   19   10 o  284.210   13.362  105.496   9.8368   61.750   27.197  112.081   10.551  202.270   51.709  292.842   13.910 -90.57211 53.54758 
1 1 1   -9   19   11 o   60.701   25.814   0.4124   7.0982   0.0000   0.0000   0.4124   7.0982  ?   ?    60.701   25.814 0.000000 25.81437 
1 1 1   -9   19   12 o  363.057   15.481  172.960   14.559   0.0000   0.0000  172.960   14.559  ?   ?   363.057   15.481 0.000000 15.48091 
1 1 1   -9   19   13 f  169.722   20.035   38.690   8.6383   7.4230   26.137   42.524   9.1526  116.290   49.497  177.980   20.211 -61.68940 53.46440 
1 1 1   -9   19   14 o  187.118   18.246   46.743   8.7314   46.880   27.722   46.728   9.1996  171.726   55.044  186.762   19.295 -15.03658 58.32808 
1 1 1   -9   19   15 o  277.192   14.342  101.237   10.263   64.520   28.877  106.545   10.980  199.156   54.426  284.171   14.969 -85.01491 56.44667 
1 1 1   -9   19   16 o  196.445   18.351   51.707   9.2299   18.780   28.592   55.538   9.7520  129.288   53.145  203.517   18.708 -74.22911 56.34181 
1 1 1   -9   19   17 o   55.335   25.197  -4.1233   7.9452   0.0000   0.0000  -4.1233   7.9452  ?   ?    55.335   25.197 0.000000 25.19654 
1 1 1   -9   19   18 o   78.983   34.634  -0.2574   13.576   0.0000   0.0000  -0.2574   13.576  ?   ?    78.983   34.634 0.000000 34.63375 
1 1 1   -9   19   19 o  215.990   19.196   63.094   10.628   44.570   26.034   66.798   11.642  160.495   53.469  221.633   20.511 -61.13789 57.26810 
1 1 1   -9   19   20 o   51.525   23.832  -5.1967   7.4994 -24.1100   23.828  -3.1173   7.9009   80.839   38.867   56.295   25.431 24.54405 46.44780 
1 1 1   -9   19   21 f  252.782   15.540   85.383   10.126   91.360   27.291   84.429   10.904  235.857   46.323  250.666   16.892 -14.80861 49.30718 
1 1 1   -9   19   22 o  265.963   14.431   94.288   9.9046   41.010   26.991  102.578   10.647  148.694   54.105  277.192   14.883 -128.4982 56.11524 
1 1 1   -9   19   23 o  196.206   19.608   52.949   9.8319   27.910   25.848   57.184   10.631  128.239   51.322  203.459   20.449 -75.21950 55.24543 
1 1 1   -9   19   24 o   87.980   25.648   11.339   6.2042   10.790   8.6786   11.914   8.8726   87.319   30.811   90.569   31.204 -3.249733 43.85163 
1 1 1   -9   19   25 o  103.996   25.762   16.125   6.9040   18.795   10.264   13.918   9.3302  108.851   33.299   95.569   32.011 13.28281 46.19057 
1 1 1   -9   19   26 o  115.539   28.297   20.548   8.4014   6.1760   11.641   36.170   12.137   80.074   33.500  151.394   31.953 -71.31938 46.29493 
1 1 1   -9   19   27 o  136.089   21.619   26.757   7.3660   34.293   10.742   20.068   10.120  148.803   28.910  110.432   32.909 38.37160 43.80403 
1 1 1   -9   19   28 o  108.418   25.821   18.080   7.1477   18.810   10.422   17.432   9.8218  105.493   33.743  102.309   32.761 3.183945 47.03050 
1 1 1   -9   19   29 o  129.286   39.348   31.494   14.356   45.500   24.040   23.730   17.898  136.275   50.804  109.226   43.027 27.04913 66.57602 
1 1 1   -9   19   30 o   55.113   24.047   0.7244   6.4722  -7.4313   11.004   5.0384   8.0030   57.766   27.393   68.343   28.108 -10.57674 39.24809 
1 1 1   -9   19   31 f  119.909   26.084   22.769   7.8711   10.945   11.436   33.411   10.849   83.952   33.946  141.438   30.510 -57.48637 45.64229 
1 1 1   -9   19   32 o   49.836   23.246  -3.8733   7.3693  -5.3557   10.613  -2.4933   10.240   57.773   27.247   60.082   27.811 -2.309258 38.93399 
1 1 1   -9   19   33 o  128.762   26.588   27.137   8.5743   19.812   12.406   33.836   11.864   98.582   36.546  134.976   33.961 -36.39459 49.88989 
1 1 1   -9   19   34 o   51.316   23.657  -1.9499   7.2983   1.7205   9.9363  -6.2502   10.755   63.164   28.528   55.689   26.597 7.475033 39.00324 
1 1 1   -9   19   35 o   88.845   29.746   14.853   8.0563   6.7383   12.474   20.659   10.552   72.086   32.311   99.255   34.038 -27.16927 46.93191 
1 1 1   -9   19   36 o   50.748   23.537  -1.6713   7.3870  -6.7126   9.6562   5.4416   11.470   51.025   24.585   67.972   30.680 -16.94740 39.31530 
1 1 1   -9   19   37 o   68.698   30.015   7.5944   10.114  -2.2633   13.054   22.400   15.998   60.585   29.033   88.037   38.112 -27.45278 47.91097 
1 1 1   -9   19   38 o   72.756   29.153   10.476   8.3515   20.775   11.257  -2.1320   12.455   91.171   34.597   58.801   28.227 32.37027 44.65107 
1 1 1   -9   19   39 o   51.040   24.828  -6.2530   10.463 -15.5300   22.556  -3.7097   11.810   60.778   30.649   55.444   26.831 5.334152 40.73394 
1 1 1   -9   19   40 f   49.224   23.590  -3.1038   8.6185  -2.6557   12.430  -3.5186   11.960   55.786   27.120   54.521   26.527 1.265778 37.93672 
1 1 1   -9   19   41 o   55.174   25.561   2.9860   8.6766   4.5051   12.345   1.5031   12.197   59.749   28.525   57.069   27.532 2.679970 39.64390 
1 1 1   -9   20    1 o  341.682   13.358  152.365   11.823  141.904   17.581  161.000   15.973  327.336   20.844  349.800   17.686 -22.46390 27.33621 
1 1 1   -9   20    2 o  553.549   11.441  399.109   16.404  423.929   24.219  378.070   22.298  568.795   16.438  537.306   16.021 31.48938 22.95408 
1 1 1   -9   20    3 o  244.056   16.843   78.463   10.582   66.949   15.508   88.497   14.477  222.162   27.539  257.827   21.883 -35.66521 35.17451 
1 1 1   -9   20    4 o  243.350   16.816   78.027   10.535   90.071   15.699   68.160   14.209  259.493   23.614  225.076   24.783 34.41728 34.23145 
1 1 1   -9   20    5 o   75.412   30.853   3.2512   9.5794  -0.8355   13.932   6.9153   13.192   81.523   35.429   92.079   36.728 -10.55575 51.03102 
1 1 1   -9   20    6 o  309.385   14.803  125.272   11.863  122.037   17.824  127.845   15.895  302.375   22.928  310.664   19.856 -8.288483 30.33053 
1 1 1   -9   20    7 o  127.733   30.710   22.957   10.036   3.9310   15.018   38.309   13.490   91.168   38.087  165.099   32.700 -73.93092 50.19901 
1 1 1   -9   20    8 o  196.903   22.730   52.199   11.380   67.840   19.700   44.366   13.941  219.262   35.931  178.300   31.329 40.96187 47.67163 
1 1 1   -9   20    9 o  251.154   16.126   83.206   10.436   0.0000   0.0000   83.206   10.436  ?   ?   251.154   16.126 0.000000 16.12640 
1 1 1   -9   20   10 o  313.614   14.660  129.014   11.909   65.320   28.982  141.954   13.063  203.733   54.034  328.769   15.339 -125.0363 56.16890 
1 1 1   -9   20   11 o  261.713   14.543   90.175   9.8202   60.830   25.440   95.313   10.645  198.130   49.666  268.842   15.350 -70.71199 51.98379 
1 1 1   -9   20   12 o  167.904   19.856   37.980   8.4686   13.240   24.860   41.227   9.0073  119.843   49.444  174.888   20.258 -55.04488 53.43283 
1 1 1   -9   20   13 o  242.973   15.060   78.034   9.4318   51.650   27.794   81.468   10.027  177.415   54.885  248.072   15.685 -70.65733 57.08181 
1 1 1   -9   20   14 o  470.081   11.767  289.395   14.329  239.400   32.299  301.645   15.988  413.979   30.332  479.405   12.875 -65.42688 32.95113 
1 1 1   -9   20   15 o  215.210   18.629   62.216   10.282  185.000   32.368   48.435   10.844  357.721   35.397  188.021   22.727 169.7003 42.06451 
1 1 1   -9   20   16 o   76.545   28.937   6.5069   7.8562   0.0000   0.0000   6.5069   7.8562  ?   ?    76.545   28.937 0.000000 28.93726 
1 1 1   -9   20   17 o  130.551   41.131   26.455   15.530   0.0000   0.0000   26.455   15.530  ?   ?   130.551   41.131 0.000000 41.13117 
1 1 1   -9   20   18 o   90.278   30.577   11.264   8.5138   5.3030   26.912   11.927   8.9747  108.562   48.133   92.596   31.394 15.96579 57.46618 
1 1 1   -9   20   19 o  222.472   17.003   66.595   9.7240   7.1640   25.435   76.769   10.523  107.469   47.258  238.883   17.120 -131.4146 50.26392 
1 1 1   -9   20   20 f  228.001   16.417   69.915   9.6306   71.140   24.038   69.680   10.511  206.089   46.173  226.753   18.045 -20.66383 49.57422 
1 1 1   -9   20   21 o  138.547   23.547   27.291   8.1482   20.330   18.548   28.956   9.0704  115.303   44.253  141.680   25.660 -26.37738 51.15436 
1 1 1   -9   20   22 o   58.702   25.570   0.0305   7.2909 -17.5700   17.798   3.5796   7.9922   70.050   33.657   68.285   28.087 1.765633 43.83700 
1 1 1   -9   20   23 o  187.785   18.315   48.527   8.7956   21.850   20.636   54.449   9.7230  115.379   45.962  198.470   19.151 -83.09119 49.79244 
1 1 1   -9   20   24 o   76.957   28.060   7.9933   7.2651 -10.9000   19.056   11.207   7.8586   76.117   36.081   86.961   29.377 -10.84373 46.52812 
1 1 1   -9   20   25 o  140.119   33.277   31.860   11.898   0.0000   0.0000   31.860   11.898  ?   ?   140.119   33.277 0.000000 33.27682 
1 1 1   -9   20   26 o  113.523   29.213   20.453   8.6403   44.640   21.803   15.947   9.4108  144.029   48.931   98.967   32.108 45.06181 58.52514 
1 1 1   -9   20   27 o   97.490   27.289   14.992   7.1635   18.966   11.253   12.285   9.2888  104.536   35.154   88.178   31.793 16.35842 47.39830 
1 1 1   -9   20   28 o   90.733   32.042   13.587   9.3880   11.753   10.901   18.850   18.470   86.723   33.750  100.888   42.201 -14.16457 54.03657 
1 1 1   -9   20   29 o  103.576   31.858   18.516   9.3802   43.450   23.833   13.946   10.204  128.966   49.982   90.641   33.223 38.32550 60.01675 
1 1 1   -9   20   30 o   97.618   28.247   15.838   7.5501   13.991   10.685   17.680   10.670   89.622   33.779   98.454   34.202 -8.832237 48.07076 
1 1 1   -9   20   31 o   80.555   27.735   10.638   7.0091   2.8110   9.1955   21.492   10.828   64.989   28.501  106.549   34.428 -41.55964 44.69430 
1 1 1   -9   20   32 o   69.399   28.181   6.6426   7.9178   7.5253   11.452   5.8342   10.959   75.059   32.370   71.828   31.317 3.231087 45.03910 
1 1 1   -9   20   33 o   53.462   24.258  -0.4437   7.2816  -9.1112   9.8194   10.146   10.854   50.492   24.442   77.555   32.388 -27.06300 40.57537 
1 1 1   -9   20   34 f   73.139   28.644   9.1785   7.8909   9.9467   12.480   8.6669   10.185   76.136   33.301   72.987   30.977 3.148804 45.48066 
1 1 1   -9   20   35 o   53.088   24.659  -1.3321   8.1553 -14.9946   11.567   12.170   11.500   49.128   24.328   77.657   32.935 -28.52954 40.94576 
1 1 1   -9   20   36 o   61.970   28.607   2.5928   10.726   4.2720   15.431   1.0230   14.920   68.194   32.367   65.111   31.159 3.083870 44.92807 
1 1 1   -9   20   37 o   79.533   29.407   13.203   8.0220   20.703   10.701   3.5806   12.121   91.916   33.968   63.501   29.684 28.41587 45.11107 
1 1 1   -9   20   38 o   74.364   34.001   14.602   14.658   20.220   23.056   10.790   18.990   75.760   36.854   70.679   34.160 5.081322 50.25050 
1 1 1   -9   20   39 o   38.266   19.102 -13.2188   7.7271 -12.6209   11.388 -13.7290   10.519   47.357   23.567   44.967   22.422 2.389969 32.52914 
1 1 1   -9   20   40 o   71.658   28.666   12.281   8.0601   14.949   10.631   8.6735   12.361   72.865   31.304   63.659   29.828 9.206535 43.23888 
1 1 1   -9   21    1 o  175.551   21.709   41.508   9.6613   50.697   14.661   34.456   12.844  190.975   30.676  156.003   32.825 34.97215 44.92789 
1 1 1   -9   21    2 o  149.118   25.419   30.562   9.4664   45.762   15.043   20.596   12.181  180.071   33.483  120.654   36.138 59.41717 49.26490 
1 1 1   -9   21    3 o  213.153   19.137   60.502   10.454   63.935   16.098   57.999   13.746  215.228   29.664  206.176   26.340 9.052551 39.67088 
1 1 1   -9   21    4 o  252.350   18.123   84.434   11.768   80.570   21.332   86.124   14.108  238.888   35.558  253.625   21.683 -14.73735 41.64795 
1 1 1   -9   21    5 o  111.018   34.163   17.244   10.785   2.8340   18.438   24.739   13.298   96.748   41.385  130.928   37.367 -34.18044 55.75866 
1 1 1   -9   21    6 o  230.348   24.065   71.840   14.147   78.420   20.521   65.880   19.530  235.603   34.661  214.700   36.418 20.90230 50.27606 
1 1 1   -9   21    7 o  199.981   24.795   54.547   12.569   34.908   16.709   80.140   19.074  153.267   41.199  239.604   31.496 -86.33717 51.85934 
1 1 1   -9   21    8 o   85.394   32.549   7.7378   9.9916   13.626   14.869   2.8908   13.491  106.400   39.898   84.745   35.792 21.65515 53.59950 
1 1 1   -9   21    9 o  101.754   35.960   13.517   11.827 -11.8900   25.071   20.788   13.413   94.818   43.758  120.247   38.261 -25.42929 58.12637 
1 1 1   -9   21   10 o  148.900   21.530   30.257   8.0628   10.830   26.468   32.244   8.4651  118.268   50.051  153.674   21.884 -35.40582 54.62596 
1 1 1   -9   21   11 o  237.114   14.825   74.376   9.0599   94.520   23.349   70.806   9.8301  255.210   36.347  230.732   16.558 24.47771 39.94031 
1 1 1   -9   21   12 o   53.976   24.185  -2.4849   6.9820   1.3360   26.040  -2.7809   7.2473  106.454   47.266   54.589   24.536 51.86537 53.25470 
1 1 1   -9   21   13 o  144.352   23.350   28.936   8.4327   14.790   24.404   30.855   8.9863  117.943   48.850  148.830   24.137 -30.88757 54.48790 
1 1 1   -9   21   14 o   59.124   25.941  -0.9452   7.6259 -36.6200   27.338   2.0650   7.9411   81.571   39.780   66.175   27.675 15.39656 48.46012 
1 1 1   -9   21   15 o  318.596   22.193  138.787   18.201   0.0000   0.0000  138.787   18.201  ?   ?   318.596   22.193 0.000000 22.19304 
1 1 1   -9   21   16 o  283.190   29.722  114.900   21.477   0.0000   0.0000  114.900   21.477  ?   ?   283.190   29.722 0.000000 29.72199 
1 1 1   -9   21   17 o  149.220   24.986   31.602   9.3161   0.0000   0.0000   31.602   9.3161  ?   ?   149.220   24.986 0.000000 24.98559 
1 1 1   -9   21   18 o  275.121   14.644  100.939   10.398   27.210   23.745  118.432   11.566  128.976   49.917  297.832   15.041 -168.8557 52.13384 
1 1 1   -9   21   19 o  159.195   22.896   35.696   9.1700  -2.4750   24.506   41.911   9.8884   95.295   43.715  172.846   22.629 -77.55105 49.22534 
1 1 1   -9   21   20 o  153.526   22.494   33.305   8.6799   34.700   24.383   33.102   9.2883  136.673   51.123  151.965   24.424 -15.29218 56.65754 
1 1 1   -9   21   21 o   54.670   24.255  -1.1116   6.8448 -18.3800   22.266   0.6906   7.1931   78.158   37.577   59.433   25.642 18.72512 45.49203 
1 1 1   -9   21   22 o   76.146   28.482   7.4811   7.5680   2.4180   22.318   8.1389   8.0447   92.951   42.288   78.662   29.376 14.28978 51.48999 
1 1 1   -9   21   23 o   78.073   29.613   8.0223   8.2447   0.0000   0.0000   8.0223   8.2447  ?   ?    78.073   29.613 0.000000 29.61310 
1 1 1   -9   21   24 o   55.268   25.647  -4.7217   8.7885   0.0000   0.0000  -4.7217   8.7885  ?   ?    55.268   25.647 0.000000 25.64669 
1 1 1   -9   21   25 o   50.363   23.178  -3.3000   6.9657 -13.9800   23.503  -2.2716   7.2933   78.527   37.965   53.201   24.192 25.32633 45.01760 
1 1 1   -9   21   26 o   56.008   25.070  -0.7628   7.4832   20.410   22.587  -3.3732   7.9311  103.880   45.128   53.464   24.652 50.41606 51.42217 
1 1 1   -9   21   27 o   95.018   38.004   15.912   14.165   10.870   22.247   19.350   18.370   92.348   42.094  100.472   42.061 -8.123878 59.50662 
1 1 1   -9   21   28 o   88.017   31.510   13.036   9.1083   19.270   18.460   11.031   10.472   98.718   41.790   83.523   32.909 15.19504 53.19164 
1 1 1   -9   21   29 o   69.661   27.387   6.6336   7.2375   5.6208   10.173   7.6715   10.298   71.941   30.757   75.804   31.593 -3.862404 44.09181 
1 1 1   -9   21   30 o   87.896   29.100   13.310   7.7155  -0.8504   10.840   27.847   10.984   62.901   28.936  122.603   33.592 -59.70187 44.33657 
1 1 1   -9   21   31 o   55.432   24.967   0.0352   7.5492  -2.8794   10.916   2.7073   10.452   59.890   28.051   65.964   29.571 -6.074368 40.75906 
1 1 1   -9   21   32 o   51.391   23.031   0.1133   6.3350   1.9938   8.2380  -2.6078   9.9098   59.632   26.526   57.066   26.728 2.566532 37.65656 
1 1 1   -9   21   33 o   57.038   25.372   1.8743   7.5376 -12.8306   12.093   11.217   9.6391   52.204   25.665   77.317   31.200 -25.11379 40.39921 
1 1 1   -9   21   34 o   79.866   29.697   12.571   8.2040  -1.3393   11.591   26.538   11.614   59.662   28.240  106.857   35.715 -47.19500 45.53087 
1 1 1   -9   21   35 o   81.852   33.297   15.741   11.078   9.8800   16.061   21.060   15.300   72.750   34.060   85.408   37.122 -12.65773 50.37985 
1 1 1   -9   21   36 o   34.240   17.294 -18.7547   7.3437 -20.2336   9.4148 -16.4567   11.736   39.609   19.952   47.136   23.532 -7.527641 30.85178 
1 1 1   -9   21   37 o   51.182   24.915  -5.8512   10.588  -6.8404   12.539  -3.3940   19.763   53.709   26.350   62.720   31.185 -9.010517 40.82699 
1 1 1   -9   21   38 f   58.374   27.220   3.4324   10.091   4.6030   22.726   3.1449   11.262   65.227   32.591   59.127   27.941 6.099930 42.92868 
1 1 1   -9   21   39 o   42.544   20.945  -7.9954   8.1493  -9.7483   12.625  -6.7435   10.670   49.708   24.750   48.601   23.935 1.106617 34.43007 
1 1 1   -9   22    1 o  129.247   35.692   24.365   12.343   28.410   19.370   21.600   16.016  138.289   46.123  123.320   41.938 14.96957 62.33860 
1 1 1   -9   22    2 o  237.515   20.529   75.764   12.506   82.994   16.743   66.640   18.809  245.732   26.736  215.644   34.862 30.08807 43.93381 
1 1 1   -9   22    3 o  279.172   17.655  103.598   12.701  105.146   16.922  101.600   19.221  278.449   23.686  271.463   27.724 6.985687 36.46417 
1 1 1   -9   22    4 o  109.114   31.840   16.992   9.5573   13.298   15.113   19.454   12.338  105.577   40.082  116.403   36.659 -10.82581 54.31769 
1 1 1   -9   22    5 o  102.700   33.154   14.704   10.044   16.701   14.961   13.065   13.551  111.871   40.347  102.743   38.174 9.128433 55.54393 
1 1 1   -9   22    6 o  144.279   28.191   29.458   10.158   23.666   15.298   34.025   13.585  126.715   40.919  152.256   35.156 -25.54111 53.94781 
1 1 1   -9   22    7 o  270.490   16.439   97.178   11.463   95.893   17.396   98.165   15.240  264.001   25.768  269.231   22.046 -5.229767 33.91206 
1 1 1   -9   22    8 f  196.320   21.353   52.386   10.683   69.592   16.583   40.179   13.968  222.189   29.546  165.954   33.646 56.23448 44.77729 
1 1 1   -9   22    9 o  189.057   23.302   49.146   11.170   37.375   16.870   58.333   14.905  155.594   41.206  203.066   29.174 -47.47159 50.48818 
1 1 1   -9   22   10 f   59.517   28.296 -12.7092   11.892 -16.8100   25.046 -11.5158   13.512   89.056   41.957   65.767   30.933 23.28950 52.12715 
1 1 1   -9   22   11 o  106.520   27.181   16.344   7.5245   8.5210   25.048   17.120   7.8889  110.521   47.767  108.838   27.863 1.682564 55.29980 
1 1 1   -9   22   12 o  212.848   17.117   60.824   9.3575   48.490   27.603   62.426   9.9465  164.946   55.061  215.248   18.005 -50.30249 57.92982 
1 1 1   -9   22   13 o  151.579   22.480   31.969   8.5588   38.440   24.084   31.034   9.1565  149.295   51.411  148.283   24.708 1.011566 57.04025 
1 1 1   -9   22   14 o  139.835   37.270   30.449   13.745   0.0000   0.0000   30.449   13.745  ?   ?   139.835   37.270 0.000000 37.27017 
1 1 1   -9   22   15 o   82.249   31.562   7.8822   9.4343   0.0000   0.0000   7.8822   9.4343  ?   ?    82.249   31.562 0.000000 31.56249 
1 1 1   -9   22   16 o   95.776   28.985   13.464   7.8064   0.0000   0.0000   13.464   7.8064  ?   ?    95.776   28.985 0.000000 28.98536 
1 1 1   -9   22   17 o   88.673   29.943   11.219   8.1639 -15.5900   25.625   14.248   8.6127   87.221   41.488   97.864   30.598 -10.64349 51.55091 
1 1 1   -9   22   18 o  156.469   21.121   34.278   8.3416   31.920   25.558   34.559   8.8248  131.988   51.590  156.400   22.425 -24.41234 56.25310 
1 1 1   -9   22   19 o   67.655   27.563   3.9167   7.6049 -12.9600   21.955   6.2176   8.1068   81.133   38.537   74.330   29.055 6.802887 48.26266 
1 1 1   -9   22   20 o   96.517   28.967   14.205   7.8204   12.300   19.696   14.562   8.5209  100.554   42.887   97.340   30.434 3.213547 52.58875 
1 1 1   -9   22   21 o   60.876   25.987   1.6166   7.2426  -4.6070   20.260   2.5285   7.7551   82.693   38.562   64.323   27.150 18.36952 47.16099 
1 1 1   -9   22   22 o   68.193   27.917   4.4165   7.8491   0.0000   0.0000   4.4165   7.8491  ?   ?    68.193   27.917 0.000000 27.91660 
1 1 1   -9   22   23 o   46.957   22.406  -7.7784   7.5974 -27.1000   21.366  -4.9817   8.1287   68.320   33.689   52.368   24.423 15.95241 41.61068 
1 1 1   -9   22   24 o  130.171   25.199   25.866   8.1897 -22.2700   21.610   33.938   8.8498   70.295   34.508  151.029   23.377 -80.73327 41.68074 
1 1 1   -9   22   25 o  130.122   24.152   25.771   7.8408   11.500   20.140   28.320   8.5124   92.004   41.160  135.727   25.138 -43.72306 48.22922 
1 1 1   -9   22   26 o   85.790   32.374   12.090   9.8220  -1.0930   17.414   18.240   11.895   75.902   35.513   99.383   35.955 -23.48138 50.53609 
1 1 1   -9   22   27 o   73.441   33.050   3.3263   13.195  -1.2380   19.562   7.1370   17.874   77.517   36.690   83.139   37.832 -5.621414 52.70108 
1 1 1   -9   22   28 o   93.796   29.553   15.235   8.0171   22.360   21.804   14.121   8.6210   98.375   43.485   89.719   30.767 8.655235 53.26859 
1 1 1   -9   22   29 o   62.005   27.804   1.3427   9.2472   13.420   21.657  -1.3500   10.226   87.677   40.535   60.503   27.931 27.17341 49.22647 
1 1 1   -9   22   30 o   64.594   28.446   3.5052   9.2457 -33.3800   20.501   12.923   10.359   58.800   29.597   83.320   32.762 -24.51952 44.15127 
1 1 1   -9   22   31 o   60.508   25.020   4.4850   6.3861   1.9836   8.1735   8.4050   10.232   59.114   26.349   72.978   31.013 -13.86428 40.69550 
1 1 1   -9   22   32 o   61.575   26.370   4.5199   7.5013   3.9624   12.011   4.8764   9.6047   66.733   30.610   65.132   28.822 1.601242 42.04399 
1 1 1   -9   22   33 o   69.083   28.095   8.3562   7.8839   3.9641   11.431   12.341   10.888   64.725   29.753   76.769   32.273 -12.04372 43.89525 
1 1 1   -9   22   34 o   57.774   26.680   1.5038   9.3431   4.5080   15.192  -0.3238   11.849   66.940   31.870   59.450   28.259 7.490097 42.59438 
1 1 1   -9   22   35 o   63.062   27.754   6.2014   8.7880  -3.1918   12.152   16.500   12.724   56.354   27.258   78.515   33.989 -22.16092 43.56916 
1 1 1   -9   22   36 o   48.518   23.229  -3.3523   8.3129  -7.7974   11.336   1.8191   12.227   50.716   24.916   59.640   28.449 -8.923820 37.81739 
1 1 1   -9   22   37 o   56.125   26.592   1.5576   10.326 -12.1500   23.364   4.8848   11.511   59.231   30.021   60.603   28.519 -1.372562 41.40761 
1 1 1   -9   22   38 o   61.213   27.033   7.5676   8.4072   18.945   12.499  -1.8342   11.362   74.944   33.036   52.899   25.764 22.04540 41.89438 
1 1 1   -9   22   39 o   63.873   27.910   10.411   8.7477   2.4468   13.572   16.072   11.442   55.926   27.433   69.350   31.024 -13.42336 41.41316 
1 1 1   -9   23    1 o  244.627   16.890   79.842   10.637   82.897   16.137   77.495   14.145  244.620   25.859  237.923   23.249 6.697449 34.77369 
1 1 1   -9   23    2 o  167.169   23.605   38.642   9.9369   30.814   14.572   45.446   13.586  142.321   38.566  178.023   30.563 -35.70171 49.20782 
1 1 1   -9   23    3 o   89.739   31.917   10.447   9.3305   16.066   14.028   5.9890   12.495  108.312   39.067   86.217   35.251 22.09537 52.62015 
1 1 1   -9   23    4 f  229.556   17.989   70.706   10.611   78.136   16.041   64.926   14.148  236.699   26.625  216.027   25.794 20.67145 37.07071 
1 1 1   -9   23    5 f  190.635   21.652   49.719   10.502   27.753   15.874   66.818   14.005  133.929   41.485  219.445   25.089 -85.51532 48.48188 
1 1 1   -9   23    6 o  101.587   33.441   14.704   10.195   13.879   15.553   15.325   13.499  105.157   40.483  105.734   38.295 -0.5775223 55.72569 
1 1 1   -9   23    7 o  157.629   26.972   35.308   10.617   38.360   16.013   32.914   14.182  157.319   39.385  146.714   37.251 10.60536 54.21101 
1 1 1   -9   23    8 o  115.231   33.159   19.787   10.430   23.408   15.439   16.746   14.147  123.414   41.178  108.720   39.231 14.69474 56.87438 
1 1 1   -9   23    9 f   72.311   30.564   2.3880   9.8508   11.425   15.692  -3.4893   12.655  100.131   40.018   71.489   32.250 28.64180 51.39564 
1 1 1   -9   23   10 o   78.053   33.415   2.4465   12.037 -14.6500   24.074   8.1450   13.899   87.054   41.050   91.425   37.256 -4.371376 55.43589 
1 1 1   -9   23   11 o  172.132   18.922   40.424   8.2975   72.210   26.059   36.838   8.7531  204.912   49.622  163.192   21.208 41.72046 53.96457 
1 1 1   -9   23   12 o   53.250   25.733 -14.7123   10.768  -4.5270   24.108 -17.2510   12.036   94.003   43.210   55.359   26.860 38.64359 50.87784 
1 1 1   -9   23   13 o  165.681   48.748   48.620   22.320   0.0000   0.0000   48.620   22.320  ?   ?   165.681   48.748 0.000000 48.74807 
1 1 1   -9   23   14 o   72.931   28.943   5.2997   8.1542   0.0000   0.0000   5.2997   8.1542  ?   ?    72.931   28.943 0.000000 28.94296 
1 1 1   -9   23   15 o   61.817   26.890   0.2637   8.0411   0.0000   0.0000   0.2637   8.0411  ?   ?    61.817   26.890 0.000000 26.89041 
1 1 1   -9   23   16 o   82.872   28.689   9.6441   7.5043 -48.8100   23.699   16.158   7.9114   66.345   33.169  103.519   28.570 -37.17445 43.77695 
1 1 1   -9   23   17 o   71.869   27.920   5.8530   7.4503 -11.1200   21.809   8.0955   7.9273   81.856   38.743   78.664   29.204 3.191788 48.51653 
1 1 1   -9   23   18 f   82.354   28.614   9.7293   7.4689 -19.3900   25.003   12.582   7.8262   81.079   39.189   91.236   29.247 -10.15732 48.89926 
1 1 1   -9   23   19 o   44.480   20.723  -4.2935   5.8288  -2.0990   25.257  -4.4169   5.9905   91.416   42.771   45.031   20.989 46.38511 47.64347 
1 1 1   -9   23   20 o   69.439   28.086   4.9966   7.8309   0.1833   25.939   5.4793   8.2142   92.311   43.239   71.373   28.801 20.93784 51.95287 
1 1 1   -9   23   21 o   87.179   31.746   11.705   9.2950   0.0000   0.0000   11.705   9.2950  ?   ?    87.179   31.746 0.000000 31.74630 
1 1 1   -9   23   22 f   74.033   28.598   7.3562   7.7820   27.220   21.002   4.1949   8.3784  113.179   45.919   67.905   28.415 45.27392 53.99985 
1 1 1   -9   23   23 o  143.712   22.297   30.663   8.0313   2.3300   20.813   35.620   8.7055   84.143   39.187  155.020   22.324 -70.87801 45.09948 
1 1 1   -9   23   24 o  153.880   19.708   34.384   7.6749   8.9080   20.580   38.500   8.2717   88.291   40.338  162.611   20.063 -74.32018 45.05175 
1 1 1   -9   23   25 o   60.285   26.241   1.9053   7.6678   23.740   20.832  -1.5165   8.2467  102.435   43.908   56.210   25.624 46.22467 50.83829 
1 1 1   -9   23   26 o   56.541   27.479 -12.4466   12.739  -3.0520   21.007 -17.9100   16.020   76.789   36.807   59.970   29.494 16.81855 47.16658 
1 1 1   -9   23   27 o  108.815   29.226   20.545   8.4124 -11.1700   22.387   25.760   9.0776   72.332   35.429  122.735   29.011 -50.40362 45.79140 
1 1 1   -9   23   28 o   93.852   29.846   15.924   8.1624   22.820   22.169   14.842   8.7791   94.399   42.626   89.667   31.030 4.731102 52.72450 
1 1 1   -9   23   29 o   92.855   28.655   15.582   7.5816  -7.6510   19.683   19.630   8.2155   68.537   33.495  104.031   29.261 -35.49413 44.47617 
1 1 1   -9   23   30 o   79.950   29.376   11.939   7.9841   12.870   20.555   11.773   8.6645   80.719   38.023   79.027   30.266 1.692162 48.59818 
1 1 1   -9   23   31 o   99.710   28.523   18.767   7.7386   27.230   23.402   17.728   8.1999   87.843   41.122   94.771   29.890 -6.928093 50.83718 
1 1 1   -9   23   32 o   55.857   26.119  -0.4447   9.3961 -11.9200   22.377   2.0117   10.353   64.036   32.047   60.390   27.957 3.645962 42.52812 
1 1 1   -9   23   33 o   48.064   23.785 -12.2052   10.986   0.0000   0.0000 -12.2052   10.986  ?   ?    48.064   23.785 0.000000 23.78508 
1 1 1   -9   23   34 o   48.457   23.519  -5.8506   9.2494  -7.7239   11.899  -2.9910   14.702   52.066   25.569   58.922   28.829 -6.855701 38.53386 
1 1 1   -9   23   35 o   81.858   30.901   16.397   8.9503   19.137   12.742   13.728   12.575   79.175   34.144   71.811   32.295 7.364281 46.99784 
1 1 1   -9   23   36 o   44.928   22.880 -29.8302   14.759 -43.5600   22.174 -18.9100   19.776   50.187   25.748   54.149   27.464 -3.961548 37.64609 
1 1 1   -9   23   37 o  114.053   30.651   30.327   9.2494   41.306   14.540   22.865   11.988  103.075   39.271   81.075   33.962 21.99981 51.91970 
1 1 1   -9   23   38 o   63.085   27.702   10.289   8.7132   13.638   12.650   7.2651   12.019   64.408   30.177   58.507   27.990 5.901756 41.15981 
1 1 1   -9   24    1 o  130.823   30.545   25.300   10.163  -1.0009   15.161   46.764   13.696   80.943   35.996  179.063   30.629 -98.12045 47.26323 
1 1 1   -9   24    2 o  292.697   15.315  114.179   11.571  101.890   17.118  124.518   15.701  270.421   24.711  302.634   20.144 -32.21268 31.88182 
1 1 1   -9   24    3 o  264.985   16.593   94.130   11.332   88.874   17.072   98.269   15.150  250.892   26.679  267.356   22.074 -16.46402 34.62704 
1 1 1   -9   24    4 o  132.333   29.851   25.821   9.9888   9.6434   15.296   37.849   13.189   96.139   39.120  158.964   33.107 -62.82487 51.24846 
1 1 1   -9   24    5 o  167.107   25.126   39.509   10.539   25.969   15.219   51.988   14.610  127.869   40.763  188.259   31.042 -60.38957 51.23690 
1 1 1   -9   24    6 o  164.456   26.488   38.689   10.901   29.040   16.167   46.732   14.760  133.909   41.930  176.407   33.527 -42.49838 53.68642 
1 1 1   -9   24    7 o  295.453   15.898  116.900   12.122  115.341   18.348  118.107   16.148  286.732   24.952  293.114   21.417 -6.382202 32.88305 
1 1 1   -9   24    8 o   80.375   34.606   2.7878   13.046   0.0000   0.0000   2.7878   13.046  ?   ?    80.375   34.606 0.000000 34.60582 
1 1 1   -9   24    9 o  189.829   22.912   50.442   11.038   70.768   17.308   36.506   14.332  218.602   31.473  152.402   36.735 66.19972 48.37339 
1 1 1   -9   24   10 o  112.701   32.186   19.390   9.8625   1.0287   15.919   30.827   12.564   83.732   37.077  140.739   34.687 -57.00727 50.77283 
1 1 1   -9   24   11 o   77.169   35.169  -3.6677   15.522   2.6630   25.159  -7.5580   19.723   99.953   45.247   82.304   38.270 17.64804 59.26053 
1 1 1   -9   24   12 o   61.577   27.024  -0.2813   8.2805  -5.3580   24.572   0.3690   8.7949   91.909   42.729   64.386   28.064 27.52296 51.12080 
1 1 1   -9   24   13 o  144.660   25.035   30.337   9.0415   0.0000   0.0000   30.337   9.0415  ?   ?   144.660   25.035 0.000000 25.03533 
1 1 1   -9   24   14 o   73.152   28.854   5.8264   8.0582   0.0000   0.0000   5.8264   8.0582  ?   ?    73.152   28.854 0.000000 28.85365 
1 1 1   -9   24   15 o  109.991   28.055   18.428   8.0183 -28.5500   25.269   23.688   8.4553   76.905   37.663  125.822   26.766 -48.91720 46.20484 
1 1 1   -9   24   16 o  194.790   18.129   52.491   9.0423   20.680   24.640   57.442   9.7205  112.257   47.926  203.457   18.652 -91.19997 51.42769 
1 1 1   -9   24   17 o   70.525   27.486   5.8578   7.2381   21.430   20.183   3.5593   7.7539  110.468   44.941   66.274   27.500 44.19389 52.68758 
1 1 1   -9   24   18 o  107.444   27.566   17.973   7.7098   32.010   21.796   15.966   8.2428  123.604   47.828  100.171   29.666 23.43262 56.28107 
1 1 1   -9   24   19 o  117.382   27.462   21.561   8.2015   0.0000   0.0000   21.561   8.2015  ?   ?   117.382   27.462 0.000000 27.46195 
1 1 1   -9   24   20 o  108.722   30.603   19.584   8.9832  -1.2980   25.389   22.572   9.6045   87.224   41.433  116.401   31.213 -29.17757 51.87469 
1 1 1   -9   24   21 o   51.545   23.900  -3.7340   7.6106   7.4670   24.036  -4.9821   8.0234   90.757   42.216   51.320   24.041 39.43760 48.58147 
1 1 1   -9   24   22 o   55.610   25.272  -1.4995   7.9439 -32.8600   22.273   3.0711   8.5031   64.840   32.378   64.875   27.935 -0.3491974E-01 42.76322 
1 1 1   -9   24   23 o   64.958   27.506   3.9305   8.0010 -11.5000   21.507   6.4090   8.6196   73.036   35.545   71.216   29.216 1.820427 46.01080 
1 1 1   -9   24   24 o   61.755   28.498  -1.6413   10.631   2.5790   21.468  -3.0126   12.237   80.965   38.355   63.691   29.790 17.27368 48.56509 
1 1 1   -9   24   25 f   59.631   28.275  -5.3878   11.720  -2.3560   21.342  -6.6970   14.025   76.303   36.711   63.180   30.229 13.12292 47.55478 
1 1 1   -9   24   26 o   69.520   26.768   7.3263   6.8011  -4.4950   21.787   8.6026   7.1589   74.139   36.010   73.253   27.640 0.8865585 45.39497 
1 1 1   -9   24   27 o   83.066   28.613   12.314   7.4603  -8.0550   20.099   15.569   8.0343   69.072   33.776   92.056   29.646 -22.98471 44.94137 
1 1 1   -9   24   28 o   77.875   28.855   10.963   7.7317   23.690   17.544   7.8955   8.6132   93.341   40.160   70.593   29.111 22.74773 49.60137 
1 1 1   -9   24   29 o   62.417   26.143   5.2672   7.1020   2.9640   20.978   5.5654   7.5477   72.676   35.308   63.637   26.818 9.039879 44.33788 
1 1 1   -9   24   30 o   87.600   29.070   15.253   7.6979   15.850   23.175   15.179   8.1612   78.336   37.831   86.201   29.914 -7.864487 48.22847 
1 1 1   -9   24   31 o   52.682   24.388  -0.1062   7.8776  -0.6556   22.691  -0.0310   8.4001   67.630   33.591   53.877   25.026 13.75308 41.88916 
1 1 1   -9   24   32 o   61.980   27.913   5.3888   9.4330   0.0000   0.0000   5.3888   9.4330  ?   ?    61.980   27.913 0.000000 27.91291 
1 1 1   -9   24   33 o   41.171   20.392 -10.9415   8.1431 -22.9000   23.123  -9.2483   8.7005   57.325   29.138   43.932   21.631 13.39255 36.28957 
1 1 1   -9   24   34 o   58.751   27.619   3.7101   10.748   18.610   22.660  -0.6145   12.208   70.301   34.672   56.163   27.203 14.13857 44.06968 
1 1 1   -9   24   35 o   72.455   33.658   19.462   15.199   38.580   21.973   1.9250   21.045   79.051   37.826   61.088   30.644 17.96307 48.68174 
1 1 1   -9   24   36 o   75.420   29.795   15.591   8.6050   0.6222   11.888   32.064   12.471   54.155   26.371   94.529   36.285 -40.37347 44.85615 
1 1 1   -9   24   37 o   56.922   25.624   6.8048   7.9393   28.176   11.895 -10.3638   10.662   85.141   34.553   44.156   22.102 40.98505 41.01675 
1 1 1   -9   25    1 o   86.359   32.105   9.7151   9.5872   7.0973   14.399   11.800   12.850   89.269   37.294   95.236   36.759 -5.966843 52.36478 
1 1 1   -9   25    2 o  168.632   23.194   40.080   9.8632   45.216   14.689   35.864   13.310  171.706   34.228  152.205   34.550 19.50069 48.63359 
1 1 1   -9   25    3 o  213.224   18.570   62.067   10.154   77.955   15.783   50.848   13.263  233.189   26.606  186.717   28.310 46.47270 38.85061 
1 1 1   -9   25    4 o  228.221   18.939   71.233   11.095   57.674   16.487   82.457   15.000  194.365   33.984  241.670   24.290 -47.30505 41.77225 
1 1 1   -9   25    5 o   68.230   29.688   0.7232   9.8065   0.2137   15.144   1.0912   12.869   80.791   35.950   76.828   33.704 3.963394 49.27821 
1 1 1   -9   25    6 o  226.028   18.481   69.821   10.726   79.562   16.760   63.065   13.958  233.616   28.272  209.286   26.331 24.33008 38.63438 
1 1 1   -9   25    7 o  186.764   22.577   49.112   10.700   33.735   16.839   59.528   13.858  140.398   42.588  202.451   27.107 -62.05263 50.48322 
1 1 1   -9   25    8 o   63.785   29.041  -3.5687   10.551   0.2645   21.752  -4.7478   12.065   91.998   41.814   66.755   30.642 25.24314 51.83895 
1 1 1   -9   25    9 o  127.563   39.682   27.301   14.506   12.180   25.877   34.230   17.518  107.677   47.496  139.453   43.644 -31.77582 64.50313 
1 1 1   -9   25   10 f  120.583   37.142   23.897   12.744   0.0399   16.323   61.150   20.397   81.754   36.777  188.792   42.708 -107.0376 56.36061 
1 1 1   -9   25   11 o  114.900   30.912   20.587   9.4015   35.063   14.543   10.194   12.322  144.723   38.226   89.353   35.542 55.37017 52.19596 
1 1 1   -9   25   12 o   90.014   27.695   12.197   7.0882   0.0000   0.0000   12.197   7.0882  ?   ?    90.014   27.695 0.000000 27.69510 
1 1 1   -9   25   13 o  102.900   29.797   16.541   8.3988   0.0000   0.0000   16.541   8.3988  ?   ?   102.900   29.797 0.000000 29.79706 
1 1 1   -9   25   14 o   90.029   28.511   12.433   7.4546   0.3583   21.833   14.026   7.9312   88.432   40.820   94.913   29.311 -6.481133 50.25318 
1 1 1   -9   25   15 o   37.099   18.429 -15.0168   6.8376 -24.3300   22.417 -14.0614   7.1798   72.186   35.377   39.288   19.403 32.89774 40.34874 
1 1 1   -9   25   16 o   56.549   25.020  -0.2244   7.2344 -23.6500   23.130   2.3156   7.6165   72.970   35.797   62.627   26.689 10.34351 44.65134 
1 1 1   -9   25   17 o  187.208   18.578   49.520   8.8900   0.0000   0.0000   49.520   8.8900  ?   ?   187.208   18.578 0.000000 18.57813 
1 1 1   -9   25   18 o  165.162   25.801   41.860   10.677   0.0000   0.0000   41.860   10.677  ?   ?   165.162   25.801 0.000000 25.80085 
1 1 1   -9   25   19 o  112.235   27.981   20.459   8.1063   25.770   20.567   19.482   8.8203  107.812   44.766  107.456   30.352 0.3558731 54.08551 
1 1 1   -9   25   20 o   72.388   27.770   7.5065   7.3020   32.610   22.683   4.6043   7.7125  113.004   46.975   66.046   27.418 46.95822 54.39062 
1 1 1   -9   25   21 o   53.855   24.653  -1.9131   7.7371   22.780   21.444  -5.6088   8.2959  100.021   43.702   50.746   23.981 49.27501 49.84891 
1 1 1   -9   25   22 o   86.087   30.108   12.832   8.2754   23.170   21.293   10.993   8.9814   98.718   43.329   81.087   30.872 17.63129 53.20211 
1 1 1   -9   25   23 o   95.212   34.501   17.700   10.958 -14.6400   21.729   28.731   12.691   69.527   34.224  118.294   37.167 -48.76702 50.52419 
1 1 1   -9   25   24 o   74.197   29.823   8.6707   8.7694   27.580   21.691   4.9763   9.5878   99.420   43.682   67.915   29.453 31.50431 52.68417 
1 1 1   -9   25   25 o   49.769   23.052  -2.3209   7.0518   18.870   20.431  -5.1867   7.5135   88.970   40.471   47.487   22.552 41.48272 46.33008 
1 1 1   -9   25   26 o   93.968   28.081   15.999   7.3612   8.1040   18.246   17.534   8.0449   77.068   36.152   96.958   29.443 -19.89011 46.62448 
1 1 1   -9   25   27 o  128.119   24.094   27.240   7.7026   22.150   17.295   28.499   8.6029   89.250   39.115  127.673   26.864 -38.42213 47.45174 
1 1 1   -9   25   28 o   58.473   25.440   3.6354   7.1998 -41.5400   21.698   9.2247   7.6322   54.677   27.834   71.194   28.081 -16.51695 39.53823 
1 1 1   -9   25   29 o  104.102   27.440   20.491   7.5041   7.8110   22.898   22.017   7.9427   72.045   35.398  106.971   28.247 -34.92528 45.28741 
1 1 1   -9   25   30 o   36.496   18.246 -13.9268   7.1692 -14.8800   21.867 -13.8120   7.5887   60.375   30.412   37.929   18.933 22.44609 35.82393 
1 1 1   -9   25   31 o   51.145   24.628  -3.4158   9.6540   0.0000   0.0000  -3.4158   9.6540  ?   ?    51.145   24.628 0.000000 24.62777 
1 1 1   -9   25   32 o   49.786   23.683  -1.6119   8.3531   9.8840   22.841  -3.3868   8.9748   66.809   33.269   49.163   23.692 17.64598 40.84233 
1 1 1   -9   25   33 f   64.286   28.275   9.0417   9.1084   16.320   23.707   7.7813   9.8657   67.401   33.616   62.331   28.264 5.070068 43.91939 
1 1 1   -9   25   34 o   42.968   21.526 -13.4640   10.217   11.220   17.898 -25.3982   12.445   63.602   31.259   41.812   21.265 21.78968 37.80664 
1 1 1   -9   25   35 o   45.882   22.836  -8.4491   10.705   19.580   23.768 -15.5812   11.989   63.596   31.993   44.186   22.290 19.41009 38.99244 
1 1 1   -9   25   36 o   38.957   19.427  -9.5423   7.9064 -10.0700   20.869  -9.4538   8.5432   52.236   26.655   40.409   20.158 11.82654 33.41927 
1 1 1   -9   26    1 o  218.946   19.333   66.289   10.852   76.270   15.817   57.412   14.917  228.132   27.309  194.898   30.552 33.23389 40.97790 
1 1 1   -9   26    2 o  139.381   27.643   28.996   9.6276   35.457   15.427   24.875   12.321  144.598   39.891  123.442   36.190 21.15516 53.86089 
1 1 1   -9   26    3 o   79.075   31.294   7.1737   9.5081 -12.0746   14.706   21.001   12.464   66.079   31.431  113.440   36.958 -47.36172 48.51604 
1 1 1   -9   26    4 o   50.018   24.084 -11.4707   9.2307 -12.2562   13.923 -10.8547   12.330   63.818   30.419   60.638   28.825 3.179493 41.90661 
1 1 1   -9   26    5 o   54.546   26.101 -11.1218   10.463 -19.7200   22.374  -8.7150   11.837   76.794   37.106   61.192   28.834 15.60287 46.99231 
1 1 1   -9   26    6 o   83.790   36.347   4.7464   14.610   0.0894   22.277   8.2610   19.353   90.694   41.633   95.096   41.534 -4.401863 58.80771 
1 1 1   -9   26    7 o   91.029   38.380   9.1077   15.471   40.770   24.986 -10.5800   19.703  139.450   51.832   77.533   36.734 61.91732 63.52889 
1 1 1   -9   26    8 o  117.791   31.460   22.016   9.7803   14.159   16.188   26.534   12.274   99.079   40.272  126.228   35.856 -27.14899 53.92117 
1 1 1   -9   26    9 o   61.125   27.815  -2.7513   9.6621  -6.7977   15.406  -0.1278   12.405   71.433   33.416   71.974   32.244 -0.5412445 46.43575 
1 1 1   -9   26   10 o  162.090   31.568   41.491   12.777   0.0000   0.0000   41.491   12.777  ?   ?   162.090   31.568 0.000000 31.56791 
1 1 1   -9   26   11 o   75.532   31.860   5.0931   10.668   24.850   20.103  -2.6515   12.587  114.311   45.419   68.646   31.431 45.66559 55.23442 
1 1 1   -9   26   12 o  140.270   34.064   32.840   12.253   0.0000   0.0000   32.840   12.253  ?   ?   140.270   34.064 0.000000 34.06358 
1 1 1   -9   26   13 o   55.966   25.001  -0.8258   7.4024 -43.1200   25.950   2.9204   7.7233   68.944   34.505   64.047   27.067 4.897720 43.85406 
1 1 1   -9   26   14 o   60.434   25.586   2.4051   6.9215 -16.6300   21.437   4.6205   7.3131   73.103   35.556   66.464   27.048 6.639076 44.67441 
1 1 1   -9   26   15 o   90.833   30.057   13.507   8.2316   0.0000   0.0000   13.507   8.2316  ?   ?    90.833   30.057 0.000000 30.05654 
1 1 1   -9   26   16 o  240.245   18.902   82.427   11.668   0.0000   0.0000   82.427   11.668  ?   ?   240.245   18.902 0.000000 18.90222 
1 1 1   -9   26   17 o  104.706   28.184   18.105   7.8129   20.700   23.184   17.773   8.2983   99.760   44.429  102.567   29.594 -2.807564 53.38308 
1 1 1   -9   26   18 f  137.403   23.540   29.025   8.0769   41.080   22.896   27.311   8.6318  122.158   48.492  130.560   26.430 -8.402748 55.22745 
1 1 1   -9   26   19 o   83.646   28.848   11.784   7.5846   0.9819   19.363   13.741   8.2433   77.674   36.685   88.923   30.088 -11.24862 47.44514 
1 1 1   -9   26   20 o   57.921   25.422   1.5716   7.3302   14.510   19.575  -0.5387   7.9054   88.663   40.044   55.898   25.328 32.76554 47.38128 
1 1 1   -9   26   21 o   52.110   24.169  -2.6742   7.7896  -2.3080   17.979  -2.7588   8.6429   71.868   34.342   54.493   25.336 17.37558 42.67669 
1 1 1   -9   26   22 o   73.054   30.968   7.7191   10.160 -29.5700   18.449   23.948   12.171   57.050   28.629  105.845   36.542 -48.79453 46.42147 
1 1 1   -9   26   23 o   58.783   26.442   1.2295   8.4364 -16.0600   18.045   6.0653   9.5435   61.848   30.584   68.715   29.592 -6.866589 42.55683 
1 1 1   -9   26   24 o   84.033   29.141   13.165   7.7443   10.880   17.565   13.717   8.6282   78.962   36.506   84.373   30.607 -5.411560 47.63909 
1 1 1   -9   26   25 o   91.250   29.245   15.971   7.8253   6.9070   16.254   18.706   8.9281   73.131   34.246   96.312   31.275 -23.18024 46.37814 
1 1 1   -9   26   26 o   53.953   24.666   0.3706   7.7111  -7.2870   18.978   1.8847   8.4391   64.185   31.669   57.751   26.168 6.434555 41.08177 
1 1 1   -9   26   27 o   57.492   25.048   3.7096   7.0001   18.440   21.634   1.9870   7.3981   78.270   37.474   55.090   24.773 23.17931 44.92199 
1 1 1   -9   26   28 o   57.881   25.442   4.0808   7.3649 -12.7200   22.311   6.1354   7.8022   61.542   30.964   62.234   26.779 -0.6922302 40.93765 
1 1 1   -9   26   29 o   49.984   23.340  -0.5129   7.4605 -45.2000   23.945   4.2915   7.8513   53.072   27.195   57.949   25.828 -4.877632 37.50560 
1 1 1   -9   26   30 o   64.531   28.371   8.4323   9.1622   0.0000   0.0000   8.4323   9.1622  ?   ?    64.531   28.371 0.000000 28.37069 
1 1 1   -9   26   31 o   47.108   22.406  -1.8137   7.4702  -2.7160   21.744  -1.6930   7.9543   60.252   30.347   48.268   23.003 11.98357 38.07988 
1 1 1   -9   26   32 o   51.165   24.201   0.6631   8.4831   5.5260   23.445  -0.0694   9.0996   61.834   31.190   51.244   24.471 10.59037 39.64436 
1 1 1   -9   26   33 o   60.012   27.977   8.0269   10.650   15.280   20.868   5.4725   12.384   63.435   31.622   57.845   27.864 5.589600 42.14709 
1 1 1   -9   26   34 o   68.855   30.565   16.608   10.883   6.2980   22.352   19.812   12.460   57.922   29.358   70.228   31.812 -12.30608 43.28861 
1 1 1   -9   26   35 o   39.925   20.012 -10.5736   8.8890 -21.8600   23.532  -8.6951   9.6003   49.851   25.621   42.314   21.149 7.537075 33.22202 
1 1 1   -9   27    1 o  187.091   27.002   52.532   12.707   54.610   25.141   51.819   14.726  157.365   52.548  180.293   32.739 -22.92818 61.91210 
1 1 1   -9   27    2 o  150.235   37.873   38.841   14.734   46.850   21.967   32.290   19.866  150.239   49.070  127.311   46.403 22.92889 67.53639 
1 1 1   -9   27    3 f  172.655   36.971   50.223   16.036   47.280   24.130   52.550   21.461  146.478   51.402  161.910   47.846 -15.43140 70.22405 
1 1 1   -9   27    4 o   74.217   32.506   2.6681   11.928  -3.3938   15.382   11.810   18.890   74.014   34.199   96.201   41.530 -22.18683 53.79863 
1 1 1   -9   27    5 o  159.701   25.701   38.162   10.271   56.395   15.655   24.383   13.610  186.464   33.651  117.045   38.643 69.41904 51.24141 
1 1 1   -9   27    6 o  112.986   32.934   21.185   10.230   49.569   16.340   2.8850   13.120  168.955   38.228   76.500   33.778 92.45502 51.01287 
1 1 1   -9   27    7 o  116.247   30.790   21.918   9.4185   31.516   14.658   15.168   12.292  131.042   39.732   96.345   36.247 34.69723 53.78139 
1 1 1   -9   27    8 o   68.726   29.468   3.1851   9.3875   6.1944   15.417   1.4121   11.834   83.870   36.839   71.377   31.769 12.49245 48.64548 
1 1 1   -9   27    9 o   93.163   31.764   14.155   9.1881 -14.2472   14.956   31.371   11.644   62.631   30.281  136.685   33.215 -74.05393 44.94633 
1 1 1   -9   27   10 o   88.955   33.579   12.638   10.569   29.740   18.961   4.9301   12.729  118.293   44.899   77.286   33.722 41.00699 56.15220 
1 1 1   -9   27   11 o   72.088   30.339   5.2467   9.6388  -9.1260   18.926   10.280   11.200   73.163   35.034   83.834   33.701 -10.67027 48.61215 
1 1 1   -9   27   12 o   62.813   27.894   0.8340   9.0731   1.7510   12.868  -0.0725   12.795   72.240   32.561   69.877   31.879 2.362434 45.56838 
1 1 1   -9   27   13 f  128.127   28.493   26.746   9.2119   0.0000   0.0000   26.746   9.2119  ?   ?   128.127   28.493 0.000000 28.49301 
1 1 1   -9   27   14 o   56.179   25.280  -0.5624   7.7193 -27.8400   20.741   3.8232   8.3167   64.071   31.872   65.593   27.920 -1.521301 42.37140 
1 1 1   -9   27   15 o   62.937   26.574   3.6429   7.4345   21.440   18.086   0.0240   8.1554   99.442   41.689   58.090   26.075 41.35156 49.17216 
1 1 1   -9   27   16 o   87.806   29.102   13.226   7.7161 -29.7800   23.011   18.674   8.1903   65.456   32.719  104.096   29.193 -38.64063 43.84926 
1 1 1   -9   27   17 o   66.728   27.889   5.2463   8.0572 -12.0800   23.162   7.6316   8.5939   72.601   35.657   72.566   29.397 0.3569031E-01 46.21306 
1 1 1   -9   27   18 o   81.386   29.567   11.507   8.0557   21.970   22.853   10.022   8.6082   94.123   42.810   77.529   30.041 16.59439 52.29862 
1 1 1   -9   27   19 o   68.638   27.449   6.8854   7.3879  -6.8810   21.083   8.8125   7.8881   71.493   34.881   73.775   28.710 -2.282120 45.17617 
1 1 1   -9   27   20 o   42.561   20.581  -7.6768   6.9173   5.0640   18.267  -9.8097   7.4739   76.058   35.833   42.446   20.722 33.61191 41.39308 
1 1 1   -9   27   21 o   61.149   27.474   2.1408   9.0758  -1.4080   16.784   3.6074   10.789   68.664   32.909   66.080   29.797 2.583923 44.39479 
1 1 1   -9   27   22 o   58.159   26.164   1.6199   8.2620  -6.5430   16.904   4.1821   9.4702   64.340   31.356   64.315   28.532 0.2476501E-01 42.39441 
1 1 1   -9   27   23 f  103.835   27.785   19.762   7.6201   6.5370   16.165   23.541   8.6403   72.242   33.932  111.585   29.460 -39.34287 44.93626 
1 1 1   -9   27   24 o   74.021   28.277   10.390   7.5514   23.300   19.109   8.0007   8.2205   85.664   39.033   68.294   28.325 17.36960 48.22744 
1 1 1   -9   27   25 o   45.806   21.771  -3.7440   7.0280   6.3380   19.992  -5.1656   7.5072   70.363   34.249   45.575   21.887 24.78784 40.64582 
1 1 1   -9   27   26 o   50.147   23.190  -0.2303   7.0954 -28.6100   21.254   3.3292   7.5272   55.497   28.181   56.684   25.275 -1.186913 37.85490 
1 1 1   -9   27   27 o   58.679   25.571   5.0715   7.2986   14.690   22.140   3.8988   7.7308   70.894   34.828   57.055   25.514 13.83924 43.17357 
1 1 1   -9   27   28 o   98.507   30.105   21.915   8.3915   0.0000   0.0000   21.915   8.3915  ?   ?    98.507   30.105 0.000000 30.10502 
1 1 1   -9   27   29 o   64.111   28.281   9.0098   9.1761   0.0000   0.0000   9.0098   9.1761  ?   ?    64.111   28.281 0.000000 28.28094 
1 1 1   -9   27   30 o   78.353   28.252   14.681   7.3349 -13.8700   20.744   18.761   7.8415   54.799   27.828   88.244   29.342 -33.44467 40.43979 
1 1 1   -9   27   31 o   73.301   28.661   14.041   7.8904   34.700   23.640   11.451   8.3705   70.563   34.914   66.549   28.154 4.013260 44.85105 
1 1 1   -9   27   32 o   70.132   30.495   16.432   10.334   17.840   22.956   16.074   11.573   61.923   31.188   67.463   30.599 -5.539959 43.69199 
1 1 1   -9   27   33 o   60.702   27.449   10.651   9.2303   20.140   17.962   7.2454   10.760   62.304   30.754   56.067   26.729 6.236755 40.74606 
1 1 1   -9   27   34 f   39.467   19.685  -8.0294   8.1332 -26.0800   23.109  -5.4774   8.6891   47.798   24.601   42.221   20.939 5.577187 32.30603 
1 1 1   -9   28    1 o  215.094   20.169   66.400   11.106   67.560   16.311   65.398   15.165  203.076   32.072  202.600   29.785 0.4761200 43.76968 
1 1 1   -9   28    2 o  221.410   19.269   69.786   10.941   64.442   17.095   73.494   14.240  193.956   35.328  220.218   25.430 -26.26149 43.52910 
1 1 1   -9   28    3 o   80.114   31.365   9.2038   9.4584  -4.2562   14.584   18.976   12.426   69.559   32.530  102.521   36.793 -32.96293 49.11163 
1 1 1   -9   28    4 f  138.933   27.104   30.272   9.4039   42.848   15.892   23.496   11.665  150.282   40.086  114.166   35.596 36.11549 53.60973 
1 1 1   -9   28    5 o  105.087   32.705   19.107   9.8527   2.9837   14.981   31.397   13.080   77.483   35.009  130.767   36.969 -53.28358 50.91531 
1 1 1   -9   28    6 o   92.229   32.168   14.383   9.4434   25.099   14.831   7.0758   12.247  112.160   40.202   78.823   33.723 33.33775 52.47355 
1 1 1   -9   28    7 o  123.311   30.503   25.483   9.6891   14.596   14.924   33.417   12.739   92.408   38.232  135.838   35.727 -43.42950 52.32693 
1 1 1   -9   28    8 o   49.319   23.666  -8.6351   8.7387  -1.6124   14.638 -12.5241   10.893   71.018   33.004   52.435   25.467 18.58291 41.68747 
1 1 1   -9   28    9 o   53.927   25.707  -7.6584   9.9483 -14.2700   17.251  -4.3644   12.177   65.338   31.806   63.028   29.555 2.310528 43.41805 
1 1 1   -9   28   10 o   77.682   32.858   7.9677   11.398   8.7410   17.066   7.3450   15.315   83.986   37.708   80.849   36.051 3.136581 52.16850 
1 1 1   -9   28   11 o   92.362   35.030   15.853   11.536   21.790   16.870   10.640   15.809  100.252   40.971   84.625   37.235 15.62702 55.36302 
1 1 1   -9   28   12 o  152.989   24.775   36.809   9.4822   24.712   14.658   45.515   12.435  106.525   39.678  163.348   30.510 -56.82220 50.05217 
1 1 1   -9   28   13 o   58.237   27.314  -3.7872   10.409   10.340   22.625  -7.5803   11.724   86.063   40.334   57.596   27.578 28.46607 48.86121 
1 1 1   -9   28   14 o   65.141   27.228   4.9409   7.6810  -2.8020   21.078   6.1265   8.2481   74.987   36.180   68.549   28.397 6.437340 45.99281 
1 1 1   -9   28   15 o   56.090   25.306   0.1181   7.7946   21.320   18.981  -4.1825   8.5487   93.866   41.061   52.242   24.582 41.62334 47.85733 
1 1 1   -9   28   16 o   79.289   29.389   11.051   8.0221   8.6970   23.180   11.371   8.5505   81.915   39.101   79.947   30.197 1.968132 49.40421 
1 1 1   -9   28   17 o   70.517   28.482   7.7132   8.0413   4.0550   22.877   8.2289   8.5894   77.866   37.600   72.049   29.316 5.817810 47.67749 
1 1 1   -9   28   18 o   69.467   28.115   7.5378   7.8521  -4.3640   20.824   9.5105   8.4779   70.633   34.506   74.313   29.505 -3.680458 45.40054 
1 1 1   -9   28   19 o   50.198   24.278  -7.9130   9.6348 -33.8400   19.329   0.6585   11.114   55.281   27.937   62.188   28.852 -6.907753 40.16112 
1 1 1   -9   28   20 o  108.901   32.305   24.148   9.7687   25.200   19.661   23.803   11.256   90.191   40.485  102.549   35.157 -12.35808 53.61957 
1 1 1   -9   28   21 o   57.652   25.632   2.6257   7.6832 -10.9000   18.432   5.4701   8.4525   62.009   30.708   63.874   27.677 -1.865181 41.33982 
1 1 1   -9   28   22 o   77.205   28.971   11.909   7.8430   19.220   19.371   10.476   8.5775   80.617   37.632   73.129   29.459 7.487717 47.79108 
1 1 1   -9   28   23 o  100.591   29.554   20.664   8.2093   23.550   20.370   20.105   8.9699   81.232   38.134   95.645   31.362 -14.41286 49.37447 
1 1 1   -9   28   24 o   38.759   19.241 -11.6890   7.4070 -47.6000   20.259  -6.1481   7.9579   49.251   25.221   45.124   21.882 4.126060 33.39016 
1 1 1   -9   28   25 o   47.156   22.248  -1.8024   7.0886   1.7980   21.656  -2.2345   7.5019   64.401   32.121   47.626   22.594 16.77504 39.27163 
1 1 1   -9   28   26 o   59.905   26.509   6.1041   8.1250   15.980   22.171   4.5720   8.7326   68.758   33.982   57.920   26.390 10.83823 43.02582 
1 1 1   -9   28   27 o   49.512   23.610  -1.0759   8.4060   0.0000   0.0000  -1.0759   8.4060  ?   ?    49.512   23.610 0.000000 23.60978 
1 1 1   -9   28   28 o   45.058   22.095  -5.8805   8.7824 -71.1500   20.501   8.7888   9.7193   42.569   21.966   62.068   28.107 -19.49844 35.67220 
1 1 1   -9   28   29 o   48.305   22.837   0.3048   7.5383  -8.4750   16.399   2.6570   8.4883   52.307   26.347   52.460   24.624 -0.1527977 36.06219 
1 1 1   -9   28   30 o   81.678   30.946   20.057   8.9974  -6.6560   22.946   24.910   9.7807   54.879   27.999   89.470   32.568 -34.59055 42.94876 
1 1 1   -9   28   31 o   90.776   35.213   32.607   11.837   33.050   23.883   32.462   13.629   64.153   32.245   81.331   35.193 -17.17763 47.73155 
1 1 1   -9   28   32 f   42.824   21.181  -4.8618   8.6716 -27.0800   17.933   1.9194   9.9069   44.746   22.970   49.572   24.125 -4.825790 33.31081 
1 1 1   -9   28   33 o   51.182   24.262   5.7408   8.6170  -7.1240   22.629   7.9226   9.3191   49.502   25.430   53.523   25.331 -4.020908 35.89290 
1 1 1   -9   29    1 o  193.616   20.108   55.025   9.9374   63.336   15.208   48.831   13.128  192.803   31.542  169.648   31.017 23.15575 44.23751 
1 1 1   -9   29    2 o  147.504   27.863   35.486   10.256   16.530   18.047   44.528   12.464   92.942   40.357  161.969   30.833 -69.02716 50.78772 
1 1 1   -9   29    3 o  125.882   32.062   28.038   10.483   7.8420   18.014   38.379   12.891   83.023   37.857  144.702   34.815 -61.67905 51.43158 
1 1 1   -9   29    4 o  247.628   18.863   88.815   12.009   94.810   22.553   86.443   14.187  217.434   41.558  237.844   23.328 -20.41019 47.65723 
1 1 1   -9   29    5 o  186.054   28.135   56.719   13.136   50.880   20.757   60.620   16.966  140.907   47.744  177.727   38.003 -36.82080 61.02203 
1 1 1   -9   29    6 o   94.050   36.110   17.337   12.353   16.130   20.266   18.050   15.583   91.226   41.014   93.823   38.962 -2.597198 56.57062 
1 1 1   -9   29    7 o   50.482   24.549 -11.3247   10.208  -4.2285   14.606 -18.1000   14.272   66.393   31.506   55.760   27.503 10.63293 41.82135 
1 1 1   -9   29    8 f   97.834   34.269   18.651   10.723   14.166   14.097   24.810   16.519   86.954   36.648  102.543   41.031 -15.58855 55.01471 
1 1 1   -9   29    9 o   49.081   23.870 -10.7450   9.6547   8.4680   17.902 -18.6248   11.465   80.978   37.227   48.423   24.022 32.55439 44.30472 
1 1 1   -9   29   10 o   55.784   26.020  -2.8572   9.2338   8.3220   16.628  -7.8419   11.103   79.404   36.270   55.278   26.566 24.12581 44.95844 
1 1 1   -9   29   11 o   73.058   29.263   8.4278   8.4112   7.5709   13.164   9.0189   10.934   75.408   33.538   75.903   32.148 -0.4947205 46.45746 
1 1 1   -9   29   12 o   90.823   30.441   15.410   8.4373   0.8318   13.496   24.765   10.810   67.479   31.470  110.907   34.216 -43.42781 46.48704 
1 1 1   -9   29   13 o  133.904   24.062   29.023   8.0393   31.977   12.138   26.715   10.730  124.146   35.784  115.716   33.729 8.429947 49.17478 
1 1 1   -9   29   14 o   95.021   28.450   16.437   7.5502   2.1130   19.307   19.023   8.2035   73.393   35.208  101.341   29.478 -27.94830 45.91903 
1 1 1   -9   29   15 o   63.090   26.177   5.3057   7.0252   24.860   18.610   2.0563   7.5865   93.122   40.699   57.602   25.547 35.51983 48.05258 
1 1 1   -9   29   16 o   62.425   26.987   4.4851   7.9993  -4.5980   20.209   6.1726   8.7108   68.518   33.582   66.515   28.449 2.002579 44.01257 
1 1 1   -9   29   17 o   55.481   26.287  -3.0004   10.093   27.240   19.811 -13.6010   11.729   91.553   40.900   50.339   24.849 41.21434 47.85650 
1 1 1   -9   29   18 o   55.072   26.267  -3.5777   10.416 -36.9500   19.588   9.5777   12.299   53.364   27.094   72.738   32.380 -19.37437 42.21967 
1 1 1   -9   29   19 o   47.631   23.002  -6.3409   8.5685  -3.1010   19.422  -7.1239   9.5478   65.831   32.395   49.373   23.948 16.45737 40.28625 
1 1 1   -9   29   20 o   49.309   23.230  -2.3017   7.6766 -12.1000   19.510  -0.5069   8.3502   60.586   30.261   53.168   24.782 7.417656 39.11312 
1 1 1   -9   29   21 o   50.049   23.619  -1.9066   7.9990 -13.3500   19.573   0.3877   8.7642   59.043   29.609   54.459   25.385 4.583923 39.00128 
1 1 1   -9   29   22 o   51.095   23.907  -0.3811   7.8941 -27.3800   19.934   4.6403   8.5969   53.563   27.209   59.322   26.688 -5.759129 38.11259 
1 1 1   -9   29   23 o   51.505   23.960   0.6655   7.7451   22.290   20.778  -2.8240   8.3466   73.637   35.624   48.515   23.241 25.12231 42.53443 
1 1 1   -9   29   24 o   81.643   29.906   16.415   8.2660   18.650   21.966   16.046   8.9218   68.995   34.048   78.675   30.556 -9.679794 45.74860 
1 1 1   -9   29   25 o   37.699   18.829 -12.0192   7.5534 -11.1800   24.450 -12.1077   7.9418   57.562   29.326   38.702   19.327 18.85966 35.12181 
1 1 1   -9   29   26 o   65.196   29.434   11.795   10.564   0.0000   0.0000   11.795   10.564  ?   ?    65.196   29.434 0.000000 29.43357 
1 1 1   -9   29   27 o   43.577   21.198  -3.9245   7.6255   6.3280   20.423  -5.5853   8.2200   58.948   29.655   43.345   21.279 15.60337 36.49951 
1 1 1   -9   29   28 o   76.793   30.095   17.802   8.7147   39.300   19.531   12.458   9.7378   74.154   35.530   64.198   28.677 9.956146 45.65962 
1 1 1   -9   29   29 o   72.618   29.799   17.236   8.9701   35.620   21.981   13.563   9.8255   66.156   32.893   64.092   28.705 2.064026 43.65743 
1 1 1   -9   29   30 o   72.619   32.146   24.677   11.957   3.2400   23.726   31.974   13.843   53.677   27.473   75.752   33.990 -22.07455 43.70422 
1 1 1   -9   29   31 o   48.120   23.691   1.4154   10.429 -32.2600   21.731   11.493   11.888   45.034   23.211   55.868   27.008 -10.83327 35.61108 
1 1 1   -9   29   32 o   47.854   23.683   3.0205   10.902   8.0990   18.027   0.0919   13.689   50.699   25.766   47.296   23.854 3.403614 35.11257 
1 1 1   -9   30    1 o  105.233   33.548   21.849   10.308   1.5909   13.494   50.230   15.972   68.712   31.848  152.937   39.900 -84.22454 51.05178 
1 1 1   -9   30    2 o   67.002   28.631   5.3256   8.8076   2.5219   13.355   7.4837   11.717   69.445   32.010   73.952   32.308 -4.507477 45.47984 
1 1 1   -9   30    3 o  109.795   30.489   22.096   8.9798   12.238   12.938   31.260   12.474   81.744   34.809  122.475   36.544 -40.73177 50.46920 
1 1 1   -9   30    4 f  114.651   30.260   23.922   9.1178   15.077   14.006   30.427   12.012   85.873   36.379  121.797   35.739 -35.92336 50.99738 
1 1 1   -9   30    5 o  147.350   24.749   35.257   9.1112   41.084   13.551   30.449   12.309  141.751   36.638  120.293   36.395 21.45895 51.64265 
1 1 1   -9   30    6 o  164.180   22.674   42.442   9.3853   39.294   14.576   44.671   12.266  131.918   39.536  156.699   31.316 -24.78156 50.43597 
1 1 1   -9   30    7 o   63.632   27.675   4.1343   8.5149   2.8756   13.805   4.9071   10.818   69.338   32.165   68.193   30.361 1.145638 44.23066 
1 1 1   -9   30    8 o   68.287   29.651   5.9717   9.7420   15.700   17.771   1.7924   11.648   84.446   38.145   64.998   29.936 19.44755 48.48917 
1 1 1   -9   30    9 o   55.690   26.085  -2.3503   9.4411   40.420   18.244 -17.9938   11.033  117.150   44.142   46.648   23.212 70.50250 49.87281 
1 1 1   -9   30   10 o  107.294   31.389   22.478   9.2779   28.018   14.094   18.243   12.325  105.456   38.982   89.615   35.577 15.84102 52.77588 
1 1 1   -9   30   11 o   65.096   28.110   5.3992   8.6588   8.7907   13.091   2.7616   11.545   73.928   33.121   65.038   29.898 8.890518 44.61913 
1 1 1   -9   30   12 o   71.984   29.073   9.0899   8.3776   6.5229   12.273   11.330   11.464   69.990   31.650   76.581   32.692 -6.590645 45.50251 
1 1 1   -9   30   13 o   65.466   28.055   6.1004   8.5006   5.3340   12.075   6.8534   11.969   67.806   30.947   69.633   31.393 -1.826408 44.08241 
1 1 1   -9   30   14 o   47.789   23.207  -7.9215   9.0378  -5.7030   16.377  -8.8930   10.837   62.467   30.534   51.318   25.031 11.14971 39.48285 
1 1 1   -9   30   15 o   50.916   23.855  -1.9464   7.9043 -13.7600   18.515   0.6866   8.7409   60.020   29.899   56.255   25.918 3.764969 39.56841 
1 1 1   -9   30   16 o   48.441   23.776 -10.0023   10.248 -51.9800   19.590   5.8107   12.024   48.569   24.866   66.302   30.491 -17.73306 39.34526 
1 1 1   -9   30   17 o   59.804   27.009   3.7344   8.9043   28.640   20.027  -2.4024   9.9410   85.718   39.395   53.945   25.710 31.77319 47.04185 
1 1 1   -9   30   18 o   63.261   26.712   6.8232   7.5115  -8.3000   20.110   9.2753   8.0976   61.354   30.656   68.556   28.244 -7.202126 41.68325 
1 1 1   -9   30   19 o   63.304   26.899   7.2099   7.6959   12.330   20.181   6.3386   8.3250   70.073   34.174   61.939   27.142 8.134773 43.64128 
1 1 1   -9   30   20 o   90.412   30.431   19.104   8.4322   21.900   20.919   18.562   9.2139   73.569   35.628   85.870   31.556 -12.30122 47.59331 
1 1 1   -9   30   21 o   88.978   30.512   19.271   8.4785  -4.4430   21.345   23.714   9.2387   59.803   30.114   97.740   31.818 -37.93707 43.80923 
1 1 1   -9   30   22 o   70.093   27.423   11.382   7.2263   20.190   21.513   10.262   7.6721   68.274   33.692   66.717   27.489 1.556900 43.48384 
1 1 1   -9   30   23 o   56.620   25.493   5.5290   7.8627  -6.9460   21.620   7.4304   8.4406   56.552   28.686   59.832   26.715 -3.280113 39.19961 
1 1 1   -9   30   24 o   45.685   22.336  -4.2263   8.7797   0.0000   0.0000  -4.2263   8.7797  ?   ?    45.685   22.336 0.000000 22.33640 
1 1 1   -9   30   25 o   50.035   23.939   1.0847   8.7939   4.6800   22.156   0.4124   9.5809   57.573   29.186   50.243   24.278 7.330257 37.96414 
1 1 1   -9   30   26 o   53.684   25.112   5.0594   8.7001  -3.9150   21.843   6.7515   9.4850   53.964   27.513   55.904   26.173 -1.940533 37.97343 
1 1 1   -9   30   27 o   55.693   25.716   7.4089   8.6771   25.430   18.539   2.3534   9.8191   63.449   31.305   50.528   24.455 12.92062 39.72475 
1 1 1   -9   30   28 o   50.976   24.273   4.4639   8.8188  -6.1160   19.104   7.3289   9.9414   50.046   25.534   54.118   25.770 -4.072285 36.27820 
1 1 1   -9   30   29 o   43.099   21.681  -7.4471   10.917 -10.1100   21.951  -6.5721   12.584   48.642   24.991   45.097   22.761 3.544838 33.80259 
1 1 1   -9   30   30 o   44.835   22.375  -1.4847   10.567   14.820   22.121  -6.3055   12.028   51.912   26.566   43.568   22.020 8.344090 34.50543 
1 1 1   -9   31    1 o   85.853   31.482   14.981   9.1640   14.632   13.757   15.260   12.287   81.636   35.342   83.285   34.592 -1.649010 49.45365 
1 1 1   -9   31    2 o  108.361   36.327   27.043   12.016   0.0000   0.0000   27.043   12.016  ?   ?   108.361   36.327 0.000000 36.32693 
1 1 1   -9   31    3 o   98.670   31.285   19.567   8.9735   20.402   14.124   19.003   11.620   89.867   37.188   90.879   34.990 -1.011742 51.06137 
1 1 1   -9   31    4 o  103.365   30.247   20.769   8.6138   26.507   12.916   16.173   11.560  103.631   37.471   85.052   34.221 18.57930 50.74588 
1 1 1   -9   31    5 o   63.804   27.736   5.0730   8.5437   18.015   13.557  -3.4528   11.004   86.040   36.084   56.880   27.092 29.16056 45.12256 
1 1 1   -9   31    6 o  104.866   30.975   21.940   8.9964   16.702   13.506   26.118   12.062   83.650   35.591  104.649   36.364 -20.99899 50.88284 
1 1 1   -9   31    7 o   64.249   28.093   5.3150   8.8765   12.070   17.021   2.7916   10.403   76.881   35.682   62.469   28.593 14.41155 45.72469 
1 1 1   -9   31    8 o   90.106   32.145   17.542   9.4714  -0.2072   15.358   28.434   12.032   65.129   31.285  109.128   36.349 -43.99921 47.95849 
1 1 1   -9   31    9 o   87.594   30.600   15.956   8.5467   14.377   12.248   17.454   11.932   79.364   33.834   84.945   34.556 -5.581589 48.36183 
1 1 1   -9   31   10 o  105.239   29.094   21.548   8.1965   18.364   11.473   24.867   11.714   86.726   34.358  100.201   35.749 -13.47522 49.58269 
1 1 1   -9   31   11 o  111.237   28.968   23.993   8.4293   21.012   11.831   27.067   12.013   90.549   35.182  103.275   36.266 -12.72529 50.52724 
1 1 1   -9   31   12 o   64.008   27.610   6.4229   8.3357   6.7970   11.798   6.0500   11.779   66.873   30.548   65.962   30.277 0.9113159 43.01057 
1 1 1   -9   31   13 o   54.101   24.699   1.3383   7.6971   6.1253   10.499  -4.2257   11.319   64.561   29.226   54.543   26.364 10.01798 39.36026 
1 1 1   -9   31   14 o   80.247   31.712   15.442   9.7513   9.4670   17.285   18.232   11.810   69.611   33.372   82.153   34.001 -12.54217 47.64239 
1 1 1   -9   31   15 o   66.407   28.064   8.6027   8.3028   20.560   20.162   6.1609   9.1112   75.677   36.218   62.344   27.802 13.33313 45.65842 
1 1 1   -9   31   16 o   51.777   23.376   1.9340   6.6638   1.3410   20.751   2.0021   7.0365   63.847   31.780   52.581   23.853 11.26560 39.73592 
1 1 1   -9   31   17 o   72.032   28.797   12.004   8.1283   1.3250   21.323   13.819   8.7921   62.798   31.406   75.042   29.967 -12.24446 43.40944 
1 1 1   -9   31   18 o   52.690   24.580   1.5682   8.2436 -15.3200   20.034   5.0106   9.0448   55.093   27.910   58.157   26.634 -3.063580 38.57951 
1 1 1   -9   31   19 o   50.611   23.831   0.6724   8.0588 -18.7400   20.103   4.3895   8.7966   53.172   27.041   56.265   25.950 -3.093090 37.47844 
1 1 1   -9   31   20 o   54.381   24.326   4.5740   7.0325   10.520   20.970   3.8205   7.4648   62.168   31.099   53.512   24.388 8.656082 39.52136 
1 1 1   -9   31   21 o   52.790   24.310   3.7051   7.6788   10.670   21.483   2.6849   8.2220   60.751   30.542   51.936   24.332 8.815117 39.04943 
1 1 1   -9   31   22 o   58.682   26.546   8.0682   8.6425   0.0000   0.0000   8.0682   8.6425  ?   ?    58.682   26.546 0.000000 26.54553 
1 1 1   -9   31   23 o   48.123   23.157   0.2620   8.5005   15.370   22.635  -2.2186   9.1718   59.335   30.014   46.734   22.845 12.60104 37.71959 
1 1 1   -9   31   24 o   49.238   23.497   2.1049   8.3584   2.6290   21.872   2.0153   9.0450   54.513   27.769   49.739   23.923 4.774063 36.65285 
1 1 1   -9   31   25 o   37.071   18.679 -12.6491   8.2841   15.670   21.167 -17.7712   9.0021   56.915   28.817   36.076   18.321 20.83924 34.14816 
1 1 1   -9   31   26 o   84.387   31.105   24.401   8.9621   3.8500   20.680   29.154   9.9445   52.155   26.607   88.853   32.763 -36.69770 42.20613 
1 1 1   -9   31   27 o   66.346   28.441   16.823   8.7415   6.5480   20.058   19.232   9.7123   51.302   26.174   67.185   29.381 -15.88290 39.34937 
1 1 1   -9   31   28 o   41.428   20.796  -5.6460   9.7722   4.8390   19.849  -9.0006   11.227   49.217   25.185   41.378   20.955 7.839268 32.76269 
1 1 1   -9   31   29 f   45.966   22.698   3.5518   9.8158   6.2180   22.558   2.9291   10.902   47.743   24.559   45.839   22.852 1.903889 33.54614 
1 1 1   -9   32    1 o  114.663   28.333   25.088   8.3664   33.094   12.559   18.701   11.218  114.653   37.081   86.677   34.090 27.97626 50.36969 
1 1 1   -9   32    2 o  119.146   26.978   26.132   8.1324   7.9430   12.220   40.593   10.896   68.702   31.270  144.373   30.110 -75.67072 43.40932 
1 1 1   -9   32    3 o   67.524   27.948   8.2320   7.9795   5.9135   11.354   10.495   11.217   65.551   29.953   71.809   31.485 -6.258072 43.45700 
1 1 1   -9   32    4 o   61.909   27.030   5.3976   8.1900   3.0111   12.091   7.4208   11.133   62.734   29.428   67.193   30.286 -4.459282 42.22894 
1 1 1   -9   32    5 f  122.507   26.750   27.640   8.2506   25.979   12.080   29.093   11.296   98.724   36.154  109.622   35.137 -10.89706 50.41538 
1 1 1   -9   32    6 o   83.510   31.791   16.271   9.5238   1.4450   15.611   25.060   12.020   63.937   30.918   96.365   35.923 -32.42779 47.39639 
1 1 1   -9   32    7 o  104.658   30.631   23.249   8.8334   31.150   14.264   18.333   11.250  100.009   38.693   83.944   33.765 16.06540 51.35412 
1 1 1   -9   32    8 f   84.629   29.808   15.696   8.1193   11.441   11.681   19.674   11.294   71.441   31.691   85.883   34.069 -14.44174 46.52973 
1 1 1   -9   32    9 o   54.633   24.721   2.3359   7.5019  -3.8436   10.423   8.9768   10.805   52.579   25.387   67.481   30.172 -14.90230 39.43130 
1 1 1   -9   32   10 o  143.398   23.890   36.284   8.5617   30.678   12.313   41.531   11.913  104.122   36.703  134.231   34.173 -30.10883 50.14950 
1 1 1   -9   32   11 o   55.979   26.077   1.9401   9.2257   30.050   19.619  -6.0408   10.454   81.872   38.102   50.149   24.488 31.72345 45.29248 
1 1 1   -9   32   12 o   64.215   30.164   7.5000   12.777  -0.1649   18.061   15.180   18.079   61.298   30.363   70.347   33.831 -9.048721 45.45808 
1 1 1   -9   32   13 o   41.556   20.770 -13.8664   9.2647 -22.7771   11.133   6.2000   16.707   41.225   20.876   63.412   30.963 -22.18664 37.34307 
1 1 1   -9   32   14 o   68.426   27.671   10.634   7.5992   2.3260   11.722   16.659   9.9809   57.226   27.447   77.070   31.507 -19.84464 41.78593 
1 1 1   -9   32   15 o   45.462   22.425  -7.6397   9.4950   4.0640   20.674 -10.7682   10.689   61.158   30.636   45.639   22.732 15.51982 38.14812 
1 1 1   -9   32   16 o   40.772   20.196  -8.9597   7.9891 -34.8900   20.480  -4.3054   8.6765   48.843   25.036   46.071   22.455 2.771965 33.63097 
1 1 1   -9   32   17 o   51.729   24.266   2.3154   8.2207   15.860   20.886  -0.1676   8.9425   63.366   31.596   49.846   23.925 13.52074 39.63200 
1 1 1   -9   32   18 o   65.270   27.670   11.323   8.1120   42.240   21.384   6.1258   8.7673   74.430   36.039   56.326   25.953 18.10454 44.41139 
1 1 1   -9   32   19 o   47.124   22.710  -0.7146   8.2479  -4.8880   20.756   0.0679   8.9880   53.891   27.414   48.860   23.587 5.031303 36.16430 
1 1 1   -9   32   20 o   41.931   20.900  -8.3452   9.1061   0.0000   0.0000  -8.3452   9.1061  ?   ?    41.931   20.900 0.000000 20.90026 
1 1 1   -9   32   21 o   46.654   22.936  -1.9709   9.6565   19.980   22.753  -6.7934   10.665   58.752   29.762   44.732   22.347 14.01991 37.21741 
1 1 1   -9   32   22 o   48.639   23.400   2.1766   8.6685 -13.9100   21.783   5.2033   9.4489   49.408   25.360   52.084   24.890 -2.675713 35.53364 
1 1 1   -9   32   23 o   84.376   30.687   23.628   8.6811   23.630   22.289   23.627   9.4253   57.246   29.048   79.484   31.252 -22.23715 42.66671 
1 1 1   -9   32   24 o   51.751   24.296   6.6126   8.2709 -12.9100   22.262   9.7388   8.9086   47.853   24.605   55.353   25.732 -7.499886 35.60227 
1 1 1   -9   32   25 o   45.149   21.976   1.3744   8.2304 -25.9300   21.091   6.2792   8.9391   44.224   22.796   50.152   24.032 -5.928001 33.12395 
1 1 1   -9   32   26 o   56.541   26.924   15.838   10.850  -0.0345   18.944   23.588   13.237   47.133   24.154   59.281   28.619 -12.14821 37.44981 
1 1 1   -9   32   27 o   44.919   22.769   0.8768   13.458   2.1720   17.532  -0.9814   20.999   45.976   23.538   45.714   23.525 0.2626457 33.27799 
1 1 1   -9   33    1 o   53.094   24.254   1.9747   7.4367   3.2986   10.446   0.6140   10.590   58.680   27.471   55.997   26.646 2.683193 38.27111 
1 1 1   -9   33    2 o   57.329   25.552   4.4059   7.6850   0.6676   11.411   7.5086   10.396   56.931   27.246   63.744   28.947 -6.813225 39.75266 
1 1 1   -9   33    3 o   40.765   20.037  -8.3482   7.3596 -15.3330   10.644  -1.9493   10.188   44.109   22.078   52.802   25.394 -8.693508 33.64982 
1 1 1   -9   33    4 o   65.453   27.260   8.7616   7.6598   2.0312   10.893   15.344   10.773   57.393   27.227   75.149   31.874 -17.75652 41.91989 
1 1 1   -9   33    5 o   95.760   29.746   20.647   8.1547   14.253   12.401   25.519   10.824   71.411   32.097   95.628   34.337 -24.21708 47.00276 
1 1 1   -9   33    6 o   66.039   28.471   9.5815   8.8547  -0.0955   14.919   14.844   11.002   58.609   28.751   73.188   31.645 -14.57924 42.75546 
1 1 1   -9   33    7 o   81.110   30.684   16.829   8.8371   14.360   15.466   18.025   10.768   68.825   32.590   78.535   32.482 -9.709846 46.01300 
1 1 1   -9   33    8 o   59.053   26.634   5.8665   8.6247 -12.4300   17.654   11.602   9.8846   54.105   27.263   67.986   29.689 -13.88117 40.30720 
1 1 1   -9   33    9 o   74.671   33.430   19.621   13.311   22.450   20.096   17.410   17.767   70.515   34.327   68.626   33.137 1.889153 47.71147 
1 1 1   -9   33   10 o   45.028   22.262  -8.1952   9.5442 -10.4190   11.354  -2.8380   17.622   46.829   23.341   56.898   28.470 -10.06887 36.81476 
1 1 1   -9   33   11 o   56.547   25.357   5.4922   7.6910   13.948   11.389  -1.5975   10.428   67.844   30.601   51.105   24.843 16.73933 39.41596 
1 1 1   -9   33   12 o   32.476   16.491 -19.0340   7.2790 -18.1937   10.267 -19.8832   10.322   40.191   20.317   39.543   20.033 0.6474838 28.53229 
1 1 1   -9   33   13 o   46.539   22.327  -1.2932   7.7668  -3.6304   10.640   1.3730   11.364   48.811   24.012   53.303   25.917 -4.491486 35.33040 
1 1 1   -9   33   14 o   42.767   21.006  -5.4059   8.0421  -2.4273   11.669  -8.1004   11.099   50.219   24.789   46.075   22.983 4.144047 33.80401 
1 1 1   -9   33   15 o   49.532   23.836   0.8807   9.0089   22.340   21.647  -3.6144   9.9076   62.460   31.296   46.838   23.066 15.62141 38.87824 
1 1 1   -9   33   16 o   89.751   29.358   21.612   7.8618   60.700   22.019   15.901   8.4166   79.507   37.995   71.657   29.070 7.849503 47.84072 
1 1 1   -9   33   17 o   74.789   30.721   20.022   9.5460   0.0000   0.0000   20.022   9.5460  ?   ?    74.789   30.721 0.000000 30.72129 
1 1 1   -9   33   18 o   56.296   26.815   9.4622   10.782   0.0000   0.0000   9.4622   10.782  ?   ?    56.296   26.815 0.000000 26.81535 
1 1 1   -9   33   19 o   42.759   21.353  -6.3202   9.6961 -40.4200   21.302   2.5909   10.890   44.011   22.697   49.738   24.432 -5.726574 33.34777 
1 1 1   -9   33   20 f   49.761   23.776   4.4815   8.6135 -11.5900   21.132   7.6836   9.4326   48.190   24.749   53.192   25.264 -5.001163 35.36600 
1 1 1   -9   33   21 o   38.275   19.209  -8.7233   8.3134 -35.5100   20.987  -3.7377   9.0541   43.343   22.360   42.549   21.148 0.7940712 30.77701 
1 1 1   -9   33   22 o   36.278   18.333 -11.5638   8.3193 -10.5200   20.648 -11.7661   9.0897   46.504   23.899   37.521   18.985 8.982826 30.52151 
1 1 1   -9   33   23 o   43.587   21.466   0.2799   8.5834 -27.4600   21.500   5.5396   9.3619   43.160   22.279   48.230   23.467 -5.069851 32.35847 
1 1 1   -9   33   24 o   62.456   27.690   18.200   8.9057   47.920   22.637   12.758   9.6868   55.922   28.464   53.521   25.473 2.400906 38.19772 
1 1 1   -9   33   25 o   41.973   21.172  -1.6205   10.800   3.0070   20.935  -3.2985   12.607   45.316   23.328   42.184   21.449 3.132374 31.69030 
1 1 1   -9   33   26 o   41.255   21.143  -4.8339   14.525  -8.6730   19.586  -0.1421   21.653   41.854   21.592   43.375   22.389 -1.521576 31.10426 
1 1 1   -9   34    1 o   61.479   26.677   8.5074   7.8745  -0.1752   11.324   16.638   10.958   52.856   25.738   71.620   31.268 -18.76403 40.49846 
1 1 1   -9   34    2 o   54.478   24.633   4.5990   7.4331 -12.7750   10.933   19.532   10.136   44.162   22.144   78.630   31.901 -34.46783 38.83341 
1 1 1   -9   34    3 o   99.631   29.777   24.025   8.2769   20.766   11.908   27.072   11.512   75.518   32.787   88.060   34.566 -12.54195 47.64232 
1 1 1   -9   34    4 o  162.773   26.104   53.630   10.634   57.580   21.438   52.341   12.247   87.803   40.501  143.813   33.500 -56.00963 52.56020 
1 1 1   -9   34    5 f   65.345   31.283   16.210   15.069   0.0000   0.0000   16.210   15.069  ?   ?    65.345   31.283 0.000000 31.28283 
1 1 1   -9   34    6 o   60.366   29.939   10.370   17.769   0.0000   0.0000   10.370   17.769  ?   ?    60.366   29.939 0.000000 29.93940 
1 1 1   -9   34    7 o   39.390   19.891 -16.3156   9.6910 -22.8279   11.647  -1.6620   17.471   40.304   20.505   54.536   27.434 -14.23191 34.25040 
1 1 1   -9   34    8 o   55.639   25.079   6.1675   7.6337   1.5761   10.955   10.502   10.643   52.276   25.424   60.922   28.254 -8.646328 38.00896 
1 1 1   -9   34    9 o   90.084   30.185   22.244   8.2958   26.311   12.036   18.564   11.450   79.558   33.715   69.555   31.081 10.00323 45.85575 
1 1 1   -9   34   10 o   60.072   26.452   9.4440   7.9925   16.509   11.138   1.9446   11.475   66.494   30.103   51.990   25.444 14.50465 39.41508 
1 1 1   -9   34   11 o   59.247   26.295   9.3484   8.0508   9.8786   11.105   8.7610   11.689   58.113   27.546   56.903   27.323 1.209381 38.79866 
1 1 1   -9   34   12 o   43.841   21.355  -2.2423   7.8124  -4.0320   11.699  -0.8018   10.496   47.365   23.622   48.297   23.776 -0.9329071 33.51558 
1 1 1   -9   34   13 o   68.709   28.763   15.880   8.5899   15.212   12.545   16.470   11.786   60.535   28.860   62.654   29.283 -2.119110 41.11411 
1 1 1   -9   34   14 o   85.970   35.321   36.326   12.622   0.0000   0.0000   36.326   12.622  ?   ?    85.970   35.321 0.000000 35.32100 
1 1 1   -9   34   15 o   79.247   30.804   22.830   9.0732   19.260   13.138   26.085   12.545   61.371   29.334   69.610   31.683 -8.238785 43.17770 
1 1 1   -9   34   16 f   57.936   28.563   19.220   15.333   0.0000   0.0000   19.220   15.333  ?   ?    57.936   28.563 0.000000 28.56313 
1 1 1   -9   34   17 o   45.429   23.347 -17.9200   19.634 -17.9200   19.634   0.0000   0.0000   45.429   23.347  ?   ?  0.000000 23.34716 
1 1 1   -9   34   18 o   48.700   23.409   4.9719   8.6317  -5.7600   20.038   7.4170   9.5646   47.310   24.286   51.036   24.560 -3.726078 34.53950 
1 1 1   -9   34   19 o   46.191   22.427   3.1442   8.4283   19.360   20.267  -0.2468   9.2677   52.268   26.635   43.985   21.780 8.283298 34.40668 
1 1 1   -9   34   20 o   35.230   17.852 -11.8974   8.2233 -58.2800   19.399  -1.7373   9.0794   37.658   19.514   42.168   20.994 -4.510067 28.66273 
1 1 1   -9   34   21 o   46.603   22.667   5.3585   8.7107   2.0720   20.496   6.0829   9.6230   46.153   23.723   47.145   23.120 -0.9926910 33.12612 
1 1 1   -9   34   22 o   54.789   25.593   14.595   8.9828   16.580   21.386   14.170   9.8983   47.516   24.421   52.671   25.252 -5.155228 35.12880 
1 1 1   -9   34   23 o   38.873   19.696  -5.0385   10.001 -29.1400   20.977   2.0519   11.378   39.653   20.539   42.732   21.576 -3.079227 29.78881 
1 1 1   -9   34   24 o   47.604   23.512   13.039   10.555   20.440   21.315   10.634   12.150   45.093   23.229   45.231   22.769 -0.1378822 32.52755 
1 1 1   -9   35    1 o   39.886   20.011 -10.5410   8.9887 -17.3162   10.774   4.9750   16.304   39.738   20.167   53.955   27.053 -14.21684 33.74270 
1 1 1   -9   35    2 f   55.706   26.134   7.9676   9.5401   8.2066   11.906   7.5390   15.946   55.532   26.890   54.968   27.440 0.5644341 38.41865 
1 1 1   -9   35    3 o   55.513   25.560   7.7031   8.4829   1.1642   11.751   14.819   12.258   50.271   24.826   60.924   28.896 -10.65250 38.09623 
1 1 1   -9   35    4 o   37.690   18.973 -12.1297   8.4331  -4.1970   12.860 -18.1146   11.170   47.852   23.998   39.830   20.246 8.022209 31.39720 
1 1 1   -9   35    5 o   41.968   20.728  -4.7336   8.2023 -13.7400   15.084  -0.9522   9.7736   45.701   23.259   46.934   23.074 -1.233067 32.76248 
1 1 1   -9   35    6 o   48.949   23.185   3.2276   7.8377   1.3502   11.213   5.0209   10.959   49.412   24.373   51.981   25.314 -2.568645 35.14056 
1 1 1   -9   35    7 o   34.819   17.620 -14.4550   7.8464 -14.7103   11.486 -14.2315   10.744   41.146   20.875   40.303   20.420 0.8425674 29.20218 
1 1 1   -9   35    8 o   76.778   29.459   19.593   8.2183   11.219   11.652   27.884   11.594   56.139   27.039   76.016   32.675 -19.87609 42.41138 
1 1 1   -9   35    9 o   67.452   27.652   14.965   7.7144   8.1276   10.656   22.496   11.183   53.351   25.736   68.628   30.689 -15.27704 40.05200 
1 1 1   -9   35   10 o   54.523   25.142   8.6864   8.2514   7.2969   11.950   9.9526   11.407   52.009   25.558   54.109   26.229 -2.099419 36.62212 
1 1 1   -9   35   11 o   57.607   26.666   12.383   9.4157   19.750   15.298   7.8907   11.947   57.417   28.349   51.867   25.501 5.550346 38.13116 
1 1 1   -9   35   12 o   49.126   24.079   4.7987   10.396   11.860   13.793  -4.4890   15.819   53.186   26.378   46.619   23.735 6.567707 35.48497 
1 1 1   -9   35   13 o   52.457   24.997   8.9969   9.3887   10.327   12.036   6.9300   15.004   52.283   25.683   49.962   25.170 2.320221 35.96071 
1 1 1   -9   35   14 f   47.285   23.026   4.0995   9.0638   0.2231   12.145   8.9730   13.618   45.918   23.068   50.390   25.185 -4.472645 34.15303 
1 1 1   -9   35   15 o   44.541   21.745   1.9520   8.2331   6.2243   11.929  -1.9337   11.377   48.436   24.107   43.970   22.122 4.465439 32.71862 
1 1 1   -9   35   16 o   39.309   19.857  -7.6218   9.7090 -14.5400   17.362  -4.4738   11.711   42.744   21.968   42.512   21.515 0.2320976 30.74842 
1 1 1   -9   35   17 o   36.031   18.158  -8.1617   7.8453 -13.3900   16.892  -6.7238   8.8587   42.153   21.664   38.291   19.296 3.862686 29.01172 
1 1 1   -9   35   18 o   41.671   20.592   0.6071   8.1312   12.500   17.128  -2.8529   9.2386   47.605   24.279   40.282   20.221 7.323311 31.59669 
1 1 1   -9   35   19 o   40.009   19.891  -0.6431   8.0289  -1.5760   17.149  -0.3812   9.0862   43.161   22.171   40.939   20.478 2.222790 30.18120 
1 1 1   -9   35   20 o   35.015   17.760  -8.6909   8.2718 -24.9500   18.401  -4.5730   9.2602   38.730   20.014   38.091   19.260 0.6391335 27.77618 
1 1 1   -9   35   21 o   40.164   20.093   1.3528   8.7581   24.670   19.146  -4.8176   9.8490   46.072   23.655   37.691   19.144 8.380634 30.43119 
1 1 1   -9   35   22 o   42.771   22.089   17.630   21.670   0.0000   0.0000   17.630   21.670  ?   ?    42.771   22.089 0.000000 22.08949 
1 1 1   -9   36    1 o   55.606   25.243   10.167   7.8975   9.5807   11.615   10.672   10.770   52.190   25.554   53.463   25.812 -1.272938 36.32151 
1 1 1   -9   36    2 o   55.971   25.303   10.413   7.8383   13.885   10.935   6.7444   11.241   56.114   26.805   50.159   24.676 5.954170 36.43369 
1 1 1   -9   36    3 o   40.125   20.092  -6.0805   8.8520   2.8210   14.458 -11.4187   11.196   48.249   24.357   40.451   20.532 7.798321 31.85596 
1 1 1   -9   36    4 o   50.818   24.239   7.3947   8.8740 -13.3400   14.400   20.091   11.268   42.586   21.765   61.417   28.680 -18.83134 36.00360 
1 1 1   -9   36    5 o   56.441   26.169   12.621   9.1209   14.540   15.981   11.694   11.108   52.421   26.352   53.327   25.858 -0.9065475 36.91970 
1 1 1   -9   36    6 o   37.042   18.723 -10.6672   8.7073 -22.1400   14.579  -4.3056   10.856   40.104   20.594   42.831   21.556 -2.726910 29.81211 
1 1 1   -9   36    7 o   53.000   25.281   10.801   9.6542  -6.2040   15.009   22.803   12.609   44.422   22.662   59.844   28.640 -15.42249 36.52179 
1 1 1   -9   36    8 o   35.603   18.209 -19.4277   10.246 -20.8100   14.475 -18.0400   14.504   39.930   20.506   40.626   20.841 -0.6956215 29.23762 
1 1 1   -9   36    9 o   48.198   23.453   6.3406   9.3532   2.7960   11.978   11.880   14.973   46.115   23.131   50.063   25.211 -3.947803 34.21489 
1 1 1   -9   36   10 o   44.162   21.730   2.0024   8.7330   6.2663   10.686  -6.5720   15.153   47.604   23.540   43.445   22.214 4.159061 32.36616 
1 1 1   -9   36   11 o   39.897   19.897  -2.9529   8.2967   8.8563   11.726 -14.7933   11.741   48.543   24.117   38.320   19.590 10.22245 31.07078 
1 1 1   -9   36   12 o   49.464   23.707   8.8890   8.7097   12.205   12.278   5.5293   12.358   49.685   24.683   46.164   23.202 3.520641 33.87636 
1 1 1   -9   36   13 o   50.188   23.840   9.8855   8.4047   13.302   11.790   6.3548   11.985   49.966   24.711   46.003   23.084 3.963615 33.81546 
1 1 1   -9   36   14 o   41.146   20.317   0.9061   7.8625  -2.2952   10.540   4.9225   11.806   40.918   20.673   44.669   22.481 -3.750755 30.54081 
1 1 1   -9   36   15 f   41.612   20.464   2.2321   7.7083   8.2994   11.280  -3.0840   10.558   45.726   22.864   40.046   20.284 5.679863 30.56512 
1 1 1   -9   36   16 o   42.771   21.413   4.1222   10.037  -2.5810   17.563   7.3729   12.231   41.774   21.498   44.240   22.341 -2.465714 31.00488 
1 1 1   -9   36   17 o   43.571   21.385   6.2353   8.2888   14.530   17.965   3.9920   9.3427   44.261   22.734   41.869   20.916 2.391647 30.89232 
1 1 1   -9   36   18 o   41.215   20.471   4.3316   8.4286   16.370   17.335   0.6044   9.6456   43.707   22.445   39.284   19.839 4.423393 29.95581 
1 1 1   -9   36   19 o   38.505   19.300   1.5565   8.2657  -1.7900   17.424   2.5284   9.3895   39.276   20.265   39.322   19.822 -0.4578781E-01 28.34814 
1 1 1   -9   37    1 o   35.539   18.050 -11.1389   8.7526 -16.8362   11.375  -2.8710   13.703   36.770   18.835   42.768   21.804 -5.997990 28.81242 
1 1 1   -9   37    2 o   41.223   20.647  -1.2403   9.3776   5.4842   12.029 -11.6600   14.973   45.599   22.914   40.851   20.971 4.748005 31.06218 
1 1 1   -9   37    3 o   41.669   21.023  -1.7477   10.682   2.9900   15.012  -6.6060   15.202   44.686   22.785   42.085   21.572 2.600380 31.37694 
1 1 1   -9   37    4 o   58.802   27.714   22.952   10.947   26.340   14.842   18.910   16.212   53.679   26.744   49.400   25.035 4.278954 36.63344 
1 1 1   -9   37    5 o   41.887   20.683   1.4873   8.1482  -1.0239   11.845   3.7427   11.226   42.217   21.395   44.200   22.201 -1.982925 30.83281 
1 1 1   -9   37    6 o   36.808   18.560  -6.2479   8.2591  -0.4085   12.087 -11.3619   11.312   42.333   21.471   37.913   19.369 4.420197 28.91674 
1 1 1   -9   37    7 o   58.765   26.638   18.264   8.7553   20.217   12.505   16.386   12.262   52.128   25.718   50.066   24.838 2.062359 35.75337 
1 1 1   -9   37    8 o   43.622   21.457   4.5256   8.4906  -1.6654   11.987   10.760   12.028   41.262   20.974   46.687   23.384 -5.425190 31.41199 
1 1 1   -9   37    9 o   39.162   19.548  -0.9100   8.0873   2.4904   11.506  -4.2297   11.369   42.430   21.456   39.696   20.202 2.734818 29.46993 
1 1 1   -9   37   10 o   39.461   19.595   0.3845   7.7019   17.241   10.997 -15.8427   10.790   50.428   24.727   35.123   18.015 15.30453 30.59382 
1 1 1   -9   37   11 o   31.406   15.997 -11.9912   7.2453 -12.4796   9.5709 -11.3356   11.089   34.586   17.681   36.441   18.661 -1.854877 25.70704 
1 1 1   -9   37   12 o   48.046   23.177   12.026   8.6409   26.061   12.230  -1.9654   12.211   52.640   25.865   39.598   20.222 13.04216 32.83158 
1 1 1   -9   37   13 o   43.702   21.577   8.0502   8.8584  -2.7083   12.547   18.742   12.508   38.950   19.938   47.032   23.598 -8.082451 30.89300 
1 1 1   -9   37   14 o   39.324   19.738   2.3792   8.7966   14.228   12.728  -8.4553   12.171   43.968   22.271   36.660   18.825 7.308338 29.16116 
1 1 1   -9   37   15 o   46.378   22.629   13.644   8.8784   25.332   12.545   1.9141   12.567   48.062   24.044   39.004   19.965 9.058140 31.25294 
1 1 1   -9   37   16 o   44.372   21.645   11.255   8.1089   17.710   11.303   4.4088   11.640   44.611   22.390   38.951   19.879 5.659962 29.94125 
1 1 1   -9   38    1 o   35.119   17.744  -5.0679   7.7729  -7.2729   10.738  -2.6408   11.266   36.804   18.808   38.673   19.721 -1.869446 27.25171 
1 1 1   -9   38    2 o   32.925   16.864 -14.0082   9.0992 -18.8700   14.890 -11.1104   11.495   36.487   18.823   36.100   18.522 0.3876038 26.40789 
1 1 1   -9   38    3 o   38.637   19.504  -0.2090   9.2680  -8.4380   15.077   4.7888   11.750   38.389   19.764   41.292   20.967 -2.903049 28.81342 
1 1 1   -9   38    4 o   37.340   18.772  -1.1601   8.1135 -12.9182   11.840   9.2504   11.141   35.644   18.316   43.125   21.721 -7.481049 28.41236 
1 1 1   -9   38    5 o   29.283   15.038 -18.4053   7.7887 -24.8525   11.877 -13.5412   10.317   32.858   16.945   34.086   17.492 -1.227627 24.35414 
1 1 1   -9   38    6 o   40.015   19.956   3.6637   8.3464   18.864   12.390  -8.9666   11.294   46.175   23.211   35.986   18.456 10.18995 29.65432 
1 1 1   -9   38    7 o   36.698   18.508  -1.3547   8.2330  -3.8783   11.918   0.9491   11.387   37.507   19.218   38.882   19.827 -1.374393 27.61206 
1 1 1   -9   38    8 o   40.578   20.156   5.4283   8.1741   10.169   11.715   0.9297   11.411   41.935   21.255   38.539   19.670 3.395287 28.96005 
1 1 1   -9   38    9 o   39.472   19.759   4.4639   8.5319  -0.8998   11.971   10.001   12.163   37.698   19.311   41.222   20.970 -3.523872 28.50740 
1 1 1   -9   38   10 o   31.501   16.126 -11.2687   8.2176  -4.5923   11.748 -17.6640   11.499   36.187   18.577   32.916   16.961 3.270924 25.15530 
1 1 1   -9   38   11 o   36.633   18.446   1.3160   8.0025 -14.6712   11.899   14.519   10.813   33.478   17.251   42.640   21.467 -9.161976 27.53905 
1 1 1   -9   38   12 o   40.657   20.184   8.5594   8.1514   0.1232   11.484   17.125   11.572   36.447   18.687   42.349   21.427 -5.902367 28.43074 
1 1 1   -9   38   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   39    1 o   34.929   17.811  -1.4432   9.1820 -13.6400   14.687   6.3822   11.764   34.213   17.687   37.883   19.386 -3.669876 26.24164 
1 1 1   -9   39    2 o   33.946   17.372  -4.3316   9.4645   5.1040   16.043  -9.3689   11.722   37.243   19.226   33.721   17.364 3.521816 25.90651 
1 1 1   -9   39    3 o   34.122   17.354  -1.9602   8.2885 -15.1917   11.664   11.539   11.781   32.372   16.699   39.271   20.038 -6.898678 26.08428 
1 1 1   -9   39    4 o   32.639   16.635  -4.5227   7.9272  -9.6720   11.118   0.8026   11.306   33.108   17.041   35.840   18.387 -2.731911 25.06976 
1 1 1   -9   39    5 o   34.284   17.400  -0.5994   8.0285   17.908   12.018 -15.5133   10.789   40.799   20.764   31.443   16.213 9.355816 26.34381 
1 1 1   -9   39    6 o   40.108   20.041   10.769   8.6002   0.7523   12.870   18.850   11.560   35.518   18.285   41.165   20.891 -5.646683 27.76265 
1 1 1   -9   39    7 o   29.897   15.368 -12.7687   8.6209  -9.2630   12.684 -15.7780   11.752   33.211   17.142   31.595   16.316 1.616396 23.66563 
1 1 1   -8    0    1 o  476.281   11.764  294.926   14.493  294.926   14.493  294.926   14.493  476.281   11.764  476.281   11.764 -0.000000 0.000000 
1 1 1   -8    0    2 o  151.802   12.984   30.566   5.0196   30.566   5.0196   30.566   5.0196  151.802   12.984  151.802   12.984 0.000000 0.000000 
1 1 1   -8    0    3 o  452.770   11.777  266.567   13.792  266.567   13.792  266.567   13.792  452.770   11.777  452.770   11.777 0.000000 0.000000 
1 1 1   -8    0    4 o  611.327   12.826  485.760   20.290  485.760   20.290  485.760   20.290  611.327   12.826  611.327   12.826 -0.000000 0.000000 
1 1 1   -8    0    5 o  978.911   16.098  1246.32   40.795  1246.32   40.795  1246.32   40.795  978.911   16.098  978.911   16.098 -0.000000 0.000000 
1 1 1   -8    0    6 o  762.131   14.131  754.855   27.876  754.855   27.876  754.855   27.876  762.131   14.131  762.131   14.131 -0.000000 0.000000 
1 1 1   -8    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8    0    8 o  550.674   12.709  393.982   18.107  393.982   18.107  393.982   18.107  550.674   12.709  550.674   12.709 -0.000000 0.000000 
1 1 1   -8    0    9 o  147.109   17.460   29.260   6.4064   29.260   6.4064   29.260   6.4064  147.109   17.460  147.109   17.460 -0.000000 0.000000 
1 1 1   -8    0   10 o   39.738   24.700   1.3288   5.1155   1.3288   5.1155   1.3288   5.1155   39.738   24.700   39.738   24.700 -0.000000 0.000000 
1 1 1   -8    0   11 o  762.939   14.409  755.677   28.453  755.677   28.453  755.677   28.453  762.939   14.409  762.939   14.409 0.000000 0.000000 
1 1 1   -8    0   12 o   40.121   25.287   0.9112   5.5609   0.9112   5.5609   0.9112   5.5609   40.121   25.287   40.121   25.287 -0.000000 0.000000 
1 1 1   -8    0   13 o  129.885   23.164   23.877   7.0547   23.877   7.0547   23.877   7.0547  129.885   23.164  129.885   23.164 0.000000 0.000000 
1 1 1   -8    0   14 o  943.090   16.185  1154.55   39.512  1154.55   39.512  1154.55   39.512  943.090   16.185  943.090   16.185 0.000000 0.000000 
1 1 1   -8    0   15 o  220.650   18.113   64.428   10.192   64.428   10.192   64.428   10.192  220.650   18.113  220.650   18.113 0.000000 0.000000 
1 1 1   -8    0   16 o  1078.40   17.811  1510.04   49.721  1510.04   49.721  1510.04   49.721  1078.40   17.811  1078.40   17.811 0.000000 0.000000 
1 1 1   -8    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8    0   18 o  517.620   13.973  348.197   18.704  348.197   18.704  348.197   18.704  517.620   13.973  517.620   13.973 -0.000000 0.000000 
1 1 1   -8    0   19 o  296.835   16.038  115.316   12.249  115.316   12.249  115.316   12.249  296.835   16.038  296.835   16.038 -0.000000 0.000000 
1 1 1   -8    0   20 o  578.491   14.297  434.903   21.394  434.903   21.394  434.903   21.394  578.491   14.297  578.491   14.297 -0.000000 0.000000 
1 1 1   -8    0   21 o  398.589   15.314  207.089   15.758  207.089   15.758  207.089   15.758  398.589   15.314  398.589   15.314 -0.000000 0.000000 
1 1 1   -8    0   22 o  450.191   20.172  265.100   23.416  265.100   23.416  265.100   23.416  450.191   20.172  450.191   20.172 -0.000000 0.000000 
1 1 1   -8    0   23 o  465.626   19.696  283.500   23.659  283.500   23.659  283.500   23.659  465.626   19.696  465.626   19.696 0.000000 0.000000 
1 1 1   -8    0   24 o  192.356   26.019   50.858   12.296   50.858   12.296   50.858   12.296  192.356   26.019  192.356   26.019 -0.000000 0.000000 
1 1 1   -8    0   25 o   90.700   41.356   15.801   10.552   15.801   10.552   15.801   10.552   90.700   41.356   90.700   41.356 0.000000 0.000000 
1 1 1   -8    0   26 o  725.547   21.437  689.100   40.209  689.100   40.209  689.100   40.209  725.547   21.437  725.547   21.437 -0.000000 0.000000 
1 1 1   -8    0   27 o   74.175   40.111   10.539   10.764   10.539   10.764   10.539   10.764   74.175   40.111   74.175   40.111 -0.000000 0.000000 
1 1 1   -8    0   28 o  347.450   16.570  158.541   14.836  158.541   14.836  158.541   14.836  347.450   16.570  347.450   16.570 -0.000000 0.000000 
1 1 1   -8    0   29 o   45.130   30.192  -3.0260   9.7666  -3.0260   9.7666  -3.0260   9.7666   45.130   30.192   45.130   30.192 -0.000000 0.000000 
1 1 1   -8    0   30 o  107.737   41.039   21.250   10.781   21.250   10.781   21.250   10.781  107.737   41.039  107.737   41.039 -0.000000 0.000000 
1 1 1   -8    0   31 o   41.868   28.354  -3.9939   9.1222  -3.9939   9.1222  -3.9939   9.1222   41.868   28.354   41.868   28.354 0.000000 0.000000 
1 1 1   -8    0   32 o  170.357   27.329   41.595   11.129   41.595   11.129   41.595   11.129  170.357   27.329  170.357   27.329 -0.000000 0.000000 
1 1 1   -8    0   33 o   47.276   31.320  -1.5241   10.083  -1.5241   10.083  -1.5241   10.083   47.276   31.320   47.276   31.320 0.000000 0.000000 
1 1 1   -8    0   34 o   53.380   33.275   3.3470   9.3505   3.3470   9.3505   3.3470   9.3505   53.380   33.275   53.380   33.275 0.000000 0.000000 
1 1 1   -8    0   35 o  152.757   40.690   38.990   13.912   38.990   13.912   38.990   13.912  152.757   40.690  152.757   40.690 0.000000 0.000000 
1 1 1   -8    0   36 o  257.202   32.149   97.360   20.513   97.360   20.513   97.360   20.513  257.202   32.149  257.202   32.149 -0.000000 0.000000 
1 1 1   -8    0   37 o   86.152   41.064   16.441   10.483   16.441   10.483   16.441   10.483   86.152   41.064   86.152   41.064 0.000000 0.000000 
1 1 1   -8    0   38 o   35.106   24.836  -9.6851   9.2624  -9.6851   9.2624  -9.6851   9.2624   35.106   24.836   35.106   24.836 0.000000 0.000000 
1 1 1   -8    0   39 o   35.486   25.147 -10.0906   9.6288 -10.0906   9.6288 -10.0906   9.6288   35.486   25.147   35.486   25.147 0.000000 0.000000 
1 1 1   -8    0   40 o   44.156   29.626  -1.0384   9.5231  -1.0384   9.5231  -1.0384   9.5231   44.156   29.626   44.156   29.626 0.000000 0.000000 
1 1 1   -8    0   41 o  227.622   22.744   75.182   13.103   75.182   13.103   75.182   13.103  227.622   22.744  227.622   22.744 0.000000 0.000000 
1 1 1   -8    0   42 o   34.126   24.682 -16.9611   11.456 -16.9611   11.456 -16.9611   11.456   34.126   24.682   34.126   24.682 -0.000000 0.000000 
1 1 1   -8    0   43 o   57.179   36.664   7.5759   12.296   7.5759   12.296   7.5759   12.296   57.179   36.664   57.179   36.664 -0.000000 0.000000 
1 1 1   -8    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8    0   45 o   64.312   39.394   14.002   12.567   14.002   12.567   14.002   12.567   64.312   39.394   64.312   39.394 -0.000000 0.000000 
1 1 1   -8    0   46 o  125.462   43.144   37.535   12.612   37.535   12.612   37.535   12.612  125.462   43.144  125.462   43.144 -0.000000 0.000000 
1 1 1   -8    0   47 o   50.005   33.132   7.1814   11.290   7.1814   11.290   7.1814   11.290   50.005   33.132   50.005   33.132 -0.000000 0.000000 
1 1 1   -8    1    1 o  434.004   8.1204  244.397   9.1289  244.325   12.907  244.469   12.913  433.547   11.493  433.674   11.495 -0.1277161 16.25547 
1 1 1   -8    1    2 f  295.630   7.9467  113.387   6.0853  117.019   8.6878  109.889   8.5263  300.075   11.177  290.776   11.320 9.298706 15.90830 
1 1 1   -8    1    3 o  356.233   8.0506  164.644   7.4287  166.979   10.541  162.339   10.471  358.442   11.353  353.417   11.438 5.024628 16.11575 
1 1 1   -8    1    4 o  471.162   8.4570  288.050   10.321  290.953   14.640  285.182   14.554  473.092   11.946  468.370   11.996 4.722382 16.92982 
1 1 1   -8    1    5 o  376.843   8.3358  184.240   8.1369  176.011   11.375  192.863   11.644  368.002   11.933  385.245   11.668 -17.24316 16.69000 
1 1 1   -8    1    6 o  487.766   9.9406  308.825   12.560  310.300   21.417  308.052   15.506  487.893   16.947  486.867   12.295 1.025574 20.93684 
1 1 1   -8    1    7 o  205.544   19.935   55.660   10.480   55.660   10.480   0.0000   0.0000  205.544   19.935  ?   ?  0.000000 19.93478 
1 1 1   -8    1    8 o  118.580   12.667   18.471   3.8306   22.193   5.2948   14.384   5.5486  129.613   16.119  103.069   21.479 26.54356 26.85474 
1 1 1   -8    1    9 o  494.433   8.9096  317.013   11.411  315.676   16.166  318.341   16.108  493.076   12.658  495.163   12.559 -2.086639 17.83083 
1 1 1   -8    1   10 o  114.754   14.465   17.373   4.2040   19.402   5.9024   15.283   5.9893  120.560   19.572  106.286   22.458 14.27335 29.78948 
1 1 1   -8    1   11 o  295.272   9.3315  113.035   7.1371  113.432   10.108  112.642   10.078  295.635   13.200  294.603   13.207 1.031311 18.67271 
1 1 1   -8    1   12 o  336.483   9.1694  146.771   7.9920  151.198   11.439  142.550   11.170  341.366   12.937  331.457   13.010 9.909363 18.34736 
1 1 1   -8    1   13 o  524.679   9.2956  356.852   12.633  359.832   17.950  353.927   17.784  526.633   13.158  522.295   13.145 4.338379 18.59941 
1 1 1   -8    1   14 o  468.832   13.284  285.172   16.132   0.0000   0.0000  285.172   16.132  ?   ?   468.832   13.284 0.000000 13.28394 
1 1 1   -8    1   15 o  422.455   9.9672  231.367   10.907  237.874   15.488  224.966   15.362  428.154   13.965  416.359   14.244 11.79468 19.94787 
1 1 1   -8    1   16 o  867.412   11.371  975.736   25.549  972.947   36.100  978.536   36.164  865.609   16.100  868.094   16.083 -2.485107 22.75674 
1 1 1   -8    1   17 f  118.125   39.138   17.500   13.955   17.500   13.955   0.0000   0.0000  118.125   39.138  ?   ?  0.000000 39.13765 
1 1 1   -8    1   18 o  415.926   9.9523  224.309   10.722  236.857   15.463  212.686   14.881  427.166   13.975  404.770   14.193 22.39609 19.91836 
1 1 1   -8    1   19 o  901.333   11.403  1053.90   26.624  1049.43   37.647  1058.37   37.656  898.681   16.172  902.514   16.108 -3.833130 22.82540 
1 1 1   -8    1   20 o  541.831   9.9367  380.749   13.946  384.035   20.180  377.744   19.296  543.766   14.327  539.348   13.812 4.418152 19.90031 
1 1 1   -8    1   21 o  442.231   11.568  253.806   13.251  269.500   22.747  245.745   16.302  454.875   19.306  434.902   14.471 19.97235 24.12731 
1 1 1   -8    1   22 o  678.216   12.018  597.197   21.114  624.900   37.164  583.993   25.656  692.102   20.730  670.258   14.778 21.84375 25.45805 
1 1 1   -8    1   23 o  556.805   11.853  402.612   17.096  409.642   21.246  389.700   28.794  561.256   14.614  546.387   20.345 14.86871 25.04909 
1 1 1   -8    1   24 o  647.585   12.083  544.858   20.269  542.659   25.077  549.000   34.421  645.730   14.993  648.129   20.503 -2.399536 25.39964 
1 1 1   -8    1   25 o  204.119   16.059   54.639   8.4223   52.922   11.768   56.441   12.059  199.516   23.204  206.177   22.970 -6.661652 32.65097 
1 1 1   -8    1   26 o  394.678   15.260  203.123   15.600  195.400   21.754  211.300   22.384  385.128   21.897  400.612   21.651 -15.48410 30.79350 
1 1 1   -8    1   27 o  304.075   14.677  120.655   11.560  115.900   22.535  122.354   13.467  293.136   30.106  305.337   17.096 -12.20108 34.62109 
1 1 1   -8    1   28 o  291.742   12.504  110.968   9.4494  115.656   13.586  106.574   13.152  296.332   17.781  284.373   17.947 11.95847 25.26372 
1 1 1   -8    1   29 o   82.407   27.811   8.6456   7.0427   6.7114   10.717   10.116   9.3439   85.548   33.415   90.691   31.973 -5.143867 46.24774 
1 1 1   -8    1   30 o  202.235   15.909   54.088   8.2667   50.226   11.734   57.895   11.649  192.281   24.087  207.378   22.022 -15.09691 32.63680 
1 1 1   -8    1   31 o   52.963   23.372  -1.4950   6.2730   2.8280   8.7185  -6.1350   9.0325   71.123   29.304   57.151   26.336 13.97139 39.39994 
1 1 1   -8    1   32 o  284.390   12.689  106.042   9.3473  105.414   13.121  106.688   13.319  281.239   18.107  282.866   18.276 -1.627045 25.72716 
1 1 1   -8    1   33 o  164.458   18.574   36.491   7.7739   35.921   10.912   37.079   11.078  159.589   27.382  162.214   27.337 -2.624405 38.69230 
1 1 1   -8    1   34 o  139.222   19.482   26.491   6.8332   23.240   10.261   29.082   9.1597  125.552   31.581  143.481   25.584 -17.92847 40.64319 
1 1 1   -8    1   35 o  162.649   21.492   36.596   8.8331   43.880   11.343   25.370   14.081  176.125   25.613  127.283   39.013 48.84288 46.66957 
1 1 1   -8    1   36 f  177.139   21.216   43.553   9.5410   38.890   18.093   45.349   11.229  151.858   43.665  178.610   24.953 -26.75148 50.29191 
1 1 1   -8    1   37 o   74.898   27.335   7.2063   6.8968 -10.1342   10.267   21.463   9.3098   55.302   26.293  118.699   30.205 -63.39720 40.04523 
1 1 1   -8    1   38 o   65.897   26.887   3.6558   7.2502   14.180   9.9198  -8.4125   10.623   96.531   33.004   57.903   27.293 38.62766 42.82737 
1 1 1   -8    1   39 o  247.562   14.373   82.619   9.1771   80.963   12.658   84.454   13.324  240.247   20.538  244.773   21.225 -4.525894 29.53484 
1 1 1   -8    1   40 o  159.167   21.012   36.186   8.4513   40.486   11.706   31.504   12.214  162.211   28.920  138.022   34.311 24.18817 44.87339 
1 1 1   -8    1   41 o  232.658   16.028   74.508   9.6001   74.768   13.414   74.234   13.746  225.955   23.250  224.275   24.035 1.680267 33.44042 
1 1 1   -8    1   42 o   48.158   22.449  -4.2178   6.8551  -2.3345   9.4741  -6.2871   9.9312   59.489   27.250   56.007   26.397 3.482609 37.93870 
1 1 1   -8    1   43 o   55.845   25.002  -0.3091   7.4456   3.2688   10.100  -4.5689   11.020   68.367   29.928   60.094   28.159 8.272682 41.09315 
1 1 1   -8    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8    1   45 o  171.295   21.944   44.858   9.5130   47.122   13.952   42.891   13.005  158.252   34.968  152.335   33.837 5.917557 48.65889 
1 1 1   -8    1   46 o   70.640   29.255   7.3524   8.7511  -5.1501   11.723   23.091   13.152   58.592   27.923  100.974   37.590 -42.38240 46.82691 
1 1 1   -8    1   47 f   69.826   29.434   7.5405   9.0955   10.418   13.233   4.9634   12.522   76.557   33.857   69.140   31.541 7.416740 46.27193 
1 1 1   -8    2    1 o  358.937   7.9757  167.149   7.4155  169.850   10.520  164.482   10.454  361.521   11.234  355.750   11.345 5.770538 15.96589 
1 1 1   -8    2    2 o  336.647   7.9930  147.033   6.9700  153.477   9.9540  140.834   9.7630  343.663   11.182  329.177   11.450 14.48593 16.00422 
1 1 1   -8    2    3 o  523.636   8.6293  355.820   11.705  358.736   16.677  352.991   16.431  525.253   12.258  521.044   12.174 4.209229 17.27601 
1 1 1   -8    2    4 o  361.118   8.2256  169.185   7.6943  170.951   10.896  167.428   10.867  362.692   11.598  358.926   11.688 3.766907 16.46579 
1 1 1   -8    2    5 o  287.568   8.4411  107.283   6.2876  105.275   8.9341  109.254   8.8507  284.609   12.119  289.966   11.784 -5.356598 16.90300 
1 1 1   -8    2    6 o  450.029   11.906  263.112   13.879  269.300   19.531  256.800   19.726  454.632   16.585  443.862   17.157 10.76935 23.86301 
1 1 1   -8    2    7 o  315.124   12.647  129.016   10.323  131.100   15.360  127.300   13.941  316.510   18.820  312.123   17.311 4.386902 25.57092 
1 1 1   -8    2    8 o  716.499   9.8391  666.026   18.261  671.729   25.960  660.440   25.692  718.945   13.940  712.883   13.913 6.061951 19.69504 
1 1 1   -8    2    9 o  533.727   9.0528  369.401   12.516  366.520   17.650  372.314   17.750  531.310   12.825  535.496   12.796 -4.186523 18.11689 
1 1 1   -8    2   10 o  234.318   9.6273   71.198   5.8433   69.801   8.2797   72.583   8.2478  231.444   13.875  236.060   13.545 -4.615891 19.39034 
1 1 1   -8    2   11 o  261.860   9.5263   88.904   6.4616   91.951   9.1620   85.888   9.1144  266.177   13.288  256.867   13.748 9.309540 19.12052 
1 1 1   -8    2   12 o  188.943   10.997   46.453   5.3591   44.771   7.6671   48.059   7.4936  184.968   16.165  191.796   15.208 -6.828751 22.19425 
1 1 1   -8    2   13 o  591.207   9.5120  453.103   14.567  450.564   20.590  455.647   20.611  589.275   13.489  592.595   13.427 -3.320251 19.03299 
1 1 1   -8    2   14 o  697.952   10.120  631.551   18.296  625.319   25.803  637.852   25.947  694.147   14.351  701.075   14.288 -6.927551 20.25045 
1 1 1   -8    2   15 o  324.871   15.216  137.002   12.804   0.0000   0.0000  137.002   12.804  ?   ?   324.871   15.216 0.000000 15.21551 
1 1 1   -8    2   16 o  842.557   12.863  920.967   28.074  904.100   47.784  929.858   34.693  833.444   22.134  846.252   15.827 -12.80762 27.21003 
1 1 1   -8    2   17 o  525.518   20.537  359.300   27.956  359.300   27.956   0.0000   0.0000  525.518   20.537  ?   ?  0.000000 20.53692 
1 1 1   -8    2   18 o  193.211   13.861   48.704   6.8907   42.552   9.8668   54.562   9.6276  179.491   21.659  204.027   18.416 -24.53560 28.43008 
1 1 1   -8    2   19 o  534.789   10.001  370.883   13.854  353.906   19.469  388.296   19.718  522.052   14.397  546.875   13.919 -24.82385 20.02561 
1 1 1   -8    2   20 o  757.645   12.183  744.989   23.909  719.600   40.270  758.811   29.713  743.129   20.920  764.233   15.009 -21.10376 25.74772 
1 1 1   -8    2   21 o  210.060   15.767   57.687   8.5165   59.800   14.095   56.472   10.688  212.203   26.199  207.202   20.169 5.001175 33.06352 
1 1 1   -8    2   22 o  336.499   11.249  146.971   9.8046  131.940   13.836  162.132   13.896  317.958   16.860  353.113   15.192 -35.15485 22.69467 
1 1 1   -8    2   23 o  369.660   11.238  177.412   10.760  173.419   15.311  181.309   15.126  364.998   16.194  373.271   15.644 -8.273346 22.51639 
1 1 1   -8    2   24 o  414.427   12.590  223.216   13.515  229.715   16.958  211.900   22.376  420.030   15.587  401.879   21.574 18.15109 26.61515 
1 1 1   -8    2   25 o  752.730   12.549  736.768   24.468  743.096   30.434  725.200   41.148  755.149   15.559  743.998   21.351 11.15118 26.41871 
1 1 1   -8    2   26 o  183.662   28.080   45.660   12.934   45.660   12.934   0.0000   0.0000  183.662   28.080  ?   ?  0.000000 28.08019 
1 1 1   -8    2   27 o  458.203   12.683  273.478   15.054  265.200   28.085  276.815   17.831  447.183   24.338  460.478   14.949 -13.29535 28.56236 
1 1 1   -8    2   28 o  116.201   25.921   18.666   7.6038   8.6107   10.850   28.372   10.659   90.385   34.045  142.850   29.772 -52.46461 45.22653 
1 1 1   -8    2   29 o   54.112   23.804  -1.4657   6.4586  -2.5577   10.109  -0.7127   8.3954   66.723   29.546   63.526   27.555 3.197090 40.40083 
1 1 1   -8    2   30 o  140.353   21.310   26.754   7.5041   34.399   10.830   19.696   10.407  157.384   27.571  117.655   32.877 39.72913 42.90722 
1 1 1   -8    2   31 o  173.130   16.601   39.899   7.3534   42.165   10.271   37.516   10.532  175.888   23.104  164.877   25.482 11.01146 34.39662 
1 1 1   -8    2   32 o  288.380   17.693  110.704   13.153  110.704   13.153   0.0000   0.0000  288.380   17.693  ?   ?  0.000000 17.69346 
1 1 1   -8    2   33 o  304.150   12.230  121.387   9.6356  116.328   13.625  126.449   13.628  295.065   17.912  308.063   17.147 -12.99777 24.79587 
1 1 1   -8    2   34 o  354.048   11.299  164.436   10.362  163.764   14.943  165.058   14.381  350.842   16.442  352.614   15.745 -1.772125 22.76526 
1 1 1   -8    2   35 o  146.649   26.054   30.737   9.5345   56.390   13.059   1.4480   13.954  199.772   25.841   81.084   35.345 118.6884 43.78367 
1 1 1   -8    2   36 o   77.583   28.628   7.5500   7.5952  -0.1420   16.429   9.6409   8.5655   83.509   37.280   84.807   30.536 -1.297600 48.18954 
1 1 1   -8    2   37 f  128.346   24.116   23.781   7.7232   24.889   10.822   22.631   11.026  126.393   32.778  119.870   33.962 6.523041 47.19932 
1 1 1   -8    2   38 o  243.185   14.317   79.477   8.9789   91.708   13.079   68.574   12.349  257.157   19.787  220.555   21.904 36.60182 29.51823 
1 1 1   -8    2   39 o   97.364   28.462   14.560   7.6307   20.589   10.670   8.2499   10.917  112.576   33.847   82.904   33.291 29.67181 47.47549 
1 1 1   -8    2   40 o  152.561   20.174   33.066   7.7767   34.541   10.512   31.283   11.558  150.185   28.054  138.886   32.673 11.29915 43.06409 
1 1 1   -8    2   41 o   71.964   28.299   6.4109   7.7292   7.9927   11.467   5.0941   10.463   81.079   33.527   74.283   31.454 6.796043 45.97178 
1 1 1   -8    2   42 o   53.488   24.932  -4.4819   8.4543  -6.2819   11.896  -2.6451   12.017   61.304   28.892   65.494   30.250 -4.190395 41.83094 
1 1 1   -8    2   43 o   71.772   29.465   6.4335   8.7751 -13.2301   12.282   26.936   12.541   55.394   26.936  118.324   36.911 -62.92972 45.69437 
1 1 1   -8    2   44 f  117.474   48.745   41.560   24.362   41.560   24.362   0.0000   0.0000  117.474   48.745  ?   ?  0.000000 48.74485 
1 1 1   -8    2   45 f   77.590   29.958   10.017   8.5368   12.146   12.400   8.0980   11.770   82.890   34.617   75.948   32.785 6.941414 47.67764 
1 1 1   -8    2   46 o   96.109   31.665   17.780   9.1400   20.066   12.990   15.538   12.863   94.922   36.869   86.688   35.641 8.233681 51.27993 
1 1 1   -8    2   47 o   84.262   30.896   13.986   8.8255   17.330   11.969  10.0000   13.066   87.972   35.016   75.761   33.567 12.21120 48.50648 
1 1 1   -8    3    1 o  675.187   9.3373  591.771   16.330  583.431   22.930  600.356   23.263  669.651   13.219  679.294   13.221 -9.643005 18.69581 
1 1 1   -8    3    2 o  657.764   9.2798  561.594   15.811  557.960   22.318  565.255   22.402  654.901   13.156  659.176   13.120 -4.275513 18.58022 
1 1 1   -8    3    3 f  246.470   8.2360   78.812   5.2581   79.520   7.5055   78.129   7.3686  247.359   11.714  245.193   11.602 2.165298 16.48683 
1 1 1   -8    3    4 o  403.242   8.3722  210.949   8.7449  210.325   12.481  211.551   12.256  402.293   11.977  403.493   11.727 -1.199890 16.76213 
1 1 1   -8    3    5 o  568.205   12.398  419.590   18.248  415.700   25.613  423.600   26.003  564.599   17.513  569.916   17.615 -5.317017 24.83928 
1 1 1   -8    3    6 o  334.636   8.4003  145.241   7.2815  142.748   10.354  147.681   10.242  331.500   12.058  337.205   11.726 -5.705627 16.81924 
1 1 1   -8    3    7 o  666.181   13.773  576.822   23.767  586.100   34.244  568.200   33.013  670.273   19.724  660.058   19.309 10.21545 27.60150 
1 1 1   -8    3    8 o  431.782   8.7126  241.764   9.7446  238.977   13.894  244.463   13.670  429.001   12.503  433.927   12.162 -4.926208 17.44281 
1 1 1   -8    3    9 o  594.132   9.2740  457.746   14.272  462.556   20.398  453.132   19.977  596.867   13.193  590.771   13.055 6.096252 18.56050 
1 1 1   -8    3   10 o  311.609   9.0468  125.889   7.3022  130.918   10.536  121.241   10.130  317.606   12.807  305.644   12.795 11.96234 18.10296 
1 1 1   -8    3   11 o  422.960   8.9398  231.907   9.7944  230.039   13.955  233.720   13.750  421.053   12.795  424.426   12.507 -3.373138 17.89242 
1 1 1   -8    3   12 o  386.336   9.0243  193.474   9.0308  191.096   12.867  195.783   12.678  383.780   12.943  388.476   12.599 -4.695709 18.06279 
1 1 1   -8    3   13 o  218.144   10.840   61.705   6.1254   63.498   8.7920   60.013   8.5388  220.618   15.483  214.449   15.476 6.168961 21.89116 
1 1 1   -8    3   14 f  735.917   10.377  702.166   19.782  718.995   28.524  686.570   27.458  744.277   14.795  727.323   14.575 16.95319 20.76827 
1 1 1   -8    3   15 o  430.596   10.287  240.389   11.473  244.795   16.468  236.233   15.994  434.291   14.639  426.639   14.472 7.652466 20.58542 
1 1 1   -8    3   16 o  1087.87   17.787  1537.72   50.121  1524.00   70.195  1552.00   71.588  1081.28   25.062  1091.09   25.330 -9.812744 35.63293 
1 1 1   -8    3   17 o  443.029   14.703  254.809   16.872  258.500   25.178  251.800   22.731  445.594   21.814  439.969   19.946 5.625183 29.55807 
1 1 1   -8    3   18 o  639.237   10.214  529.886   16.912  535.588   24.467  524.671   23.402  642.240   14.708  635.715   14.211 6.524719 20.45181 
1 1 1   -8    3   19 o  221.657   13.291   64.006   7.5959   68.750   12.599   61.297   9.5209  228.718   21.519  216.471   17.119 12.24748 27.49775 
1 1 1   -8    3   20 o  725.399   12.009  682.914   22.565  683.300   38.562  682.714   27.827  724.172   20.557  724.904   14.820 -0.7319336 25.34220 
1 1 1   -8    3   21 o  190.019   14.212   47.173   6.9447   44.353   9.6745   50.171   9.9751  183.287   20.742  195.201   20.011 -11.91318 28.82156 
1 1 1   -8    3   22 o  705.573   15.025  647.330   27.460   0.0000   0.0000  647.330   27.460  ?   ?   705.573   15.025 0.000000 15.02464 
1 1 1   -8    3   23 o  254.665   12.903   84.487   8.4838   76.994   11.756   92.630   12.255  242.246   18.885  266.002   17.890 -23.75581 26.01318 
1 1 1   -8    3   24 o  305.026   11.744  120.876   9.2791  133.115   13.837  110.872   12.509  319.148   16.796  291.211   16.652 27.93723 23.65179 
1 1 1   -8    3   25 o  263.848   15.466   91.030   10.524   76.004   12.845  121.700   18.352  240.014   20.869  303.486   23.529 -63.47247 31.45089 
1 1 1   -8    3   26 o  320.848   22.386  136.000   18.488  136.000   18.488   0.0000   0.0000  320.848   22.386  ?   ?  0.000000 22.38591 
1 1 1   -8    3   27 o   98.166   29.768   13.009   8.2275   12.254   10.406   14.270   13.438   98.688   33.803  108.050   38.316 -9.361717 51.09543 
1 1 1   -8    3   28 o  188.746   17.091   47.107   8.2655   54.778   11.853   39.845   11.532  202.061   23.059  170.778   26.964 31.28246 35.47924 
1 1 1   -8    3   29 o  246.508   13.601   79.709   8.6513   86.031   12.777   74.357   11.756  254.463   19.534  236.523   19.358 17.94028 27.50095 
1 1 1   -8    3   30 o  133.852   21.373   24.399   7.1611   24.477   10.056   24.319   10.201  131.409   30.178  130.851   30.635 0.5574951 43.00297 
1 1 1   -8    3   31 o  150.571   17.428   30.361   6.6716   26.888   9.1938   34.225   9.6964  138.655   26.565  157.630   24.547 -18.97490 36.16978 
1 1 1   -8    3   32 o  220.879   14.511   64.500   8.2560   64.315   11.484   64.698   11.877  218.362   20.546  218.726   21.230 -0.3637238 29.54411 
1 1 1   -8    3   33 o   91.770   25.854   11.905   6.4086   18.245   9.2945   6.1585   8.8481  112.061   30.983   78.195   30.413 33.86649 43.41504 
1 1 1   -8    3   34 o  100.203   25.079   14.353   6.4940   18.727   9.4677   10.467   8.9243  112.765   31.304   88.754   31.252 24.01001 44.23356 
1 1 1   -8    3   35 o  116.808   37.939   20.990   13.138   20.990   13.138   0.0000   0.0000  116.808   37.939  ?   ?  0.000000 37.93920 
1 1 1   -8    3   36 o  259.464   13.639   89.631   9.1346   96.751   12.899   82.468   12.938  266.390   18.814  244.631   20.609 21.75900 27.90546 
1 1 1   -8    3   37 o   63.720   25.755   3.4473   6.5797   15.543   8.7188 -12.5551   10.028  101.078   30.642   52.068   25.080 49.00955 39.59690 
1 1 1   -8    3   38 o   54.890   24.007  -0.1733   6.4852  -4.0756   9.4570   3.2910   8.9103   59.185   27.153   69.510   29.207 -10.32498 39.87920 
1 1 1   -8    3   39 o  125.112   25.147   23.241   7.8669   35.820   11.068   10.395   11.184  153.165   28.957   87.500   34.148 65.66542 44.77265 
1 1 1   -8    3   40 o  192.426   16.881   51.115   8.3292   46.772   12.066   55.068   11.512  175.652   27.415  194.579   23.304 -18.92694 35.98112 
1 1 1   -8    3   41 o  171.302   19.514   41.775   8.5044   35.082   11.511   49.819   12.619  147.061   31.185  179.217   28.108 -32.15642 41.98299 
1 1 1   -8    3   42 o   72.516   27.378   7.4032   7.0267   6.6651   9.6604   8.2325   10.239   74.535   30.792   78.423   31.970 -3.887550 44.38727 
1 1 1   -8    3   43 o   55.296   25.268  -1.8100   8.0810   5.5292   11.051 -10.2456   11.847   73.392   31.724   56.581   27.255 16.81128 41.82366 
1 1 1   -8    3   44 o   84.705   37.079   11.580   15.501   11.580   15.501   0.0000   0.0000   84.705   37.079  ?   ?  0.000000 37.07914 
1 1 1   -8    3   45 o   54.393   25.081  -1.8880   8.2107   3.1849   12.075  -6.2507   11.198   69.204   31.335   57.107   27.236 12.09758 41.51747 
1 1 1   -8    3   46 o  149.205   24.985   36.355   9.3147   34.023   13.457   38.501   12.906  124.257   38.149  137.953   35.805 -13.69624 52.31970 
1 1 1   -8    3   47 o  110.691   29.932   23.141   8.7883   42.002   12.612   5.3385   12.253  144.420   34.235   68.951   31.355 75.46869 46.42400 
1 1 1   -8    4    1 o  248.675   9.6602   80.272   6.2226   83.540   11.883   79.037   7.3040  252.305   18.308  246.644   11.432 5.660858 21.58391 
1 1 1   -8    4    2 o  181.861   8.7772   42.914   4.1347   43.445   5.8686   42.391   5.8264  182.387   12.497  180.143   12.565 2.244339 17.72179 
1 1 1   -8    4    3 o  314.335   9.1998  128.221   7.4907  120.800   12.369  132.519   9.4130  304.125   15.756  319.393   11.378 -15.26840 19.43432 
1 1 1   -8    4    4 o  439.671   11.512  251.101   13.111  244.500   18.340  258.000   18.749  433.210   16.344  445.022   16.265 -11.81171 23.05792 
1 1 1   -8    4    5 o  148.983   10.339   28.948   3.9653   32.428   5.6857   25.652   5.5331  157.289   14.105  139.535   15.574 17.75389 21.01220 
1 1 1   -8    4    6 f  257.524   8.7830   86.019   5.8588   93.371   8.5135   79.406   8.0750  268.115   12.259  246.908   12.668 21.20726 17.62840 
1 1 1   -8    4    7 o  264.922   14.241   91.480   9.7369   85.480   13.975   97.140   13.574  255.024   21.352  272.306   19.370 -17.28192 28.82909 
1 1 1   -8    4    8 o  300.198   8.9192  116.859   6.9356  115.037   9.9254  118.598   9.6954  297.654   12.873  302.254   12.384 -4.599487 17.86258 
1 1 1   -8    4    9 o  182.169   10.514   43.188   4.9402   40.879   6.9481   45.547   7.0255  176.722   15.330  186.690   14.645 -9.968384 21.20161 
1 1 1   -8    4   10 o  573.622   9.2980  426.603   13.815  428.819   19.737  424.474   19.345  574.800   13.256  571.899   13.059 2.901184 18.60776 
1 1 1   -8    4   11 o  164.809   11.565   35.403   4.9058   34.558   7.0301   36.205   6.8493  162.214   16.983  166.185   16.114 -3.970749 23.41075 
1 1 1   -8    4   12 o  376.764   9.1476  184.007   8.9274  180.989   12.686  186.969   12.565  373.490   13.113  379.627   12.778 -6.137634 18.30925 
1 1 1   -8    4   13 o  580.242   9.5860  436.453   14.408  429.882   20.376  443.023   20.375  575.584   13.667  584.332   13.462 -8.747681 19.18311 
1 1 1   -8    4   14 o  138.574   16.172   25.272   5.6958   35.226   8.0272   15.178   8.0832  163.490   19.329  106.076   28.715 57.41496 34.61468 
1 1 1   -8    4   15 o  692.172   10.612  621.212   19.026  623.659   27.303  618.903   26.527  693.121   15.207  690.513   14.831 2.608215 21.24193 
1 1 1   -8    4   16 o  220.970   24.677   64.420   13.883   0.0000   0.0000   64.420   13.883  ?   ?   220.970   24.677 0.000000 24.67674 
1 1 1   -8    4   17 o  382.078   16.024  189.620   15.859  168.500   24.079  205.800   21.076  358.386   26.118  397.151   20.558 -38.76505 33.23777 
1 1 1   -8    4   18 o  349.299   11.661  158.285   10.551  163.400   17.550  155.390   13.204  353.878   19.218  345.918   14.736 7.959900 24.21746 
1 1 1   -8    4   19 o  142.612   19.752   26.975   7.1008   28.030   10.936   26.206   9.3368  143.588   30.352  139.278   26.854 4.310516 40.52593 
1 1 1   -8    4   20 o  629.819   10.370  514.563   16.919  514.250   24.142  514.864   23.717  629.112   14.815  629.524   14.544 -0.4120483 20.76087 
1 1 1   -8    4   21 o  303.454   11.700  119.529   9.1969  117.429   13.091  121.576   12.924  299.942   16.918  305.279   16.403 -5.337036 23.56469 
1 1 1   -8    4   22 o  345.455   11.111  154.910   9.9423  143.214   14.046  166.654   14.075  331.725   16.347  357.963   15.180 -26.23752 22.30779 
1 1 1   -8    4   23 o  234.526   13.748   71.754   8.3151   74.533   12.160   69.314   11.396  238.118   19.897  229.667   19.336 8.451263 27.74444 
1 1 1   -8    4   24 o  236.458   14.044   73.001   8.5631   55.788   11.959   91.114   12.267  205.067   22.905  263.627   18.073 -58.56015 29.17656 
1 1 1   -8    4   25 o  295.727   12.466  113.743   9.5491  118.235   13.850  109.674   13.183  300.326   17.885  289.250   17.680 11.07663 25.14887 
1 1 1   -8    4   26 o  295.394   18.683  114.711   14.222  114.711   14.222   0.0000   0.0000  295.394   18.683  ?   ?  0.000000 18.68282 
1 1 1   -8    4   27 o  372.588   13.118  180.985   12.660  186.819   15.641  169.900   21.559  377.946   15.976  357.728   23.395 20.21771 28.32976 
1 1 1   -8    4   28 o  187.693   18.780   46.811   9.0078   53.539   11.048   33.470   15.557  200.059   21.666  152.584   39.163 47.47459 44.75651 
1 1 1   -8    4   29 o  130.486   21.775   23.184   7.1004   30.465   9.8579   15.334   10.236  148.502   26.604  105.708   33.402 42.79363 42.70199 
1 1 1   -8    4   30 o   99.927   24.909   13.953   6.4249   18.706   8.7163   8.2974   9.5075  114.932   29.215   85.829   31.959 29.10352 43.29976 
1 1 1   -8    4   31 o   78.365   25.622   8.1186   5.9884   11.872   8.4886   4.4003   8.4492   93.501   30.502   73.630   29.386 19.87112 42.35432 
1 1 1   -8    4   32 f  114.270   23.292   18.226   6.6604   19.040   8.9737   17.227   9.9386  115.039   29.855  109.452   32.611 5.587143 44.21352 
1 1 1   -8    4   33 o  229.333   17.578   70.429   10.362   0.0000   0.0000   70.429   10.362  ?   ?   229.333   17.578 0.000000 17.57777 
1 1 1   -8    4   34 o  227.487   14.345   68.734   8.4096   62.205   12.095   74.845   11.701  212.668   22.287  235.062   19.390 -22.39429 29.54125 
1 1 1   -8    4   35 o  323.794   23.316  145.400   19.425  145.400   19.425   0.0000   0.0000  323.794   23.316  ?   ?  0.000000 23.31646 
1 1 1   -8    4   36 o  222.337   15.475   66.454   8.8571   63.287   12.872   69.301   12.206  211.749   23.885  223.481   21.345 -11.73196 32.03304 
1 1 1   -8    4   37 o  114.734   23.939   19.131   6.8844   21.460   10.484   17.365   9.1282  116.837   33.122  106.182   31.155 10.65565 45.47234 
1 1 1   -8    4   38 o  130.887   21.888   24.510   7.1588   28.914   9.3438   18.252   11.139  139.286   26.871  106.662   34.949 32.62452 44.08512 
1 1 1   -8    4   39 o  147.114   20.292   30.651   7.5268   33.952   11.060   27.803   10.273  148.113   29.858  133.222   30.435 14.89093 42.63583 
1 1 1   -8    4   40 f  120.466   26.075   22.091   7.9006   20.325   11.586   23.626   10.802  109.177   35.636  119.052   33.575 -9.874794 48.96072 
1 1 1   -8    4   41 o   48.216   22.735  -5.8885   7.3825   14.282   11.557 -19.7929   9.5953   93.218   35.132   43.743   21.747 49.47466 41.31760 
1 1 1   -8    4   42 o   73.970   29.620   7.2129   8.6156   14.892   12.225  -0.3647   12.144   92.688   35.832   68.124   31.070 24.56407 47.42701 
1 1 1   -8    4   43 o   78.642   30.284   9.6578   8.7061   11.413   12.744   8.1216   11.922   84.534   35.181   78.434   33.408 6.100700 48.51529 
1 1 1   -8    4   44 o   85.568   39.646   10.280   20.882   10.280   20.882   0.0000   0.0000   85.568   39.646  ?   ?  0.000000 39.64582 
1 1 1   -8    4   45 f  108.045   30.779   21.311   9.0306   21.751   12.407   20.815   13.170  101.028   36.694   97.884   37.355 3.143715 52.36308 
1 1 1   -8    4   46 o   98.876   31.978   19.146   9.3405   15.039   13.420   23.006   13.009   84.933   35.774   99.948   37.350 -15.01484 51.71863 
1 1 1   -8    4   47 o   81.645   31.080   13.317   9.1026   15.146   13.044   11.582   12.709   82.461   35.029   77.160   33.680 5.300919 48.59425 
1 1 1   -8    5    1 o  151.404   13.117   30.022   5.0935   0.0000   0.0000   30.022   5.0935  ?   ?   151.404   13.117 0.000000 13.11729 
1 1 1   -8    5    2 o  453.023   11.674  266.584   13.699   0.0000   0.0000  266.584   13.699  ?   ?   453.023   11.674 0.000000 11.67382 
1 1 1   -8    5    3 o  284.935   15.652  106.000   11.508   0.0000   0.0000  106.000   11.508  ?   ?   284.935   15.652 0.000000 15.65151 
1 1 1   -8    5    4 o  889.351   10.829  1026.79   24.947  1020.29   35.190  1033.36   35.371  885.491   15.342  891.149   15.323 -5.658325 21.68377 
1 1 1   -8    5    5 o  473.320   8.7191  290.570   10.690  292.926   15.284  288.315   14.957  474.885   12.425  471.151   12.255 3.734222 17.45238 
1 1 1   -8    5    6 o  313.626   10.374  127.631   8.4279  132.001   10.248  118.500   14.813  318.823   12.410  300.935   19.101 17.88794 22.77854 
1 1 1   -8    5    7 o  104.187   18.320   14.543   4.7635   19.570   10.929   13.364   5.2927  120.184   33.729   99.370   21.208 20.81405 39.84304 
1 1 1   -8    5    8 o  479.815   8.9505  298.506   11.124  301.638   15.903  295.506   15.566  482.050   12.737  477.137   12.595 4.913300 17.91209 
1 1 1   -8    5    9 o  312.538   9.1357  126.642   7.3960  133.078   10.742  120.842   10.198  320.214   12.951  305.140   12.902 15.07327 18.28103 
1 1 1   -8    5   10 o  215.800   10.111   60.385   5.6520   59.939   8.1124   60.807   7.8790  214.361   14.699  215.971   14.162 -1.609161 20.41152 
1 1 1   -8    5   11 o  450.788   9.1353  263.422   10.667  259.604   15.144  267.181   15.027  447.300   13.071  453.799   12.784 -6.499084 18.28332 
1 1 1   -8    5   12 o  144.059   13.657   27.170   5.0355   28.161   7.2338   26.239   7.0137  145.871   19.644  140.690   19.793 5.181030 27.88648 
1 1 1   -8    5   13 f  551.407   9.6227  394.155   13.744  398.308   19.755  390.260   19.134  554.035   13.766  548.431   13.469 5.604004 19.25896 
1 1 1   -8    5   14 o  173.113   15.075   39.195   6.6924   41.384   9.5708   37.101   9.3617  177.097   21.290  167.407   22.132 9.689804 30.70961 
1 1 1   -8    5   15 o  359.564   14.384  167.802   13.397  173.500   18.781  161.900   19.115  364.721   19.955  352.136   21.053 12.58545 29.00726 
1 1 1   -8    5   16 o  658.014   14.850  562.125   25.312  562.125   25.312   0.0000   0.0000  658.014   14.850  ?   ?  0.000000 14.85023 
1 1 1   -8    5   17 o  787.748   15.205  805.883   31.025   0.0000   0.0000  805.883   31.025  ?   ?   787.748   15.205 0.000000 15.20463 
1 1 1   -8    5   18 o  634.970   11.623  523.088   19.117  521.100   32.278  524.162   23.726  632.745   19.694  635.328   14.417 -2.582397 24.40683 
1 1 1   -8    5   19 o  475.605   10.195  293.388   12.559  278.319   18.030  307.593   17.505  462.837   15.039  486.682   13.886 -23.84564 20.46903 
1 1 1   -8    5   20 f  397.972   10.439  205.471   10.762  195.007   14.890  216.912   15.571  387.377   14.840  408.567   14.713 -21.18958 20.89715 
1 1 1   -8    5   21 o  884.357   11.480  1015.19   26.298  1022.48   37.560  1008.17   36.833  886.511   16.357  880.333   16.152 6.178772 22.98778 
1 1 1   -8    5   22 o  496.440   10.564  319.869   13.585  333.631   19.837  307.714   18.642  506.445   15.121  486.422   14.796 20.02350 21.15574 
1 1 1   -8    5   23 o  195.656   16.104   50.186   8.0890   50.497   11.472   49.879   11.407  195.020   23.163  193.804   23.184 1.216736 32.77176 
1 1 1   -8    5   24 o  324.381   11.554  136.724   9.7078  139.693   14.619  134.382   12.984  326.770   17.334  321.161   15.607 5.609680 23.32460 
1 1 1   -8    5   25 o  320.115   12.854  133.343   10.659  137.800   17.754  130.831   13.328  323.426   21.312  316.220   16.327 7.205414 26.84696 
1 1 1   -8    5   26 o  216.042   24.794   62.453   13.624   80.500   22.284   51.680   17.216  241.505   36.783  192.917   35.769 48.58896 51.30727 
1 1 1   -8    5   27 o  329.005   13.931  141.296   11.873  148.763   14.649  127.000   20.269  336.993   16.781  308.086   25.631 28.90729 30.63626 
1 1 1   -8    5   28 o  399.940   12.426  208.717   12.873  203.515   15.604  219.800   22.775  394.173   15.282  406.793   21.693 -12.61996 26.53542 
1 1 1   -8    5   29 o  416.746   12.748  227.039   13.762  225.223   16.993  230.500   23.460  414.033   15.844  415.665   21.865 -1.631317 27.00268 
1 1 1   -8    5   30 o  180.855   16.317   43.441   7.5617   44.438   10.623   42.416   10.766  180.709   23.232  176.120   24.242 4.588577 33.57677 
1 1 1   -8    5   31 o   78.564   25.691   8.1788   6.0207   4.4817   8.9140   11.280   8.1645   75.067   30.104   91.301   29.920 -16.23432 42.44415 
1 1 1   -8    5   32 o  145.962   18.745   28.825   6.9234   22.485   9.4317   36.232   10.195  124.966   29.594  161.398   25.210 -36.43163 38.87633 
1 1 1   -8    5   33 o   74.245   26.964   6.6308   6.6991   4.6917   9.7445   8.3686   9.2247   77.007   31.266   84.126   31.449 -7.119057 44.34655 
1 1 1   -8    5   34 o   84.764   27.575   9.9726   6.9394   12.839   10.245   7.5426   9.4328   96.164   33.507   81.977   31.536 14.18742 46.01349 
1 1 1   -8    5   35 o  185.065   27.549   49.340   12.804   49.340   12.804   0.0000   0.0000  185.065   27.549  ?   ?  0.000000 27.54939 
1 1 1   -8    5   36 o   59.630   24.950   1.8507   6.4585  -1.8730   10.418   4.1749   8.2309   65.952   29.547   70.336   28.667 -4.384148 41.16829 
1 1 1   -8    5   37 o  119.045   25.486   20.877   7.6219   23.833   10.728   17.864   10.831  122.927   32.999  106.482   34.435 16.44506 47.69368 
1 1 1   -8    5   38 o  176.678   17.420   42.950   7.8685   35.242   11.189   50.490   11.067  151.963   29.489  187.594   23.276 -35.63136 37.56849 
1 1 1   -8    5   39 o   78.504   28.012   8.7253   7.1927  -1.7794   10.718   17.333   9.7019   65.387   29.572  103.734   32.482 -38.34635 43.92693 
1 1 1   -8    5   40 o  189.825   16.907   49.897   8.2262   46.949   11.588   52.891   11.679  176.621   26.117  189.195   24.401 -12.57401 35.74205 
1 1 1   -8    5   41 o  103.625   27.248   17.032   7.4112   24.596   9.5212   5.4026   11.805  122.677   30.172   76.486   32.926 46.19088 44.65895 
1 1 1   -8    5   42 o  164.156   19.848   39.113   8.2682   40.505   11.955   37.837   11.448  156.354   30.613  151.376   30.254 4.978271 43.03987 
1 1 1   -8    5   43 o  110.050   33.040   22.082   10.173   28.380   16.222   17.999   13.060  112.430   41.769   96.109   37.069 16.32112 55.84621 
1 1 1   -8    5   44 o   61.115   28.045  -0.7074   10.097   8.3520   16.804  -5.8260   12.631   80.891   36.760   61.091   29.079 19.79988 46.87045 
1 1 1   -8    5   45 o   74.539   29.460   9.0237   8.4165   21.770   12.097  -2.9368   11.718  101.094   36.300   61.124   28.767 39.97031 46.31658 
1 1 1   -8    5   46 o   69.135   28.785   7.1044   8.5366  -2.8010   11.612   18.753   12.593   59.954   28.344   91.429   36.067 -31.47451 45.87222 
1 1 1   -8    5   47 o   58.891   26.937   1.2954   9.2113  -0.7716   10.643   7.4660   18.389   58.948   27.639   74.083   35.212 -15.13488 44.76328 
1 1 1   -8    6    1 o  369.423   9.5782  177.069   9.1655  183.800   17.711  174.607   10.711  375.507   18.209  366.720   11.276 8.787231 21.41733 
1 1 1   -8    6    2 o  101.945   12.547   13.703   3.2432   23.270   9.0202   12.283   3.4757  130.711   27.512   96.143   14.399 34.56773 31.05225 
1 1 1   -8    6    3 o  302.742   8.8712  118.878   6.9567  100.500   14.607  124.270   7.9116  276.733   20.524  309.477   9.8693 -32.74396 22.77348 
1 1 1   -8    6    4 o  491.779   12.439  314.093   15.846   0.0000   0.0000  314.093   15.846  ?   ?   491.779   12.439 0.000000 12.43945 
1 1 1   -8    6    5 o   86.941   15.167   10.111   3.2914   9.4369   4.7631   10.727   4.5535   83.506   21.790   88.956   20.220 -5.450035 29.72606 
1 1 1   -8    6    6 o  516.564   13.389  346.540   17.915  365.000   26.318  330.600   24.456  529.385   19.193  503.887   18.737 25.49759 26.82214 
1 1 1   -8    6    7 o  642.464   9.6103  535.274   15.993  545.501   23.069  525.809   22.193  648.138   13.740  636.365   13.463 11.77313 19.23699 
1 1 1   -8    6    8 o  406.599   8.9906  214.336   9.4690  207.721   13.538  220.672   13.249  400.049   13.064  412.375   12.404 -12.32584 18.01465 
1 1 1   -8    6    9 o  428.158   9.0132  237.651   9.9962  233.526   14.310  241.582   13.970  424.208   13.023  431.496   12.499 -7.288635 18.05016 
1 1 1   -8    6   10 o  450.158   9.0668  262.688   10.572  259.227   15.036  266.072   14.869  446.972   12.987  452.854   12.676 -5.882111 18.14718 
1 1 1   -8    6   11 o  627.555   9.6902  510.564   15.752  506.782   22.379  514.277   22.175  624.908   13.826  629.533   13.599 -4.624390 19.39255 
1 1 1   -8    6   12 o  547.108   9.5475  388.033   13.530  407.664   19.711  370.541   18.606  560.511   13.576  534.391   13.442 26.12000 19.10481 
1 1 1   -8    6   13 o  348.624   14.236  157.733   12.855   0.0000   0.0000  157.733   12.855  ?   ?   348.624   14.236 0.000000 14.23574 
1 1 1   -8    6   14 f  899.337   13.196  1049.40   30.741  1081.00   53.579  1033.89   37.533  911.189   22.700  892.257   16.240 18.93213 27.91122 
1 1 1   -8    6   15 o  160.053   19.145   33.778   7.7797   29.539   9.9373   40.490   12.504  148.208   26.875  173.801   28.782 -25.59315 39.37799 
1 1 1   -8    6   16 o  947.367   16.477  1166.01   40.434  1259.00   59.866  1088.00   54.830  982.847   23.515  913.751   23.166 69.09644 33.00891 
1 1 1   -8    6   17 o  252.140   13.022   82.730   8.4762   76.750   13.886   86.281   10.701  241.665   22.438  257.191   16.145 -15.52576 27.64288 
1 1 1   -8    6   18 o  283.666   16.018  104.904   11.722   0.0000   0.0000  104.904   11.722  ?   ?   283.666   16.018 0.000000 16.01838 
1 1 1   -8    6   19 o  580.879   10.271  437.685   15.455  435.184   22.169  440.050   21.557  578.739   14.788  582.026   14.299 -3.287109 20.57034 
1 1 1   -8    6   20 o  494.237   10.318  316.909   13.209  317.334   18.861  316.500   18.505  494.129   14.736  493.509   14.475 0.6196594 20.65659 
1 1 1   -8    6   21 o  116.454   23.377   18.356   6.8067   13.432   9.7657   23.009   9.4925  101.950   32.670  129.828   28.963 -27.87820 43.65940 
1 1 1   -8    6   22 o  269.824   12.566   94.591   8.7828   97.543   12.605   91.807   12.244  272.981   17.926  264.792   17.958 8.189056 25.37368 
1 1 1   -8    6   23 o   86.663   26.853   9.8578   6.6502   6.1571   9.3863   13.588   9.4235   82.106   31.488  101.733   32.038 -19.62724 44.92148 
1 1 1   -8    6   24 o  400.269   10.822  208.133   11.221  216.504   16.219  200.450   15.539  407.613   15.362  392.220   15.295 15.39316 21.67732 
1 1 1   -8    6   25 o  246.625   16.599   79.782   10.543   82.000   15.133   77.690   14.695  248.421   23.810  241.758   23.773 6.662964 33.64636 
1 1 1   -8    6   26 o  179.528   29.728   44.092   13.341   57.000   20.666   34.870   17.468  200.597   41.152  156.428   42.157 44.16928 58.91248 
1 1 1   -8    6   27 o  443.478   11.015  256.059   12.654  261.017   18.396  251.606   17.433  446.488   15.906  438.529   15.347 7.959290 22.10307 
1 1 1   -8    6   28 o  271.809   13.019   96.524   9.1664   99.387   12.668   93.378   13.280  274.188   17.935  265.255   19.464 8.933167 26.46752 
1 1 1   -8    6   29 o  206.202   17.829   56.520   9.4292   72.171   11.814   29.050   15.651  232.535   19.802  140.772   40.650 91.76288 45.21690 
1 1 1   -8    6   30 o  114.584   27.996   18.594   8.2385   17.767   9.9147   20.440   14.808  111.647   32.388  120.273   40.328 -8.626030 51.72294 
1 1 1   -8    6   31 o  124.886   30.634   22.457   9.8348   0.0000   0.0000   22.457   9.8348  ?   ?   124.886   30.634 0.000000 30.63397 
1 1 1   -8    6   32 o   90.867   25.708   11.640   6.3223   7.6095   9.2098   15.232   8.6947   82.560   31.302  103.096   30.451 -20.53671 43.67042 
1 1 1   -8    6   33 o  112.457   24.855   17.982   7.0475   17.461   9.6840   18.569   10.276  109.135   32.109  112.206   33.094 -3.071083 46.11066 
1 1 1   -8    6   34 o  181.930   17.919   44.819   8.3349   40.470   12.931   47.910   10.902  165.785   31.258  185.541   23.190 -19.75595 38.92078 
1 1 1   -8    6   35 o  143.443   45.462   35.290   18.951   35.290   18.951   0.0000   0.0000  143.443   45.462  ?   ?  0.000000 45.46185 
1 1 1   -8    6   36 o   63.123   25.780   3.0556   6.6740   1.3626   8.9898   5.1344   9.9617   66.696   28.722   76.374   31.379 -9.677490 42.53909 
1 1 1   -8    6   37 o  116.786   24.529   20.001   7.1842   13.617   9.9580   26.930   10.375   95.045   33.039  131.926   30.902 -36.88114 45.23847 
1 1 1   -8    6   38 o  119.809   25.494   21.388   7.6688   31.350   11.112   12.327   10.597  141.555   31.151   91.403   33.798 50.15155 45.96375 
1 1 1   -8    6   39 o   82.529   28.499   10.077   7.4031  -8.2798   11.147   24.562   9.9021   58.800   27.790  124.081   30.920 -65.28139 41.57351 
1 1 1   -8    6   40 o   89.382   29.522   12.577   7.9425   37.904   11.953  -7.4489   10.628  153.583   31.111   57.566   27.185 96.01721 41.31509 
1 1 1   -8    6   41 o  141.822   22.814   29.953   8.0970   28.241   12.616   31.151   10.558  124.493   36.656  138.002   30.361 -13.50938 47.59662 
1 1 1   -8    6   42 o  131.655   27.868   28.054   9.2073   30.394   13.214   25.845   12.837  125.628   37.642  115.411   37.502 10.21695 53.13499 
1 1 1   -8    6   43 o   67.618   28.711   4.7989   8.7564  -2.2260   14.621   8.7274   10.934   68.845   32.316   77.754   32.492 -8.909416 45.82623 
1 1 1   -8    6   44 o   57.728   27.351  -5.1417   10.922   2.6590   21.374  -7.8985   12.707   78.907   37.633   59.186   28.438 19.72057 47.16890 
1 1 1   -8    6   45 o   71.961   28.467   8.2067   7.8647   3.0692   10.166   15.864   12.411   65.258   29.215   87.884   35.424 -22.62671 45.91764 
1 1 1   -8    6   46 o   74.597   30.965   9.6700   9.8358   4.9087   12.420   17.680   16.109   69.273   31.527   86.289   37.785 -17.01588 49.21061 
1 1 1   -8    6   47 o   53.468   25.641  -4.9751   10.221  -6.5590   12.550  -1.8550   17.615   56.633   27.466   66.390   32.277 -9.756763 42.38159 
1 1 1   -8    7    1 o  341.063   8.5903  150.843   7.5891  150.200   16.451  151.017   8.5538  339.033   18.806  341.203   9.6782 -2.170319 21.15014 
1 1 1   -8    7    2 o  389.766   8.6575  196.999   8.7407  194.000   18.770  197.830   9.8769  385.904   18.777  390.521   9.7640 -4.616638 21.16433 
1 1 1   -8    7    3 o  257.849   9.2287   86.227   6.1639   86.240   14.766   86.224   6.7831  256.047   22.491  257.807   10.157 -1.759766 24.67837 
1 1 1   -8    7    4 o  273.909   9.4344   97.303   6.6937   75.060   15.113  102.731   7.4661  238.359   24.842  281.412   10.242 -43.05244 26.87045 
1 1 1   -8    7    5 o  523.298   18.947  356.500   25.682   0.0000   0.0000  356.500   25.682  ?   ?   523.298   18.947 0.000000 18.94682 
1 1 1   -8    7    6 o  357.440   10.522  165.720   9.7423  172.100   18.833  163.389   11.384  362.992   20.108  354.815   12.386 8.176331 23.61702 
1 1 1   -8    7    7 o  671.430   9.7680  584.573   16.989  585.642   24.300  583.552   23.760  671.625   13.968  670.459   13.681 1.166199 19.55193 
1 1 1   -8    7    8 o   70.152   20.320   6.5329   3.9055   5.9338   5.8096   7.0269   5.2754   71.856   25.221   74.499   24.026 -2.642700 34.83346 
1 1 1   -8    7    9 o  310.030   9.4526  124.611   7.5911  122.947   10.979  126.135   10.508  307.783   13.771  311.783   13.011 -3.999664 18.94515 
1 1 1   -8    7   10 f  203.031   11.105   53.617   5.8179   56.067   8.5223   51.479   7.9618  207.167   16.005  198.502   15.610 8.664673 22.35749 
1 1 1   -8    7   11 o  429.762   9.3632  239.424   10.423  231.930   14.762  246.876   14.719  422.777   13.480  436.214   13.027 -13.43683 18.74573 
1 1 1   -8    7   12 o  382.331   9.6913  189.503   9.5978  195.585   14.004  184.116   13.180  388.219   13.926  376.687   13.508 11.53232 19.40094 
1 1 1   -8    7   13 o  149.495   25.812   29.961   9.6340   0.0000   0.0000   29.961   9.6340  ?   ?   149.495   25.812 0.000000 25.81183 
1 1 1   -8    7   14 o  649.912   14.149  548.217   23.819  538.700   33.130  558.400   34.269  643.581   19.873  655.199   20.192 -11.61780 28.33112 
1 1 1   -8    7   15 o   98.348   24.605   13.106   6.2526   20.630   9.5923   7.5466   8.2448  123.158   30.281   83.057   29.952 40.10146 42.59142 
1 1 1   -8    7   16 f  457.297   21.112  272.300   25.008   0.0000   0.0000  272.300   25.008  ?   ?   457.297   21.112 0.000000 21.11177 
1 1 1   -8    7   17 o  917.912   11.552  1093.15   27.467  1102.92   39.541  1084.03   38.183  921.162   16.571  913.320   16.140 7.841675 23.13227 
1 1 1   -8    7   18 o  427.835   10.227  237.420   11.334  236.233   16.166  238.567   15.895  426.433   14.635  428.563   14.318 -2.129211 20.47428 
1 1 1   -8    7   19 o  300.456   11.654  117.164   9.0703  107.641   12.823  126.700   12.832  287.107   17.323  311.755   15.943 -24.64850 23.54340 
1 1 1   -8    7   20 o  311.072   16.155  126.220   12.972   0.0000   0.0000  126.220   12.972  ?   ?   311.072   16.155 0.000000 16.15497 
1 1 1   -8    7   21 o  370.215   11.214  177.937   10.753  150.584   15.009  206.785   15.414  339.610   17.117  398.731   14.924 -59.12125 22.70951 
1 1 1   -8    7   22 o  246.753   13.498   79.398   8.5951   83.497   12.520   75.743   11.821  252.187   19.312  240.147   19.163 12.04034 27.20608 
1 1 1   -8    7   23 o  432.714   10.911  243.202   12.229  236.850   17.346  249.481   17.244  426.371   15.706  437.674   15.211 -11.30219 21.86402 
1 1 1   -8    7   24 o  110.849   27.671   16.879   7.9203   15.600   11.916   17.892   10.601  109.737   36.155  114.601   33.561 -4.863586 49.33063 
1 1 1   -8    7   25 o  297.325   23.753  117.300   18.141   0.0000   0.0000  117.300   18.141  ?   ?   297.325   23.753 0.000000 23.75269 
1 1 1   -8    7   26 o  638.960   12.850  532.165   21.268  512.900   37.160  541.550   25.936  622.907   23.031  643.614   15.557 -20.70624 27.79271 
1 1 1   -8    7   27 f  473.246   11.034  291.714   13.526  287.490   19.407  295.704   18.863  468.350   15.997  475.226   15.323 -6.875153 22.15212 
1 1 1   -8    7   28 o  224.152   14.640   66.115   8.4538   68.181   11.946   64.041   11.965  225.923   20.641  218.652   21.400 7.271133 29.73241 
1 1 1   -8    7   29 o  396.106   11.218  204.853   11.510  196.646   16.538  212.564   16.030  386.279   16.528  402.070   15.392 -15.79089 22.58533 
1 1 1   -8    7   30 o  104.464   29.736   15.470   8.4324   18.466   9.9848   8.0210   15.746  113.470   32.378   97.550   39.692 15.92054 51.22325 
1 1 1   -8    7   31 o  300.788   13.895  119.018   10.826  121.821   12.946  112.500   19.741  302.906   16.562  285.315   27.034 17.59122 31.70455 
1 1 1   -8    7   32 o  147.113   21.950   29.816   8.1085   34.290   10.048   21.460   13.730  156.356   25.702  120.162   38.762 36.19443 46.50856 
1 1 1   -8    7   33 o   59.962   24.889   1.8348   6.3541   7.5078   8.5993  -4.9878   9.4303   80.380   30.302   59.383   27.196 20.99708 40.71633 
1 1 1   -8    7   34 o  132.692   22.864   24.794   7.5750   26.150   10.015   22.980   11.580  132.968   29.813  122.362   34.853 10.60590 45.86436 
1 1 1   -8    7   35 o  172.656   24.253   42.345   10.548   30.990   16.700   49.880   13.605  135.722   42.635  183.941   29.554 -48.21817 51.87659 
1 1 1   -8    7   36 o   91.387   26.116   12.340   6.4912   15.313   8.4218   7.9876   10.188  100.389   30.045   82.430   32.466 17.95854 44.23475 
1 1 1   -8    7   37 o   81.937   26.884   9.7609   6.5908   16.931   8.5587  -0.6857   10.331  104.571   30.021   66.536   29.643 38.03513 42.18994 
1 1 1   -8    7   38 o  117.778   24.220   20.504   7.1422   25.571   9.4208   13.656   10.953  128.704   28.959   94.371   34.446 34.33320 45.00176 
1 1 1   -8    7   39 o   68.813   27.207   5.3607   7.1804   4.9688   10.435   5.7130   9.8953   74.774   31.524   75.113   31.108 -0.3389816 44.28867 
1 1 1   -8    7   40 o   58.138   25.454   0.6068   7.3083   0.0846   10.368   1.1226   10.304   65.889   29.500   67.267   29.806 -1.378654 41.93611 
1 1 1   -8    7   41 o  267.566   14.292   98.015   9.8698   92.105   13.338  105.167   14.673  252.192   20.597  268.640   21.260 -16.44795 29.60176 
1 1 1   -8    7   42 o   68.406   27.840   5.7205   7.7488   7.9623   11.038   3.5424   10.880   77.412   32.517   69.961   30.832 7.451355 44.81040 
1 1 1   -8    7   43 o   67.131   31.934  -4.7200   15.185  -4.7200   15.185   0.0000   0.0000   67.131   31.934  ?   ?  0.000000 31.93367 
1 1 1   -8    7   44 o   94.245   33.718   17.412   10.428   10.890   19.339   20.085   12.383   83.443   38.482   97.635   36.449 -14.19263 53.00358 
1 1 1   -8    7   45 o  103.951   33.869   21.977   10.467   32.124   13.066   3.8040   17.486  121.096   37.659   74.149   34.971 46.94710 51.39296 
1 1 1   -8    7   46 o   69.498   30.423   6.8698   10.436   12.370   12.716  -4.4810   18.267   78.886   34.064   66.959   32.624 11.92700 47.16695 
1 1 1   -8    7   47 o   89.292   32.671   17.813   9.8611   16.879   13.083   19.040   15.005   82.641   35.093   84.078   36.651 -1.437531 50.74279 
1 1 1   -8    8    1 o  291.216   11.034  110.029   8.3231  110.600   15.587  109.801   9.8439  290.590   20.846  290.813   13.068 -0.2229614 24.60375 
1 1 1   -8    8    2 o  704.672   9.8565  644.008   17.991  656.100   37.444  640.379   20.514  709.665   20.369  702.535   11.273 7.130066 23.28070 
1 1 1   -8    8    3 o  348.693   9.1242  157.654   8.2412  129.800   17.891  165.156   9.2849  314.759   22.083  356.849   10.045 -42.09070 24.26036 
1 1 1   -8    8    4 o  449.907   10.874  262.570   12.672  285.200   23.503  253.296   15.046  468.096   19.384  441.730   13.150 26.36667 23.42327 
1 1 1   -8    8    5 o  532.070   10.849  367.202   14.953  349.900   26.858  374.974   18.000  518.458   19.999  537.503   12.928 -19.04462 23.81378 
1 1 1   -8    8    6 o  509.734   10.761  336.987   14.208  356.300   27.016  329.603   16.705  523.249   19.933  503.972   12.797 19.27698 23.68693 
1 1 1   -8    8    7 o  835.889   10.688  906.123   23.142  908.310   32.990  904.003   32.473  836.333   15.228  834.377   15.025 1.955811 21.39255 
1 1 1   -8    8    8 o  341.532   9.3320  151.217   8.2557  152.833   12.012  149.771   11.366  343.171   13.513  339.745   12.915 3.425598 18.69211 
1 1 1   -8    8    9 o  103.977   16.684   14.395   4.3416   13.252   6.3310   15.409   5.9652   98.907   24.766  106.826   22.279 -7.918571 33.31253 
1 1 1   -8    8   10 o  464.459   9.4137  279.652   11.325  289.094   16.446  271.135   15.619  472.007   13.451  457.128   13.191 14.87900 18.83965 
1 1 1   -8    8   11 o  498.507   9.6726  322.169   12.490  320.000   17.864  324.244   17.470  496.570   13.888  499.880   13.492 -3.310303 19.36264 
1 1 1   -8    8   12 o  276.417   11.828   99.102   8.4692   87.881   12.377  108.982   11.614  259.367   18.545  289.299   15.555 -29.93201 24.20506 
1 1 1   -8    8   13 o  380.673   13.610  188.055   13.420  173.600   18.558  203.900   19.429  364.828   19.711  396.019   18.940 -31.19077 27.33583 
1 1 1   -8    8   14 o  617.881   11.490  495.193   18.389  486.200   30.641  500.255   22.990  611.415   19.347  620.780   14.297 -9.364563 24.05668 
1 1 1   -8    8   15 o  232.612   17.042   70.695   10.197   65.030   12.594   81.480   17.376  222.340   22.163  248.224   27.485 -25.88426 35.30757 
1 1 1   -8    8   16 o  935.998   13.673  1137.41   33.150  1051.00   56.646  1182.41   40.881  897.399   24.369  953.803   16.547 -56.40417 29.45551 
1 1 1   -8    8   17 o  344.382   10.923  153.859   9.7440  160.943   14.006  147.213   13.565  351.935   15.364  336.575   15.559 15.36026 21.86608 
1 1 1   -8    8   18 o  449.879   14.536  262.967   16.939   0.0000   0.0000  262.967   16.939  ?   ?   449.879   14.536 0.000000 14.53596 
1 1 1   -8    8   19 o  413.760   10.685  222.147   11.452  218.057   16.651  225.818   15.775  409.485   15.698  416.822   14.610 -7.337280 21.44506 
1 1 1   -8    8   20 o  382.518   11.001  189.928   10.900  179.420   15.594  199.969   15.244  371.305   16.213  392.125   15.008 -20.82077 22.09279 
1 1 1   -8    8   21 o  254.584   13.327   84.475   8.7577   79.266   12.485   89.520   12.287  245.635   19.791  261.392   18.262 -15.75732 26.92928 
1 1 1   -8    8   22 o  323.365   11.879  135.865   9.9499  132.239   13.932  139.639   14.214  318.044   16.973  326.868   16.845 -8.823761 23.91354 
1 1 1   -8    8   23 o  341.300   11.735  151.408   10.375  159.758   14.681  143.078   14.664  350.019   16.192  330.668   17.179 19.35138 23.60731 
1 1 1   -8    8   24 o  460.415   13.694  276.105   16.332  291.100   23.374  261.800   22.829  471.487   19.138  446.979   19.718 24.50775 27.47848 
1 1 1   -8    8   25 f  135.097   27.364   25.086   9.2474   33.231   10.806   2.7950   17.875  155.900   27.777   97.414   41.174 58.48542 49.66695 
1 1 1   -8    8   26 o  388.762   13.740  197.316   13.837  211.800   27.203  192.260   16.071  397.661   26.562  383.157   16.192 14.50497 31.10837 
1 1 1   -8    8   27 o  353.116   11.539  162.583   10.555  155.291   14.565  170.646   15.317  343.949   16.348  360.537   16.401 -16.58856 23.15671 
1 1 1   -8    8   28 o  310.278   12.207  125.795   9.8108  126.719   13.732  124.831   14.022  309.629   17.189  307.121   17.700 2.507782 24.67322 
1 1 1   -8    8   29 o  273.427   12.426   97.852   8.8005  102.351   13.226   94.278   11.790  277.302   18.519  266.606   17.163 10.69623 25.24900 
1 1 1   -8    8   30 o  251.441   13.545   83.266   8.7895   83.066   12.533   83.459   12.330  248.906   19.598  249.662   19.213 -0.7560883 27.44490 
1 1 1   -8    8   31 o  130.897   26.257   24.216   8.5932   28.363   10.101   13.350   16.350  140.942   28.644  106.353   41.348 34.58938 50.30031 
1 1 1   -8    8   32 o  290.237   14.896  111.731   11.161  115.430   13.571  104.000   19.619  293.474   17.938  271.858   28.274 21.61624 33.48437 
1 1 1   -8    8   33 o  162.862   19.171   36.181   7.9328   31.397   9.4897   47.280   14.454  148.721   25.555  179.011   32.363 -30.29025 41.23559 
1 1 1   -8    8   34 o   38.433   19.043 -15.6476   7.1242   0.8488   8.5768 -52.3600   12.795   65.071   28.038  ?   ?  0.000000 28.03787 
1 1 1   -8    8   35 o   93.517   31.602   12.824   9.0937   24.400   19.983   9.8006   10.213  121.152   46.067   86.949   32.963 34.20232 56.64555 
1 1 1   -8    8   36 o   64.728   26.184   3.6715   6.8071   13.037   10.239  -3.7469   9.1126   93.862   33.429   58.617   26.804 35.24529 42.84787 
1 1 1   -8    8   37 f   62.810   26.389   2.4100   7.2725  -1.1250   10.125   6.1772   10.452   65.089   29.147   78.195   32.137 -13.10622 43.38555 
1 1 1   -8    8   38 o  155.870   19.942   34.355   7.8671   32.794   10.989   35.996   11.268  144.760   30.279  152.424   29.607 -7.664093 42.34824 
1 1 1   -8    8   39 o  179.994   18.159   45.353   8.3506   46.669   11.982   44.110   11.645  174.883   27.345  169.916   27.388 4.966995 38.70227 
1 1 1   -8    8   40 o  158.411   21.753   36.717   8.6904   47.250   12.514   26.907   12.078  172.896   28.967  122.962   35.768 49.93437 46.02641 
1 1 1   -8    8   41 o   62.933   27.344   2.2110   8.2957   4.9479   11.956  -0.3297   11.520   74.641   32.622   66.596   30.330 8.044777 44.54323 
1 1 1   -8    8   42 f   49.878   23.741  -6.6781   8.4185  -9.2068   11.881  -4.1286   11.930   57.201   27.488   62.114   29.167 -4.913246 40.07867 
1 1 1   -8    8   43 f   76.692   33.517   7.7825   12.620   7.7825   12.620   0.0000   0.0000   76.692   33.517  ?   ?  0.000000 33.51671 
1 1 1   -8    8   44 o   70.097   30.316   6.0541   10.103   1.2029   12.205   16.610   18.004   66.409   30.607   88.033   39.183 -21.62314 49.72020 
1 1 1   -8    8   45 o   59.731   26.497   2.3732   8.1665   3.7401   10.041  -0.2974   14.035   65.177   29.117   66.238   31.268 -1.060837 42.72594 
1 1 1   -8    8   46 o   76.997   29.661   11.284   8.3532   8.7773   10.973   14.738   12.882   72.155   31.400   81.508   34.722 -9.353035 46.81411 
1 1 1   -8    9    1 o  244.668   10.296   77.633   6.5253   81.970   9.6691   74.007   8.8426  250.781   14.953  238.302   14.393 12.47911 20.75407 
1 1 1   -8    9    2 o  317.680   9.2170  130.846   7.5845  154.400   18.042  125.790   8.3590  343.797   20.351  311.439   10.362 32.35809 22.83677 
1 1 1   -8    9    3 o  217.216   13.531   61.481   7.5755   60.280   14.774   61.909   8.8238  213.061   27.405  217.741   15.751 -4.680557 31.60884 
1 1 1   -8    9    4 o  868.841   12.651  979.551   28.473  1029.00   52.036  958.418   34.017  888.653   22.606  859.043   15.287 29.61005 27.28962 
1 1 1   -8    9    5 o  577.969   9.5485  433.098   14.295  447.200   30.543  429.143   16.176  586.244   20.114  575.235   10.856 11.00867 22.85638 
1 1 1   -8    9    6 o  553.938   9.5888  397.825   13.759  368.700   28.356  406.794   15.735  532.283   20.566  560.066   10.846 -27.78302 23.25090 
1 1 1   -8    9    7 o  757.212   12.049  743.783   23.632  742.800   42.453  744.224   28.447  755.365   21.697  757.166   14.504 -1.801086 26.09854 
1 1 1   -8    9    8 o  644.724   9.8460  538.914   16.443  546.269   23.623  532.002   22.902  648.759   14.057  640.255   13.809 8.503906 19.70534 
1 1 1   -8    9    9 o   58.419   21.281   3.5996   4.1775   6.5172   5.9362   0.7371   5.8799   74.181   25.525   56.996   23.823 17.18436 34.91537 
1 1 1   -8    9   10 o   72.832   23.648   6.6748   5.1046   9.1813   7.7682   4.7700   6.7719   86.731   29.208   71.171   26.876 15.56007 39.69174 
1 1 1   -8    9   11 o  384.865   14.645  192.276   14.600   0.0000   0.0000  192.276   14.600  ?   ?   384.865   14.645 0.000000 14.64494 
1 1 1   -8    9   12 o  567.318   13.602  417.682   19.989  400.200   28.019  435.800   28.524  554.731   19.499  578.936   19.021 -24.20538 27.23989 
1 1 1   -8    9   13 o   85.878   25.527   9.7435   6.0948   9.7310   9.2962   9.7529   8.0718   91.347   31.913   88.993   29.775 2.354164 43.64586 
1 1 1   -8    9   14 o  858.050   12.722  955.416   28.276  1003.00   50.085  933.154   34.258  877.449   22.036  847.578   15.604 29.87128 27.00140 
1 1 1   -8    9   15 o  416.354   16.472  225.301   17.765  184.600   26.418  258.900   24.002  374.750   27.405  445.861   20.783 -71.11102 34.39387 
1 1 1   -8    9   16 o   93.277   25.584   11.728   6.3672   20.084   9.3436   4.4830   8.6998  121.400   29.908   76.489   30.041 44.91087 42.39035 
1 1 1   -8    9   17 o  569.826   10.176  421.192   15.019  416.619   21.805  425.320   20.718  566.225   14.867  572.217   13.978 -5.991821 20.40590 
1 1 1   -8    9   18 o  564.304   14.625  413.871   21.378   0.0000   0.0000  413.871   21.378  ?   ?   564.304   14.625 0.000000 14.62512 
1 1 1   -8    9   19 o  452.938   10.441  266.224   12.250  264.427   17.266  268.045   17.381  450.964   14.781  454.039   14.779 -3.075500 20.90194 
1 1 1   -8    9   20 o  666.298   10.522  576.252   18.160  586.691   26.254  566.677   25.144  671.526   15.093  660.048   14.707 11.47803 21.07367 
1 1 1   -8    9   21 o  379.841   10.977  187.361   10.800  179.847   15.151  195.123   15.399  371.625   15.739  387.137   15.356 -15.51126 21.98931 
1 1 1   -8    9   22 o  425.254   10.994  234.922   12.110  214.546   16.897  256.442   17.365  405.699   16.079  443.712   15.109 -38.01321 22.06390 
1 1 1   -8    9   23 o  284.442   13.823  105.360   10.185  112.600   16.004  100.432   13.203  292.221   21.289  276.508   18.542 15.71310 28.23155 
1 1 1   -8    9   24 o  282.044   14.758  104.051   10.744  107.837   13.708   98.020   17.302  286.330   18.583  271.251   24.903 15.07892 31.07199 
1 1 1   -8    9   25 o  121.068   38.068   20.061   13.311   35.680   20.262   8.2040   17.654  157.451   46.481  104.428   42.194 53.02290 62.77543 
1 1 1   -8    9   26 o  248.822   13.903   81.160   8.9252   76.974   12.713   85.228   12.533  240.569   20.601  253.642   19.218 -13.07257 28.17333 
1 1 1   -8    9   27 o  365.166   16.595  175.350   15.697   0.0000   0.0000  175.350   15.697  ?   ?   365.166   16.595 0.000000 16.59489 
1 1 1   -8    9   28 o  290.621   12.263  110.451   9.2319  108.953   12.503  112.246   13.689  286.940   16.896  290.740   18.270 -3.800873 24.88528 
1 1 1   -8    9   29 o   88.305   27.027   10.743   6.7605   19.259   9.7724   2.9272   9.3622  115.782   31.670   73.156   30.275 42.62569 43.81300 
1 1 1   -8    9   30 o   58.990   24.981   0.8183   6.6007  -0.2780   9.2477   1.9568   9.4244   66.558   28.895   71.183   29.981 -4.625504 41.63850 
1 1 1   -8    9   31 o  210.771   14.375   58.883   7.8015   42.103   11.544   72.989   10.584  173.164   26.586  233.477   17.631 -60.31313 31.90079 
1 1 1   -8    9   32 o   61.228   26.429   0.1942   7.6483   3.6338   8.9475  -9.1380   14.738   72.365   29.736   71.234   33.109 1.130966 44.50211 
1 1 1   -8    9   33 o   66.160   27.790   2.1291   8.0619   12.280   9.5651 -22.7700   14.981   93.609   32.390   60.312   29.420 33.29716 43.75681 
1 1 1   -8    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8    9   35 o  208.130   21.315   60.539   11.329   0.0000   0.0000   60.539   11.329  ?   ?   208.130   21.315 0.000000 21.31462 
1 1 1   -8    9   36 o  280.266   13.097  104.754   9.5080  108.894   13.036  100.049   13.898  281.727   17.957  268.062   20.163 13.66531 27.00010 
1 1 1   -8    9   37 o   52.135   23.406  -1.6469   6.5740   8.6336   10.072  -9.2770   8.6771   82.218   32.313   49.876   23.840 32.34137 40.15540 
1 1 1   -8    9   38 o   65.919   27.063   3.9234   7.4026  -5.9530   10.825   12.598   10.145   60.193   28.109   90.547   33.137 -30.35419 43.45363 
1 1 1   -8    9   39 o   93.705   28.364   13.927   7.4747   13.079   11.488   14.549   9.8432   91.051   34.855   94.274   32.844 -3.222702 47.89174 
1 1 1   -8    9   40 o   87.059   29.875   12.248   8.1292   8.6172   11.526   15.841   11.467   80.880   33.542   95.469   35.186 -14.58855 48.61147 
1 1 1   -8    9   41 o  208.660   17.776   61.973   9.5162   59.767   13.693   64.034   13.234  192.565   28.296  202.607   25.803 -10.04213 38.29452 
1 1 1   -8    9   42 o   72.963   30.748   6.8307   9.9221   11.250   15.584   3.8180   12.867   84.422   37.061   72.395   32.602 12.02660 49.35995 
1 1 1   -8    9   43 o   78.769   37.180   4.7410   19.837   4.7410   19.837   0.0000   0.0000   78.769   37.180  ?   ?  0.000000 37.18002 
1 1 1   -8    9   44 o   74.883   31.571   8.9578   10.468   17.054   13.208  -4.7160   17.166   89.071   36.310   67.600   32.624 21.47115 48.81363 
1 1 1   -8    9   45 o   57.426   26.260   0.3665   8.7468   2.1588   12.981  -1.1241   11.838   66.597   30.993   61.530   28.945 5.067104 42.40715 
1 1 1   -8    9   46 o   90.026   30.438   16.503   8.4365   6.8204   13.093   23.377   11.032   69.848   32.010  100.607   34.786 -30.75855 47.27260 
1 1 1   -8   10    1 o  482.925   19.756  303.400   24.713  303.400   24.713   0.0000   0.0000  482.925   19.756  ?   ?  0.000000 19.75620 
1 1 1   -8   10    2 o  1077.51   17.642  1509.06   49.239  1538.00   70.832  1482.00   68.497  1085.80   25.184  1065.96   24.807 19.83691 35.35027 
1 1 1   -8   10    3 o  782.439   10.471  793.889   21.222  832.400   44.926  782.828   24.077  799.563   21.692  776.822   11.965 22.74060 24.77319 
1 1 1   -8   10    4 o  739.258   12.073  708.957   23.119  706.600   40.969  710.059   28.004  736.734   21.468  739.552   14.619 -2.818359 25.97266 
1 1 1   -8   10    5 o  659.226   9.9731  563.464   17.030  538.500   35.035  571.188   19.487  643.240   21.027  663.622   11.336 -20.38220 23.88841 
1 1 1   -8   10    6 o  887.580   11.200  1021.71   25.751  1021.00   52.895  1021.93   29.480  885.317   23.066  887.488   12.824 -2.171814 26.39085 
1 1 1   -8   10    7 o  681.501   10.264  602.208   18.119  609.300   38.288  600.161   20.568  684.172   21.605  680.229   11.673 3.943542 24.55656 
1 1 1   -8   10    8 o  646.046   10.240  541.173   17.137  573.400   37.549  532.694   19.260  663.680   21.842  640.863   11.602 22.81726 24.73182 
1 1 1   -8   10    9 o  199.775   12.462   51.976   6.4166   54.466   8.9652   49.361   9.1877  204.037   17.121  193.995   18.508 10.04259 25.21304 
1 1 1   -8   10   10 o  215.633   14.645   60.639   8.1314   63.670   12.770   58.572   10.546  219.949   22.742  211.337   19.483 8.611938 29.94694 
1 1 1   -8   10   11 o  435.936   13.189  246.608   14.893  255.000   21.381  238.700   20.756  442.864   18.638  428.470   18.701 14.39362 26.40311 
1 1 1   -8   10   12 o   92.414   24.565   11.530   5.9815   12.490   9.4561   10.890   7.7228   99.191   32.185   91.900   29.010 7.290367 43.33022 
1 1 1   -8   10   13 o   92.457   23.718   11.571   5.7081   7.6600   8.5899   14.663   7.6386   84.185   30.539  104.111   27.801 -19.92627 41.29836 
1 1 1   -8   10   14 o  179.387   18.906   42.331   8.6525   41.643   10.165   44.140   16.488  177.309   22.649  179.903   36.628 -2.594406 43.06441 
1 1 1   -8   10   15 o  451.941   12.425  265.108   14.545  243.700   29.097  272.239   16.794  430.938   26.191  457.831   14.161 -26.89319 29.77436 
1 1 1   -8   10   16 o  188.850   20.732   47.039   9.9748   47.039   9.9748   0.0000   0.0000  188.850   20.732  ?   ?  0.000000 20.73204 
1 1 1   -8   10   17 o  479.963   10.432  298.888   12.970  309.588   18.823  289.216   17.896  488.029   14.890  471.725   14.646 16.30325 20.88570 
1 1 1   -8   10   18 o  455.014   10.636  268.687   12.536  274.258   18.342  263.803   17.173  459.197   15.421  450.444   14.719 8.752380 21.31760 
1 1 1   -8   10   19 o  468.667   10.699  285.118   12.989  292.180   18.696  278.529   18.058  473.890   15.231  462.709   15.067 11.18100 21.42381 
1 1 1   -8   10   20 o  394.740   11.110  202.352   11.360  189.464   16.262  214.636   15.876  381.352   16.462  406.085   15.093 -24.73334 22.33389 
1 1 1   -8   10   21 o  132.409   22.173   23.578   7.3360   13.618   10.506   33.055   10.248  103.089   33.949  156.439   26.217 -53.35043 42.89369 
1 1 1   -8   10   22 o  342.456   11.626  152.457   10.313  150.739   15.082  153.966   14.133  339.344   17.215  343.594   15.879 -4.250702 23.41980 
1 1 1   -8   10   23 f   88.477   30.181   9.7007   8.2953   8.7430   11.300   10.820   12.216   92.281   34.747   98.754   36.328 -6.472878 50.26983 
1 1 1   -8   10   24 o  290.581   13.035  110.050   9.8112  110.818   14.031  109.315   13.724  290.036   18.777  288.128   18.487 1.907440 26.34999 
1 1 1   -8   10   25 o  167.369   24.169   37.915   10.174   31.230   19.491   40.419   11.929  147.694   46.006  171.807   27.750 -24.11301 53.72730 
1 1 1   -8   10   26 o  286.344   18.216  108.446   13.441   0.0000   0.0000  108.446   13.441  ?   ?   286.344   18.216 0.000000 18.21575 
1 1 1   -8   10   27 o  285.781   12.995  106.869   9.6196  103.441   13.512  110.392   13.699  279.016   18.805  288.418   18.432 -9.402008 26.33199 
1 1 1   -8   10   28 o  148.211   18.545   29.552   6.9637   22.293   8.8711   41.207   11.240  125.554   27.991  172.712   25.926 -47.15820 38.15289 
1 1 1   -8   10   29 o  170.095   16.802   38.647   7.3063   47.243   10.764   31.303   9.9492  186.010   22.819  149.444   26.681 36.56671 35.10769 
1 1 1   -8   10   30 o  125.972   22.988   22.082   7.2247   20.136   9.7674   24.434   10.736  117.579   31.455  129.225   32.192 -11.64598 45.00807 
1 1 1   -8   10   31 o  167.378   18.259   37.873   7.7880   36.246   11.018   39.498   11.010  159.569   27.658  167.432   26.249 -7.862442 38.13117 
1 1 1   -8   10   32 o   55.645   23.111   1.5066   5.4839   2.7635   7.5067   0.0681   8.0306   65.927   27.181   62.180   26.960 3.746941 38.28378 
1 1 1   -8   10   33 o   76.551   29.812   6.3627   8.5105   1.5810   11.048   13.340   13.346   73.534   31.753   99.307   37.674 -25.77302 49.27071 
1 1 1   -8   10   34 o  195.202   28.741   56.053   14.097   58.520   21.426   54.170   18.720  183.781   45.298  181.194   40.861 2.586563 61.00416 
1 1 1   -8   10   35 o   85.627   30.004   10.500   8.2201   11.678   9.4351   6.7910   16.746   89.803   32.078   90.579   39.102 -0.7755203 50.57692 
1 1 1   -8   10   36 o  172.247   17.376   40.885   7.6468   50.226   11.741   34.004   10.077  185.441   25.087  150.997   26.743 34.44452 36.66799 
1 1 1   -8   10   37 o  284.723   19.584  113.453   14.356   0.0000   0.0000  113.453   14.356  ?   ?   284.723   19.584 0.000000 19.58447 
1 1 1   -8   10   38 o  109.238   25.645   18.247   7.1324   16.705   10.431   19.602   9.7744  100.260   33.846  108.862   32.319 -8.601730 46.79816 
1 1 1   -8   10   39 o  112.861   25.732   19.732   7.3554   18.362   9.7862   21.511   11.151  103.959   32.634  110.612   34.854 -6.652985 47.74707 
1 1 1   -8   10   40 o   87.241   27.602   12.301   6.9880   24.412   9.9225   0.3838   9.8430  119.409   31.591   63.821   28.647 55.58817 42.64579 
1 1 1   -8   10   41 o   90.247   30.006   14.019   8.2005   12.751   10.630   15.883   12.888   86.010   33.368   92.127   36.442 -6.117348 49.41040 
1 1 1   -8   10   42 o   46.844   22.928 -12.4368   9.3262   5.3930   13.317 -29.6000   13.065   74.206   33.314   46.894   23.607 27.31186 40.83006 
1 1 1   -8   10   43 o   66.287   31.240  -1.4572   13.906   9.4860   21.219  -9.6950   18.410   82.078   38.654   66.634   32.528 15.44429 50.51939 
1 1 1   -8   10   44 o   89.729   30.991   15.557   8.7547   11.542   12.229   19.778   12.539   79.070   33.761   93.667   36.267 -14.59743 49.54893 
1 1 1   -8   10   45 o   72.656   29.148   9.3690   8.3597   12.293   10.967   5.3149   12.915   78.358   32.626   69.130   31.721 9.227219 45.50452 
1 1 1   -8   10   46 o   43.912   21.478  -9.1053   8.1411  -4.3556   10.886 -15.1320   12.263   54.734   26.305   49.699   24.687 5.034992 36.07467 
1 1 1   -8   11    1 o  346.698   10.073  155.850   9.0459  157.312   12.952  154.458   12.639  348.120   14.364  344.960   14.145 3.160370 20.15924 
1 1 1   -8   11    2 o  309.371   10.500  124.109   8.4146  126.713   11.961  121.559   11.840  312.413   14.781  305.986   14.938 6.426727 21.01471 
1 1 1   -8   11    3 o  321.989   12.432  134.505   10.369  129.900   19.660  136.280   12.204  314.758   24.301  324.005   14.541 -9.246948 28.31926 
1 1 1   -8   11    4 o  132.784   15.252   23.193   5.1506   18.250   14.322   23.927   5.5199  120.270   39.639  134.775   16.132 -14.50544 42.79622 
1 1 1   -8   11    5 o  641.632   10.116  533.798   16.813  558.000   36.204  527.143   18.985  654.756   21.346  637.516   11.497 17.24017 24.24543 
1 1 1   -8   11    6 o  620.835   10.131  499.757   16.291  480.100   33.981  505.624   18.564  607.299   21.602  624.369   11.478 -17.07062 24.46196 
1 1 1   -8   11    7 o  609.457   10.343  481.631   16.329  495.600   36.053  478.026   18.315  616.879   22.563  607.077   11.647 9.801880 25.39156 
1 1 1   -8   11    8 o  375.570   13.054  183.028   12.699  168.900   26.609  187.195   14.451  358.342   28.913  379.726   14.692 -21.38467 32.43141 
1 1 1   -8   11    9 o  845.027   15.839  927.433   34.670   0.0000   0.0000  927.433   34.670  ?   ?   845.027   15.839 0.000000 15.83924 
1 1 1   -8   11   10 o  352.089   16.153  161.039   14.732   92.520   27.228  189.400   17.517  261.647   41.565  381.719   17.717 -120.0715 45.18312 
1 1 1   -8   11   11 o  691.510   11.758  620.356   21.060  601.700   34.941  631.001   26.393  679.987   19.837  697.101   14.617 -17.11353 24.64077 
1 1 1   -8   11   12 o  367.570   11.370  175.273   10.825  169.400   17.476  178.929   13.789  360.365   18.787  371.205   14.341 -10.83954 23.63470 
1 1 1   -8   11   13 o  668.831   10.563  580.238   18.300  578.440   26.473  581.883   25.324  667.243   15.317  669.321   14.606 -2.078247 21.16510 
1 1 1   -8   11   14 o  457.018   16.835  271.613   19.930  263.700   30.226  277.700   26.509  448.291   26.143  461.423   22.179 -13.13199 34.28378 
1 1 1   -8   11   15 o   72.948   25.102   6.3304   5.7410   3.9140   8.2107   8.6416   8.0302   73.537   29.087   85.501   29.672 -11.96408 41.55140 
1 1 1   -8   11   16 o  511.112   10.319  338.937   13.661  333.880   19.846  343.490   18.834  506.773   15.119  514.136   14.142 -7.362671 20.70194 
1 1 1   -8   11   17 o  345.759   15.730  155.525   14.088   0.0000   0.0000  155.525   14.088  ?   ?   345.759   15.730 0.000000 15.72983 
1 1 1   -8   11   18 o  680.763   10.734  601.585   18.928  619.379   27.811  586.230   25.835  689.897   15.562  671.323   14.857 18.57416 21.51565 
1 1 1   -8   11   19 o  107.072   25.528   15.653   6.9804   20.989   10.245   11.029   9.5365  123.639   31.807   94.813   32.360 28.82565 45.37498 
1 1 1   -8   11   20 o  453.289   10.800  266.863   12.681  269.963   18.589  264.166   17.343  455.193   15.766  450.428   14.864 4.765076 21.66799 
1 1 1   -8   11   21 o  424.479   15.233  234.829   16.749   0.0000   0.0000  234.829   16.749  ?   ?   424.479   15.233 0.000000 15.23324 
1 1 1   -8   11   22 o  131.880   26.610   23.802   8.7768   34.710   12.544   13.340   12.285  158.673   31.630  104.611   36.678 54.06132 48.43268 
1 1 1   -8   11   23 o  116.256   25.921   18.600   7.6067   17.254   10.880   19.887   10.639  112.530   34.255  119.703   33.168 -7.173279 47.68158 
1 1 1   -8   11   24 o  259.816   23.850   90.219   15.872   84.950   25.817   93.420   20.125  244.282   42.334  262.050   30.201 -17.76741 52.00243 
1 1 1   -8   11   25 f   49.380   22.764  -4.9902   6.7583 -14.7817   9.3026   5.9538   9.8348   49.034   23.749   81.727   31.987 -32.69279 39.83916 
1 1 1   -8   11   26 o   42.711   20.039  -5.5798   5.6099 -10.7907   7.2170   2.3758   8.9173   43.962   21.201   71.133   29.501 -27.17054 36.32898 
1 1 1   -8   11   27 o  213.410   15.039   60.169   8.2605   61.460   12.165   59.064   11.253  213.224   22.357  209.494   21.020 3.729904 30.68721 
1 1 1   -8   11   28 o   48.989   22.327  -3.5588   6.2563  -0.2934   8.4555  -7.5092   9.3002   63.901   27.685   56.266   26.201 7.634464 38.11817 
1 1 1   -8   11   29 o  122.111   23.622   20.823   7.2015   21.250   10.220   20.403   10.150  120.731   32.118  118.329   32.237 2.402031 45.50614 
1 1 1   -8   11   30 o  163.849   18.374   36.283   7.6638   28.946   10.804   43.713   10.872  141.157   30.445  177.457   24.290 -36.30072 38.94702 
1 1 1   -8   11   31 o  162.433   18.565   35.835   7.6708   34.960   10.509   36.834   11.222  156.630   26.870  160.228   28.062 -3.598373 38.85181 
1 1 1   -8   11   32 o  101.191   27.062   14.951   7.2311   6.7630   10.692   21.854   9.8169   82.344   32.988  120.715   31.177 -38.37088 45.38987 
1 1 1   -8   11   33 o   38.769   19.215 -15.9196   7.2750 -13.8408   9.3551 -19.1000   11.571   48.727   23.651   52.163   25.533 -3.436348 34.80379 
1 1 1   -8   11   34 o   68.058   27.831   3.8571   7.7900   11.460   14.199   0.5830   9.3176   94.693   37.988   66.066   28.838 28.62647 47.69370 
1 1 1   -8   11   35 o  112.695   29.676   19.676   8.7823   13.254   10.474   34.880   16.117   93.880   33.770  140.684   41.432 -46.80421 53.45094 
1 1 1   -8   11   36 o  208.196   18.366   60.180   9.8031   61.484   11.458   56.620   18.938  207.855   21.596  178.993   41.631 28.86211 46.89910 
1 1 1   -8   11   37 o  126.020   27.634   24.533   8.7720   29.002   9.9697   9.2110   18.459  136.132   29.152   92.215   40.412 43.91613 49.82946 
1 1 1   -8   11   38 o  215.303   15.928   63.897   8.8201   68.120   12.961   60.255   12.037  214.821   23.686  202.232   23.411 12.58823 33.30362 
1 1 1   -8   11   39 o   66.345   27.473   4.3849   7.7159   8.8164   11.278   0.4853   10.579   80.874   33.327   66.133   29.691 14.74165 44.63431 
1 1 1   -8   11   40 o  120.493   28.658   24.029   8.8140   13.820   12.443   34.311   12.487   89.173   35.636  137.285   35.006 -48.11279 49.95355 
1 1 1   -8   11   41 o   75.197   30.783   8.2508   9.5436  -5.5732   12.257   29.540   15.210   60.889   28.884  114.836   40.760 -53.94704 49.95661 
1 1 1   -8   11   42 o   70.238   31.741   3.8712   12.320   3.8712   12.320   0.0000   0.0000   70.238   31.741  ?   ?  0.000000 31.74056 
1 1 1   -8   11   43 o  131.365   32.738   32.806   11.100   54.780   22.658   25.868   12.732  129.032   49.056  107.375   37.358 21.65651 61.66107 
1 1 1   -8   11   44 o   73.518   29.824   9.4074   8.8579   9.6680   13.039   9.1841   12.070   75.497   33.487   74.391   32.638 1.105629 46.76141 
1 1 1   -8   11   45 o   66.600   28.151   6.9146   8.3573   12.359   12.767   2.8327   11.055   76.921   33.662   63.280   29.152 13.64096 44.53013 
1 1 1   -8   11   46 o   89.737   32.144   18.450   9.4800   8.8575   13.662   27.357   13.165   69.923   32.281   98.421   37.399 -28.49828 49.40412 
1 1 1   -8   12    1 o  270.226   16.378   95.200   11.410   0.0000   0.0000   95.200   11.410  ?   ?   270.226   16.378 0.000000 16.37776 
1 1 1   -8   12    2 o  420.447   10.362  229.223   11.285  225.997   15.855  232.536   16.066  417.229   14.670  423.223   14.655 -5.994141 20.73626 
1 1 1   -8   12    3 o  994.084   12.166  1281.98   31.328  1315.53   45.426  1251.54   43.262  1006.14   17.430  981.443   17.017 24.70001 24.35957 
1 1 1   -8   12    4 o  438.923   12.628  249.958   14.357  253.500   27.691  248.656   16.790  440.298   24.375  437.633   14.811 2.665680 28.52213 
1 1 1   -8   12    5 o  1037.66   12.503  1396.98   33.607  1383.00   68.918  1401.34   38.494  1029.52   25.843  1039.00   14.303 -9.482910 29.53732 
1 1 1   -8   12    6 o  623.438   10.791  504.055   17.427  559.900   40.017  490.986   19.359  655.443   23.570  615.194   12.148 40.24872 26.51640 
1 1 1   -8   12    7 o  524.055   12.089  356.290   16.410   0.0000   0.0000  356.290   16.410  ?   ?   524.055   12.089 0.000000 12.08911 
1 1 1   -8   12    8 o  488.146   13.970  309.325   17.664   0.0000   0.0000  309.325   17.664  ?   ?   488.146   13.970 0.000000 13.96986 
1 1 1   -8   12    9 o  553.665   10.479  397.552   15.029  348.900   31.687  411.672   17.071  517.271   23.649  563.319   11.699 -46.04816 26.38486 
1 1 1   -8   12   10 o  808.476   12.711  848.290   26.619   0.0000   0.0000  848.290   26.619  ?   ?   808.476   12.711 0.000000 12.71101 
1 1 1   -8   12   11 o  505.978   11.616  332.172   15.224   0.0000   0.0000  332.172   15.224  ?   ?   505.978   11.616 0.000000 11.61555 
1 1 1   -8   12   12 o  419.097   14.196  228.128   15.411   0.0000   0.0000  228.128   15.411  ?   ?   419.097   14.196 0.000000 14.19598 
1 1 1   -8   12   13 o  110.156   38.661   14.304   13.651   0.3490   22.821   22.080   17.034  107.802   46.076  131.277   43.228 -23.47504 63.17955 
1 1 1   -8   12   14 o  293.810   11.656  112.045   8.8709  107.648   12.809  116.098   12.297  287.100   17.305  298.374   15.969 -11.27310 23.54704 
1 1 1   -8   12   15 o  571.680   10.449  424.067   15.474  432.518   22.511  416.497   21.305  576.769   15.068  566.063   14.530 10.70599 20.93224 
1 1 1   -8   12   16 o  423.056   15.893  232.882   17.416  232.882   17.416   0.0000   0.0000  423.056   15.893  ?   ?  0.000000 15.89313 
1 1 1   -8   12   17 f  667.837   10.846  579.009   18.762  580.181   27.097  577.929   26.004  667.659   15.668  666.486   15.062 1.173096 21.73418 
1 1 1   -8   12   18 o  383.132   15.199  191.079   15.084   0.0000   0.0000  191.079   15.084  ?   ?   383.132   15.199 0.000000 15.19917 
1 1 1   -8   12   19 o  476.690   10.822  295.136   13.363  292.200   19.259  297.862   18.556  473.573   15.700  478.267   14.979 -4.693329 21.69868 
1 1 1   -8   12   20 o  359.426   11.488  167.915   10.696  164.070   15.770  171.191   14.555  354.508   17.173  362.385   15.506 -7.876801 23.13766 
1 1 1   -8   12   21 o  158.618   20.932   33.570   8.3904   41.510   13.063   27.995   10.947  174.365   30.006  142.420   30.586 31.94521 42.84697 
1 1 1   -8   12   22 o  380.650   20.936  191.100   20.563   0.0000   0.0000  191.100   20.563  ?   ?   380.650   20.936 0.000000 20.93568 
1 1 1   -8   12   23 o  196.894   15.487   51.007   7.8350   53.500   10.542   47.930   11.711  200.510   20.590  188.593   24.554 11.91740 32.04445 
1 1 1   -8   12   24 o  227.595   25.146   69.894   14.577   41.210   25.078   84.530   17.914  166.324   52.245  249.305   28.238 -82.98094 59.38828 
1 1 1   -8   12   25 o  144.876   20.546   28.343   7.4943   23.997   10.694   32.537   10.506  129.952   31.984  153.202   27.484 -23.25011 42.17032 
1 1 1   -8   12   26 o   96.626   26.481   13.060   6.8249   10.281   9.4909   16.035   9.8211   90.725   32.198  106.846   32.551 -16.12117 45.78487 
1 1 1   -8   12   27 o  320.796   16.233  136.230   13.445   0.0000   0.0000  136.230   13.445  ?   ?   320.796   16.233 0.000000 16.23344 
1 1 1   -8   12   28 o  306.872   12.411  123.524   9.8654  123.974   14.307  123.117   13.622  304.724   18.209  304.075   17.366 0.6491394 25.16234 
1 1 1   -8   12   29 o   41.787   20.135  -9.3493   6.4786 -21.7371   8.9846   4.0685   9.3506   41.899   20.865   74.788   30.526 -32.88903 36.97562 
1 1 1   -8   12   30 o  227.565   14.488   68.787   8.4954   67.572   12.447   69.847   11.624  222.031   21.928  226.807   19.990 -4.776474 29.67237 
1 1 1   -8   12   31 o  254.581   12.430   85.463   8.1971   92.095   11.907   79.487   11.302  261.371   17.691  242.507   18.123 18.86325 25.32575 
1 1 1   -8   12   32 o  289.310   16.328  112.592   12.186  122.900   16.854  101.300   17.640  297.882   21.998  267.081   25.821 30.80118 33.92098 
1 1 1   -8   12   33 o  160.470   23.431   36.688   9.4525   28.021   11.036   60.550   18.312  134.655   32.096  194.483   37.712 -59.82773 49.52099 
1 1 1   -8   12   34 o  129.607   23.772   24.401   7.6867   23.086   10.934   25.685   10.808  119.959   33.763  127.384   32.615 -7.425087 46.94295 
1 1 1   -8   12   35 o  204.839   15.812   57.205   8.3247   60.102   11.293   53.756   12.320  205.763   21.505  191.223   25.509 14.54041 33.36461 
1 1 1   -8   12   36 f  108.835   29.296   18.704   8.4418   17.129   9.8622   23.020   16.327  102.488   32.829  112.549   41.886 -10.06047 53.21843 
1 1 1   -8   12   37 o   61.967   27.304   0.5786   8.5284   1.1376   10.403  -0.5674   14.894   67.799   29.999   75.089   34.310 -7.290016 45.57544 
1 1 1   -8   12   38 o   56.028   26.061  -4.4105   9.1591   6.1833   10.672 -34.0400   17.847   75.759   31.905   57.478   28.744 18.28064 42.94351 
1 1 1   -8   12   39 o   47.197   22.361  -6.0007   7.3018  -5.7389   9.3299  -6.4147   11.730   54.347   25.605   60.192   28.466 -5.844864 38.28775 
1 1 1   -8   12   40 o   80.061   30.868   10.389   9.0535   11.268   10.997   8.5390   15.948   82.749   33.349   81.986   36.656 0.7633133 49.55609 
1 1 1   -8   12   41 o  165.237   27.047   44.877   11.176   51.190   14.447   35.470   17.635  165.540   34.797  118.255   43.626 47.28512 55.80338 
1 1 1   -8   12   42 o   55.591   27.417 -16.0558   14.172  -9.0950   20.807 -22.0800   19.357   69.429   34.038   61.294   30.539 8.135841 45.72984 
1 1 1   -8   12   43 o   49.444   23.385  -4.2649   7.9179  -5.5225   11.651  -3.1858   10.793   57.317   27.457   57.805   27.328 -0.4877777 38.73897 
1 1 1   -8   12   44 o   66.602   28.420   6.4720   8.6570   10.771   11.636   1.1411   12.957   75.493   32.592   64.530   30.332 10.96307 44.52294 
1 1 1   -8   12   45 o   68.629   29.042   8.2968   8.9104  -3.3522   12.431   20.607   12.779   58.139   27.983   88.448   35.842 -30.30907 45.47187 
1 1 1   -8   13    1 o  877.474   11.760  998.808   26.730  1036.39   38.935  965.304   36.763  893.084   16.831  861.972   16.465 31.11176 23.54506 
1 1 1   -8   13    2 o  976.828   12.257  1237.98   31.014  1257.04   44.586  1220.11   43.169  983.431   17.503  968.935   17.200 14.49591 24.53940 
1 1 1   -8   13    3 o  451.543   11.407  264.472   13.342  279.223   19.881  252.384   17.997  463.576   16.556  440.800   15.762 22.77631 22.85911 
1 1 1   -8   13    4 o  1043.02   14.529  1412.48   39.255  1431.00   68.212  1403.32   47.999  1047.23   25.146  1038.97   17.835 8.263916 30.82886 
1 1 1   -8   13    5 o  567.232   13.906  417.683   20.432   0.0000   0.0000  417.683   20.432  ?   ?   567.232   13.906 0.000000 13.90592 
1 1 1   -8   13    6 o  452.512   13.652  265.809   16.002   0.0000   0.0000  265.809   16.002  ?   ?   452.512   13.652 0.000000 13.65162 
1 1 1   -8   13    7 o  200.361   14.660   52.411   7.5555   54.180   20.582   52.135   8.1225  198.893   41.302  199.699   15.832 -0.8059998 44.23218 
1 1 1   -8   13    8 o  256.309   14.809   85.609   9.7898   27.860   20.802  102.038   11.095  146.628   47.745  279.837   15.365 -133.2099 50.15688 
1 1 1   -8   13    9 o  207.730   15.419   56.374   8.2374   0.0000   0.0000   56.374   8.2374  ?   ?   207.730   15.419 0.000000 15.41884 
1 1 1   -8   13   10 o  407.974   16.409  216.390   17.341   0.0000   0.0000  216.390   17.341  ?   ?   407.974   16.409 0.000000 16.40940 
1 1 1   -8   13   11 o  878.448   13.695  1002.21   31.162  846.800   52.959  1084.52   38.540  804.744   25.406  913.279   16.291 -108.5353 30.18054 
1 1 1   -8   13   12 o  364.118   19.164  173.174   18.011  142.500   27.609  195.900   23.764  327.338   33.012  386.477   23.855 -59.13892 40.72930 
1 1 1   -8   13   13 o  539.773   12.485  378.329   17.456  353.700   34.258  386.967   20.288  519.789   25.444  545.673   14.353 -25.88354 29.21302 
1 1 1   -8   13   14 o  278.813   12.071  100.942   8.7178  100.863   12.475  101.018   12.188  277.777   17.426  278.052   17.004 -0.2746582 24.34728 
1 1 1   -8   13   15 o  359.336   11.308  167.642   10.525  161.081   15.201  173.684   14.588  351.729   16.684  365.372   15.414 -13.64243 22.71455 
1 1 1   -8   13   16 o  194.768   15.332   49.672   7.6724   48.073   11.343   51.019   10.417  190.177   23.529  196.532   20.777 -6.354889 31.38906 
1 1 1   -8   13   17 o  187.529   15.472   46.099   7.4484   58.785   11.028   35.458   10.100  211.097   20.424  162.564   24.769 48.53226 32.10323 
1 1 1   -8   13   18 o  103.100   25.131   14.532   6.6505   14.261   9.3577   14.807   9.4534  103.507   31.817  105.183   31.911 -1.676399 45.06300 
1 1 1   -8   13   19 o  533.785   10.842  370.215   14.990  353.083   21.409  386.694   20.996  520.328   15.884  544.760   14.880 -24.43262 21.76467 
1 1 1   -8   13   20 o  191.672   17.122   48.383   8.4112   46.080   13.023   50.032   11.017  184.427   28.153  193.831   22.353 -9.403488 35.94812 
1 1 1   -8   13   21 f  282.409   14.585  104.340   10.633  109.711   13.957   96.910   16.414  288.676   18.767  269.904   23.718 18.77240 30.24477 
1 1 1   -8   13   22 o  120.476   23.927   19.872   7.2036  -0.0433   9.7732   43.563   10.659   70.013   30.044  179.998   23.416 -109.9855 38.09172 
1 1 1   -8   13   23 o  284.724   21.479  107.871   15.724   92.960   27.916  114.800   19.031  253.702   44.079  292.261   25.390 -38.55960 50.86884 
1 1 1   -8   13   24 o  268.037   13.758   94.269   9.5199   88.496   13.709   99.646   13.230  257.558   20.724  274.101   18.746 -16.54227 27.94465 
1 1 1   -8   13   25 o  133.193   22.277   24.287   7.4144   24.492   10.178   24.054   10.823  131.216   30.521  129.549   32.349 1.667297 44.47467 
1 1 1   -8   13   26 o  185.396   16.539   45.750   7.8591   38.444   10.833   53.867   11.419  166.526   25.960  199.124   22.536 -32.59763 34.37728 
1 1 1   -8   13   27 o  216.138   15.190   61.936   8.4504   60.760   12.265   62.999   11.660  211.067   22.795  215.705   21.139 -4.638123 31.08827 
1 1 1   -8   13   28 o  163.661   17.894   36.083   7.4622   43.824   11.478   30.416   9.8210  177.175   25.765  146.619   26.848 30.55618 37.21103 
1 1 1   -8   13   29 o  190.523   16.422   48.624   8.0251   58.377   11.377   38.965   11.322  206.516   21.586  165.579   27.353 40.93764 34.84474 
1 1 1   -8   13   30 o  216.325   15.470   62.555   8.6111   59.444   12.391   65.460   11.975  206.704   23.564  218.263   21.459 -11.55940 31.87077 
1 1 1   -8   13   31 o  135.583   21.416   25.716   7.2717   36.870   10.141   13.913   10.432  160.800   25.173   97.992   33.831 62.80808 42.16922 
1 1 1   -8   13   32 o  142.592   21.631   28.643   7.7389   24.690   11.071   32.420   10.822  125.724   33.421  147.226   29.407 -21.50201 44.51638 
1 1 1   -8   13   33 o   74.402   32.937   0.6672   12.555  -3.3880   19.112   3.7460   16.653   83.224   38.335   86.479   38.126 -3.255219 54.06640 
1 1 1   -8   13   34 o   68.057   25.986   5.5137   6.3751   14.986   8.2825  -8.2567   9.9863   98.227   29.885   55.586   26.281 42.64136 39.79698 
1 1 1   -8   13   35 o  103.107   26.475   16.278   7.1074   25.344   10.347   8.1794   9.7795  125.345   31.815   80.251   31.744 45.09469 44.94280 
1 1 1   -8   13   36 o   72.503   28.356   6.5284   7.7248   17.621   10.628  -5.8936   11.247  102.449   34.165   61.105   28.574 41.34358 44.53887 
1 1 1   -8   13   37 o  102.356   28.527   16.863   7.8462   15.280   10.476   18.885   11.842   95.330   33.828  103.349   36.024 -8.018822 49.41676 
1 1 1   -8   13   38 o  159.498   23.714   38.427   9.4993   41.879   10.643   24.900   21.068  164.527   25.822  106.761   44.889 57.76585 51.78593 
1 1 1   -8   13   39 o  111.398   35.389   23.568   11.478   23.568   11.478   0.0000   0.0000  111.398   35.389  ?   ?  0.000000 35.38918 
1 1 1   -8   13   40 o   71.349   29.691   6.7813   9.0762   7.2830   11.715   6.0280   14.355   75.232   32.591   76.281   34.386 -1.049126 47.37678 
1 1 1   -8   13   41 o   58.752   27.774  -4.0330   11.147  -5.2950   14.960  -2.4580   16.713   64.679   31.018   69.340   33.127 -4.661201 45.38226 
1 1 1   -8   13   42 o   72.797   30.961   8.2637   10.213   17.350   21.034   5.4609   11.682   85.988   39.823   69.812   31.281 16.17610 50.63956 
1 1 1   -8   13   43 o   59.705   26.979   1.9419   8.8994  -7.3258   12.519   11.411   12.654   56.835   27.533   77.247   33.666 -20.41195 43.49057 
1 1 1   -8   13   44 o   71.267   28.997   9.2972   8.4035   7.3196   12.651   10.859   11.242   69.792   31.785   74.239   32.044 -4.446548 45.13420 
1 1 1   -8   13   45 o   68.557   28.725   8.8988   8.5788   22.662   11.744  -6.8451   12.561   92.518   35.283   54.710   26.742 37.80753 44.27272 
1 1 1   -8   14    1 o  271.588   17.431   96.289   12.198  107.900   18.426   87.230   16.275  286.425   25.088  257.370   24.717 29.05585 35.21839 
1 1 1   -8   14    2 o  252.696   17.926   83.454   11.658   79.660   16.440   87.290   16.533  245.566   26.253  257.382   25.118 -11.81546 36.33359 
1 1 1   -8   14    3 o  429.311   12.313  239.174   13.693  243.847   17.457  231.700   22.076  433.233   15.556  421.854   20.203 11.37894 25.49762 
1 1 1   -8   14    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   14    5 o  503.877   10.558  329.319   13.781  305.021   19.497  353.578   19.481  484.513   15.535  521.771   14.414 -37.25870 21.19196 
1 1 1   -8   14    6 o  225.570   13.197   66.281   7.6771   93.220   21.812   62.472   8.2019  264.474   32.524  218.829   14.553 45.64561 35.63154 
1 1 1   -8   14    7 o  192.428   14.660   48.380   7.2521   44.870   20.473   48.884   7.7550  180.173   44.200  193.320   15.620 -13.14748 46.87904 
1 1 1   -8   14    8 f  217.453   22.788   62.367   12.645   0.0000   0.0000   62.367   12.645  ?   ?   217.453   22.788 0.000000 22.78785 
1 1 1   -8   14    9 o  159.280   19.631   33.542   7.9280   0.0000   0.0000   33.542   7.9280  ?   ?   159.280   19.631 0.000000 19.63092 
1 1 1   -8   14   10 o   98.015   27.518   12.940   7.2730 -50.0800   25.183   18.675   7.5967   75.703   37.181  117.223   25.725 -41.51994 45.21240 
1 1 1   -8   14   11 o  415.356   17.977  224.651   19.341  216.700   29.563  230.600   25.573  405.374   28.333  419.350   23.639 -13.97565 36.89926 
1 1 1   -8   14   12 o  258.645   15.379   87.308   10.257   58.060   25.098   93.173   11.238  203.686   48.302  267.095   16.322 -63.40881 50.98525 
1 1 1   -8   14   13 o  398.634   11.546  206.327   11.922  176.200   29.283  212.313   13.052  364.220   31.344  404.291   12.464 -40.07141 33.73095 
1 1 1   -8   14   14 o   90.381   27.808   10.749   7.1459   23.860   21.263   9.0793   7.5872  138.644   48.274   85.739   28.866 52.90472 56.24643 
1 1 1   -8   14   15 o  303.883   15.113  120.195   11.896   83.920   28.706  127.715   13.071  245.151   46.915  312.721   16.192 -67.56967 49.63008 
1 1 1   -8   14   16 o  436.549   10.796  247.501   12.208  241.730   17.555  252.905   16.988  430.767   15.733  440.747   14.880 -9.979279 21.65459 
1 1 1   -8   14   17 o  358.384   11.365  166.901   10.550  164.509   15.871  168.794   14.122  355.040   17.257  359.950   15.147 -4.909363 22.96168 
1 1 1   -8   14   18 o  374.124   11.225  181.930   10.878  178.318   15.588  185.358   15.187  369.665   16.279  377.016   15.551 -7.350403 22.51335 
1 1 1   -8   14   19 o  116.311   24.915   18.521   7.2802   22.210   11.446   16.015   9.4346  126.476   34.142  108.358   31.640 18.11744 46.54805 
1 1 1   -8   14   20 o  448.483   13.905  262.311   16.154  254.100   22.405  271.200   23.311  439.895   19.663  454.410   19.805 -14.51556 27.90796 
1 1 1   -8   14   21 o   57.670   24.865  -0.4406   6.7544   2.7478   9.7355  -3.3996   9.3788   75.066   30.952   63.050   28.156 12.01593 41.84235 
1 1 1   -8   14   22 o  126.266   29.714   22.330   9.5568   38.455   11.320 -17.6700   17.830  167.516   27.007   74.691   35.253 92.82436 44.40927 
1 1 1   -8   14   23 o  300.423   16.319  118.965   12.652   66.520   27.921  132.516   14.193  207.764   52.004  316.760   17.364 -108.9955 54.82606 
1 1 1   -8   14   24 o   58.722   25.112   0.2019   6.7856  -4.2861   9.7518   4.4145   9.4479   62.524   28.249   76.785   30.922 -14.26052 41.88288 
1 1 1   -8   14   25 o  233.590   13.909   71.915   8.3780   65.737   11.425   79.101   12.322  221.183   20.163  242.946   19.752 -21.76288 28.22547 
1 1 1   -8   14   26 o  191.984   16.155   49.081   7.9594   51.283   11.746   47.211   10.823  193.209   23.987  185.712   22.990 7.497833 33.22462 
1 1 1   -8   14   27 o  222.948   13.929   65.750   8.0038   66.340   11.685   65.229   10.985  221.245   20.627  219.890   19.489 1.354660 28.37777 
1 1 1   -8   14   28 o   95.621   33.507   12.445   10.251   12.445   10.251   0.0000   0.0000   95.621   33.507  ?   ?  0.000000 33.50660 
1 1 1   -8   14   29 o   87.403   27.070   10.827   6.7590   18.017   10.274   5.3402   8.9748  109.911   33.249   75.816   30.277 34.09507 44.96879 
1 1 1   -8   14   30 o   48.234   21.846  -2.6037   5.8734  -5.0618   8.7244  -0.5661   7.9431   56.216   25.897   60.372   26.482 -4.156250 37.04002 
1 1 1   -8   14   31 o   89.058   30.639   11.334   8.5531   0.0856   11.474   25.400   12.831   71.765   31.643  125.770   36.947 -54.00529 48.64546 
1 1 1   -8   14   32 o   52.186   24.235  -5.1543   7.8692   1.1236   9.7393 -16.9600   13.356   68.030   29.593   58.618   28.407 9.412086 41.02105 
1 1 1   -8   14   33 o   98.387   30.765   15.072   8.7066  -6.5120   21.273   19.416   9.5425   83.187   39.026  110.604   31.684 -27.41656 50.26851 
1 1 1   -8   14   34 o   97.568   27.818   14.735   7.3734   7.5444   10.246   22.460   10.620   79.712   32.166  116.803   33.413 -37.09086 46.37987 
1 1 1   -8   14   35 o   43.241   20.977 -10.3279   7.3336 -14.8918   10.474  -5.9381   10.272   50.426   24.598   58.318   27.282 -7.892139 36.73397 
1 1 1   -8   14   36 o   76.516   27.626   8.5420   7.0172   9.6564   9.6367   7.2843   10.238   81.882   31.769   77.627   31.843 4.255074 44.98064 
1 1 1   -8   14   37 o   48.426   22.806  -5.4611   7.3862   2.8350   9.8585 -16.0768   11.152   68.022   29.678   50.791   24.904 17.23048 38.74322 
1 1 1   -8   14   38 o  117.235   31.271   23.800   9.6711   27.103   12.082   17.910   16.134  119.755   36.019   96.077   39.751 23.67765 53.64288 
1 1 1   -8   14   39 o   92.426   34.365   16.183   10.985   16.183   10.985   0.0000   0.0000   92.426   34.365  ?   ?  0.000000 34.36493 
1 1 1   -8   14   40 f   96.539   36.333   19.710   12.353   36.580   15.248 -12.5000   21.069  126.027   40.869   68.773   33.823 57.25384 53.04966 
1 1 1   -8   14   41 o   44.740   21.964 -11.9142   8.7577  -8.0808   9.6488 -29.8400   20.865   50.623   24.438   59.751   30.047 -9.128616 38.73048 
1 1 1   -8   14   42 o   52.545   25.174  -5.8090   9.8001  -5.7160   18.946  -5.8429   11.451   67.102   32.809   56.188   26.997 10.91402 42.48828 
1 1 1   -8   14   43 o   95.234   31.277   18.713   8.9196   12.557   11.825   26.837   13.586   77.539   33.155  100.896   38.075 -23.35704 50.48715 
1 1 1   -8   14   44 o   68.177   28.968   8.3393   8.9240   2.1225   12.624   14.549   12.617   62.803   29.649   77.776   33.758 -14.97308 44.92931 
1 1 1   -8   15    1 o  648.791   10.556  546.039   17.740  573.314   25.844  521.737   24.396  664.254   15.020  633.692   14.862 30.56146 21.13061 
1 1 1   -8   15    2 o  410.744   11.026  218.889   11.731  212.503   17.148  224.507   16.083  404.280   16.375  415.677   14.937 -11.39685 22.16412 
1 1 1   -8   15    3 o  263.526   13.571   90.423   9.2320   86.360   13.639   93.857   12.542  256.604   20.696  267.944   18.177 -11.34015 27.54544 
1 1 1   -8   15    4 o  507.737   10.799  334.465   14.202  306.605   20.081  362.347   20.089  485.634   15.963  528.089   14.686 -42.45517 21.69113 
1 1 1   -8   15    5 o  616.167   10.854  492.598   17.324  501.299   25.306  484.923   23.767  620.976   15.732  610.850   15.021 10.12573 21.75142 
1 1 1   -8   15    6 o  332.662   14.661  143.806   12.633  127.800   24.027  149.922   14.852  310.515   30.257  339.477   16.890 -28.96252 34.65142 
1 1 1   -8   15    7 o  862.684   13.115  966.540   29.307   0.0000   0.0000  966.540   29.307  ?   ?   862.684   13.115 0.000000 13.11514 
1 1 1   -8   15    8 o  215.587   15.773   60.765   8.7473   0.0000   0.0000   60.765   8.7473  ?   ?   215.587   15.773 0.000000 15.77344 
1 1 1   -8   15    9 o  106.902   36.621   13.971   12.214   0.0000   0.0000   13.971   12.214  ?   ?   106.902   36.621 0.000000 36.62097 
1 1 1   -8   15   10 o  517.357   16.895  348.450   22.641  330.100   32.827  365.100   31.269  501.317   25.362  528.448   22.843 -27.13116 34.13284 
1 1 1   -8   15   11 o  385.364   11.722  192.842   11.701  205.100   27.904  190.227   12.889  394.189   27.501  382.627   13.005 11.56268 30.42063 
1 1 1   -8   15   12 o   75.492   28.209   5.7009   7.4202   25.760   23.393   3.4568   7.8243  144.252   50.611   71.007   28.297 73.24429 57.98489 
1 1 1   -8   15   13 o  223.938   16.166   65.649   9.3145   50.170   25.994   67.929   9.9771  188.330   51.708  227.680   17.041 -39.34937 54.44395 
1 1 1   -8   15   14 o  488.618   13.279  310.475   16.807  273.800   33.757  322.562   19.379  454.583   28.817  497.755   15.030 -43.17200 32.50151 
1 1 1   -8   15   15 o  686.035   11.310  611.501   20.099  585.700   44.325  618.179   22.550  667.024   25.654  689.501   12.626 -22.47760 28.59274 
1 1 1   -8   15   16 o  736.918   13.346  706.725   25.475  698.500   48.967  709.778   29.830  727.758   25.976  737.856   15.608 -10.09845 30.30396 
1 1 1   -8   15   17 o  292.961   12.430  111.670   9.4327  114.059   13.592  109.450   13.101  294.832   17.882  288.851   17.594 5.980713 25.08627 
1 1 1   -8   15   18 o  374.699   12.261  182.744   11.900  216.400   20.233  164.945   14.714  406.279   19.226  355.367   15.985 50.91122 25.00336 
1 1 1   -8   15   19 o  166.138   20.313   36.811   8.5596   30.084   11.530   45.070   12.776  147.177   31.212  181.982   28.000 -34.80519 41.93082 
1 1 1   -8   15   20 o  326.522   12.342  138.978   10.438  128.415   15.199  148.408   14.361  311.978   18.897  336.574   16.472 -24.59555 25.06853 
1 1 1   -8   15   21 o  227.304   15.010   67.942   8.7882   83.526   13.027   54.924   11.906  250.678   20.234  202.072   23.164 48.60570 30.75672 
1 1 1   -8   15   22 o  291.238   24.499  114.314   18.310  108.300   28.012  118.800   24.195  274.466   40.628  292.764   32.451 -18.29822 51.99709 
1 1 1   -8   15   23 o  240.746   13.719   76.224   8.5198   66.472   13.016   83.535   11.270  221.688   23.000  250.914   17.448 -29.22632 28.86961 
1 1 1   -8   15   24 o  176.408   16.043   41.390   7.2506   34.214   11.355   46.329   9.4211  155.550   29.257  185.455   19.924 -29.90494 35.39657 
1 1 1   -8   15   25 o  206.568   14.237   56.447   7.5712   54.669   11.176   57.955   10.293  200.464   21.877  207.509   19.374 -7.045471 29.22281 
1 1 1   -8   15   26 o   91.627   27.109   11.854   6.8856   24.761   10.581   2.3742   9.0683  130.049   31.699   70.572   29.549 59.47687 43.33585 
1 1 1   -8   15   27 o  100.043   26.258   14.360   6.8906   17.557   10.149   11.626   9.3851  109.297   33.044   92.522   32.080 16.77478 46.05446 
1 1 1   -8   15   28 o  181.191   16.264   44.102   7.5520   42.243   10.370   46.201   11.020  173.942   23.626  181.825   23.984 -7.882858 33.66623 
1 1 1   -8   15   29 o  200.870   16.253   54.313   8.3843   48.615   12.092   59.590   11.636  184.694   25.994  207.311   22.005 -22.61691 34.05695 
1 1 1   -8   15   30 o  132.452   26.196   25.596   8.6691   15.140   11.358   40.190   13.418  100.787   35.271  161.965   33.100 -61.17857 48.37029 
1 1 1   -8   15   31 o   74.150   27.779   6.8637   7.2047   13.916   10.581   0.7666   9.8379   96.351   34.017   67.775   29.607 28.57603 45.09707 
1 1 1   -8   15   32 o  157.153   36.645   40.785   14.643   51.850   22.890   33.120   19.051  161.236   49.795  132.389   45.717 28.84706 67.59890 
1 1 1   -8   15   33 o   58.735   25.297   1.1165   6.9758  -5.7456   9.3796   9.6101   10.435   56.148   26.202   84.336   32.965 -28.18752 42.10967 
1 1 1   -8   15   34 o   97.102   29.027   14.936   7.8643  -3.0839   11.124   32.939   11.119   64.133   29.433  143.559   30.822 -79.42644 42.61805 
1 1 1   -8   15   35 o   45.670   21.290  -4.1783   6.1679  -2.9055   8.8161  -5.3985   8.6322   57.238   26.244   53.364   24.979 3.874413 36.23099 
1 1 1   -8   15   36 o  107.432   27.955   18.621   7.8542   18.343   11.160   18.894   11.056  101.541   34.995  103.021   34.844 -1.479660 49.38365 
1 1 1   -8   15   37 o   68.655   29.065   4.6841   8.9303   9.0552   11.543  -1.8320   14.094   80.306   33.457   69.570   32.349 10.73616 46.53842 
1 1 1   -8   15   38 f   75.481   29.664   8.7014   8.4879   17.725   11.326  -2.8580   12.820   96.075   35.035   64.880   30.392 31.19555 46.38015 
1 1 1   -8   15   39 o  105.609   29.626   19.861   8.4338   25.787   10.964   11.273   13.200  114.948   34.252   81.419   34.927 33.52940 48.91938 
1 1 1   -8   15   40 o   69.084   32.268   1.7770   14.275   1.7770   14.275   0.0000   0.0000   69.084   32.268  ?   ?  0.000000 32.26767 
1 1 1   -8   15   41 o   68.245   30.970   4.7407   11.876   10.420   19.693   1.4950   14.887   78.674   37.108   68.135   32.176 10.53930 49.11465 
1 1 1   -8   15   42 o   61.194   28.371   1.1843   10.720 -14.7830   12.797   38.750   19.628   51.765   25.626  105.337   43.735 -53.57151 50.68938 
1 1 1   -8   15   43 o   65.264   28.147   6.6176   8.6601   4.6620   12.179   8.6180   12.317   65.484   30.318   70.286   31.752 -4.801712 43.90184 
1 1 1   -8   15   44 o   36.894   18.469 -14.7134   7.4561 -17.5954   9.4837 -10.0487   12.065   40.989   20.563   51.193   25.257 -10.20374 32.56942 
1 1 1   -8   16    1 o  746.536   11.079  723.265   21.424  726.481   30.713  720.216   29.899  747.404   15.864  744.242   15.509 3.161743 22.18576 
1 1 1   -8   16    2 o  215.581   16.321   60.799   9.0463   69.200   13.271   53.509   12.364  229.087   22.662  200.871   24.253 28.21628 33.19289 
1 1 1   -8   16    3 o  332.091   18.424  144.082   15.787  144.082   15.787   0.0000   0.0000  332.091   18.424  ?   ?  0.000000 18.42433 
1 1 1   -8   16    4 o  540.565   10.925  379.227   15.297  381.407   22.024  377.194   21.262  541.532   15.701  538.598   15.240 2.934082 21.88107 
1 1 1   -8   16    5 o  734.913   11.303  701.062   21.516  705.896   31.122  696.636   29.779  736.558   16.312  731.834   15.709 4.724304 22.64625 
1 1 1   -8   16    6 o  564.280   12.655  413.571   18.498  413.900   32.063  413.407   22.646  562.886   21.990  563.765   15.508 -0.8795776 26.90839 
1 1 1   -8   16    7 o  278.864   20.213  101.995   14.501   0.0000   0.0000  101.995   14.501  ?   ?   278.864   20.213 0.000000 20.21275 
1 1 1   -8   16    8 o  332.814   18.146  144.781   15.584   0.0000   0.0000  144.781   15.584  ?   ?   332.814   18.146 0.000000 18.14568 
1 1 1   -8   16    9 o  639.717   24.767  536.500   41.041  536.500   41.041   0.0000   0.0000  639.717   24.767  ?   ?  0.000000 24.76734 
1 1 1   -8   16   10 o  447.914   11.147  260.516   12.934  265.000   31.623  259.615   14.173  448.044   27.379  447.019   12.240 1.024963 29.99092 
1 1 1   -8   16   11 o  718.152   11.190  669.806   20.816  648.000   44.787  675.814   23.509  702.669   24.606  721.103   12.586 -18.43390 27.63849 
1 1 1   -8   16   12 o  538.158   11.084  376.173   15.451  350.400   34.123  382.820   17.329  516.222   25.519  542.708   12.327 -26.48615 28.34013 
1 1 1   -8   16   13 o   71.108   27.788   4.1071   7.4141   36.520   25.029   0.9893   7.7625  163.074   52.306   65.103   27.304 97.97095 59.00309 
1 1 1   -8   16   14 o  235.175   15.978   72.447   9.6755   51.350   27.859   75.341   10.318  189.050   54.131  239.721   16.721 -50.67113 56.65429 
1 1 1   -8   16   15 o  151.061   21.962   30.565   8.3419   42.250   23.065   28.807   8.9476  172.164   49.240  145.982   24.532 26.18190 55.01326 
1 1 1   -8   16   16 o  199.095   18.435   52.320   9.3995   43.300   27.931   53.472   9.9817  174.137   55.192  201.093   19.404 -26.95627 58.50331 
1 1 1   -8   16   17 o  217.180   18.199   62.218   10.144   0.0000   0.0000   62.218   10.144  ?   ?   217.180   18.199 0.000000 18.19936 
1 1 1   -8   16   18 o  351.749   17.742  162.627   16.114  103.000   30.507  185.700   18.977  268.439   45.498  375.344   19.586 -106.9057 49.53518 
1 1 1   -8   16   19 o  260.365   13.668   88.766   9.1860   90.232   13.732   87.579   12.358  260.760   20.495  257.406   18.662 3.354218 27.71851 
1 1 1   -8   16   20 o  165.886   18.737   36.714   7.9100   43.213   11.528   30.932   10.874  178.020   25.747  149.011   29.216 29.00847 38.94193 
1 1 1   -8   16   21 o  157.191   39.497   36.190   16.062   50.760   24.979   25.920   20.973  181.247   51.037  136.122   47.911 45.12445 70.00167 
1 1 1   -8   16   22 o  265.957   19.218   94.332   13.150   94.332   13.150   0.0000   0.0000  265.957   19.218  ?   ?  0.000000 19.21792 
1 1 1   -8   16   23 o   61.216   25.438   1.6606   6.6490   4.2217   9.4981  -0.8005   9.3108   76.094   30.878   66.045   28.828 10.04879 42.24329 
1 1 1   -8   16   24 o  146.073   19.842   29.021   7.3133   16.667   10.141   42.409   10.557  107.698   33.124  175.404   23.854 -67.70640 40.81975 
1 1 1   -8   16   25 o  211.957   14.615   59.607   7.9754   58.636   11.058   60.660   11.513  207.704   20.834  211.041   21.355 -3.337036 29.83483 
1 1 1   -8   16   26 o   82.973   26.737   9.4887   6.5340   17.796   9.9345   3.1558   8.6742  109.909   32.572   70.628   29.178 39.28082 43.72987 
1 1 1   -8   16   27 o   67.465   26.290   4.4892   6.6219  -6.0982   9.8737   13.144   8.9272   59.312   27.403   95.789   31.282 -36.47750 41.58706 
1 1 1   -8   16   28 o  224.982   13.924   67.405   8.0746   69.323   11.335   65.429   11.505  225.187   19.629  218.152   20.604 7.035660 28.45745 
1 1 1   -8   16   29 o   56.241   24.516  -0.1690   6.7134 -10.4000   11.100   5.7314   8.4298   57.958   27.492   74.416   29.461 -16.45849 40.29596 
1 1 1   -8   16   30 o  133.894   24.527   26.048   8.1932   9.5897   10.634   50.090   12.852   86.347   33.409  184.203   27.802 -97.85634 43.46351 
1 1 1   -8   16   31 o   93.554   32.159   13.372   9.4217   12.514   11.117   15.560   17.752   92.338   34.523  102.704   42.007 -10.36530 54.37284 
1 1 1   -8   16   32 o   65.223   28.254   1.6133   8.8035  -5.3020   18.630   3.6013   9.9890   78.632   36.772   71.738   30.568 6.894547 47.81821 
1 1 1   -8   16   33 o   94.024   28.605   13.918   7.5882   18.537   11.383   10.223   10.180  104.422   35.356   84.548   32.695 19.87465 48.15585 
1 1 1   -8   16   34 o   68.120   26.273   5.8254   6.5603  -1.2629   9.7972   11.587   8.8328   62.415   28.246   86.170   31.010 -23.75566 41.94618 
1 1 1   -8   16   35 o  125.181   25.331   24.197   7.9317   20.265   11.683   27.559   10.803  105.816   35.819  127.020   32.653 -21.20399 48.46868 
1 1 1   -8   16   36 o   51.169   24.099  -5.4527   8.2510  -2.4967   10.563 -10.0800   13.215   61.474   28.382   60.324   28.989 1.150124 40.56940 
1 1 1   -8   16   37 o  150.446   23.309   34.815   8.7898   27.588   11.101   46.960   14.391  122.240   33.884  159.057   35.794 -36.81686 49.28798 
1 1 1   -8   16   38 o   67.468   28.407   5.5041   8.4560   14.257   11.788  -3.7755   12.137   86.619   34.661   61.613   29.082 25.00676 45.24526 
1 1 1   -8   16   39 o   75.076   31.154   9.2614   9.9516   6.1200   15.593   11.420   12.926   74.880   34.540   79.858   34.415 -4.977882 48.75872 
1 1 1   -8   16   40 o   72.676   30.523   8.7680   9.7229   16.199   12.807  -1.3430   14.939   85.601   35.416   65.861   31.425 19.74023 47.34768 
1 1 1   -8   16   41 o   66.783   30.000   5.3552   10.816  -5.5320   21.277   9.1492   12.560   68.029   33.560   73.181   32.638 -5.151581 46.81348 
1 1 1   -8   16   42 o   49.296   23.884  -6.9651   9.4267  -7.1584   10.700  -6.2950   19.926   52.005   25.254   64.795   32.059 -12.78992 40.81084 
1 1 1   -8   16   43 o   64.514   29.422   5.9642   10.888   12.267   13.030  -8.6190   19.820   73.017   32.852   61.629   30.737 11.38878 44.98916 
1 1 1   -8   17    1 o  176.969   27.980   42.125   12.400   0.0000   0.0000   42.125   12.400  ?   ?   176.969   27.980 0.000000 27.97959 
1 1 1   -8   17    2 o  594.166   11.084  458.309   17.059  469.023   24.853  448.763   23.458  600.310   15.983  587.301   15.420 13.00928 22.20869 
1 1 1   -8   17    3 o  410.875   11.945  219.250   12.713  254.612   19.255  191.922   16.927  442.173   16.811  383.871   17.023 58.30167 23.92494 
1 1 1   -8   17    4 o  441.576   11.522  253.202   13.179  245.570   19.322  259.841   18.020  434.176   17.181  446.844   15.569 -12.66843 23.18557 
1 1 1   -8   17    5 o  201.524   18.741   53.418   9.6707   54.588   14.684   52.522   12.852  201.656   28.940  198.496   25.591 3.159866 38.63226 
1 1 1   -8   17    6 o  350.462   18.548  160.648   16.778   0.0000   0.0000  160.648   16.778  ?   ?   350.462   18.548 0.000000 18.54813 
1 1 1   -8   17    7 o  269.570   32.464   97.520   22.213   0.0000   0.0000   97.520   22.213  ?   ?   269.570   32.464 0.000000 32.46373 
1 1 1   -8   17    8 o  546.624   10.995  388.028   15.568  386.800   35.801  388.314   17.288  542.592   25.473  546.655   12.209 -4.062622 28.24722 
1 1 1   -8   17    9 o   55.672   24.630  -2.2006   7.0096 -18.6300   22.097  -0.3623   7.3914   86.769   40.399   60.871   26.125 25.89751 48.11049 
1 1 1   -8   17   10 f  236.149   15.049   72.915   9.1577   67.320   25.925   73.712   9.7887  218.355   47.212  237.294   16.019 -18.93898 49.85532 
1 1 1   -8   17   11 o  312.835   12.858  127.291   10.419  105.400   28.537  130.658   11.192  276.730   41.056  316.862   13.636 -40.13168 43.26135 
1 1 1   -8   17   12 f  242.359   14.970   76.827   9.3520   83.770   28.336   75.978   9.9072  243.737   46.579  240.848   15.971 2.888641 49.24074 
1 1 1   -8   17   13 o  128.732   25.736   22.619   8.2817  -6.0040   24.145   26.436   8.8165  102.368   45.479  139.514   25.329 -37.14613 52.05717 
1 1 1   -8   17   14 o  248.686   15.202   80.979   9.7458   90.230   27.283   79.626   10.434  253.689   43.058  246.364   16.445 7.325897 46.09120 
1 1 1   -8   17   15 o  210.033   16.804   58.049   9.0657   36.290   28.663   60.467   9.5563  162.536   56.079  214.278   17.367 -51.74219 58.70674 
1 1 1   -8   17   16 o  297.787   18.068  116.688   13.871   0.0000   0.0000  116.688   13.871  ?   ?   297.787   18.068 0.000000 18.06757 
1 1 1   -8   17   17 o  176.461   20.644   41.583   9.2579   21.220   26.562   44.399   9.8773  136.883   52.846  182.233   21.328 -45.35048 56.98737 
1 1 1   -8   17   18 o  299.408   13.849  117.168   10.741   87.600   30.521  121.348   11.475  242.497   50.242  304.558   14.546 -62.06143 52.30516 
1 1 1   -8   17   19 o  120.615   27.299   20.327   8.3302  -0.4902   25.038   22.919   8.8335  106.758   46.918  128.175   27.434 -21.41689 54.35046 
1 1 1   -8   17   20 f   99.047   38.141   10.501   13.808   8.2530   21.342   12.120   18.110  109.075   45.472  109.208   43.198 -0.1332855 62.71967 
1 1 1   -8   17   21 o   86.173   28.161   9.9279   7.2343  -3.2279   10.573   21.507   9.9195   66.767   29.850  122.462   31.187 -55.69479 43.16944 
1 1 1   -8   17   22 o  135.971   22.172   25.434   7.5399   21.125   11.022   29.224   10.337  120.414   33.900  143.408   28.827 -22.99369 44.49953 
1 1 1   -8   17   23 o  266.659   20.303   95.913   13.919   95.913   13.919   0.0000   0.0000  266.659   20.303  ?   ?  0.000000 20.30343 
1 1 1   -8   17   24 o   79.963   27.519   8.3697   6.9002   15.110   10.099   2.4677   9.4501  102.768   33.253   71.760   30.112 31.00774 44.86095 
1 1 1   -8   17   25 o  104.876   25.599   15.782   6.8932   24.248   10.258   8.8110   9.3082  128.112   31.201   84.971   31.625 43.14153 44.42604 
1 1 1   -8   17   26 f   71.084   26.446   5.8911   6.5080   3.0654   9.3459   8.5512   9.0679   71.953   30.052   83.464   31.185 -11.51120 43.30802 
1 1 1   -8   17   27 o  172.025   17.367   40.170   7.6328   48.837   11.207   32.672   10.424  186.350   23.758  149.689   27.911 36.66127 36.65361 
1 1 1   -8   17   28 f   57.831   24.832   0.6743   6.6832 -14.6500   10.092   12.644   8.9193   50.598   24.560   92.999   31.298 -42.40057 39.78391 
1 1 1   -8   17   29 o  194.184   18.630   51.987   9.2556   48.638   12.074   56.760   14.414  182.533   26.294  194.701   29.504 -12.16779 39.52068 
1 1 1   -8   17   30 o   80.367   27.632   9.2816   6.9562   24.232   10.044  -4.5014   9.6437  123.940   31.282   58.944   27.180 64.99577 41.44104 
1 1 1   -8   17   31 o   72.461   32.106   1.2922   11.954  -5.1070   20.540   4.5700   14.700   81.819   38.373   82.167   36.035 -0.3478470 52.64002 
1 1 1   -8   17   32 o   41.194   19.822  -7.8457   6.2261  -1.0916   10.241 -11.8053   7.8415   64.293   29.007   43.801   21.348 20.49247 36.01653 
1 1 1   -8   17   33 o  105.658   25.927   17.339   7.0428   30.670   10.672   7.0521   9.3741  137.293   30.769   75.836   30.710 61.45670 43.47217 
1 1 1   -8   17   34 o  117.817   26.971   21.979   8.0535   3.0754   11.193   42.272   11.597   71.246   31.339  163.133   28.480 -91.88664 42.34707 
1 1 1   -8   17   35 o   85.551   30.683   12.098   8.6404   11.451   11.106   13.090   13.753   84.653   33.720   88.824   36.721 -4.170975 49.85462 
1 1 1   -8   17   36 o  145.670   23.557   32.742   8.5851   32.952   10.694   32.360   14.398  138.659   30.595  124.320   39.651 14.33892 50.08236 
1 1 1   -8   17   37 o   58.889   26.197   1.2778   8.0365   2.7714   11.522  -0.1374   11.215   68.014   30.719   63.812   29.384 4.202007 42.50977 
1 1 1   -8   17   38 o   53.010   24.849  -3.2919   8.5940 -11.6760   12.135   5.1445   12.173   54.001   26.372   70.587   31.756 -16.58623 41.27897 
1 1 1   -8   17   39 o   91.654   31.431   16.731   8.9971   13.832   10.861   23.070   16.062   82.452   33.172   93.387   39.226 -10.93426 51.37178 
1 1 1   -8   17   40 o   95.169   35.959   21.840   12.127   15.730   17.528   27.450   16.797   81.103   37.119   95.825   40.175 -14.72265 54.69749 
1 1 1   -8   17   41 o   86.559   31.998   16.495   9.4972   17.866   13.455   15.133   13.408   83.498   35.526   79.498   34.650 3.999496 49.62563 
1 1 1   -8   17   42 o   75.774   30.307   12.454   9.0084   11.027   12.985   13.779   12.508   71.825   32.510   75.584   33.191 -3.759010 46.46048 
1 1 1   -8   17   43 f   51.756   24.513  -1.1858   8.7602  -4.7399   9.8262   12.580   19.338   50.262   24.359   70.036   33.996 -19.77401 41.82251 
1 1 1   -8   18    1 o  297.712   13.974  115.294   10.776  113.123   15.533  117.309   14.962  293.455   20.565  299.084   19.418 -5.629395 28.28408 
1 1 1   -8   18    2 o  103.517   31.091   14.337   9.0070   1.9084   13.288   24.901   12.251   85.090   35.707  134.350   34.891 -49.25977 49.92361 
1 1 1   -8   18    3 o   69.255   30.292  -2.0198   10.328 -26.6000   21.423   5.4232   11.789   79.119   37.718   87.087   34.724 -7.967468 51.26808 
1 1 1   -8   18    4 o  129.942   40.455   22.692   15.074  -0.2240   23.740   38.170   19.511  108.201   46.634  165.073   44.582 -56.87199 64.51613 
1 1 1   -8   18    5 o  265.045   32.974   94.640   22.149   0.0000   0.0000   94.640   22.149  ?   ?   265.045   32.974 0.000000 32.97374 
1 1 1   -8   18    6 o  278.806   17.045  101.760   12.250  108.700   21.129   98.246   15.036  285.415   28.981  273.083   21.428 12.33286 36.04238 
1 1 1   -8   18    7 o  235.156   18.022   72.620   10.894   65.773   16.349   78.088   14.610  221.184   29.253  242.764   23.529 -21.58075 37.54129 
1 1 1   -8   18    8 o   64.717   28.585  -2.6523   9.4035   9.8775   14.199 -12.4423   12.551  101.224   38.750   63.925   29.985 37.29882 48.99626 
1 1 1   -8   18    9 o  504.575   11.386  330.913   14.881  285.900   35.089  340.785   16.432  463.515   29.377  511.879   12.393 -48.36343 31.88415 
1 1 1   -8   18   10 o   74.939   28.472   5.3634   7.6295   9.1780   26.089   5.0067   7.9783  122.944   50.678   75.054   28.966 47.89040 58.37234 
1 1 1   -8   18   11 o  179.366   19.092   42.591   8.7341   56.240   25.798   40.823   9.2823  197.224   50.331  175.191   20.865 22.03372 54.48429 
1 1 1   -8   18   12 o  176.143   19.448   41.154   8.7252   15.070   24.938   44.793   9.3139  127.986   50.671  183.757   19.885 -55.77144 54.43275 
1 1 1   -8   18   13 o  198.685   17.638   52.079   8.9831   48.170   27.870   52.532   9.4895  181.451   54.734  199.355   18.591 -17.90338 57.80544 
1 1 1   -8   18   14 o  128.172   27.553   22.682   8.8756   0.0000   0.0000   22.682   8.8756  ?   ?   128.172   27.553 0.000000 27.55289 
1 1 1   -8   18   15 o  319.236   15.497  133.320   12.814  126.400   31.343  134.709   14.042  299.559   41.509  320.138   16.994 -20.57947 44.85251 
1 1 1   -8   18   16 o  142.763   23.415   27.719   8.3587   42.780   26.482   26.052   8.8090  169.488   53.743  137.701   25.640 31.78691 59.54648 
1 1 1   -8   18   17 o  198.900   18.795   52.620   9.5685   65.200   29.175   51.104   10.129  205.386   54.090  195.563   20.290 9.822433 57.77051 
1 1 1   -8   18   18 o  306.123   13.793  122.733   10.937   66.340   25.219  135.796   12.138  209.447   47.569  321.798   14.562 -112.3511 49.74768 
1 1 1   -8   18   19 o   92.458   36.160   8.4826   12.561 -21.6600   26.196   17.483   14.314   90.419   42.693  113.707   39.607 -23.28809 58.23616 
1 1 1   -8   18   20 o  255.104   18.014   86.723   11.827   77.460   29.076   88.560   12.947  220.087   51.854  257.154   19.584 -37.06693 55.42862 
1 1 1   -8   18   21 o  175.888   21.639   42.171   9.6510   28.410   27.813   44.055   10.290  139.806   54.047  179.411   22.647 -39.60538 58.60044 
1 1 1   -8   18   22 o   39.081   19.366 -16.5625   7.3749 -35.7000   26.240 -14.9211   7.6847   80.331   39.131   41.740   20.508 38.59045 44.17941 
1 1 1   -8   18   23 o  225.518   14.964   67.619   8.6918   54.868   12.773   78.614   11.862  198.196   25.470  241.318   19.133 -43.12215 31.85535 
1 1 1   -8   18   24 o  124.418   22.854   21.747   7.0941   17.112   10.906   25.146   9.3402  107.665   34.527  131.629   28.240 -23.96413 44.60472 
1 1 1   -8   18   25 f   70.921   26.410   5.8799   6.4930   12.584   9.6020   0.2314   8.8136   94.404   32.464   64.944   28.201 29.45997 43.00293 
1 1 1   -8   18   26 o   93.108   25.477   12.607   6.3228   7.0508   8.4693   19.602   9.5034   77.994   29.911  113.786   31.275 -35.79182 43.27571 
1 1 1   -8   18   27 o   95.954   27.812   13.688   7.3141   14.390   11.455   13.204   9.5037   98.730   35.337   94.667   32.305 4.063454 47.87777 
1 1 1   -8   18   28 o   66.814   27.024   4.0420   7.2497   3.4975   10.005   4.6440   10.520   72.770   30.783   76.035   31.831 -3.265060 44.28053 
1 1 1   -8   18   29 o   49.548   22.249  -1.6610   5.9429   7.3860   8.2467 -11.4354   8.5719   76.623   29.484   47.365   22.906 29.25777 37.33610 
1 1 1   -8   18   30 o   84.897   36.199   7.3947   14.024   2.5530   22.018   10.700   18.192   89.935   41.323   94.237   40.719 -4.302399 58.01405 
1 1 1   -8   18   31 o   76.775   30.711   7.3417   9.2510   0.0000   0.0000   7.3417   9.2510  ?   ?    76.775   30.711 0.000000 30.71102 
1 1 1   -8   18   32 f  141.718   22.389   29.634   7.9459   40.335   11.694   20.456   10.830  159.192   29.444  108.383   34.369 50.80961 45.25697 
1 1 1   -8   18   33 o   65.325   27.257   3.9787   7.6784   15.850   10.723  -8.5144   11.000   95.540   34.190   56.678   27.022 38.86217 43.57924 
1 1 1   -8   18   34 o   69.795   28.352   6.0021   8.0176   6.9055   10.064   4.4330   13.264   74.727   31.195   75.445   33.602 -0.7184067 45.85057 
1 1 1   -8   18   35 o   70.827   27.829   7.1172   7.4687   9.7722   9.3874   2.5380   12.329   78.762   31.118   70.330   31.770 8.431778 44.47126 
1 1 1   -8   18   36 o  114.441   27.293   22.058   7.9771   11.834   10.927   33.726   11.673   82.058   33.181  134.311   33.627 -52.25346 47.24190 
1 1 1   -8   18   37 o   59.434   26.529   1.7395   8.3158   3.1467   11.493   0.1931   12.048   67.098   30.456   64.447   29.948 2.651062 42.71346 
1 1 1   -8   18   38 o   51.672   24.924  -7.3198   9.9861  -4.4970   13.097 -11.2400   15.434   60.517   29.022   59.518   29.207 0.9986038 41.17416 
1 1 1   -8   18   39 o   64.645   28.971   4.5480   10.025   8.6121   12.873  -1.7150   15.980   72.464   32.623   65.317   31.511 7.147072 45.35661 
1 1 1   -8   18   40 o   79.895   33.023   14.479   11.119   1.6810   23.046   18.362   12.694   70.561   34.831   85.078   35.235 -14.51763 49.54468 
1 1 1   -8   18   41 o   77.438   29.066   12.511   7.8953   12.671   9.7560   12.209   13.441   75.617   31.059   73.324   33.143 2.292465 45.42126 
1 1 1   -8   18   42 f   65.438   27.723   8.2012   8.1346   33.736   13.012  -8.1825   10.422  107.502   37.744   48.786   23.952 58.71615 44.70291 
1 1 1   -8   19    1 o  444.593   17.706  258.140   20.390  249.400   30.048  265.600   27.760  433.887   26.868  448.820   23.964 -14.93323 36.00248 
1 1 1   -8   19    2 o  295.136   17.697  114.159   13.467  119.189   16.828  105.200   22.458  300.704   21.752  279.667   31.552 21.03766 38.32356 
1 1 1   -8   19    3 o  255.814   16.686   85.751   10.996  101.888   16.224   72.036   14.956  277.644   22.759  232.543   25.234 45.10043 33.98130 
1 1 1   -8   19    4 o  180.962   25.060   43.921   11.432   47.200   19.876   42.301   13.974  182.926   42.720  175.766   31.867 7.159851 53.29674 
1 1 1   -8   19    5 o  177.941   24.197   42.411   10.864   54.490   18.995   36.539   13.244  197.989   38.424  162.862   32.532 35.12637 50.34625 
1 1 1   -8   19    6 o  376.190   13.240  184.223   12.902  178.397   19.479  188.776   17.221  368.342   20.497  380.092   17.491 -11.75055 26.94585 
1 1 1   -8   19    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   19    8 o  574.568   17.548  431.700   26.117  431.700   26.117   0.0000   0.0000  574.568   17.548  ?   ?  0.000000 17.54827 
1 1 1   -8   19    9 o  453.287   14.447  267.942   16.963  261.700   33.450  270.103   19.681  442.387   29.358  454.586   16.714 -12.19879 33.78219 
1 1 1   -8   19   10 o  236.464   15.282   73.303   9.3104   73.070   24.665   73.342   10.054  226.982   43.535  236.285   16.531 -9.302002 46.56791 
1 1 1   -8   19   11 o   85.020   28.887   9.0246   7.5987 -33.0300   24.644   13.443   7.9879   82.105   39.489   99.349   29.143 -17.24403 49.07811 
1 1 1   -8   19   12 o  212.779   18.337   59.845   10.008   0.0000   0.0000   59.845   10.008  ?   ?   212.779   18.337 0.000000 18.33695 
1 1 1   -8   19   13 o  259.977   18.547   89.264   12.408   0.0000   0.0000   89.264   12.408  ?   ?   259.977   18.547 0.000000 18.54741 
1 1 1   -8   19   14 o  182.124   18.827   44.117   8.7535   56.260   27.207   42.715   9.2450  192.584   52.912  178.790   20.324 13.79451 56.68071 
1 1 1   -8   19   15 o  234.957   16.328   72.829   9.8757   63.510   28.252   74.126   10.541  203.220   53.087  236.786   17.305 -33.56607 55.83661 
1 1 1   -8   19   16 o  419.773   12.622  230.333   13.724  200.200   33.878  236.249   15.011  378.687   34.931  424.802   13.642 -46.11508 37.49989 
1 1 1   -8   19   17 o  270.298   14.702   96.227   10.255   90.740   25.321   97.303   11.216  249.462   40.581  271.388   16.026 -21.92583 43.63039 
1 1 1   -8   19   18 o  290.780   20.263  113.264   15.167   71.450   29.851  127.814   17.609  209.523   54.489  307.960   22.224 -98.43695 58.84702 
1 1 1   -8   19   19 f  107.229   31.516   16.474   9.3336   28.160   26.204   14.776   9.9888  139.128   52.788  102.618   33.057 36.50982 62.28469 
1 1 1   -8   19   20 o   93.400   29.682   12.182   8.0743   41.240   24.694   8.7032   8.5440  157.983   52.048   83.967   30.458 74.01585 60.30490 
1 1 1   -8   19   21 o  181.452   19.445   44.653   8.9973   50.750   21.489   43.357   9.9075  177.028   46.326  177.678   21.997 -0.6496735 51.28316 
1 1 1   -8   19   22 f  114.771   27.423   19.066   8.0412   22.310   20.884   18.501   8.7130  123.412   47.054  112.400   29.539 11.01122 55.55778 
1 1 1   -8   19   23 o  148.512   25.458   31.349   9.4409   33.110   20.714   30.887   10.607  140.627   47.694  145.482   29.161 -4.855011 55.90276 
1 1 1   -8   19   24 o  209.591   19.052   59.902   10.230   44.710   21.609   64.291   11.614  160.027   48.178  216.036   21.021 -56.00813 52.56453 
1 1 1   -8   19   25 o  145.175   19.657   29.184   7.2019   29.800   10.462   28.629   9.9287  141.406   29.517  139.123   28.509 2.283691 41.03710 
1 1 1   -8   19   26 o  167.407   17.619   38.382   7.5254   23.500   12.204   47.513   9.5590  120.818   36.169  184.868   20.296 -64.04910 41.47434 
1 1 1   -8   19   27 o  134.575   23.060   26.118   7.7493   20.400   10.499   32.960   11.485  112.964   33.487  145.737   31.355 -32.77333 45.87463 
1 1 1   -8   19   28 o   70.642   26.988   6.1126   6.8784  -3.3663   10.543   13.136   9.0758   62.918   28.794   92.352   31.569 -29.43320 42.72759 
1 1 1   -8   19   29 o  164.814   25.452   40.541   10.516   52.317   12.423   10.770   19.753  186.591   26.443   95.249   41.771 91.34223 49.43744 
1 1 1   -8   19   30 o  145.784   26.036   32.383   9.4711   17.290   18.246   37.949   11.081  100.822   42.039  155.834   28.501 -55.01219 50.78991 
1 1 1   -8   19   31 o  114.893   27.266   20.887   7.9928   32.953   12.103   11.556   10.644  138.524   33.986   86.374   33.423 52.15015 47.66716 
1 1 1   -8   19   32 o   59.232   25.096   2.4364   6.6673  -0.8911   8.4216   8.0243   10.913   58.282   26.299   78.651   32.629 -20.36825 41.90842 
1 1 1   -8   19   33 o   78.229   30.104   9.3685   8.5982   22.545   11.358  -8.3180   13.159  109.784   35.238   61.459   29.371 48.32518 45.87373 
1 1 1   -8   19   34 o   51.432   23.526  -1.8430   7.0277   1.5117   9.0685  -6.8870   11.120   62.468   27.806   57.183   27.236 5.285191 38.92303 
1 1 1   -8   19   35 o   63.667   26.875   4.3664   7.6003   12.433   10.883  -3.3116   10.618   83.087   33.284   58.802   27.582 24.28490 43.22703 
1 1 1   -8   19   36 o  137.200   25.517   31.112   8.7345   18.919   11.808   45.845   12.980   93.776   35.470  155.988   33.146 -62.21213 48.54716 
1 1 1   -8   19   37 o   53.774   25.186  -2.4233   8.7972   0.5769   13.894  -4.4309   11.366   65.992   31.139   57.308   27.362 8.683136 41.45282 
1 1 1   -8   19   38 o   55.177   25.816  -1.3999   9.2017  -0.4016   12.258  -2.6890   13.928   61.625   29.130   61.926   29.759 -0.3008957 41.64366 
1 1 1   -8   19   39 o   58.939   28.435  -3.4800   13.016 -18.7300   20.206   7.3370   17.018   59.587   29.910   71.076   33.809 -11.48902 45.14061 
1 1 1   -8   19   40 o   82.793   31.594   15.807   9.4200   21.257   13.352   10.405   13.292   86.028   35.924   71.063   32.448 14.96509 48.40822 
1 1 1   -8   19   41 o   54.215   25.462   0.2994   9.0971   9.1900   13.117  -7.9404   12.628   67.488   31.323   52.785   26.004 14.70276 40.71012 
1 1 1   -8   19   42 o   52.460   24.520   1.0515   8.2660  -2.6551   10.980   5.9000   12.558   52.743   25.605   61.674   29.251 -8.930912 38.87472 
1 1 1   -8   20    1 o  303.212   14.051  119.830   11.036  136.545   16.734  106.964   14.681  321.990   20.165  284.874   20.022 37.11557 28.41693 
1 1 1   -8   20    2 f  394.949   12.665  203.074   12.957  215.785   19.754  193.476   17.166  405.862   18.790  384.657   17.228 21.20490 25.49227 
1 1 1   -8   20    3 o  366.015   14.761  174.749   13.995  182.500   25.170  171.280   16.838  370.287   26.415  361.745   17.970 8.541901 31.94755 
1 1 1   -8   20    4 o  184.816   24.515   45.864   11.447   47.380   20.582   45.186   13.773  182.023   44.113  181.789   30.317 0.2341003 53.52681 
1 1 1   -8   20    5 o  287.793   15.873  108.519   11.787  108.582   17.695  108.469   15.803  285.747   24.133  286.374   21.460 -0.6269531 32.29405 
1 1 1   -8   20    6 o   83.070   32.142   6.2706   9.8434  -3.6048   15.174   13.446   12.934   81.987   36.257  105.568   37.575 -23.58163 52.21487 
1 1 1   -8   20    7 o  549.068   12.093  392.560   17.199  409.425   25.768  379.011   23.096  558.995   17.796  538.247   16.566 20.74854 24.31309 
1 1 1   -8   20    8 o  570.334   11.953  423.605   17.659  442.468   26.432  408.400   23.732  581.056   17.561  558.658   16.400 22.39801 24.02811 
1 1 1   -8   20    9 o  236.064   18.324   73.578   11.117   59.888   17.220   83.359   14.556  208.262   33.024  250.127   22.714 -41.86595 40.08082 
1 1 1   -8   20   10 o  246.769   17.409   80.277   11.056   0.0000   0.0000   80.277   11.056  ?   ?   246.769   17.409 0.000000 17.40876 
1 1 1   -8   20   11 o  352.772   15.841  163.045   14.476   0.0000   0.0000  163.045   14.476  ?   ?   352.772   15.841 0.000000 15.84142 
1 1 1   -8   20   12 o  141.957   24.240   27.546   8.5932   15.470   25.120   29.146   9.1450  126.007   50.535  145.862   25.110 -19.85466 56.42986 
1 1 1   -8   20   13 o  127.251   25.892   22.453   8.2442  -4.7200   25.618   25.592   8.7074  103.823   46.436  136.140   25.632 -32.31642 53.04110 
1 1 1   -8   20   14 o  186.787   19.027   46.606   9.0772   66.720   27.714   44.189   9.6072  207.333   51.763  181.283   20.838 26.05045 55.80022 
1 1 1   -8   20   15 f  239.691   16.063   75.995   9.9153   71.570   27.223   76.671   10.647  214.742   49.892  240.392   17.212 -25.64954 52.77738 
1 1 1   -8   20   16 o  197.010   18.802   51.986   9.4787   60.670   27.161   50.782   10.115  194.010   52.687  194.126   20.421 -0.1157227 56.50584 
1 1 1   -8   20   17 o  211.336   27.548   62.178   14.722   47.860   28.278   67.502   17.243  169.508   55.690  218.142   31.422 -48.63458 63.94314 
1 1 1   -8   20   18 o  186.604   21.414   47.446   10.163   18.530   24.138   53.677   11.205  122.992   49.463  198.258   22.199 -75.26547 54.21609 
1 1 1   -8   20   19 f   57.700   25.751  -2.2351   7.8326   0.2005   22.205  -2.5812   8.3707   97.756   43.513   59.203   26.507 38.55366 50.95080 
1 1 1   -8   20   20 o  159.496   22.904   35.322   9.1911   61.280   25.824   31.557   9.8351  189.202   51.370  148.985   26.454 40.21695 57.78155 
1 1 1   -8   20   21 o  235.278   17.194   74.425   10.406   25.420   26.306   83.516   11.330  129.675   51.818  249.042   17.679 -119.3673 54.75029 
1 1 1   -8   20   22 o   55.091   24.059  -0.4826   6.4923   11.420   24.532  -1.3791   6.7323  110.113   47.432   54.335   24.083 55.77759 53.19582 
1 1 1   -8   20   23 o  110.705   28.789   18.244   8.3330 -37.6500   24.639   25.463   8.8548   73.792   36.347  132.178   26.780 -58.38628 45.14700 
1 1 1   -8   20   24 o   46.039   22.094  -9.5619   7.6195 -17.1500   23.684  -8.6859   8.0474   82.317   39.357   48.756   23.208 33.56086 45.69033 
1 1 1   -8   20   25 o  176.909   24.928   45.187   11.107   0.0000   0.0000   45.187   11.107  ?   ?   176.909   24.928 0.000000 24.92835 
1 1 1   -8   20   26 o  100.147   33.985   15.814   10.517   28.590   27.364   13.600   11.392  122.320   51.280   95.017   35.062 27.30286 62.12048 
1 1 1   -8   20   27 o   54.522   23.822   0.0949   6.3718  -9.7169   9.9358   6.9486   8.3042   53.625   25.598   75.211   29.404 -21.58638 38.98552 
1 1 1   -8   20   28 o  150.594   23.037   33.274   8.7006   31.005   9.9619   40.570   17.865  141.299   28.206  144.197   43.895 -2.897751 52.17635 
1 1 1   -8   20   29 o   77.189   30.786   7.7596   9.2684   28.740   22.633   3.5324   10.159  114.866   47.258   70.638   30.476 44.22731 56.23258 
1 1 1   -8   20   30 o  156.229   21.428   35.782   8.4430   49.014   12.908   25.888   11.162  174.757   29.570  121.493   34.083 53.26358 45.12237 
1 1 1   -8   20   31 o  121.583   25.753   23.214   7.8584   21.311   10.931   25.248   11.305  108.360   34.547  118.091   34.678 -9.731598 48.94978 
1 1 1   -8   20   32 o   74.395   29.133   8.0543   8.1614   14.066   11.060   0.8672   12.093   89.305   34.196   68.447   31.135 20.85740 46.24731 
1 1 1   -8   20   33 o   48.437   22.447  -2.9750   6.6995  -0.4580   8.8860  -6.2900   10.198   58.860   26.742   55.232   26.243 3.628155 37.46736 
1 1 1   -8   20   34 o   80.187   28.762   11.091   7.5925   12.205   10.727   9.9722   10.747   82.315   33.020   78.012   32.374 4.302681 46.24265 
1 1 1   -8   20   35 o   63.275   26.853   4.6803   7.6533   12.227   10.224  -4.9376   11.542   80.613   32.272   57.996   27.658 22.61726 42.50245 
1 1 1   -8   20   36 o   61.006   27.474   2.5053   9.1382   11.170   14.864  -2.7603   11.587   77.400   34.931   59.116   28.055 18.28438 44.80234 
1 1 1   -8   20   37 o   73.870   30.433   10.423   9.4020   13.557   12.185   5.8120   14.781   78.742   33.662   69.864   32.697 8.878624 46.92816 
1 1 1   -8   20   38 o   54.257   25.539  -1.4318   9.2409  -2.6711   11.396   0.9474   15.790   56.899   27.230   65.087   31.380 -8.187187 41.54792 
1 1 1   -8   20   39 o   44.140   21.725 -10.1119   8.7458   7.9212   13.263 -23.9858   11.633   67.997   31.537   43.090   21.764 24.90761 38.31770 
1 1 1   -8   20   40 o   89.227   30.402   18.147   8.4169   16.148   10.852   21.165   13.335   78.280   32.511   82.421   35.224 -4.141090 47.93465 
1 1 1   -8   20   41 f   68.933   29.085   11.210   8.8945   4.8754   12.509   17.687   12.649   60.662   28.892   75.082   33.158 -14.42038 43.97980 
1 1 1   -8   21    1 f  321.453   14.470  134.948   12.049  130.254   17.805  138.913   16.365  313.366   22.077  324.470   19.563 -11.10376 29.49711 
1 1 1   -8   21    2 o  142.583   29.812   28.205   10.656   59.840   19.319   14.371   12.776  206.480   37.502  107.065   37.411 99.41485 52.97185 
1 1 1   -8   21    3 o  105.412   33.868   14.849   10.490   3.8900   18.943   19.695   12.598  100.847   42.492  119.617   36.941 -18.76999 56.30489 
1 1 1   -8   21    4 o  432.167   12.860  243.560   14.396  249.106   21.756  239.241   19.201  435.198   19.299  427.119   17.355 8.079193 25.95505 
1 1 1   -8   21    5 o  148.330   28.909   30.432   10.708   1.6967   16.040   53.533   14.382   90.899   38.735  197.946   28.901 -107.0470 48.32860 
1 1 1   -8   21    6 o  225.834   21.285   67.935   12.304   68.770   21.782   67.544   14.911  220.171   39.652  223.599   26.244 -3.427765 47.55053 
1 1 1   -8   21    7 o  119.576   37.779   19.726   13.095   33.580   19.964   9.2660   17.348  152.175   46.420  104.860   42.017 47.31450 62.61192 
1 1 1   -8   21    8 o   68.953   31.560  -7.5241   12.675  -8.3240   20.323  -7.0150   16.214   89.471   40.569   80.195   36.311 9.276352 54.44564 
1 1 1   -8   21    9 f  199.662   25.158   54.052   12.722   50.016   16.965   59.240   19.232  187.660   36.212  203.899   37.806 -16.23972 52.35063 
1 1 1   -8   21   10 o  346.556   17.039  158.016   15.296  155.500   31.261  158.807   17.539  332.782   36.886  346.014   19.649 -13.23227 41.79317 
1 1 1   -8   21   11 o  244.145   15.410   78.576   9.6954   68.080   28.814   79.916   10.296  208.794   53.141  245.986   16.250 -37.19157 55.57030 
1 1 1   -8   21   12 o  223.714   16.118   66.216   9.2778   80.830   25.369   63.960   9.9683  233.489   43.548  219.377   17.693 14.11200 47.00481 
1 1 1   -8   21   13 o  132.892   26.010   24.668   8.6328   34.530   27.109   23.555   9.1069  151.160   54.334  129.145   28.028 22.01520 61.13712 
1 1 1   -8   21   14 o  246.896   15.566   80.690   9.9038   47.420   23.472   87.896   10.924  172.638   49.762  257.398   16.470 -84.76041 52.41642 
1 1 1   -8   21   15 o  245.445   23.175   82.087   14.560   85.410   28.689   80.934   16.898  231.935   49.273  241.309   27.526 -9.374588 56.44035 
1 1 1   -8   21   16 f   86.413   37.423   1.7132   15.437  -9.2420   23.646   9.8500   20.378   92.446   42.605  106.595   44.435 -14.14870 61.56042 
1 1 1   -8   21   17 o  119.444   27.582   20.537   8.3612   0.4828   23.649   23.402   8.9384  100.415   44.785  127.559   27.834 -27.14462 52.73012 
1 1 1   -8   21   18 o  155.626   23.767   33.835   9.2769 -25.6800   26.514   42.138   9.9029   85.326   41.018  174.637   22.408 -89.31145 46.73999 
1 1 1   -8   21   19 o   71.736   28.697   4.5628   8.0779 -14.6200   24.242   6.9588   8.5676   87.545   41.255   78.681   30.105 8.863976 51.07125 
1 1 1   -8   21   20 o   52.206   24.071  -4.7570   7.5603 -26.9400   21.740  -1.7052   8.0636   74.098   35.986   58.958   26.234 15.14001 44.53294 
1 1 1   -8   21   21 o   50.721   23.645  -5.8446   7.6068 -10.0700   17.920  -4.9158   8.4014   76.999   36.026   55.130   25.403 21.86868 44.08129 
1 1 1   -8   21   22 o  106.807   28.240   17.032   7.9321   22.520   18.876   15.855   8.7414  118.302   44.823  102.532   30.592 15.76931 54.26750 
1 1 1   -8   21   23 o   69.152   26.743   5.2961   6.8115   11.360   18.640   4.3615   7.3176   99.839   42.113   68.034   27.279 31.80504 50.17604 
1 1 1   -8   21   24 o   65.107   26.011   4.0909   6.6269   0.0000   0.0000   4.0909   6.6269  ?   ?    65.107   26.011 0.000000 26.01091 
1 1 1   -8   21   25 o  131.453   26.532   25.995   8.7228   14.930   19.730   28.683   9.7248  102.240   43.238  136.955   28.347 -34.71449 51.70135 
1 1 1   -8   21   26 o   64.307   26.832   3.1823   7.4406 -20.4400   21.516   6.3910   7.9299   72.747   35.436   72.860   28.660 -0.1132889 45.57507 
1 1 1   -8   21   27 o   85.833   30.860   11.371   8.7455   0.7299   23.165   13.139   9.4444   87.754   41.027   90.665   32.125 -2.910568 52.10779 
1 1 1   -8   21   28 o   52.090   25.327 -13.5588   10.852 -26.6100   23.069  -9.8500   12.298   70.185   34.683   59.256   28.339 10.92976 44.78871 
1 1 1   -8   21   29 o   57.385   24.295   2.1728   6.2408  -1.0068   8.4596   5.9694   9.2441   58.223   26.307   72.359   30.026 -14.13577 39.92012 
1 1 1   -8   21   30 o   59.217   25.538   1.9935   7.1281   17.455   10.552 -10.9852   9.6675   98.251   34.018   49.980   24.208 48.27127 41.75245 
1 1 1   -8   21   31 o  106.467   29.548   19.441   8.4367   12.901   11.544   26.940   12.361   86.333   34.382  117.332   36.651 -30.99857 50.25335 
1 1 1   -8   21   32 o   51.929   23.658  -1.3313   7.0159  -1.1777   9.8280  -1.4910   10.019   59.932   27.563   59.979   27.674 -0.4697418E-01 39.05865 
1 1 1   -8   21   33 o   53.699   24.289  -0.3064   7.2329   2.2660   10.446  -2.6758   10.025   64.873   29.280   57.728   26.989 7.144882 39.82115 
1 1 1   -8   21   34 o   80.219   28.635   11.663   7.5170   16.976   10.112   5.1009   11.238   90.938   33.113   68.634   30.722 22.30452 45.17011 
1 1 1   -8   21   35 o   89.727   31.098   16.309   8.8193   15.605   13.124   16.887   11.909   82.988   35.189   86.185   34.714 -3.197136 49.42986 
1 1 1   -8   21   36 o   62.710   27.890   4.5289   9.1041  -4.1302   11.310   20.470   15.345   56.045   26.902   85.840   37.243 -29.79417 45.94321 
1 1 1   -8   21   37 o   79.960   29.859   13.497   8.3109   1.9510   12.926   21.633   10.851   62.812   29.757   93.881   34.283 -31.06958 45.39666 
1 1 1   -8   21   38 o   74.864   31.044   12.797   9.8721   47.640   22.482   4.4744   10.988   97.252   43.499   62.360   28.846 34.89198 52.19448 
1 1 1   -8   21   39 o   51.883   24.411  -0.4245   8.4272  -0.5602   11.604  -0.2732   12.258   56.533   27.166   57.536   27.717 -1.002640 38.81029 
1 1 1   -8   21   40 o   65.146   28.586   9.3556   9.2629  -1.4769   13.315   19.515   12.894   56.074   27.435   76.896   33.735 -20.82217 43.48303 
1 1 1   -8   22    1 o  458.402   13.907  274.827   16.513  294.600   28.972  265.313   20.096  469.614   23.896  449.215   17.271 20.39883 29.48396 
1 1 1   -8   22    2 o  290.872   19.877  112.282   14.886  102.500   22.257  120.200   20.024  272.626   32.135  298.431   26.168 -25.80399 41.44168 
1 1 1   -8   22    3 o  286.255   20.154  108.868   14.849  104.100   22.246  112.700   19.941  274.814   31.841  288.447   27.003 -13.63330 41.74922 
1 1 1   -8   22    4 o  164.428   32.447   38.074   13.329   42.270   21.014   35.250   17.241  168.230   46.615  155.114   41.915 13.11555 62.68820 
1 1 1   -8   22    5 o  580.585   14.123  441.336   21.239  421.853   26.672  475.100   35.113  565.607   18.205  597.301   22.695 -31.69348 29.09420 
1 1 1   -8   22    6 f  301.833   15.877  119.997   12.369  131.174   18.733  111.356   16.471  312.679   23.296  288.424   22.217 24.25510 32.19172 
1 1 1   -8   22    7 o  155.039   26.937   33.284   10.425   21.120   16.289   41.723   13.568  123.677   42.292  172.171   31.588 -48.49400 52.78677 
1 1 1   -8   22    8 o  378.970   13.764  188.214   13.512  197.098   20.038  180.807   18.297  384.741   20.176  368.928   19.213 15.81290 27.86085 
1 1 1   -8   22    9 o  201.217   22.708   54.842   11.629   47.849   17.474   60.401   15.580  180.740   38.503  208.213   29.731 -27.47336 48.64594 
1 1 1   -8   22   10 o  146.198   30.827   30.481   11.307   44.230   17.330   20.292   14.919  172.580   39.606  119.880   40.477 52.70064 56.63102 
1 1 1   -8   22   11 o  207.199   24.786   58.884   13.039   67.540   25.641   55.865   15.142  207.337   48.591  199.090   30.320 8.246994 57.27498 
1 1 1   -8   22   12 o  280.925   14.588  104.242   10.579   69.640   28.832  109.625   11.372  205.329   53.625  287.825   15.309 -82.49623 55.76733 
1 1 1   -8   22   13 o  154.884   23.186   33.129   9.0160   44.550   25.992   31.567   9.6129  163.422   53.377  150.118   25.642 13.30362 59.21690 
1 1 1   -8   22   14 o  196.721   26.779   54.249   13.291   86.520   27.530   44.442   15.177  232.856   47.257  173.210   35.030 59.64636 58.82503 
1 1 1   -8   22   15 o  201.739   20.449   55.421   10.538   32.600   23.224   61.338   11.826  141.437   50.348  211.594   21.893 -70.15742 54.90233 
1 1 1   -8   22   16 o   75.675   29.652   5.7632   8.4588 -20.4500   26.143   8.8284   8.9397   87.526   41.709   84.246   31.064 3.279617 52.00595 
1 1 1   -8   22   17 o  278.260   15.519  103.358   11.141   12.550   26.600  122.678   12.269  114.409   49.336  303.130   15.679 -188.7206 51.76781 
1 1 1   -8   22   18 o  139.255   27.472   28.168   9.5574   7.6130   21.191   33.416   10.708  101.540   43.911  151.492   28.330 -49.95201 52.25650 
1 1 1   -8   22   19 o  241.217   16.722   78.465   10.384   51.800   26.750   83.196   11.267  164.886   54.164  247.851   17.666 -82.96501 56.97254 
1 1 1   -8   22   20 o  217.023   16.527   63.689   9.2211   64.320   26.523   63.603   9.8346  184.357   52.826  216.204   17.716 -31.84695 55.71724 
1 1 1   -8   22   21 o  270.504   15.268   98.454   10.654  110.400   26.523   96.155   11.634  259.658   40.777  266.160   16.963 -6.502075 44.16460 
1 1 1   -8   22   22 o   43.415   21.104 -11.4723   7.5223   2.2550   21.588 -13.3693   8.0253   92.250   41.822   43.694   21.361 48.55609 46.96177 
1 1 1   -8   22   23 o  223.711   21.972   71.091   12.568   0.0000   0.0000   71.091   12.568  ?   ?   223.711   21.972 0.000000 21.97160 
1 1 1   -8   22   24 o   77.319   30.198   7.5840   8.7519   2.9790   22.568   8.3991   9.4949   91.109   41.853   80.289   31.428 10.81924 52.33876 
1 1 1   -8   22   25 o   60.790   26.115   1.7093   7.3986   24.070   23.556  -0.7381   7.7930  110.920   47.094   57.535   25.681 53.38552 53.64129 
1 1 1   -8   22   26 o   61.570   24.994   3.7193   6.2259  -2.6430   23.195   4.2132   6.4630   84.295   39.914   63.450   25.567 20.84490 47.40078 
1 1 1   -8   22   27 o   96.669   38.024   16.723   13.958 -14.1300   23.592   33.340   17.314   76.409   37.195  125.100   43.561 -48.69092 57.28046 
1 1 1   -8   22   28 o   58.858   24.815   2.6338   6.4671 -42.6500   19.531   8.2099   6.8537   56.545   28.515   74.175   27.222 -17.62967 39.42315 
1 1 1   -8   22   29 f   64.755   26.020   5.0454   6.6735 -11.4600   15.861   8.5960   7.3564   64.269   31.100   75.081   28.081 -10.81216 41.90149 
1 1 1   -8   22   30 o  109.965   32.822   22.262   10.061   28.630   22.169   20.610   11.290  104.456   45.042  102.886   35.210 1.569901 57.17111 
1 1 1   -8   22   31 o   97.209   28.081   16.355   7.4675   10.612   9.6609   24.880   11.770   79.262   31.488  110.600   35.909 -31.33833 47.75935 
1 1 1   -8   22   32 o   73.491   28.160   8.9386   7.5030   19.040   10.823  -0.4090   10.411   96.119   34.354   60.915   28.142 35.20385 44.40938 
1 1 1   -8   22   33 o   58.719   25.493   3.1054   7.1995   2.6283   9.5303   3.7396   10.988   62.252   28.044   65.976   29.881 -3.724293 40.97952 
1 1 1   -8   22   34 o   40.528   20.125 -13.8413   8.1225 -24.5429   12.133  -5.1498   10.934   45.159   22.736   54.981   26.407 -9.821484 34.84602 
1 1 1   -8   22   35 o   61.423   27.619   3.8983   9.1933  -1.5320   11.675   12.760   14.914   58.636   27.923   75.713   34.493 -17.07656 44.37864 
1 1 1   -8   22   36 o   58.568   26.451   3.2448   8.5413   13.529   12.844  -4.9075   11.436   75.188   33.299   54.325   26.317 20.86319 42.44247 
1 1 1   -8   22   37 o   43.713   21.910 -17.4207   10.646 -12.4500   15.911 -21.4500   14.326   55.137   27.506   48.839   24.603 6.297771 36.90383 
1 1 1   -8   22   38 o   72.911   29.571   12.402   8.7064   12.108   13.578   12.607   11.346   69.338   32.071   70.861   31.343 -1.522934 44.84331 
1 1 1   -8   22   39 o   57.504   26.110   4.8714   8.4555   6.3980   11.591   3.1350   12.362   61.088   28.706   58.427   28.066 2.661503 40.14690 
1 1 1   -8   22   40 o   41.672   20.687  -9.4347   8.5610  -1.2245   11.859 -18.3708   12.372   52.766   25.832   44.084   22.287 8.681889 34.11761 
1 1 1   -8   23    1 o  126.130   33.195   22.900   10.993   42.920   19.853   14.049   13.201  168.066   44.792  105.021   37.896 63.04525 58.67202 
1 1 1   -8   23    2 o  325.539   16.025  139.618   13.513  125.800   23.526  146.422   16.508  301.099   30.589  331.596   19.303 -30.49716 36.17009 
1 1 1   -8   23    3 o  103.775   32.452   15.026   9.6878   3.6096   15.060   23.084   12.653   89.591   37.826  126.075   36.592 -36.48435 52.62865 
1 1 1   -8   23    4 o  168.786   22.974   38.868   9.7835   44.214   16.057   35.711   12.338  174.085   36.761  158.463   31.170 15.62219 48.19650 
1 1 1   -8   23    5 o  238.980   18.429   76.184   11.320   73.835   17.451   77.891   14.874  229.892   30.022  239.123   24.354 -9.230408 38.65816 
1 1 1   -8   23    6 o  106.184   34.010   15.829   10.584   15.828   15.894   15.830   14.188  111.327   41.347  109.384   39.309 1.943611 57.05061 
1 1 1   -8   23    7 o   57.489   26.875  -8.4701   9.9372 -12.1527   15.404  -5.8449   13.006   71.315   33.377   70.890   32.263 0.4251785 46.42121 
1 1 1   -8   23    8 o  229.204   19.445   70.576   11.436   88.399   17.248   56.597   15.276  252.870   26.738  199.905   30.464 52.96529 40.53410 
1 1 1   -8   23    9 o   74.728   31.349   2.6313   10.238  -8.6293   16.302   9.9641   13.155   76.776   35.380   95.281   37.076 -18.50496 51.24862 
1 1 1   -8   23   10 o  286.645   17.140  109.595   12.668  117.778   19.195  103.280   16.862  292.101   25.628  274.486   23.956 17.61511 35.08115 
1 1 1   -8   23   11 o  124.105   31.101   22.571   9.9780   22.528   13.265   22.628   15.143  122.396   37.925  122.688   40.774 -0.2922211 55.68523 
1 1 1   -8   23   12 o   80.587   33.628   4.1292   11.689   35.810   25.526  -4.2762   13.148  146.362   52.712   72.243   32.706 74.11893 62.03363 
1 1 1   -8   23   13 o  104.834   40.551   14.054   15.664   9.7600   21.951   18.510   22.360  106.721   45.391  118.520   47.627 -11.79894 65.79231 
1 1 1   -8   23   14 o  290.973   15.164  112.814   11.390   93.980   29.583  116.091   12.341  235.663   50.010  294.581   16.236 -58.91759 52.57941 
1 1 1   -8   23   15 o  279.410   14.915  104.098   10.756   96.550   26.792  105.548   11.744  244.538   43.910  280.623   16.226 -36.08508 46.81221 
1 1 1   -8   23   16 o  164.808   22.319   37.949   9.2829 -15.6400   24.574   46.869   10.026   86.238   40.906  183.881   21.452 -97.64320 46.18985 
1 1 1   -8   23   17 o  185.281   20.018   47.328   9.4548   68.190   27.559   44.545   10.066  190.514   53.594  178.450   22.260 12.06429 58.03337 
1 1 1   -8   23   18 o   59.697   26.046  -0.0401   7.5931 -17.3900   24.450   1.8117   7.9881   83.556   39.960   64.610   27.428 18.94527 48.46769 
1 1 1   -8   23   19 o  157.515   21.861   35.028   8.6792   6.5970   19.323   42.214   9.7142   94.690   41.425  172.911   22.202 -78.22090 46.99981 
1 1 1   -8   23   20 o  110.622   27.927   18.562   8.0035   33.120   20.854   16.047   8.6672  132.413   47.649  101.954   30.471 30.45875 56.55937 
1 1 1   -8   23   21 o   56.505   24.369   0.7134   6.4914   0.0000   0.0000   0.7134   6.4914  ?   ?    56.505   24.369 0.000000 24.36942 
1 1 1   -8   23   22 o  108.472   32.338   19.123   9.7707   0.0000   0.0000   19.123   9.7707  ?   ?   108.472   32.338 0.000000 32.33821 
1 1 1   -8   23   23 o  129.291   25.303   25.257   8.1706   41.770   22.811   22.827   8.7512  136.634   49.736  120.460   28.493 16.17423 57.31923 
1 1 1   -8   23   24 o  168.032   21.084   40.899   8.9747   39.290   23.242   41.180   9.7293  128.923   49.524  166.901   23.126 -37.97795 54.65726 
1 1 1   -8   23   25 o   72.795   28.940   6.8362   8.1660   5.1630   20.801   7.1411   8.8789   86.637   39.939   74.547   29.992 12.09018 49.94666 
1 1 1   -8   23   26 f   58.265   28.091 -11.1668   12.654 -28.5400   18.302   4.7430   17.514   59.999   29.862   81.571   37.246 -21.57204 47.73866 
1 1 1   -8   23   27 o   45.726   21.649  -5.5372   6.8208   24.040   16.725 -11.4380   7.4703  105.267   41.553   41.892   20.508 63.37525 46.33831 
1 1 1   -8   23   28 o   55.976   24.568   1.0612   6.8448  -4.1690   20.400   1.7247   7.2660   75.266   36.129   58.443   25.490 16.82241 44.21542 
1 1 1   -8   23   29 o  101.654   30.919   18.696   8.8664 -30.3900   21.887   28.333   9.6977   62.966   31.538  127.823   29.833 -64.85788 43.41264 
1 1 1   -8   23   30 o   57.718   25.988   0.5995   8.1721  -6.4070   21.290   1.8102   8.8501   72.014   35.116   61.186   27.335 10.82750 44.50124 
1 1 1   -8   23   31 o   59.061   25.375   3.2748   6.9865  -5.4630   17.506   4.9302   7.6197   66.872   32.434   63.660   26.893 3.212326 42.13319 
1 1 1   -8   23   32 o   50.302   24.278  -7.1805   9.5099 -39.2500   22.149   0.0676   10.530   57.012   28.932   60.126   27.959 -3.113514 40.23383 
1 1 1   -8   23   33 o   75.543   31.747   11.542   10.529  -4.0500   23.089   15.636   11.831   68.769   34.110   82.114   34.012 -13.34570 48.17014 
1 1 1   -8   23   34 o   96.269   32.600   20.979   9.6775   13.410   12.171   33.990   15.957   76.209   33.117  102.305   40.524 -26.09634 52.33437 
1 1 1   -8   23   35 o   55.857   25.834   1.3840   8.8092  -7.8803   13.130   8.9677   11.880   54.381   26.737   68.391   31.013 -14.00965 40.94711 
1 1 1   -8   23   36 o   61.591   27.564   5.8682   9.0412   9.2588   10.327  -5.2610   18.710   67.196   29.803   60.503   30.126 6.692291 42.37678 
1 1 1   -8   23   37 o   56.924   25.577   4.2796   7.8665  -1.9837   13.522   7.4840   9.6718   56.594   27.681   62.984   28.324 -6.389606 39.60394 
1 1 1   -8   23   38 o   51.152   23.792   1.3923   7.6328   6.7133   10.474  -4.6339   11.146   60.484   28.043   50.604   24.830 9.880554 37.45559 
1 1 1   -8   23   39 o   43.173   21.348  -7.7231   8.7892 -12.3447   12.837  -3.6449   12.059   47.146   23.689   50.946   25.157 -3.799789 34.55523 
1 1 1   -8   24    1 o  270.516   18.513   98.011   12.895   93.010   23.031  100.294   15.562  252.259   36.291  271.669   22.312 -19.40996 42.60135 
1 1 1   -8   24    2 o  235.295   18.225   74.189   11.021   67.155   16.769   79.537   14.622  217.363   30.633  240.950   23.737 -23.58704 38.75314 
1 1 1   -8   24    3 o  343.118   14.124  155.181   12.553  149.668   19.059  159.405   16.682  332.041   22.288  345.022   18.737 -12.98022 29.11741 
1 1 1   -8   24    4 o  182.907   23.101   46.025   10.701   64.764   16.856   33.375   13.849  212.543   31.576  149.262   36.194 63.28125 48.03172 
1 1 1   -8   24    5 o  289.529   16.068  111.487   12.003  133.174   17.699   93.018   16.333  313.058   21.965  259.853   24.556 53.20486 32.94623 
1 1 1   -8   24    6 o   80.671   32.381   5.7801   10.324   7.2684   15.363   4.5546   13.940   93.925   38.819   86.794   36.505 7.131111 53.28703 
1 1 1   -8   24    7 o  101.360   33.100   14.674   9.9954   4.3333   16.002   21.290   12.800   90.600   38.650  119.118   37.310 -28.51848 53.72017 
1 1 1   -8   24    8 o  141.246   30.184   29.114   10.708   50.146   16.046   12.227   14.379  183.386   35.058  100.255   38.832 83.13102 52.31611 
1 1 1   -8   24    9 o  170.245   26.199   41.015   11.183   37.903   16.757   43.514   15.016  154.660   41.120  170.001   35.255 -15.34113 54.16416 
1 1 1   -8   24   10 o  143.942   34.608   31.449   12.745   78.480   27.327   18.376   14.408  214.926   50.023  111.755   39.670 103.1707 63.84373 
1 1 1   -8   24   11 o   71.446   33.298  -9.2457   15.069   12.990   21.795 -29.6100   20.858  109.358   45.802   70.815   34.582 38.54279 57.39050 
1 1 1   -8   24   12 o  138.498   43.178   31.623   17.165   55.160   26.017   13.480   22.841  173.543   53.003  110.460   46.607 63.08265 70.58048 
1 1 1   -8   24   13 o  166.876   21.035   38.611   8.8903   43.240   23.417   37.831   9.6098  154.557   50.673  163.990   23.276 -9.433075 55.76351 
1 1 1   -8   24   14 o  159.592   22.110   35.693   8.8944   37.150   26.405   35.506   9.4465  141.451   53.143  158.266   23.778 -16.81543 58.21991 
1 1 1   -8   24   15 o  194.083   18.868   51.677   9.3654   60.720   27.438   50.484   9.9638  176.024   54.545  190.886   20.471 -14.86177 58.25956 
1 1 1   -8   24   16 o  108.765   28.750   17.856   8.2228   24.140   21.725   16.806   8.8837  120.253   47.395  104.901   30.723 15.35257 56.48113 
1 1 1   -8   24   17 o   61.849   26.646   1.0119   7.7448   7.6330   24.137   0.2520   8.1771  101.045   45.142   61.843   27.005 39.20200 52.60304 
1 1 1   -8   24   18 o   75.253   26.852   7.6898   6.6095   7.7030   24.683   7.6888   6.8600  100.387   45.186   75.604   27.312 24.78294 52.79909 
1 1 1   -8   24   19 o   64.147   26.894   2.7552   7.5274   41.360   25.058  -1.0739   7.8919  138.740   51.840   58.021   25.875 80.71915 57.93842 
1 1 1   -8   24   20 o   50.017   23.579  -6.5292   7.9333   0.0000   0.0000  -6.5292   7.9333  ?   ?    50.017   23.579 0.000000 23.57947 
1 1 1   -8   24   21 o  107.337   30.212   18.611   8.7552  -7.0350   22.099   23.386   9.5355   81.383   38.658  120.323   30.542 -38.94066 49.26674 
1 1 1   -8   24   22 o   69.136   27.670   5.5439   7.5139   7.0100   17.448   5.2101   8.3254   86.452   38.520   69.994   28.714 16.45771 48.04410 
1 1 1   -8   24   23 o   64.634   26.975   3.7920   7.5225  -3.8060   16.997   5.6427   8.3888   73.958   34.756   70.468   28.856 3.490280 45.17364 
1 1 1   -8   24   24 o   56.983   25.573  -0.4728   7.8404  -7.4570   17.000   1.4141   8.8363   70.094   33.466   62.849   27.737 7.244873 43.46617 
1 1 1   -8   24   25 o   55.251   27.108 -16.7097   13.278 -26.2700   19.285  -8.0930   18.308   62.184   30.900   70.839   34.062 -8.654964 45.98948 
1 1 1   -8   24   26 o   37.242   18.533 -14.8746   7.0396 -15.7900   20.299 -14.7495   7.5054   68.259   33.496   39.112   19.408 29.14701 38.71247 
1 1 1   -8   24   27 o   60.501   26.176   2.6582   7.5379   24.460   21.576  -0.3727   8.0448   98.730   43.469   56.540   25.591 42.19038 50.44209 
1 1 1   -8   24   28 o   73.198   29.600   8.2339   8.6962   25.180   22.025   5.1042   9.4652   96.761   43.183   67.971   29.370 28.79062 52.22442 
1 1 1   -8   24   29 o   85.467   31.044   13.801   8.8799   35.720   21.434   9.2590   9.7565  105.907   44.942   74.916   30.947 30.99075 54.56655 
1 1 1   -8   24   30 o   56.745   24.901   2.2922   7.0289   17.490   16.275  -1.1927   7.7932   85.628   37.724   52.917   24.413 32.71054 44.93385 
1 1 1   -8   24   31 o   48.081   22.988  -5.1637   8.0802   10.970   22.580  -7.5332   8.6533   77.176   37.287   47.302   22.909 29.87420 43.76279 
1 1 1   -8   24   32 o   81.738   30.689   14.226   8.8028   3.9350   23.385   15.925   9.5018   71.248   35.154   84.656   31.865 -13.40753 47.44653 
1 1 1   -8   24   33 o   69.531   30.606   9.5040   10.691   0.0000   0.0000   9.5040   10.691  ?   ?    69.531   30.606 0.000000 30.60614 
1 1 1   -8   24   34 o   49.894   24.401  -7.1539   10.498   16.790   23.200 -13.3179   11.771   72.837   35.756   48.234   23.997 24.60262 43.06153 
1 1 1   -8   24   35 o   73.177   33.944   16.652   15.371  -7.5410   23.143   35.750   20.562   61.282   30.921   84.452   39.204 -23.17079 49.93044 
1 1 1   -8   24   36 o  124.870   33.281   37.518   10.960   6.5250   21.958   47.802   12.648   64.064   32.014  138.146   35.234 -74.08222 47.60610 
1 1 1   -8   24   37 f   43.436   21.122  -4.8213   7.5543   6.4418   12.009 -12.1956   9.7176   59.882   28.460   42.720   21.340 17.16257 35.57225 
1 1 1   -8   24   38 o   48.332   23.031   0.0287   7.9683   13.719   12.698  -8.8636   10.234   64.489   30.222   44.746   22.280 19.74305 37.54643 
1 1 1   -8   25    1 o  370.291   22.298  187.918   21.288  187.918   21.288   0.0000   0.0000  370.291   22.298  ?   ?  0.000000 22.29814 
1 1 1   -8   25    2 o  316.823   23.043  138.286   18.781  138.286   18.781   0.0000   0.0000  316.823   23.043  ?   ?  0.000000 23.04329 
1 1 1   -8   25    3 o  239.294   17.681   77.149   10.882   80.664   15.588   73.808   15.198  239.880   25.477  228.953   26.092 10.92686 36.46733 
1 1 1   -8   25    4 o  145.911   29.373   31.116   10.717   40.985   15.702   22.507   14.665  162.355   38.007  120.574   40.129 41.78040 55.27060 
1 1 1   -8   25    5 o   61.416   28.323  -5.9911   10.476   26.480   15.719 -31.9439   14.053  128.911   41.462   52.316   26.059 76.59507 48.97086 
1 1 1   -8   25    6 o  182.735   23.688   46.753   10.949   41.484   16.324   51.060   14.761  161.887   39.320  185.871   31.803 -23.98354 50.57110 
1 1 1   -8   25    7 o  296.704   16.748  118.295   12.819   98.585   18.799  135.422   17.525  262.352   28.101  313.753   21.696 -51.40176 35.50186 
1 1 1   -8   25    8 f  310.289   19.089  130.891   15.268  112.500   28.754  138.113   18.019  263.316   43.688  316.219   22.138 -52.90295 48.97699 
1 1 1   -8   25    9 o  136.217   38.414   29.725   14.140   12.860   23.505   39.290   17.701  109.450   46.771  153.450   42.877 -44.00057 63.44984 
1 1 1   -8   25   10 o  135.834   36.568   29.241   13.152   25.310   16.943   35.200   20.861  124.090   43.098  141.122   47.863 -17.03214 64.40743 
1 1 1   -8   25   11 o  118.714   32.529   21.718   10.299   44.491   16.446   7.0241   13.210  165.943   38.931   86.698   35.928 79.24451 52.97620 
1 1 1   -8   25   12 o  113.310   32.749   19.902   10.154   17.272   14.894   22.186   13.879  106.837   39.957  117.087   39.042 -10.25039 55.86440 
1 1 1   -8   25   13 o  116.491   27.643   20.304   8.2156  -2.6380   23.891   23.381   8.7492   92.443   42.681  125.164   27.717 -32.72182 50.89116 
1 1 1   -8   25   14 o   98.003   29.508   14.592   8.1056 -14.8400   22.606   18.935   8.6830   80.781   38.575  111.152   29.622 -30.37099 48.63596 
1 1 1   -8   25   15 o  148.012   24.544   31.887   9.0803   23.490   25.556   33.100   9.7142  117.411   49.406  149.916   25.955 -32.50506 55.80926 
1 1 1   -8   25   16 o  164.253   21.294   38.312   8.8467   16.010   23.706   41.920   9.5356  106.783   46.310  171.427   21.980 -64.64412 51.26208 
1 1 1   -8   25   17 o   89.392   28.586   12.217   7.4801   26.120   19.172   9.7210   8.1240  117.913   45.054   82.226   29.719 35.68666 53.97322 
1 1 1   -8   25   18 o   55.899   25.142  -1.5168   7.6243   0.0000   0.0000  -1.5168   7.6243  ?   ?    55.899   25.142 0.000000 25.14183 
1 1 1   -8   25   19 o  128.423   31.230   26.905   10.288   0.0000   0.0000   26.905   10.288  ?   ?   128.423   31.230 0.000000 31.22952 
1 1 1   -8   25   20 o   49.222   23.328  -6.7348   7.9584 -17.1500   23.875  -5.4330   8.4412   76.184   37.158   52.501   24.615 23.68268 44.57152 
1 1 1   -8   25   21 o   74.412   28.592   7.7914   7.7481   11.240   24.757   7.4169   8.1579   94.133   43.457   73.998   29.081 20.13437 52.28952 
1 1 1   -8   25   22 o  104.548   28.685   18.144   8.0027   16.640   23.698   18.338   8.5022   96.386   43.744  104.083   29.934 -7.696861 53.00557 
1 1 1   -8   25   23 o   97.110   34.885   17.603   11.174   23.970   22.086   15.412   12.954  101.693   44.394   91.631   36.443 10.06283 57.43602 
1 1 1   -8   25   24 o   47.173   23.003 -11.6812   9.1349  -2.2010   20.888 -13.9230   10.158   76.890   36.815   48.497   23.777 28.39259 43.82616 
1 1 1   -8   25   25 f   70.689   28.466   7.0886   8.0061   35.540   22.076   2.7800   8.5910  111.020   46.262   63.016   27.594 48.00378 53.86645 
1 1 1   -8   25   26 o   50.139   23.434  -3.4660   7.5486   1.2660   21.446  -4.1352   8.0647   77.214   37.059   50.900   23.927 26.31400 44.11180 
1 1 1   -8   25   27 o   53.957   25.062  -2.1924   8.4221   25.450   21.854  -7.0140   9.1271   94.612   42.559   50.399   24.185 44.21307 48.95093 
1 1 1   -8   25   28 o   74.718   29.603   9.8025   8.5174   1.2250   18.814   12.014   9.5523   71.975   34.588   79.563   31.405 -7.588364 46.71804 
1 1 1   -8   25   29 o   65.999   27.452   6.5833   7.7532   2.6800   16.700   7.6558   8.7538   69.624   33.222   68.977   28.965 0.6466904 44.07534 
1 1 1   -8   25   30 o   55.668   25.514   0.8114   8.3216  -8.8770   22.196   2.3960   8.9763   65.611   32.692   59.137   26.871 6.473637 42.31829 
1 1 1   -8   25   31 o   82.259   30.896   15.017   8.9238   10.150   23.778   15.815   9.6275   72.609   35.753   82.800   31.858 -10.19159 47.88706 
1 1 1   -8   25   32 o   88.247   33.961   20.598   10.942   0.0000   0.0000   20.598   10.942  ?   ?    88.247   33.961 0.000000 33.96055 
1 1 1   -8   25   33 f   58.974   26.901   4.3576   9.1077  -3.3480   22.584   5.8542   9.9529   62.794   31.534   61.691   28.133 1.103054 42.25946 
1 1 1   -8   25   34 o   63.036   28.569   7.6961   10.064   13.160   23.716   6.4960   11.115   67.425   33.627   61.856   28.751 5.569740 44.24250 
1 1 1   -8   25   35 o   52.473   25.252  -0.6038   10.113   1.6050   16.933  -1.8283   12.608   59.303   29.379   54.318   26.602 4.984756 39.63330 
1 1 1   -8   25   36 o   58.710   26.212   6.9169   8.1240   34.660   24.077   3.3524   8.6301   70.656   35.009   53.831   25.125 16.82493 43.09159 
1 1 1   -8   25   37 o   43.837   21.704  -6.8038   9.1882   23.310   20.576 -14.3048   10.269   64.528   32.040   41.370   20.839 23.15857 38.22070 
1 1 1   -8   26    1 o  230.840   18.703   72.702   11.087   46.941   15.941   96.842   15.431  173.024   36.705  263.465   22.837 -90.44086 43.22898 
1 1 1   -8   26    2 o  149.909   27.218   32.756   10.180   49.988   16.007   21.055   13.191  179.493   35.686  115.521   38.039 63.97124 52.15784 
1 1 1   -8   26    3 o   78.202   31.604   5.8807   9.9071   20.393   15.291  -4.6179   13.006  113.979   40.824   69.996   32.013 43.98268 51.87930 
1 1 1   -8   26    4 o  325.725   17.279  143.507   14.527  122.000   25.921  153.355   17.540  280.776   36.504  334.014   20.371 -53.23813 41.80285 
1 1 1   -8   26    5 o  159.326   37.496   40.578   15.217   40.080   23.838   40.920   19.769  146.249   51.103  152.303   46.134 -6.054214 68.84634 
1 1 1   -8   26    6 o  198.096   34.159   60.296   16.895   36.120   25.922   78.150   22.276  138.312   52.498  219.148   40.742 -80.83664 66.45200 
1 1 1   -8   26    7 o   93.029   35.832   11.512   12.190   22.503   15.401  -6.9270   19.948  117.305   41.070   82.792   38.493 34.51258 56.28945 
1 1 1   -8   26    8 o  101.262   32.595   15.676   9.7131   25.874   16.868   10.618   11.880  123.331   42.994   90.594   35.239 32.73685 55.59011 
1 1 1   -8   26    9 o   68.991   29.924   1.3280   9.9007 -11.1418   15.067   10.804   13.135   68.074   32.215   92.242   36.693 -24.16737 48.82818 
1 1 1   -8   26   10 o  265.592   16.939   95.992   11.592   97.141   18.197   95.207   15.039  257.144   27.760  259.734   22.578 -2.589508 35.78250 
1 1 1   -8   26   11 o   55.907   26.334  -7.8475   9.8570 -28.5917   15.364   6.6639   12.850   56.476   27.980   83.848   35.146 -27.37202 44.92310 
1 1 1   -8   26   12 o   58.008   27.140  -6.7363   10.169   11.343   16.166 -18.5755   13.082   95.212   39.624   56.285   27.464 38.92685 48.21162 
1 1 1   -8   26   13 o   86.284   34.522   9.5125   11.693  -1.3700   23.690   13.017   13.444   90.262   41.960   94.773   37.305 -4.511169 56.14582 
1 1 1   -8   26   14 o  176.893   19.175   43.876   8.6456   41.240   20.760   44.429   9.5095  142.660   47.750  176.554   21.219 -33.89432 52.25206 
1 1 1   -8   26   15 o   44.371   21.335  -8.7488   7.1834  -4.4310   24.191  -9.1663   7.5227   86.757   40.983   45.292   21.792 41.46456 46.41697 
1 1 1   -8   26   16 o   65.208   27.462   3.1946   7.9058   0.0000   0.0000   3.1946   7.9058  ?   ?    65.208   27.462 0.000000 27.46176 
1 1 1   -8   26   17 o  107.665   32.854   19.700   9.9989   0.0000   0.0000   19.700   9.9989  ?   ?   107.665   32.854 0.000000 32.85357 
1 1 1   -8   26   18 o   91.975   26.568   13.417   6.6844   23.690   18.762   11.924   7.1538  107.441   43.468   86.480   27.988 20.96104 51.69881 
1 1 1   -8   26   19 o  111.534   27.584   20.121   7.9247   39.090   22.231   17.360   8.4819  124.712   48.290  101.478   30.102 23.23370 56.90374 
1 1 1   -8   26   20 o   63.495   27.237   3.0666   8.0261 -14.6800   22.622   5.6223   8.5846   73.138   35.779   69.742   28.937 3.395271 46.01606 
1 1 1   -8   26   21 o   69.370   27.838   6.3811   7.6277   11.870   22.498   5.6681   8.1079   89.298   41.295   68.487   28.244 20.81109 50.03021 
1 1 1   -8   26   22 o   69.123   30.568   3.8607   10.785 -28.2600   21.702   14.395   12.429   63.964   31.943   88.132   35.475 -24.16794 47.73761 
1 1 1   -8   26   23 o   61.525   27.603   1.2810   9.1273   2.2720   21.413   1.0610   10.090   78.741   37.585   63.242   28.639 15.49926 47.25233 
1 1 1   -8   26   24 o   88.291   30.159   14.205   8.2831   15.960   21.503   13.899   8.9757   87.805   40.523   86.649   31.251 1.156082 51.17334 
1 1 1   -8   26   25 o   43.242   20.991  -8.5801   7.3739 -25.9200   20.823  -6.0939   7.8849   61.423   30.765   47.577   22.737 13.84583 38.25483 
1 1 1   -8   26   26 f   52.538   24.477  -2.2395   8.1322  -1.8610   19.954  -2.3149   8.9053   70.919   34.450   54.431   25.444 16.48794 42.82775 
1 1 1   -8   26   27 o   72.925   28.906   9.5150   8.1245 -20.8600   17.147   18.308   9.2258   56.479   28.234   94.234   31.830 -37.75477 42.54769 
1 1 1   -8   26   28 o   66.316   27.902   7.0471   8.1488   19.370   19.657   4.4898   8.9545   81.874   38.115   62.480   27.730 19.39403 47.13482 
1 1 1   -8   26   29 o   56.780   25.852   2.0451   8.3613   8.8230   21.655   0.8576   9.0642   72.004   35.178   56.354   26.114 15.65014 43.81134 
1 1 1   -8   26   30 o   50.633   23.955  -1.9153   8.3208 -30.9100   24.279   1.9435   8.8573   57.416   29.249   56.478   26.045 0.9375038 39.16433 
1 1 1   -8   26   31 o   53.362   25.568  -1.7310   10.115   0.0000   0.0000  -1.7310   10.115  ?   ?    53.362   25.568 0.000000 25.56822 
1 1 1   -8   26   32 o   45.659   22.288  -6.2595   8.6409 -14.7700   20.868  -4.4983   9.4929   56.737   28.714   48.957   23.777 7.780262 37.28065 
1 1 1   -8   26   33 o   76.848   30.923   16.114   9.4404 -34.6100   23.871   25.518   10.278   52.782   27.054   95.626   33.548 -42.84423 43.09726 
1 1 1   -8   26   34 o   53.148   25.694   0.2428   10.764   16.210   20.823  -5.5793   12.574   65.183   32.342   51.007   25.278 14.17685 41.04862 
1 1 1   -8   26   35 o   46.925   22.884  -3.1108   9.0471   10.500   22.431  -5.7551   9.8869   60.399   30.472   46.207   22.810 14.19201 38.06353 
1 1 1   -8   26   36 o   61.203   27.549   10.706   9.1751  -1.6000   23.380   12.946   9.9753   54.789   27.979   63.589   28.664 -8.799847 40.05600 
1 1 1   -8   27    1 o  255.432   27.939   96.080   18.184   61.050   26.558  127.000   24.951  173.039   53.669  285.505   34.433 -112.4658 63.76531 
1 1 1   -8   27    2 o  114.702   39.628   21.902   14.315   31.330   22.297   15.290   18.672  129.068   48.760  104.334   42.924 24.73404 64.96187 
1 1 1   -8   27    3 o  123.648   37.098   25.303   12.828   20.872   15.719   34.140   22.198  112.225   41.220  133.356   48.984 -21.13036 64.01996 
1 1 1   -8   27    4 o  193.416   22.441   53.111   11.034   58.820   16.742   48.727   14.671  192.728   34.817  176.414   33.327 16.31422 48.19660 
1 1 1   -8   27    5 o   57.477   26.719  -5.7367   9.6053   2.1454   14.556 -11.8168   12.784   80.320   35.515   60.930   29.071 19.39025 45.89656 
1 1 1   -8   27    6 o   92.956   33.587   12.905   10.375   0.7930   16.335   21.095   13.432   81.831   36.804  112.346   38.405 -30.51516 53.19274 
1 1 1   -8   27    7 o  185.923   22.422   49.350   10.580   31.160   16.271   62.676   13.927  131.675   42.167  205.966   26.734 -74.29161 49.92755 
1 1 1   -8   27    8 o   68.623   29.720   1.9101   9.7371   7.9312   15.552  -1.9717   12.487   88.937   38.026   69.984   31.759 18.95345 49.54362 
1 1 1   -8   27    9 o  109.030   32.291   19.165   9.7660   14.834   15.185   22.220   12.754   98.844   39.411  114.128   37.395 -15.28354 54.32900 
1 1 1   -8   27   10 o   90.880   32.844   12.638   9.9219   23.244   16.356   6.4633   12.481  113.468   41.983   81.372   34.399 32.09588 54.27573 
1 1 1   -8   27   11 o  103.293   32.052   17.362   9.4707   9.8923   14.400   23.055   12.572   88.943   37.238  115.108   37.087 -26.16443 52.55621 
1 1 1   -8   27   12 o   63.379   28.494  -0.8769   9.7806   6.8343   15.548  -5.9265   12.582   85.340   37.252   64.616   30.218 20.72423 47.96649 
1 1 1   -8   27   13 o   71.022   29.730   4.7275   9.1767  -0.0908   13.632   8.7202   12.409   72.987   33.145   83.493   34.729 -10.50591 48.00735 
1 1 1   -8   27   14 o   59.235   29.349 -26.5000   16.915   0.0000   0.0000 -26.5000   16.915  ?   ?    59.235   29.349 0.000000 29.34871 
1 1 1   -8   27   15 o   81.639   28.991   10.382   7.6954   37.380   24.785   7.5018   8.0954  121.397   49.642   74.298   29.037 47.09944 57.51069 
1 1 1   -8   27   16 o  163.407   20.842   39.132   8.6211   25.140   23.229   41.367   9.2842  105.804   45.864  166.992   21.999 -61.18778 50.86676 
1 1 1   -8   27   17 o   82.865   29.163   11.194   7.7702   15.840   21.521   10.497   8.3323   94.359   42.357   80.992   29.966 13.36710 51.88467 
1 1 1   -8   27   18 o   61.676   26.288   3.0912   7.3910  -8.8440   18.445   5.3741   8.0670   70.055   33.811   67.875   28.097 2.180176 43.96213 
1 1 1   -8   27   19 o   77.265   29.068   9.6023   7.9049   20.470   18.949   7.3125   8.6979   96.258   41.575   72.412   29.486 23.84613 50.96923 
1 1 1   -8   27   20 o   47.108   22.390  -5.7696   7.4351   3.9860   20.328  -7.2763   7.9887   79.386   37.522   47.300   22.679 32.08667 43.84362 
1 1 1   -8   27   21 o   55.297   26.232  -5.2964   10.110 -16.5800   21.380  -2.0465   11.474   67.304   33.284   61.839   28.899 5.464680 44.07892 
1 1 1   -8   27   22 o   64.216   28.074   3.7992   8.8608  -0.6706   20.794   4.7909   9.7947   74.402   35.907   67.360   29.481 7.042007 46.45860 
1 1 1   -8   27   23 o   74.152   28.194   9.3736   7.4850   1.7110   20.758   10.519   8.0248   74.659   35.992   77.099   29.222 -2.439972 46.36103 
1 1 1   -8   27   24 o   56.772   25.406   1.4803   7.6789  -8.5860   19.302   3.3730   8.3697   66.111   32.486   61.377   27.046 4.733734 42.27074 
1 1 1   -8   27   25 o   95.181   30.828   18.184   8.6780   40.060   18.330   11.864   9.8520  111.788   43.691   77.549   31.455 34.23898 53.83634 
1 1 1   -8   27   26 o   60.801   26.789   4.1125   8.2099   13.850   15.888   0.5652   9.5894   77.576   35.442   57.851   26.826 19.72546 44.44976 
1 1 1   -8   27   27 o   51.080   24.115  -2.2388   8.3530   13.750   19.295  -5.9264   9.2663   74.907   35.733   49.357   23.856 25.55019 42.96494 
1 1 1   -8   27   28 o   76.554   29.599   12.854   8.3428 -16.0300   21.959   17.727   9.0191   59.824   30.178   87.406   31.348 -27.58184 43.51315 
1 1 1   -8   27   29 o   56.922   25.958   3.3271   8.4739   0.0000   0.0000   3.3271   8.4739  ?   ?    56.922   25.958 0.000000 25.95850 
1 1 1   -8   27   30 o   45.016   22.049  -7.0791   8.6718 -47.1000   21.302   0.8709   9.4941   48.952   25.123   54.198   25.625 -5.245411 35.88563 
1 1 1   -8   27   31 o   41.352   20.447  -9.1626   8.0585 -20.1700   16.948  -5.9467   9.1603   50.456   25.573   46.400   22.713 4.055637 34.20336 
1 1 1   -8   27   32 o   52.426   24.736   1.6721   8.7635   6.2220   22.880   0.8898   9.4870   61.415   30.957   52.437   25.026 8.977230 39.80791 
1 1 1   -8   27   33 o   69.334   32.795   21.309   15.581   17.290   23.401   24.510   20.883   63.065   31.728   66.943   33.066 -3.878651 45.82569 
1 1 1   -8   27   34 o   60.409   27.204   9.6023   8.9579   28.320   18.593   3.9439   10.223   68.017   33.089   53.655   25.707 14.36205 41.90205 
1 1 1   -8   27   35 o   41.667   20.609  -5.7580   8.2093   17.880   23.467  -9.0541   8.7630   58.069   29.500   40.446   20.213 17.62364 35.76063 
1 1 1   -8   28    1 o  193.331   21.939   53.628   10.792   73.883   16.011   36.761   14.610  220.024   28.782  145.331   38.278 74.69330 47.89211 
1 1 1   -8   28    2 o  219.853   19.229   67.745   10.840   63.456   17.177   70.585   13.975  196.945   34.950  218.823   25.109 -21.87836 43.03488 
1 1 1   -8   28    3 o  219.308   19.876   67.805   11.168   60.574   17.145   73.135   14.720  190.960   35.981  221.532   26.156 -30.57118 44.48337 
1 1 1   -8   28    4 o  105.622   31.430   18.079   9.2361   17.136   15.071   18.647   11.688  101.541   39.637  105.062   35.825 -3.521782 53.42770 
1 1 1   -8   28    5 o  108.071   33.279   19.415   10.232  -0.4913   15.656   34.259   13.519   77.173   35.229  140.955   36.676 -63.78223 50.85421 
1 1 1   -8   28    6 o   92.626   32.902   13.672   9.9124   1.5827   14.790   23.531   13.356   77.709   34.978  114.643   38.300 -36.93362 51.86874 
1 1 1   -8   28    7 o  130.847   30.989   27.727   10.341   35.803   16.059   22.006   13.517  137.424   41.569  110.548   38.489 26.87630 56.65165 
1 1 1   -8   28    8 o  179.707   22.652   47.265   10.310   30.491   15.851   59.565   13.574  125.425   41.719  197.124   27.318 -71.69910 49.86696 
1 1 1   -8   28    9 o   79.529   31.305   8.7071   9.4672   23.225   15.032  -0.8380   12.188  110.600   40.357   68.756   31.269 41.84419 51.05286 
1 1 1   -8   28   10 o   70.571   30.304   3.9407   9.9546 -20.6300   18.671   13.700   11.767   65.770   32.244   91.419   35.207 -25.64856 47.74085 
1 1 1   -8   28   11 o  100.788   34.686   17.983   10.962  -9.7980   19.479   30.860   13.261   73.344   35.232  128.980   37.469 -55.63525 51.43151 
1 1 1   -8   28   12 o  104.593   36.750   20.471   12.336   23.360   18.270   18.050   16.724  105.621   42.837   98.044   40.510 7.577133 58.95863 
1 1 1   -8   28   13 o   65.901   29.560   1.0604   10.460   1.0712   13.826   1.0460   15.997   72.298   33.043   75.600   34.912 -3.302544 48.06963 
1 1 1   -8   28   14 o   67.915   29.768   3.2926   10.019 -13.3300   20.333   8.6229   11.514   70.447   34.345   78.959   33.191 -8.511833 47.76207 
1 1 1   -8   28   15 o  102.941   29.902   18.390   8.4462   12.660   22.401   19.340   9.1192   89.616   41.359  104.286   31.276 -14.67043 51.85333 
1 1 1   -8   28   16 f   46.616   22.387  -7.6536   7.8548  -3.6190   22.539  -8.2114   8.3802   77.022   37.223   47.810   23.003 29.21184 43.75698 
1 1 1   -8   28   17 o   69.958   27.421   7.2192   7.2357 -11.0400   22.593   9.3061   7.6380   72.073   35.361   75.696   28.553 -3.623230 45.44957 
1 1 1   -8   28   18 o   97.112   30.537   17.307   8.5646   9.3230   21.336   18.841   9.3511   82.677   38.882   99.804   31.967 -17.12657 50.33575 
1 1 1   -8   28   19 o   87.380   33.384   15.004   10.526   18.500   19.062   13.471   12.626   89.339   40.000   83.595   34.923 5.743690 53.09986 
1 1 1   -8   28   20 o   80.088   30.591   11.766   8.8367   14.930   17.870   10.742   10.167   84.391   38.174   77.710   31.788 6.680412 49.67585 
1 1 1   -8   28   21 o   77.272   28.474   10.722   7.5096   5.0660   16.799   12.134   8.3951   73.370   34.504   80.479   30.018 -7.108147 45.73396 
1 1 1   -8   28   22 o   65.673   27.345   6.2978   7.7045   24.980   17.653   1.9017   8.5632   92.775   40.099   58.967   26.572 33.80790 48.10378 
1 1 1   -8   28   23 o   57.661   25.456   2.7853   7.4490   41.700   17.500  -5.8251   8.2319  115.979   43.324   47.766   22.934 68.21281 49.02023 
1 1 1   -8   28   24 o   51.018   24.037  -2.4545   8.2206  -1.5120   16.793  -2.7515   9.4275   64.764   31.493   53.440   25.345 11.32360 40.42523 
1 1 1   -8   28   25 o   45.780   22.086  -5.7589   7.8513 -19.1000   15.244  -0.9425   9.1596   52.206   26.174   54.150   25.469 -1.944187 36.52047 
1 1 1   -8   28   26 o   79.780   30.509   14.623   8.7958   27.910   20.532   11.636   9.7343   81.787   38.360   72.209   30.445 9.578110 48.97319 
1 1 1   -8   28   27 o   51.860   24.099   0.5897   7.8015 -18.6900   21.669   3.4611   8.3623   57.146   28.959   56.821   25.864 0.3250618 38.82709 
1 1 1   -8   28   28 o   56.784   25.399   4.5199   7.6655   0.0000   0.0000   4.5199   7.6655  ?   ?    56.784   25.399 0.000000 25.39915 
1 1 1   -8   28   29 o  111.604   31.058   29.198   9.3076 -23.8100   22.551   40.081   10.219   53.966   27.552  135.977   29.832 -82.01115 40.60865 
1 1 1   -8   28   30 o   65.076   27.093   9.9065   7.5621   14.270   17.880   8.9559   8.3452   64.782   31.716   62.588   27.307 2.194153 41.85187 
1 1 1   -8   28   31 o   43.280   21.655 -11.4709   10.192   14.600   22.416 -18.2643   11.443   62.252   31.283   42.152   21.325 20.10002 37.85954 
1 1 1   -8   28   32 o   54.596   26.021   4.7633   10.184   28.230   23.731  -0.5339   11.275   64.339   32.312   50.869   24.963 13.47011 40.83124 
1 1 1   -8   28   33 o   38.759   19.385  -9.9785   8.1312 -29.6900   17.693  -4.7004   9.1554   44.654   22.915   44.264   21.869 0.3896790 31.67623 
1 1 1   -8   28   34 o   49.689   23.594   3.7822   8.2159   23.150   22.688   0.8591   8.8141   57.664   29.265   47.158   22.905 10.50609 37.16258 
1 1 1   -8   29    1 o  212.730   20.683   65.428   11.253   64.425   17.079   66.198   14.959  193.451   35.388  204.268   29.095 -10.81703 45.81282 
1 1 1   -8   29    2 o  141.478   28.906   32.090   10.235   13.373   15.893   45.355   13.379   92.241   38.896  164.880   32.481 -72.63879 50.67512 
1 1 1   -8   29    3 o  146.477   27.974   33.984   10.227   32.552   15.932   34.987   13.338  126.775   41.808  139.276   36.521 -12.50079 55.51286 
1 1 1   -8   29    4 o   71.702   29.778   5.6547   9.1028   11.350   15.238   2.4942   11.351   88.463   37.726   70.607   31.285 17.85564 49.01003 
1 1 1   -8   29    5 o  186.505   22.649   51.695   10.717   50.298   16.845   52.645   13.891  162.427   40.243  178.774   31.128 -16.34744 50.87735 
1 1 1   -8   29    6 o  155.264   29.138   39.038   11.288   70.910   21.155   26.350   13.347  186.878   44.365  116.697   38.256 70.18045 58.58159 
1 1 1   -8   29    7 o   45.356   22.609 -21.7584   10.661  -0.5780   19.949 -30.2252   12.613   79.547   37.467   46.409   23.341 33.13765 44.14293 
1 1 1   -8   29    8 o   68.440   31.242   0.1832   12.313 -21.5500   18.938   16.100   16.207   64.233   31.682   93.808   39.403 -29.57427 50.56010 
1 1 1   -8   29    9 o  195.633   24.618   59.036   12.199   62.239   16.293   54.950   18.402  186.967   34.926  162.020   43.098 24.94673 55.47276 
1 1 1   -8   29   10 o  175.228   25.575   48.288   11.266   58.374   15.047   35.420   16.996  182.925   32.969  124.502   43.171 58.42268 54.31980 
1 1 1   -8   29   11 o   39.176   19.671 -21.4270   8.7766  -2.1665   13.282 -36.3537   11.693   66.503   31.083   40.899   20.782 25.60480 37.39060 
1 1 1   -8   29   12 o  200.016   19.744   58.996   10.096   70.340   15.523   50.681   13.291  202.988   30.464  171.116   31.133 31.87151 43.55795 
1 1 1   -8   29   13 o  147.770   26.299   35.553   9.6975   38.778   14.308   32.813   13.189  136.671   38.676  126.410   37.545 10.26173 53.90268 
1 1 1   -8   29   14 o   88.310   29.609   13.976   7.9823   9.1812   10.543   20.416   12.218   76.457   31.924   98.497   36.317 -22.03973 48.35386 
1 1 1   -8   29   15 o   82.751   32.754   12.732   10.418 -19.8000   23.031   21.101   11.681   67.175   33.444   99.994   35.696 -32.81931 48.91504 
1 1 1   -8   29   16 o   57.784   25.917   1.1321   8.0396   61.810   23.977  -6.5544   8.5337  135.051   50.660   49.088   23.511 85.96280 55.84954 
1 1 1   -8   29   17 o   80.304   33.571   12.305   11.678 -20.2100   22.809   23.858   13.595   65.436   32.689   99.992   38.003 -34.55575 50.12767 
1 1 1   -8   29   18 o   62.301   29.626  -2.4790   13.047  -1.8850   20.229  -2.9020   17.072   70.891   34.494   67.262   32.480 3.628922 47.37913 
1 1 1   -8   29   19 o   57.456   26.170   0.8859   8.5787 -14.4600   17.343   5.8569   9.8708   60.042   29.743   67.117   29.479 -7.075466 41.87667 
1 1 1   -8   29   20 o   44.627   21.398  -5.6238   7.1127   6.2490   15.935  -8.5777   7.9484   71.531   33.628   44.267   21.558 27.26381 39.94460 
1 1 1   -8   29   21 o   72.335   28.360   9.7864   7.7414   9.8600   16.795   9.7665   8.7235   73.764   34.628   72.085   29.461 1.679077 45.46462 
1 1 1   -8   29   22 o   46.565   22.177  -4.0100   7.3699   8.1950   16.142  -7.2244   8.2837   70.654   33.407   45.780   22.229 24.87313 40.12695 
1 1 1   -8   29   23 o   75.346   30.009   12.341   8.7947   17.780   17.014   10.358   10.274   77.310   35.808   70.648   30.563 6.662613 47.07734 
1 1 1   -8   29   24 f   50.873   23.997  -1.2230   8.2394  -4.5830   18.597  -0.4024   9.1907   60.976   30.307   53.620   25.309 7.355663 39.48508 
1 1 1   -8   29   25 f   55.319   25.451   2.6365   8.3895 -13.3800   20.274   5.9459   9.2156   57.315   28.922   60.864   27.483 -3.548740 39.89769 
1 1 1   -8   29   26 o   57.106   25.431   4.9475   7.5947   0.0000   0.0000   4.9475   7.5947  ?   ?    57.106   25.431 0.000000 25.43090 
1 1 1   -8   29   27 o   69.114   29.807   12.876   9.7109   0.0000   0.0000   12.876   9.7109  ?   ?    69.114   29.807 0.000000 29.80687 
1 1 1   -8   29   28 o   68.652   28.597   12.411   8.4312 -25.4000   22.402   18.651   9.1003   52.019   26.629   80.683   30.990 -28.66381 40.85939 
1 1 1   -8   29   29 o   53.833   24.713   4.4518   7.8507 -15.4000   17.929   9.1608   8.7323   50.519   25.676   61.127   27.242 -10.60875 37.43531 
1 1 1   -8   29   30 o   45.864   22.621  -4.6573   9.6502   4.3360   20.035  -7.3741   11.012   56.571   28.571   46.029   22.950 10.54185 36.64699 
1 1 1   -8   29   31 o   41.139   20.468  -7.7138   8.5681  -7.8680   22.908  -7.6887   9.2387   52.370   26.818   42.355   21.102 10.01500 34.12511 
1 1 1   -8   29   32 o   61.545   26.851   11.745   8.0692   49.340   22.871   6.4003   8.6238   66.782   33.261   53.076   24.883 13.70588 41.53875 
1 1 1   -8   29   33 o   64.402   27.169   14.021   7.7593   11.580   17.989   14.579   8.6005   53.124   26.859   62.985   27.594 -9.861034 38.50764 
1 1 1   -8   30    1 o   90.706   35.721   15.369   12.332  -2.2240   19.463   27.170   15.940   75.514   35.986  109.763   41.280 -34.24891 54.76338 
1 1 1   -8   30    2 o   87.768   34.450   13.871   11.435   24.740   17.865   6.3280   14.882  103.245   42.174   78.135   35.136 25.11053 54.89303 
1 1 1   -8   30    3 o  149.281   28.953   37.236   10.792   47.920   14.226   22.750   16.563  161.498   35.015  100.981   40.846 60.51711 53.79990 
1 1 1   -8   30    4 o  119.041   33.982   26.547   10.996   17.229   14.176   40.620   17.423   92.956   37.722  131.528   43.737 -38.57214 57.75702 
1 1 1   -8   30    5 o  135.212   31.184   32.106   10.699   50.150   14.159   8.0950   16.333  166.126   34.048   80.737   36.511 85.38843 49.92281 
1 1 1   -8   30    6 o   96.378   31.700   17.054   9.1617   19.637   15.085   15.545   11.532   95.685   38.882   90.153   34.816 5.531761 52.19186 
1 1 1   -8   30    7 o   76.646   30.091   9.5029   8.7259   0.7834   12.782   17.113   11.941   67.818   31.279   92.706   35.525 -24.88764 47.33298 
1 1 1   -8   30    8 o  119.866   30.412   25.587   9.4577   8.3935   14.893   37.206   12.243   78.709   35.290  140.823   33.959 -62.11380 48.97546 
1 1 1   -8   30    9 o   55.708   25.888  -2.3962   9.0052  -4.3992   14.054  -1.0012   11.729   64.220   30.597   63.381   29.484 0.8393135 42.49136 
1 1 1   -8   30   10 o   89.939   31.407   15.268   9.0032   21.299   13.240   10.081   12.279   97.824   37.426   78.311   33.643 19.51318 50.32435 
1 1 1   -8   30   11 o   43.163   21.211 -11.9580   8.2307   6.0605   13.293 -23.1619   10.482   72.980   32.976   42.709   21.452 30.27097 39.33957 
1 1 1   -8   30   12 o   77.633   30.203   10.754   8.7285   12.033   13.488   9.8325   11.449   80.392   34.898   76.414   32.647 3.977890 47.78857 
1 1 1   -8   30   13 o   73.923   28.810   9.4089   7.9527   6.2103   11.474   12.366   11.032   70.360   31.301   80.182   32.992 -9.822403 45.47794 
1 1 1   -8   30   14 o   38.542   19.211 -15.1646   7.6937  -2.8393   12.009 -23.7445   10.020   60.169   28.557   40.696   20.510 19.47248 35.15900 
1 1 1   -8   30   15 o   53.900   25.693  -4.5983   9.9356 -16.4800   20.525  -0.9620   11.355   63.122   31.449   60.494   28.422 2.627636 42.38969 
1 1 1   -8   30   16 o   96.745   34.461   21.110   10.882   8.3770   20.783   25.919   12.772   75.734   36.383  102.473   37.229 -26.73922 52.05548 
1 1 1   -8   30   17 o   46.969   22.837  -8.2581   8.8226  -4.6950   19.576  -9.1663   9.8831   66.350   32.626   48.955   23.884 17.39492 40.43409 
1 1 1   -8   30   18 o   69.018   28.118   8.4749   7.9149   17.210   19.220   6.6911   8.6856   79.594   37.262   65.742   28.271 13.85209 46.77297 
1 1 1   -8   30   19 o   64.711   27.023   6.9110   7.5551   32.600   18.507   1.7741   8.2761   93.918   40.825   56.397   25.694 37.52053 48.23724 
1 1 1   -8   30   20 o   46.508   22.043  -3.1017   7.1091 -15.3100   17.934  -0.8257   7.7435   57.037   28.566   51.077   23.826 5.960644 37.19778 
1 1 1   -8   30   21 o   94.490   29.985   19.395   8.2422   30.400   18.135   16.530   9.2532   86.893   38.952   83.138   31.411 3.754303 50.03905 
1 1 1   -8   30   22 o   65.149   27.597   8.3963   8.0591   1.5120   17.905   10.145   9.0249   62.612   30.868   68.256   29.069 -5.644161 42.40112 
1 1 1   -8   30   23 o   66.147   28.288   9.6105   8.6101   11.620   18.950   9.0877   9.6654   66.748   32.673   64.937   28.816 1.810249 43.56447 
1 1 1   -8   30   24 o   36.930   18.422 -11.5723   7.1334   3.3150   20.232 -13.6857   7.6229   61.219   30.613   36.943   18.520 24.27583 35.77867 
1 1 1   -8   30   25 o   49.404   23.253   0.5778   7.6588   0.0000   0.0000   0.5778   7.6588  ?   ?    49.404   23.253 0.000000 23.25289 
1 1 1   -8   30   26 o   49.714   23.902  -0.2731   9.0104  -2.6510   22.507   0.1807   9.8327   56.946   28.926   51.146   24.686 5.799965 38.02715 
1 1 1   -8   30   27 o   63.389   27.791   10.957   8.7381   23.070   22.618   8.8317   9.4737   63.629   31.898   59.631   27.291 3.997643 41.97937 
1 1 1   -8   30   28 o   65.919   28.460   13.286   8.8732  -4.4710   20.902   17.190   9.8000   53.507   27.246   70.760   30.218 -17.25330 40.68753 
1 1 1   -8   30   29 o   39.106   19.779 -15.1629   9.8046 -32.4400   16.226  -5.2267   12.305   42.387   21.764   47.409   23.732 -5.021896 32.20039 
1 1 1   -8   30   30 o   49.318   24.215   1.8745   10.657   27.590   22.352  -5.6896   12.123   59.127   29.900   45.949   23.078 13.17820 37.77034 
1 1 1   -8   30   31 o   39.800   19.957  -8.0149   8.8799 -38.1600   22.912  -2.6863   9.6328   44.240   22.843   44.107   21.904 0.1329041 31.64792 
1 1 1   -8   30   32 o   49.480   24.430   6.4890   11.361   2.8620   20.565   8.0820   13.629   48.615   24.931   50.185   25.100 -1.569363 35.37739 
1 1 1   -8   31    1 o  195.108   20.270   57.696   10.095   38.337   15.154   73.137   13.534  127.652   40.675  211.961   25.141 -84.30873 47.81726 
1 1 1   -8   31    2 o  145.052   25.582   34.711   9.2605   33.279   14.285   35.749   12.162  119.401   39.599  134.408   34.696 -15.00673 52.64889 
1 1 1   -8   31    3 o   68.092   29.004   6.1007   8.9869 -10.4833   13.556   19.103   12.004   57.671   28.100   93.806   35.695 -36.13577 45.42873 
1 1 1   -8   31    4 o   86.528   30.742   14.218   8.6542   21.817   12.865   7.9358   11.696   97.785   37.015   73.606   32.215 24.17829 49.07021 
1 1 1   -8   31    5 o  149.594   25.899   37.321   9.6724   37.400   14.863   37.264   12.739  125.193   40.323  134.521   35.893 -9.327484 53.98415 
1 1 1   -8   31    6 o  183.273   20.764   51.708   9.6836   56.505   14.431   47.779   13.061  171.725   33.645  158.787   32.839 12.93822 47.01461 
1 1 1   -8   31    7 o  111.075   30.579   23.312   9.0763   22.781   14.134   23.684   11.840   96.102   38.115  102.811   36.011 -6.709320 52.43617 
1 1 1   -8   31    8 f   48.156   23.291  -7.9120   8.8677  -0.0983   13.892 -13.2852   11.520   65.545   30.992   50.686   24.944 14.85879 39.78339 
1 1 1   -8   31    9 o   58.035   26.060   1.7491   8.1538 -10.1133   12.517   10.492   10.747   54.854   26.788   75.713   31.959 -20.85904 41.70050 
1 1 1   -8   31   10 o  124.799   30.114   29.224   9.6233   37.415   14.687   23.063   12.738  121.685   40.143   97.265   36.829 24.42025 54.47769 
1 1 1   -8   31   11 o   60.863   27.335   2.9043   8.9758  -0.6246   13.187   5.9508   12.252   63.079   29.934   68.986   31.365 -5.906826 43.35619 
1 1 1   -8   31   12 o   88.879   29.780   15.692   8.0751   23.864   12.370   9.6249   10.659   98.218   36.477   72.813   31.315 25.40537 48.07539 
1 1 1   -8   31   13 o   50.026   23.727  -3.6355   8.2640 -17.6661   11.368   12.086   12.034   46.634   23.262   76.176   33.016 -29.54208 40.38756 
1 1 1   -8   31   14 o   51.292   25.445 -14.5094   12.866 -10.7700   19.485 -17.4000   17.131   62.312   30.980   56.620   28.291 5.691631 41.95402 
1 1 1   -8   31   15 o   68.237   28.352   8.3903   8.2578   5.4708   10.319   13.590   13.771   64.500   29.107   76.141   34.051 -11.64074 44.79638 
1 1 1   -8   31   16 o   53.282   24.401   0.8271   7.5907  -4.1460   20.215   1.6434   8.1901   64.378   31.930   55.658   25.436 8.719837 40.82250 
1 1 1   -8   31   17 o   89.661   29.637   17.207   8.0042   33.260   20.656   14.371   8.6826   87.253   40.066   79.963   30.375 7.290237 50.27860 
1 1 1   -8   31   18 o   51.691   23.865   0.5718   7.4689   11.340   19.506  -1.2783   8.0851   69.899   33.979   50.522   23.813 19.37725 41.49249 
1 1 1   -8   31   19 o  127.316   26.854   31.189   8.5774   25.090   19.513   32.649   9.5494   77.378   36.630  124.847   29.920 -47.46925 47.29652 
1 1 1   -8   31   20 o   52.800   24.524   1.5269   8.0634  -1.6940   17.918   2.3448   9.0294   59.596   29.642   55.186   25.738 4.409550 39.25691 
1 1 1   -8   31   21 o   54.976   25.099   3.7167   7.9495   6.7980   18.486   3.0176   8.8052   62.541   30.932   54.911   25.545 7.630119 40.11662 
1 1 1   -8   31   22 o   58.087   25.826   6.2819   7.8002   8.1040   19.291   5.9257   8.5285   61.721   30.709   57.775   26.229 3.946743 40.38551 
1 1 1   -8   31   23 o   71.613   30.797   16.293   10.308   0.0000   0.0000   16.293   10.308  ?   ?    71.613   30.797 0.000000 30.79652 
1 1 1   -8   31   24 o   48.027   23.362  -1.7875   9.2619 -38.5700   21.943   6.1866   10.217   47.788   24.563   56.564   26.694 -8.775906 36.27533 
1 1 1   -8   31   25 o   45.781   22.303  -2.3807   8.5286  -4.5770   21.659  -1.9777   9.2782   53.923   27.483   47.199   23.053 6.723267 35.87141 
1 1 1   -8   31   26 o   57.058   26.263   8.2931   8.9461   43.240   22.974   2.0468   9.7128   67.656   33.637   50.385   24.371 17.27039 41.53773 
1 1 1   -8   31   27 o   44.445   21.848  -2.8352   8.7558   20.300   21.723  -7.3229   9.5674   58.238   29.453   42.526   21.233 15.71185 36.30885 
1 1 1   -8   31   28 o   45.131   22.446  -3.2347   10.265  -3.6230   17.903  -3.0445   12.529   49.474   25.195   47.129   23.642 2.345455 34.55052 
1 1 1   -8   31   29 o   41.167   20.765  -9.0490   10.391   10.550   19.958 -16.3370   12.171   52.082   26.531   40.376   20.581 11.70619 33.57736 
1 1 1   -8   31   30 o   53.268   25.217   10.250   9.2487   21.660   23.014   8.0526   10.100   52.064   26.678   50.641   24.579 1.423424 36.27433 
1 1 1   -8   32    1 o   52.299   24.893  -4.1004   9.2544  -6.1581   14.035  -2.5178   12.309   59.545   28.917   59.806   28.533 -0.2613716 40.62423 
1 1 1   -8   32    2 o   57.768   26.569   0.7369   9.1323 -18.0474   13.493   16.616   12.405   51.197   25.507   84.174   34.844 -32.97704 43.18180 
1 1 1   -8   32    3 o   52.642   24.819  -2.7144   8.7918   2.9305   13.102  -7.3378   11.858   65.886   30.819   54.821   26.613 11.06529 40.71958 
1 1 1   -8   32    4 o   79.866   30.477   12.910   8.7657   24.300   13.341   4.2577   11.628   96.273   37.372   65.664   30.119 30.60909 47.99820 
1 1 1   -8   32    5 o   67.196   28.170   7.3266   8.2579   14.982   12.611   1.5795   10.926   80.636   34.352   61.458   28.546 19.17762 44.66491 
1 1 1   -8   32    6 o   83.956   31.118   14.877   8.9933   0.0193   13.062   28.269   12.401   62.514   29.702  106.755   36.883 -44.24092 47.35617 
1 1 1   -8   32    7 o   62.513   27.222   5.1063   8.2588   26.380   13.390  -7.9553   10.492   98.770   37.673   51.019   24.829 47.75110 45.11910 
1 1 1   -8   32    8 o  101.876   30.318   21.060   8.5935   4.2268   11.594   41.585   12.802   64.619   29.799  136.492   35.775 -71.87365 46.55976 
1 1 1   -8   32    9 o   82.301   30.475   14.425   8.6217   25.095   12.098   3.4133   12.290   98.601   36.171   64.035   29.920 34.56575 46.94162 
1 1 1   -8   32   10 o   85.640   29.447   15.220   7.9000   7.8359   11.056   22.922   11.292   68.036   30.463   95.498   34.958 -27.46227 46.36837 
1 1 1   -8   32   11 o   61.017   27.896   3.7359   9.8643   5.6340   18.315   2.9602   11.708   68.650   33.268   62.108   29.078 6.541557 44.18455 
1 1 1   -8   32   12 o   56.327   27.160  -2.8434   11.836 -15.1700   15.894   12.500   17.733   54.472   27.223   72.555   34.512 -18.08288 43.95654 
1 1 1   -8   32   13 f   40.669   20.221 -12.8209   8.3078 -13.2421   10.431 -12.0900   13.740   45.738   22.728   52.519   26.095 -6.781055 34.60481 
1 1 1   -8   32   14 o   62.333   27.296   6.4702   8.4075   4.9407   11.970   7.9594   11.811   62.607   29.340   65.889   30.271 -3.282795 42.15694 
1 1 1   -8   32   15 o   79.753   29.806   14.821   8.2847   8.0661   12.176   20.645   11.305   65.218   30.237   84.938   33.959 -19.71953 45.46987 
1 1 1   -8   32   16 o   65.453   28.782   9.1163   9.4340   4.8540   21.464   10.137   10.503   64.328   32.068   66.807   29.817 -2.479942 43.78829 
1 1 1   -8   32   17 o   57.983   25.993   5.2874   8.0760   14.010   20.468   3.6790   8.7891   67.027   33.036   56.209   25.929 10.81725 41.99680 
1 1 1   -8   32   18 o   45.157   21.959  -4.6698   8.1667   36.210   19.283 -13.6049   9.0151   80.503   37.568   40.491   20.275 40.01255 42.68995 
1 1 1   -8   32   19 o   64.936   27.789   10.321   8.3200   17.090   18.469   8.5982   9.3191   65.915   32.263   61.485   27.712 4.430042 42.53054 
1 1 1   -8   32   20 o   36.214   18.035  -9.9045   6.7186   7.8820   17.668 -12.9114   7.2643   59.678   29.641   35.720   17.930 23.95808 34.64254 
1 1 1   -8   32   21 o   66.873   30.086   15.162   10.926   0.0000   0.0000   15.162   10.926  ?   ?    66.873   30.086 0.000000 30.08578 
1 1 1   -8   32   22 o   50.431   24.371   1.3993   9.6589 -21.5200   21.587   7.1364   10.800   49.821   25.549   56.361   26.844 -6.540619 37.05898 
1 1 1   -8   32   23 o   37.845   19.061 -13.0869   8.5789 -10.3000   20.376 -13.6874   9.4580   50.831   25.971   39.297   19.820 11.53453 32.67040 
1 1 1   -8   32   24 o   41.990   20.829  -5.8314   8.6124   5.6920   21.731  -7.9785   9.3805   54.118   27.578   41.852   20.915 12.26609 34.61228 
1 1 1   -8   32   25 o   39.760   19.881  -8.1826   8.5253   43.170   22.138 -17.1242   9.2377   64.238   32.107   36.466   18.524 27.77189 37.06740 
1 1 1   -8   32   26 o   45.481   22.265   0.1225   8.8077   23.940   22.100  -4.3746   9.6033   55.967   28.452   43.102   21.481 12.86505 35.65000 
1 1 1   -8   32   27 o   59.476   28.801   21.907   13.665   50.840   21.569   2.5060   17.662   62.856   31.458   48.949   24.937 13.90739 40.14251 
1 1 1   -8   32   28 o   50.773   24.312   8.4213   9.1124   6.9850   18.307   8.8943   10.506   48.631   24.828   50.543   24.651 -1.912243 34.98780 
1 1 1   -8   32   29 o   39.572   19.691  -2.6327   7.9394   0.2682   21.862  -3.0734   8.5211   45.683   23.533   39.926   19.950 5.757256 30.85123 
1 1 1   -8   33    1 o   57.802   25.702   3.6299   7.7273  -8.5420   11.428   13.882   10.488   51.337   25.180   76.879   31.949 -25.54197 40.67873 
1 1 1   -8   33    2 o   68.780   27.612   9.0919   7.5076   18.788   11.554   2.0050   9.8772   84.459   34.131   58.443   27.144 26.01664 43.60861 
1 1 1   -8   33    3 o   73.293   28.894   11.180   8.0764   5.9241   11.898   15.671   10.998   64.925   30.027   79.308   32.817 -14.38262 44.48082 
1 1 1   -8   33    4 o   62.500   26.742   6.3261   7.7018   23.267   10.800 -11.2033   10.986   95.663   34.305   48.424   23.931 47.23880 41.82690 
1 1 1   -8   33    5 o   68.904   28.237   9.4370   8.0405   10.915   11.955   8.2160   10.865   70.647   31.651   66.876   30.052 3.770309 43.64547 
1 1 1   -8   33    6 o   59.391   26.405   4.6173   8.1529   11.634   11.510  -2.4497   11.550   71.392   31.574   55.684   26.845 15.70752 41.44360 
1 1 1   -8   33    7 o  116.052   29.204   27.340   8.7720   18.448   12.923   34.937   11.945   79.752   34.390  117.408   35.925 -37.65679 49.73170 
1 1 1   -8   33    8 o   52.615   25.283  -2.6852   10.049   6.2270   19.963  -5.7102   11.630   66.728   32.838   52.711   25.758 14.01633 41.73520 
1 1 1   -8   33    9 o   58.434   28.337  -0.4658   13.350   7.6880   19.851  -7.1980   18.038   66.831   32.861   58.700   29.284 8.130226 44.01600 
1 1 1   -8   33   10 f   83.268   32.051   18.074   9.7474   15.478   11.888   23.400   17.029   74.478   32.540   78.091   36.047 -3.613182 48.56191 
1 1 1   -8   33   11 o   53.960   24.373   2.9539   7.2546   7.5717   9.8623  -2.4907   10.709   63.105   28.469   52.804   25.552 10.30111 38.25454 
1 1 1   -8   33   12 o   39.153   19.479 -11.4059   7.7565  -5.6045   10.833 -17.5097   11.111   50.090   24.558   43.449   21.860 6.641487 32.87734 
1 1 1   -8   33   13 o   40.548   20.110 -10.1087   8.0158  -0.1857   11.596 -19.1883   11.093   54.760   26.521   42.298   21.350 12.46197 34.04675 
1 1 1   -8   33   14 o   70.347   28.100   12.021   7.7325  -6.2555   11.318   28.018   10.589   49.372   24.378   98.456   34.079 -49.08467 41.90066 
1 1 1   -8   33   15 o   88.241   30.531   20.349   8.4983   21.763   12.454   19.118   11.625   76.748   33.425   74.634   32.399 2.113579 46.55024 
1 1 1   -8   33   16 o   66.220   29.496   12.944   10.222   18.780   20.417   10.991   11.809   64.530   32.019   62.608   29.277 1.921898 43.38647 
1 1 1   -8   33   17 o   62.162   26.385   9.4190   7.3907   25.250   19.597   6.7938   7.9800   66.616   32.734   57.062   25.688 9.554478 41.61016 
1 1 1   -8   33   18 o   55.950   24.988   6.6050   7.3895   6.3670   19.316   6.6458   7.9979   56.964   28.680   55.996   25.413 0.9682655 38.31930 
1 1 1   -8   33   19 o   54.666   25.863   6.1788   9.7005   0.0000   0.0000   6.1788   9.7005  ?   ?    54.666   25.863 0.000000 25.86340 
1 1 1   -8   33   20 o   47.030   23.026  -0.9899   9.4278   14.910   17.745  -7.2434   11.128   58.147   29.014   44.931   22.503 13.21555 36.71753 
1 1 1   -8   33   21 o   45.790   22.540  -1.7850   9.4237   5.5290   18.068  -4.5184   11.045   53.270   26.931   45.728   22.829 7.541569 35.30518 
1 1 1   -8   33   22 o   54.475   25.361   8.1782   8.7036   19.740   19.863   5.4307   9.6827   56.750   28.636   51.338   24.706 5.412834 37.82137 
1 1 1   -8   33   23 o   48.763   23.230   4.1290   8.0962 -17.1600   21.421   7.6772   8.7450   46.789   24.061   52.870   24.873 -6.080318 34.60651 
1 1 1   -8   33   24 o   62.135   26.900   13.927   7.9702   23.680   22.453   12.521   8.5254   54.050   27.587   58.418   26.401 -4.367569 38.18475 
1 1 1   -8   33   25 o   37.326   19.025 -15.7975   10.381  -8.2840   21.756 -18.0123   11.812   46.294   23.830   38.395   19.630 7.899307 30.87363 
1 1 1   -8   33   26 o   39.879   20.106  -6.1031   9.6801 -37.8400   21.217   2.2399   10.878   40.796   21.117   45.159   22.562 -4.362507 30.90215 
1 1 1   -8   33   27 o   32.719   16.654 -13.6376   7.7513   12.240   18.835 -18.9144   8.5050   47.117   24.143   32.026   16.396 15.09141 29.18353 
1 1 1   -8   34    1 o  105.192   29.350   24.151   8.3006   32.653   12.663   17.746   10.991  101.567   37.044   77.909   32.568 23.65745 49.32524 
1 1 1   -8   34    2 o   93.927   31.430   21.816   8.9942   32.940   17.064   17.537   10.584   85.495   38.093   78.232   32.267 7.262863 49.92233 
1 1 1   -8   34    3 o  144.315   28.916   43.014   10.433   41.210   19.413   43.747   12.371   88.124   39.832  129.965   35.667 -41.84074 53.46650 
1 1 1   -8   34    4 o  127.624   37.990   46.816   13.492   56.490   20.700   39.670   17.790   99.738   43.265   90.462   39.658 9.275513 58.69047 
1 1 1   -8   34    5 o   89.440   35.210   26.107   11.978   40.110   18.866   16.650   15.504   87.120   39.333   70.038   33.001 17.08249 51.34310 
1 1 1   -8   34    6 o   80.846   31.771   18.449   9.7360   16.273   11.618   23.580   17.842   72.820   31.983   73.305   34.796 -0.4854126 47.26165 
1 1 1   -8   34    7 o   44.330   21.835  -7.5552   8.8919 -10.8150   10.545   0.4683   16.543   45.389   22.603   58.246   28.888 -12.85654 36.67965 
1 1 1   -8   34    8 o   93.659   29.615   20.928   8.0455   6.7119   12.129   32.098   10.751   60.192   28.606  107.580   34.258 -47.38766 44.63068 
1 1 1   -8   34    9 o   49.327   23.193   0.6354   7.5861   5.3275   10.492  -4.5052   10.982   57.710   27.178   49.625   24.409 8.084923 36.53011 
1 1 1   -8   34   10 o   53.558   24.551   3.8599   7.7094  -2.4573   10.395   11.582   11.493   49.962   24.401   64.054   29.584 -14.09216 38.34908 
1 1 1   -8   34   11 o   53.788   24.689   4.2767   7.8316  -5.8035   11.574   12.789   10.636   48.689   24.150   65.373   29.522 -16.68453 38.14160 
1 1 1   -8   34   12 o   47.154   22.555  -0.5137   7.7961   1.2648   10.595  -2.6138   11.513   52.181   25.291   50.144   24.727 2.037514 35.37025 
1 1 1   -8   34   13 o   44.065   21.540  -3.8687   8.1523  -1.8002   11.493  -5.9636   11.566   50.096   24.704   47.596   23.697 2.500328 34.23193 
1 1 1   -8   34   14 o   48.624   23.224   1.1645   8.2038   5.3191   11.974  -2.5105   11.262   54.802   26.636   48.823   24.147 5.979134 35.95190 
1 1 1   -8   34   15 o   37.662   18.808  -9.5003   7.5211 -18.2829   11.429  -2.7916   9.9888   40.653   20.646   46.713   23.035 -6.060219 30.93269 
1 1 1   -8   34   16 o   39.495   19.675  -7.9599   8.0186  -9.8470   11.709  -6.2935   11.004   44.194   22.261   45.167   22.584 -0.9726181 31.71095 
1 1 1   -8   34   17 f   60.737   29.741   20.480   15.743   0.0000   0.0000   20.480   15.743  ?   ?    60.737   29.741 0.000000 29.74099 
1 1 1   -8   34   18 o   49.441   23.872   3.5950   9.2187   4.4580   17.011   3.2362   10.969   51.762   26.164   49.865   24.500 1.896805 35.84485 
1 1 1   -8   34   19 f   60.150   27.467   13.908   9.5266   15.120   17.771   13.419   11.285   54.668   27.522   57.271   27.323 -2.602978 38.78119 
1 1 1   -8   34   20 o   51.635   24.657   7.3294   9.2367   22.790   17.306   1.1704   10.923   56.923   28.442   47.058   23.362 9.865120 36.80635 
1 1 1   -8   34   21 o   39.330   19.492  -4.1416   7.4784   5.4450   16.720  -6.5391   8.3614   49.364   25.060   39.090   19.567 10.27452 31.79360 
1 1 1   -8   34   22 o   53.254   25.034   10.375   8.8284 -22.2900   19.266   19.057   9.9326   42.850   22.074   62.168   28.255 -19.31760 35.85579 
1 1 1   -8   34   23 o   41.495   20.969  -4.9414   10.885   19.180   20.873 -13.9527   12.758   49.989   25.599   39.766   20.337 10.22289 32.69389 
1 1 1   -8   34   24 o   38.068   19.590 -23.7181   14.554 -34.0900   20.681 -13.5400   20.486   40.070   20.744   42.751   22.055 -2.681049 30.27773 
1 1 1   -8   34   25 o   44.278   22.191   5.0567   10.912   6.6970   22.104   4.5281   12.547   44.599   23.005   44.065   22.297 0.5340652 32.03769 
1 1 1   -8   35    1 o  134.493   29.886   41.906   10.141   42.445   12.589   40.910   17.115  112.127   37.174   83.394   37.574 28.73340 52.85505 
1 1 1   -8   35    2 o   57.049   25.853   6.7550   8.2396   11.193   11.931   2.7085   11.393   61.663   29.023   53.911   26.152 7.751747 39.06702 
1 1 1   -8   35    3 o   97.925   30.113   24.541   8.3811   34.386   12.328   16.079   11.429   95.154   36.182   67.542   30.542 27.61247 47.34956 
1 1 1   -8   35    4 o  118.062   27.847   31.068   8.3780   31.250   11.650   30.872   12.057   92.180   35.144   89.066   35.242 3.113922 49.77096 
1 1 1   -8   35    5 o   54.269   24.654   5.4214   7.5512  -1.4093   11.114   11.278   10.291   50.021   24.594   61.883   28.366 -11.86155 37.54379 
1 1 1   -8   35    6 o   90.923   30.880   23.477   8.6838   15.679   12.441   30.886   12.127   64.510   30.128   87.136   35.054 -22.62630 46.22182 
1 1 1   -8   35    7 o   47.401   22.610   0.5868   7.7212 -12.6545   10.701   14.966   11.152   42.387   21.341   64.665   29.600 -22.27823 36.49134 
1 1 1   -8   35    8 o   93.549   29.506   23.186   7.9904   32.036   11.735   15.537   10.910   89.454   34.960   65.095   29.596 24.35808 45.80542 
1 1 1   -8   35    9 o   41.686   20.578  -5.4862   8.0486  -6.1508   11.310  -4.8043   11.456   46.050   23.006   46.962   23.414 -0.9123154 32.82528 
1 1 1   -8   35   10 o   40.486   19.980  -5.4817   7.5687 -19.6924   10.369   10.727   11.074   38.048   19.356   58.035   27.508 -19.98729 33.63596 
1 1 1   -8   35   11 o   62.823   27.486   12.717   8.5084   13.769   12.054   11.672   12.012   59.524   28.353   57.680   27.697 1.843716 39.63583 
1 1 1   -8   35   12 o   53.431   24.750   6.8505   8.1304  -4.2948   12.002   16.302   11.053   46.465   23.285   62.522   28.924 -16.05657 37.13231 
1 1 1   -8   35   13 o   49.408   23.807   3.7080   9.0557 -19.3200   13.880   20.775   11.949   42.041   21.476   64.928   30.050 -22.88708 36.93575 
1 1 1   -8   35   14 o   50.887   24.648   5.7042   10.026   6.1950   14.161   5.2110   14.196   51.453   25.711   50.977   25.514 0.4759598 36.22182 
1 1 1   -8   35   15 f   41.147   20.474  -4.7741   8.5841   1.2746   11.433 -12.5900   12.996   47.534   23.649   42.486   21.620 5.048611 32.04176 
1 1 1   -8   35   16 o   45.914   22.220   2.2905   8.1023   11.951   11.815  -6.2866   11.133   53.948   26.275   42.816   21.584 11.13258 34.00321 
1 1 1   -8   35   17 o   36.158   18.342 -13.2928   8.8448 -23.2000   17.034  -9.6357   10.349   41.941   21.563   40.008   20.245 1.932941 29.57726 
1 1 1   -8   35   18 o   45.979   22.371   3.3413   8.5046  -1.0870   17.686   4.6732   9.6996   46.549   23.816   47.386   23.233 -0.8374939 33.27150 
1 1 1   -8   35   19 o   39.402   19.822  -6.0234   9.1233 -10.3100   17.568  -4.4405   10.676   43.657   22.426   41.735   21.051 1.921883 30.75849 
1 1 1   -8   35   20 f   55.609   26.219   15.791   9.8143   9.1440   17.775   18.705   11.771   47.330   24.189   54.901   26.621 -7.570816 35.96879 
1 1 1   -8   35   21 o   52.611   24.798   12.690   8.7675   7.9210   15.710   14.847   10.566   46.043   23.462   52.024   25.225 -5.980755 34.44920 
1 1 1   -8   35   22 o   41.265   20.757   0.1339   9.9960   33.120   17.107 -16.9689   12.318   52.111   26.328   36.794   18.896 15.31662 32.40746 
1 1 1   -8   35   23 o   36.018   18.345  -8.7716   9.5143  -9.4360   19.211  -8.5556   10.952   40.549   20.937   37.355   19.082 3.193844 28.32827 
1 1 1   -8   36    1 o   40.978   20.226  -4.4996   7.7650 -31.4986   11.346   19.288   10.650   35.372   18.164   66.916   29.934 -31.54432 35.01387 
1 1 1   -8   36    2 o   53.896   24.727   7.3295   7.8441   9.7217   10.730   4.5835   11.496   55.453   26.507   51.204   25.143 4.248810 36.53459 
1 1 1   -8   36    3 o   65.928   28.201   15.305   8.5610   3.8963   12.085   26.797   12.129   50.743   25.080   72.246   32.159 -21.50375 40.78237 
1 1 1   -8   36    4 o   49.955   23.604   4.6053   8.0326   5.7027   11.915   3.6909   10.876   51.683   25.422   50.057   24.554 1.626358 35.34378 
1 1 1   -8   36    5 o   51.611   24.137   6.1139   8.0299   0.9944   11.672   10.714   11.064   48.389   24.044   55.483   26.626 -7.094482 35.87561 
1 1 1   -8   36    6 o   53.464   24.750   7.7342   8.1134   10.053   11.402   5.3558   11.548   54.387   26.330   50.845   25.013 3.542427 36.31670 
1 1 1   -8   36    7 o   47.601   22.869   3.0876   8.2125  -9.5859   11.724   15.298   11.507   42.639   21.573   58.499   27.819 -15.85931 35.20357 
1 1 1   -8   36    8 o   38.510   19.338  -8.7323   8.4902   7.9370   13.543 -19.5242   10.897   51.622   25.691   37.580   19.184 14.04176 32.06353 
1 1 1   -8   36    9 o   53.491   25.262   9.2539   9.1811   14.690   15.849   6.5084   11.263   53.805   26.933   50.440   24.792 3.364990 36.60672 
1 1 1   -8   36   10 o   41.921   21.021  -5.2262   9.8567  -1.8250   14.121  -8.4580   13.765   46.442   23.517   43.875   22.319 2.567356 32.42221 
1 1 1   -8   36   11 o   41.278   20.522  -3.3165   8.5474   0.1980   10.467 -10.3500   14.808   45.234   22.524   43.573   22.253 1.660664 31.66291 
1 1 1   -8   36   12 o   46.239   22.666   3.1342   9.2185  -3.4321   11.389   15.610   15.698   43.485   21.910   52.346   26.288 -8.860882 34.22100 
1 1 1   -8   36   13 o   48.272   23.049   5.9700   8.0661   3.4902   11.999   8.0147   10.895   46.714   23.391   49.451   24.321 -2.736935 33.74394 
1 1 1   -8   36   14 o   33.044   16.834 -15.5278   8.0422 -15.6973   11.266 -15.3517   11.484   37.838   19.331   38.195   19.514 -0.3572273 27.46745 
1 1 1   -8   36   15 o   40.944   20.312  -1.2369   8.1984   0.7426   11.068  -3.6430   12.203   43.975   22.082   42.562   21.586 1.412575 30.88005 
1 1 1   -8   36   16 o   50.564   24.115   10.255   8.7765   14.292   12.242   5.9858   12.589   50.646   25.071   46.124   23.213 4.521515 34.16736 
1 1 1   -8   36   17 o   44.953   22.039   5.1014   8.7229  -1.5266   11.753   13.231   13.016   42.011   21.293   48.580   24.331 -6.569466 32.33239 
1 1 1   -8   36   18 o   47.680   23.398   10.243   9.9073 -28.6300   20.778   21.682   11.271   39.596   20.508   54.975   26.507 -15.37914 33.51417 
1 1 1   -8   36   19 o   38.485   19.502  -4.0800   9.8319  -8.1060   19.713  -2.7469   11.344   41.152   21.247   39.913   20.300 1.238441 29.38524 
1 1 1   -8   36   20 o   38.175   19.424  -4.0537   10.468 -11.4200   19.360  -1.0101   12.445   39.713   20.522   40.070   20.458 -0.3570251 28.97770 
1 1 1   -8   36   21 o   35.797   18.205  -5.6512   9.1076   7.5890   17.944 -10.2458   10.570   41.407   21.329   35.346   18.110 6.060318 27.98044 
1 1 1   -8   37    1 o   41.228   20.689  -4.3500   9.6361 -21.0900   15.624   5.9254   12.241   40.720   20.929   48.081   24.008 -7.361031 31.84988 
1 1 1   -8   37    2 o   49.286   24.190   7.7147   10.603   7.7620   14.420   7.6590   15.645   48.736   24.568   48.601   24.626 0.1355515 34.78526 
1 1 1   -8   37    3 o   50.494   24.708   9.6396   10.810   8.5050   15.630   10.680   14.967   48.752   24.693   49.689   25.046 -0.9366035 35.17153 
1 1 1   -8   37    4 o   52.114   25.487   12.640   11.455   15.260   15.876   9.7940   16.546   51.006   25.720   48.882   24.826 2.124409 35.74751 
1 1 1   -8   37    5 o   42.755   21.227  -0.2793   9.0242  -5.1581   11.468   7.6540   14.624   41.964   21.243   48.089   24.302 -6.125168 32.27782 
1 1 1   -8   37    6 o   36.551   18.557 -11.6728   9.1828  -9.7158   12.025 -14.4100   14.222   40.464   20.611   40.707   20.866 -0.2427521 29.32895 
1 1 1   -8   37    7 o   44.956   22.246   3.1277   9.6074   15.158   12.435 -14.6900   15.133   52.026   25.663   41.016   21.058 11.00969 33.19682 
1 1 1   -8   37    8 f   47.471   22.862   6.5503   8.3261   18.713   11.867  -5.2422   11.685   54.725   26.579   41.431   21.024 13.29384 33.88891 
1 1 1   -8   37    9 o   48.997   23.173   7.9903   7.7753   12.249   11.369   4.2472   10.658   50.087   24.674   45.243   22.561 4.843170 33.43367 
1 1 1   -8   37   10 o   50.663   23.947   10.193   8.2818   9.7411   11.245   10.729   12.243   48.037   23.823   48.179   24.050 -0.1414375 33.85172 
1 1 1   -8   37   11 o   47.695   23.007   8.0980   8.5134  -2.1107   11.732   19.451   12.373   41.753   21.174   52.692   25.916 -10.93892 33.46594 
1 1 1   -8   37   12 o   42.812   21.019   3.1695   8.0256  -1.4359   10.807   8.8328   11.984   41.194   20.826   46.208   23.172 -5.013802 31.15576 
1 1 1   -8   37   13 o   64.141   28.111   22.761   8.9336   22.655   12.871   22.860   12.410   52.348   25.876   53.224   26.132 -0.8760338 36.77563 
1 1 1   -8   37   14 o   57.536   26.307   18.840   8.7746   9.0007   13.338   26.347   11.651   44.623   22.624   56.446   27.149 -11.82263 35.34004 
1 1 1   -8   37   15 o   42.146   20.958   4.3351   8.9337  -4.7626   12.930   12.646   12.358   39.404   20.176   45.686   22.994 -6.282528 30.59049 
1 1 1   -8   37   16 o   44.715   22.032   9.1058   9.0770   18.859   12.639  -1.2818   13.044   47.414   23.780   39.782   20.362 7.631626 31.30609 
1 1 1   -8   37   17 o   43.192   21.471   8.5066   9.3444   8.7604   11.275   7.9500   16.699   42.528   21.473   41.392   21.284 1.135441 30.23443 
1 1 1   -8   37   18 o   36.508   18.764  -7.5984   12.582 -15.6800   20.657  -2.8320   15.864   37.576   19.489   38.410   19.798 -0.8337936 27.78146 
1 1 1   -8   37   19 o   36.907   19.027  -5.1128   14.753   6.4740   21.221 -15.9500   20.523   38.969   20.199   36.666   19.027 2.302639 27.74963 
1 1 1   -8   38    1 o   37.812   18.939  -2.9978   7.8949   0.4453   11.014  -6.6362   11.322   41.651   21.054   38.999   19.876 2.652103 28.95383 
1 1 1   -8   38    2 o   49.459   23.530   10.767   8.2479   5.3811   11.279   16.959   12.092   43.924   22.089   49.790   24.695 -5.865540 33.13205 
1 1 1   -8   38    3 o   34.135   17.358 -10.6480   8.2649 -12.2384   11.852  -9.1424   11.531   37.447   19.185   38.151   19.496 -0.7039566 27.35289 
1 1 1   -8   38    4 o   47.495   22.832   9.2357   8.2168   28.055   12.398  -5.5056   10.973   56.340   27.319   38.905   19.804 17.43553 33.74184 
1 1 1   -8   38    5 o   40.786   20.229   1.7357   8.1168  -9.6754   11.274   14.018   11.696   37.529   19.186   47.764   23.788 -10.23489 30.56123 
1 1 1   -8   38    6 o   58.404   26.494   19.446   8.6803   16.692   12.031   22.436   12.536   48.642   24.209   51.380   25.423 -2.738129 35.10565 
1 1 1   -8   38    7 o   56.091   25.777   17.912   8.5730   25.445   12.189   10.537   12.060   53.486   26.186   45.081   22.692 8.405079 34.65023 
1 1 1   -8   38    8 o   42.804   21.101   5.4039   8.3613   8.0583   12.028   2.9222   11.631   43.584   22.027   41.483   21.042 2.101521 30.46273 
1 1 1   -8   38    9 o   40.569   20.152   2.8952   8.1734   6.0057   12.066   0.2574   11.111   42.320   21.463   39.969   20.304 2.351665 29.54538 
1 1 1   -8   38   10 o   42.566   21.032   6.2034   8.4750  -6.7111   12.136   18.498   11.841   37.699   19.321   47.756   23.808 -10.05712 30.66155 
1 1 1   -8   38   11 o   42.778   21.132   7.2031   8.5381   16.651   12.330  -1.5000   11.834   45.620   22.961   38.735   19.791 6.884995 30.31334 
1 1 1   -8   38   12 o   35.106   17.811  -4.8122   8.3589  -1.8453   11.886  -7.7152   11.757   38.162   19.525   36.417   18.688 1.744976 27.02721 
1 1 1   -8   38   13 o   33.547   17.034  -6.0247   7.7573 -11.3831   10.216   1.2709   11.921   33.919   17.407   38.581   19.724 -4.661572 26.30692 
1 1 1   -8   38   14 o   40.179   20.064   6.2555   8.5578   15.499   11.955  -3.4581   12.255   42.953   21.738   36.714   18.855 6.238289 28.77546 
1 1 1   -8   38   15 o   32.940   16.915 -10.5725   9.8413 -35.0600   19.750  -2.4840   11.351   34.261   17.797   36.079   18.503 -1.817825 25.67301 
1 1 1   -8   38   16 o   38.909   20.175   21.500   21.610   21.500   21.610   0.0000   0.0000   38.909   20.175  ?   ?  0.000000 20.17457 
1 1 1   -8   39    1 o   39.447   19.717   3.8966   8.3488   5.2782   11.706   2.4665   11.910   39.987   20.365   39.036   19.938 0.9512444 28.49962 
1 1 1   -8   39    2 o   39.406   19.705   3.9621   8.3839   9.9842   11.789  -2.1995   11.925   41.635   21.126   37.533   19.230 4.101830 28.56796 
1 1 1   -8   39    3 o   35.957   18.129  -1.3607   7.8724   16.064   11.311 -17.7300   10.963   44.476   22.332   32.828   16.899 11.64754 28.00550 
1 1 1   -8   39    4 o   35.726   18.024  -1.5180   7.8504  -3.8166   11.300   0.6266   10.915   36.583   18.742   37.901   19.335 -1.318047 26.92737 
1 1 1   -8   39    5 o   46.841   22.717   14.699   8.5854   21.881   12.070   7.3456   12.214   45.898   23.050   39.984   20.402 5.914230 30.78213 
1 1 1   -8   39    6 o   36.597   18.503   0.1719   8.5363   2.2154   12.368  -1.6872   11.797   38.141   19.544   36.943   18.941 1.197769 27.21657 
1 1 1   -8   39    7 o   30.159   15.501 -16.2585   8.5909 -28.7588   12.369  -4.6083   11.941   31.330   16.201   35.934   18.460 -4.603750 24.56120 
1 1 1   -8   39    8 o   35.505   18.027  -1.0815   8.6769   3.8225   12.551  -5.5706   12.009   37.917   19.447   35.419   18.203 2.498367 26.63738 
1 1 1   -8   39    9 o   39.492   19.704   6.9840   8.1755   11.229   11.729   2.9724   11.402   39.894   20.323   37.232   19.055 2.661526 27.85921 
1 1 1   -8   39   10 o   34.626   17.508  -0.4343   7.6531   8.1396   11.340  -7.6058   10.371   38.416   19.607   33.445   17.183 4.971134 26.07132 
1 1 1   -8   39   11 o   34.716   17.620   0.0997   8.2387  -1.2856   11.860   1.3917   11.453   35.201   18.091   35.824   18.388 -0.6236458 25.79524 
1 1 1   -8   39   12 o   36.738   18.769   6.2314   10.619   19.620   18.734  -0.1067   12.890   37.696   19.522   35.088   18.075 2.608696 26.60473 
1 1 1   -8   40    1 o   35.973   18.206   4.7704   8.3899  -9.4879   11.493   21.036   12.276   32.339   16.677   40.157   20.487 -7.818096 26.41676 
1 1 1   -8   40    2 o   33.001   16.838  -1.6950   8.3054  -2.8430   11.847  -0.5855   11.647   33.783   17.399   34.254   17.622 -0.4706230 24.76372 
1 1 1   -8   40    3 o   37.472   18.912   8.3956   8.6862 -13.8332   12.404   29.782   12.167   31.780   16.423   43.154   21.849 -11.37353 27.33337 
1 1 1   -8   40    4 o   35.917   18.209   5.6012   8.6346 -12.7335   12.494   22.364   11.946   31.864   16.467   40.348   20.550 -8.483175 26.33418 
1 1 1   -8   40    5 o   32.629   16.684  -1.7964   8.5528   13.570   12.119 -17.0440   12.072   37.190   19.077   30.788   15.936 6.402168 24.85707 
1 1 1   -7    0    1 o  436.474   11.459  247.571   12.936  247.571   12.936  247.571   12.936  436.474   11.459  436.474   11.459 0.000000 0.000000 
1 1 1   -7    0    2 o  701.263   13.377  638.768   24.279  638.768   24.279  638.768   24.279  701.263   13.377  701.263   13.377 0.000000 0.000000 
1 1 1   -7    0    3 o  460.250   11.740  275.291   13.975  275.291   13.975  275.291   13.975  460.250   11.740  460.250   11.740 0.000000 0.000000 
1 1 1   -7    0    4 o  324.151   11.454  136.799   9.5900  136.799   9.5900  136.799   9.5900  324.151   11.454  324.151   11.454 0.000000 0.000000 
1 1 1   -7    0    5 o   46.421   24.069   4.0972   3.7431   4.0972   3.7431   4.0972   3.7431   46.421   24.069   46.421   24.069 0.000000 0.000000 
1 1 1   -7    0    6 o  264.747   12.116   91.528   8.2693   91.528   8.2693   91.528   8.2693  264.747   12.116  264.747   12.116 0.000000 0.000000 
1 1 1   -7    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    0    8 o   81.472   26.732   11.047   5.0032   11.047   5.0032   11.047   5.0032   81.472   26.732   81.472   26.732 0.000000 0.000000 
1 1 1   -7    0    9 o   94.605   32.684   15.250   7.2168   15.250   7.2168   15.250   7.2168   94.605   32.684   94.605   32.684 0.000000 0.000000 
1 1 1   -7    0   10 o   32.270   21.928  -3.0300   5.5506  -3.0300   5.5506  -3.0300   5.5506   32.270   21.928   32.270   21.928 0.000000 0.000000 
1 1 1   -7    0   11 o  530.485   12.859  365.831   17.646  365.831   17.646  365.831   17.646  530.485   12.859  530.485   12.859 0.000000 0.000000 
1 1 1   -7    0   12 o  353.942   12.806  163.147   11.706  163.147   11.706  163.147   11.706  353.942   12.806  353.942   12.806 0.000000 0.000000 
1 1 1   -7    0   13 o  271.587   13.748   96.404   9.6148   96.404   9.6148   96.404   9.6148  271.587   13.748  271.587   13.748 0.000000 0.000000 
1 1 1   -7    0   14 o  138.135   20.925   26.419   6.9786   26.419   6.9786   26.419   6.9786  138.135   20.925  138.135   20.925 0.000000 0.000000 
1 1 1   -7    0   15 o  523.809   13.382  356.420   18.130  356.420   18.130  356.420   18.130  523.809   13.382  523.809   13.382 0.000000 0.000000 
1 1 1   -7    0   16 o  1161.73   18.385  1752.47   55.295  1752.47   55.295  1752.47   55.295  1161.73   18.385  1161.73   18.385 0.000000 0.000000 
1 1 1   -7    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    0   18 o  666.392   14.916  576.699   25.718  576.699   25.718  576.699   25.718  666.392   14.916  666.392   14.916 0.000000 0.000000 
1 1 1   -7    0   19 o  482.024   14.988  302.181   18.673  302.181   18.673  302.181   18.673  482.024   14.988  482.024   14.988 0.000000 0.000000 
1 1 1   -7    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    0   21 o  249.146   18.193   81.856   11.597   81.856   11.597   81.856   11.597  249.146   18.193  249.146   18.193 0.000000 0.000000 
1 1 1   -7    0   22 o   89.368   39.699   15.053   9.7159   15.053   9.7159   15.053   9.7159   89.368   39.699   89.368   39.699 0.000000 0.000000 
1 1 1   -7    0   23 o  1023.03   17.373  1360.29   46.007  1360.29   46.007  1360.29   46.007  1023.03   17.373  1023.03   17.373 0.000000 0.000000 
1 1 1   -7    0   24 f  406.403   15.525  215.367   16.290  215.367   16.290  215.367   16.290  406.403   15.525  406.403   15.525 0.000000 0.000000 
1 1 1   -7    0   25 o  1017.76   17.503  1347.55   46.112  1347.55   46.112  1347.55   46.112  1017.76   17.503  1017.76   17.503 0.000000 0.000000 
1 1 1   -7    0   26 o  366.938   16.041  175.990   15.180  175.990   15.180  175.990   15.180  366.938   16.041  366.938   16.041 0.000000 0.000000 
1 1 1   -7    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    0   28 o  142.277   30.962   30.033   9.9991   30.033   9.9991   30.033   9.9991  142.277   30.962  142.277   30.962 0.000000 0.000000 
1 1 1   -7    0   29 f  389.797   15.742  198.941   15.836  198.941   15.836  198.941   15.836  389.797   15.742  389.797   15.742 0.000000 0.000000 
1 1 1   -7    0   30 o  201.372   23.426   55.434   11.788   55.434   11.788   55.434   11.788  201.372   23.426  201.372   23.426 0.000000 0.000000 
1 1 1   -7    0   31 o  140.639   31.403   29.844   9.9923   29.844   9.9923   29.844   9.9923  140.639   31.403  140.639   31.403 0.000000 0.000000 
1 1 1   -7    0   32 o  168.466   29.174   41.030   11.586   41.030   11.586   41.030   11.586  168.466   29.174  168.466   29.174 0.000000 0.000000 
1 1 1   -7    0   33 o  299.020   18.773  119.170   14.409  119.170   14.409  119.170   14.409  299.020   18.773  299.020   18.773 0.000000 0.000000 
1 1 1   -7    0   34 o  132.143   33.631   27.674   9.9525   27.674   9.9525   27.674   9.9525  132.143   33.631  132.143   33.631 0.000000 0.000000 
1 1 1   -7    0   35 o   46.238   30.835  -2.0510   10.048  -2.0510   10.048  -2.0510   10.048   46.238   30.835   46.238   30.835 0.000000 0.000000 
1 1 1   -7    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    0   37 o   40.043   27.226  -3.5272   8.5820  -3.5272   8.5820  -3.5272   8.5820   40.043   27.226   40.043   27.226 0.000000 0.000000 
1 1 1   -7    0   38 o   98.266   47.667   22.680   14.191   22.680   14.191   22.680   14.191   98.266   47.667   98.266   47.667 0.000000 0.000000 
1 1 1   -7    0   39 o   62.714   40.832   4.6620   16.038   4.6620   16.038   4.6620   16.038   62.714   40.832   62.714   40.832 0.000000 0.000000 
1 1 1   -7    0   40 o  133.189   55.552   42.390   19.160   42.390   19.160   42.390   19.160  133.189   55.552  133.189   55.552 0.000000 0.000000 
1 1 1   -7    0   41 o   39.689   27.762  -7.3522   10.601  -7.3522   10.601  -7.3522   10.601   39.689   27.762   39.689   27.762 0.000000 0.000000 
1 1 1   -7    0   42 o   41.105   28.771  -7.1375   11.437  -7.1375   11.437  -7.1375   11.437   41.105   28.771   41.105   28.771 0.000000 0.000000 
1 1 1   -7    0   43 o   65.290   38.800   11.460   11.455   11.460   11.455   11.460   11.455   65.290   38.800   65.290   38.800 0.000000 0.000000 
1 1 1   -7    0   44 o  116.642   52.896   40.110   17.253   40.110   17.253   40.110   17.253  116.642   52.896  116.642   52.896 0.000000 0.000000 
1 1 1   -7    0   45 o   54.743   35.944   6.8764   12.821   6.8764   12.821   6.8764   12.821   54.743   35.944   54.743   35.944 0.000000 0.000000 
1 1 1   -7    0   46 o   76.020   43.371   20.833   13.398   20.833   13.398   20.833   13.398   76.020   43.371   76.020   43.371 0.000000 0.000000 
1 1 1   -7    0   47 o  118.438   43.338   34.984   12.266   34.984   12.266   34.984   12.266  118.438   43.338  118.438   43.338 0.000000 0.000000 
1 1 1   -7    0   48 o   57.618   37.333   13.694   13.191   13.694   13.191   13.694   13.191   57.618   37.333   57.618   37.333 0.000000 0.000000 
1 1 1   -7    1    1 o  414.510   8.0092  222.809   8.5995  226.710   12.226  218.989   12.099  417.865   11.295  410.681   11.373 7.184296 16.02876 
1 1 1   -7    1    2 o  943.001   11.021  1154.49   26.921  1125.50   37.341  1185.87   38.847  929.991   15.501  954.545   15.711 -24.55438 22.07091 
1 1 1   -7    1    3 o  472.523   8.3362  289.603   10.203  291.740   14.474  287.492   14.385  473.917   11.791  470.452   11.805 3.464661 16.68456 
1 1 1   -7    1    4 o  738.503   9.7482  707.872   18.648  701.808   26.248  714.052   26.497  734.545   13.795  740.923   13.806 -6.377502 19.51731 
1 1 1   -7    1    5 o  613.860   9.0973  489.029   14.465  489.895   20.494  488.169   20.421  613.779   12.890  612.702   12.867 1.077332 18.21300 
1 1 1   -7    1    6 o  551.843   8.8471  395.236   12.646  394.132   17.846  396.349   17.923  550.500   12.515  552.042   12.534 -1.542725 17.71268 
1 1 1   -7    1    7 o  167.029   18.178   36.890   7.7378   36.890   7.7378   0.0000   0.0000  167.029   18.178  ?   ?  0.000000 18.17808 
1 1 1   -7    1    8 o  266.694   12.312   92.528   8.5052   0.0000   0.0000   92.528   8.5052  ?   ?   266.694   12.312 0.000000 12.31179 
1 1 1   -7    1    9 o  213.151   10.957   59.200   6.0294   61.800   10.015   57.723   7.5511  216.708   18.004  210.070   13.956 6.638519 22.78018 
1 1 1   -7    1   10 o  200.842   11.441   52.592   5.9275   46.823   7.2875   63.870   10.189  188.993   15.010  220.414   18.004 -31.42154 23.43999 
1 1 1   -7    1   11 o  107.924   17.219   15.556   4.6519   12.933   5.8036   20.270   7.7802   97.417   23.311  122.023   25.439 -24.60651 34.50434 
1 1 1   -7    1   12 o  314.788   9.0961  128.535   7.4169  132.106   10.451  124.910   10.528  318.905   12.651  310.064   13.108 8.841522 18.21760 
1 1 1   -7    1   13 o  421.627   8.9725  230.513   9.7993  229.690   13.828  231.342   13.889  420.623   12.692  422.132   12.702 -1.509186 17.95582 
1 1 1   -7    1   14 o  450.408   9.0962  263.009   10.613  265.505   15.102  260.574   14.916  452.310   12.890  448.093   12.851 4.217346 18.20177 
1 1 1   -7    1   15 o  305.955   9.6992  121.359   7.6868  117.710   10.988  124.857   10.757  301.153   14.085  310.193   13.388 -9.039642 19.43319 
1 1 1   -7    1   16 f  362.704   9.5922  170.538   9.0120  183.805   12.880  157.812   12.614  376.394   13.210  348.730   13.964 27.66379 19.22273 
1 1 1   -7    1   17 o  374.037   19.060  182.300   18.406  182.300   18.406   0.0000   0.0000  374.037   19.060  ?   ?  0.000000 19.06011 
1 1 1   -7    1   18 f  153.067   18.812   30.904   7.3016   15.267   10.043   48.439   10.635  107.845   32.929  191.728   21.802 -83.88358 39.49233 
1 1 1   -7    1   19 o  702.008   10.670  639.018   19.403  641.639   27.566  636.445   27.315  703.029   15.138  700.186   15.061 2.842651 21.35334 
1 1 1   -7    1   20 o  315.724   10.840  129.273   8.8655  135.716   12.656  123.066   12.423  323.295   15.113  307.435   15.651 15.85971 21.75685 
1 1 1   -7    1   21 o  307.312   11.274  122.508   8.9741  132.574   12.728  112.559   12.654  319.472   15.381  293.824   16.695 25.64783 22.70070 
1 1 1   -7    1   22 f  251.571   12.534   82.145   8.1679   88.883   12.093   76.491   11.076  260.775   18.013  241.848   17.806 18.92639 25.32829 
1 1 1   -7    1   23 o  283.011   12.670  103.991   9.2879  101.549   13.244  106.354   13.029  278.684   18.450  285.333   17.716 -6.648804 25.57893 
1 1 1   -7    1   24 o  472.662   10.541  289.905   12.905  295.977   18.599  284.266   17.922  477.111   15.049  467.607   14.797 9.503571 21.10482 
1 1 1   -7    1   25 o  292.036   13.016  110.825   9.8460  104.872   14.016  116.625   13.834  282.888   19.242  298.601   17.970 -15.71317 26.32821 
1 1 1   -7    1   26 o   72.757   30.845   0.5676   10.080   0.0000   0.0000   0.5676   10.080  ?   ?    72.757   30.845 0.000000 30.84453 
1 1 1   -7    1   27 o  398.096   26.014  209.800   26.677  209.800   26.677   0.0000   0.0000  398.096   26.014  ?   ?  0.000000 26.01359 
1 1 1   -7    1   28 o  307.380   12.462  122.976   9.9227  119.996   14.097  125.903   13.969  302.284   18.087  309.799   17.479 -7.514862 25.15276 
1 1 1   -7    1   29 o  259.644   13.360   88.148   8.9550   78.628   13.221   96.218   12.172  243.398   21.181  270.413   17.471 -27.01416 27.45712 
1 1 1   -7    1   30 o   64.938   26.188   2.7393   6.7868  -5.3131   10.139   9.2767   9.1354   62.965   28.590   88.256   31.561 -25.29155 42.58488 
1 1 1   -7    1   31 o  125.461   21.421   21.451   6.7115   25.632   9.7049   17.619   9.2916  135.284   28.590  111.849   30.998 23.43492 42.16896 
1 1 1   -7    1   32 o  297.629   12.562  115.910   9.6843  121.211   13.777  110.732   13.616  302.372   17.666  288.718   18.301 13.65436 25.43685 
1 1 1   -7    1   33 f  112.601   26.449   17.904   7.5832   19.426   10.775   16.411   10.674  116.096   33.789  107.839   34.112 8.257408 48.01397 
1 1 1   -7    1   34 f   84.796   26.644   9.8706   6.5215   10.944   9.6445   8.9667   8.8518   91.846   32.472   85.424   31.000 6.421455 44.89349 
1 1 1   -7    1   35 o  437.520   10.908  250.761   12.362  260.068   17.812  242.113   17.171  443.003   15.522  427.445   15.508 15.55771 21.94190 
1 1 1   -7    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    1   37 o  138.010   26.548   27.594   9.1460   15.000   10.858   58.350   16.968  101.002   34.530  195.844   34.720 -94.84187 48.96706 
1 1 1   -7    1   38 o   62.569   26.902   0.9983   7.8628   5.3109   9.0066 -12.8200   16.122   74.670   30.149   69.728   33.092 4.942116 44.76620 
1 1 1   -7    1   39 o   71.331   29.855   3.6658   9.2520   4.7213   11.266   1.4790   16.215   77.918   32.796   83.218   37.102 -5.300217 49.51945 
1 1 1   -7    1   40 o   63.418   27.798   0.3805   8.7382   1.6370   14.726  -0.3024   10.856   79.667   35.450   68.332   30.419 11.33562 46.71224 
1 1 1   -7    1   41 o   51.085   24.082  -6.7444   8.2732 -10.7200   14.281  -4.7364   10.150   64.992   30.931   59.819   27.689 5.172192 41.51405 
1 1 1   -7    1   42 o   70.600   26.930   6.4328   6.8427  -1.8383   9.4967   15.364   9.8682   61.048   27.701   96.689   32.919 -35.64085 43.02290 
1 1 1   -7    1   43 o   67.314   28.480   3.8847   8.5666 -12.5577   11.981   21.085   12.254   55.969   27.070  107.277   36.682 -51.30767 45.58882 
1 1 1   -7    1   44 o   62.171   29.093  -4.2069   11.694 -17.6900   16.363   9.8660   16.717   61.654   30.218   85.897   38.018 -24.24293 48.56403 
1 1 1   -7    1   45 o   60.302   26.615   1.5016   8.1378  -3.1253   12.026   5.4098   11.053   63.143   29.533   72.349   31.499 -9.206478 43.17883 
1 1 1   -7    1   46 o  135.895   26.352   30.204   8.9415   40.794   12.978   20.636   12.336  147.415   34.584   99.755   36.536 47.66049 50.30833 
1 1 1   -7    1   47 o   56.407   25.993  -1.1556   8.7974  -4.3790   12.257   2.2698   12.635   60.405   28.721   67.893   31.235 -7.488262 42.43281 
1 1 1   -7    1   48 o   48.974   23.022  -3.3551   7.4668   3.1543   10.543  -9.9054   10.576   64.392   29.206   50.863   24.791 13.52871 38.30926 
1 1 1   -7    2    1 o  531.847   8.5181  366.897   11.735  364.883   16.563  368.926   16.628  529.986   12.065  532.917   12.046 -2.931152 17.04905 
1 1 1   -7    2    2 o  515.231   8.5012  344.342   11.346  336.601   15.916  352.339   16.178  509.011   12.071  520.786   11.992 -11.77469 17.01581 
1 1 1   -7    2    3 o  561.501   8.7526  409.029   12.730  413.297   18.130  404.878   17.879  563.943   12.411  558.177   12.366 5.766785 17.52004 
1 1 1   -7    2    4 o  532.416   8.6856  367.785   11.978  372.724   17.090  363.016   16.794  535.497   12.320  528.485   12.268 7.011841 17.38679 
1 1 1   -7    2    5 o  400.123   8.3089  207.717   8.6116  210.882   12.213  204.588   12.144  402.811   11.705  396.741   11.817 6.069824 16.63314 
1 1 1   -7    2    6 o  219.980   9.8553   62.841   5.6157   71.790   9.4841   58.009   6.9686  234.124   15.730  210.775   12.825 23.34920 20.29551 
1 1 1   -7    2    7 o  400.910   16.465  209.800   17.098  209.800   17.098   0.0000   0.0000  400.910   16.465  ?   ?  0.000000 16.46458 
1 1 1   -7    2    8 o   52.025   21.102   1.4760   4.4342   0.0000   0.0000   1.4760   4.4342  ?   ?    52.025   21.102 0.000000 21.10218 
1 1 1   -7    2    9 o  265.002   9.1607   91.169   6.2882   82.847   8.9511   99.278   8.8357  251.873   13.772  276.269   12.347 -24.39616 18.49630 
1 1 1   -7    2   10 o  254.520   9.2551   84.084   6.1017   86.649   8.7041   81.605   8.5561  257.766   13.079  250.107   13.254 7.658920 18.62071 
1 1 1   -7    2   11 o  406.386   10.262  214.378   10.802  216.422   13.290  210.400   18.544  408.088   12.573  401.685   17.822 6.403107 21.81066 
1 1 1   -7    2   12 o  535.446   10.608  372.068   14.713  372.915   18.068  370.400   25.348  535.785   13.019  533.183   18.354 2.602051 22.50196 
1 1 1   -7    2   13 o  566.136   9.3524  415.633   13.715  420.878   19.591  410.591   19.207  569.332   13.284  562.341   13.186 6.990784 18.71712 
1 1 1   -7    2   14 o  227.827   10.609   67.316   6.2609   66.708   9.0582   67.872   8.6635  226.090   15.562  228.152   14.738 -2.062057 21.43331 
1 1 1   -7    2   15 o   34.682   16.634  -6.2312   4.3033  -8.1191   6.2808  -4.5608   5.9080   43.081   20.506   46.363   21.341 -3.282001 29.59591 
1 1 1   -7    2   16 o  1046.87   12.165  1421.47   32.986  1389.48   45.946  1455.50   47.387  1034.27   17.150  1058.54   17.282 -24.26367 24.34757 
1 1 1   -7    2   17 o  470.838   18.783  288.100   22.907  288.100   22.907   0.0000   0.0000  470.838   18.783  ?   ?  0.000000 18.78257 
1 1 1   -7    2   18 o  761.340   10.881  751.594   21.459  713.738   29.495  794.165   31.279  741.492   15.357  782.144   15.439 -40.65247 21.77580 
1 1 1   -7    2   19 o  503.113   10.241  328.191   13.347  321.047   18.800  335.450   18.950  497.327   14.594  508.376   14.391 -11.04871 20.49565 
1 1 1   -7    2   20 o  546.569   10.058  387.357   14.240  388.136   20.337  386.607   19.945  546.792   14.359  545.735   14.109 1.056519 20.13082 
1 1 1   -7    2   21 o  752.651   10.714  734.737   20.889  737.343   29.549  732.135   29.532  753.444   15.141  750.772   15.186 2.671875 21.44414 
1 1 1   -7    2   22 o  282.767   12.205  103.772   8.9396  104.423   12.896  103.169   12.404  282.785   17.694  281.150   17.113 1.635040 24.61602 
1 1 1   -7    2   23 o  990.156   12.097  1272.67   31.026  1268.00   43.939  1277.31   43.815  987.197   17.183  990.843   17.071 -3.646423 24.22152 
1 1 1   -7    2   24 o  389.150   10.979  196.550   11.067  210.633   16.222  184.291   15.135  402.421   15.562  376.422   15.523 25.99945 21.98052 
1 1 1   -7    2   25 o  637.990   10.482  528.323   17.323  529.058   24.767  527.620   24.238  637.705   14.994  636.894   14.692 0.8107300 20.99219 
1 1 1   -7    2   26 o  121.040   24.684   19.920   7.4769   26.385   10.331   12.809   10.835  138.796   29.636  101.541   34.494 37.25521 45.47665 
1 1 1   -7    2   27 o  615.600   22.897  497.800   36.512  497.800   36.512   0.0000   0.0000  615.600   22.897  ?   ?  0.000000 22.89745 
1 1 1   -7    2   28 o  118.316   26.314   19.237   7.8563   23.153   11.285   15.555   10.944  128.989   33.482  108.240   34.573 20.74884 48.12882 
1 1 1   -7    2   29 o   95.110   27.674   12.332   7.2291   11.977   10.885   12.612   9.6698   98.583   34.527   98.449   32.577 0.1341553 47.46955 
1 1 1   -7    2   30 o  116.312   24.722   18.678   7.2188   24.980   10.209   12.375   10.209  133.506   30.224   98.114   33.482 35.39203 45.10563 
1 1 1   -7    2   31 o  252.219   12.986   83.399   8.4553   75.278   11.963   91.504   11.952  237.735   19.601  262.910   17.653 -25.17484 26.37876 
1 1 1   -7    2   32 o   56.426   24.824  -1.4227   7.0249   3.0080   9.9092  -5.8991   9.9603   75.205   31.137   61.037   27.952 14.16860 41.84296 
1 1 1   -7    2   33 o  369.236   11.562  178.332   11.058  173.991   15.727  182.577   15.551  362.760   16.737  371.867   16.144 -9.107208 23.25456 
1 1 1   -7    2   34 o  264.847   13.033   92.155   8.9414   85.599   12.717   98.563   12.574  252.318   19.612  271.629   17.972 -19.31020 26.60149 
1 1 1   -7    2   35 o  147.441   18.410   29.484   6.8779   21.934   9.7511   36.958   9.7025  122.350   30.792  163.136   23.650 -40.78602 38.82628 
1 1 1   -7    2   36 o  155.195   43.988   39.440   18.493   39.440   18.493   0.0000   0.0000  155.195   43.988  ?   ?  0.000000 43.98824 
1 1 1   -7    2   37 o  131.414   28.263   25.431   9.3349   28.212   11.116   18.780   17.191  136.462   32.003  112.434   42.734 24.02805 53.38898 
1 1 1   -7    2   38 o   67.091   28.627   1.8799   8.7823   9.9996   10.542 -16.5400   15.878   87.767   33.438   66.145   31.783 21.62199 46.13345 
1 1 1   -7    2   39 o   60.323   25.278   2.0432   6.6443   7.0910   9.6506  -2.5059   9.1614   79.208   31.470   60.545   27.365 18.66283 41.70368 
1 1 1   -7    2   40 o   74.647   28.448   6.9658   7.6314   13.286   10.891   0.8690   10.697   93.952   34.340   69.608   30.628 24.34357 46.01427 
1 1 1   -7    2   41 o   48.357   23.153  -9.0808   8.2604  -5.4090   18.315 -10.0184   9.2552   77.908   36.442   50.982   24.436 26.92571 43.87598 
1 1 1   -7    2   42 o   86.593   32.715   11.353   10.037   17.420   19.259   9.0902   11.761  101.653   42.838   83.566   34.186 18.08708 54.80727 
1 1 1   -7    2   43 o  167.690   21.165   41.066   8.9886   27.418   12.708   54.730   12.716  121.853   37.005  187.760   26.915 -65.90650 45.75816 
1 1 1   -7    2   44 o   60.604   28.052  -2.7995   10.417   8.1200   13.182 -20.9600   16.999   80.330   34.685   60.953   30.055 19.37779 45.89542 
1 1 1   -7    2   45 o  196.064   19.684   56.397   9.8617   59.666   13.268   52.363   14.741  191.777   27.495  169.798   34.689 21.97897 44.26397 
1 1 1   -7    2   46 o   52.913   24.762  -3.6818   8.4733 -13.1951   12.341   4.8033   11.655   54.255   26.517   71.040   31.578 -16.78437 41.23485 
1 1 1   -7    2   47 o  108.883   31.607   22.455   9.4400   24.062   13.216   20.781   13.488  102.715   37.786   95.698   37.458 7.016197 53.20629 
1 1 1   -7    2   48 o   70.479   28.666   8.2104   8.2094   21.656   11.856  -4.1750   11.379   97.056   35.776   57.511   27.436 39.54556 45.08510 
1 1 1   -7    3    1 o  521.973   8.5239  353.447   11.525  344.502   16.162  362.700   16.438  514.898   12.118  528.338   12.011 -13.43951 17.06229 
1 1 1   -7    3    2 o  1198.95   12.944  1868.94   40.199  1852.87   56.464  1885.46   57.244  1191.51   18.295  1201.90   18.387 -10.38611 25.93789 
1 1 1   -7    3    3 o  586.381   8.9168  446.175   13.544  444.135   19.168  448.209   19.140  584.476   12.661  587.164   12.584 -2.687866 17.85097 
1 1 1   -7    3    4 o  437.933   8.3681  248.832   9.4926  243.182   13.445  254.446   13.404  432.528   12.001  442.472   11.695 -9.943909 16.75675 
1 1 1   -7    3    5 o  354.878   9.3782  163.496   8.6208  176.100   14.819  157.049   10.599  367.539   15.566  347.574   11.772 19.96558 19.51607 
1 1 1   -7    3    6 o  553.550   12.382  398.590   17.753  397.400   25.003  399.800   25.213  551.528   17.501  553.164   17.596 -1.636902 24.81766 
1 1 1   -7    3    7 o  314.573   11.921  128.700   9.7139  128.700   13.239  128.700   14.297  313.581   16.356  313.304   17.689 0.2762756 24.09164 
1 1 1   -7    3    8 o  471.373   8.8031  288.426   10.749  286.402   15.369  290.365   15.038  469.151   12.647  472.447   12.288 -3.296082 17.63360 
1 1 1   -7    3    9 o  115.092   19.067   17.774   5.4852   0.0000   0.0000   17.774   5.4852  ?   ?   115.092   19.067 0.000000 19.06674 
1 1 1   -7    3   10 o  412.813   8.7894  221.125   9.3986  219.754   13.331  222.480   13.252  411.137   12.518  413.698   12.367 -2.561340 17.59655 
1 1 1   -7    3   11 o  534.016   9.1162  369.960   12.610  378.033   18.018  362.210   17.654  539.361   12.897  527.951   12.909 11.41022 18.24766 
1 1 1   -7    3   12 f  129.090   16.634   22.037   5.4327   25.820   6.4560   12.860   10.056  139.630   18.290  100.835   33.214 38.79562 37.91650 
1 1 1   -7    3   13 o  311.802   10.911  126.121   8.8123  128.646   10.701  120.800   15.533  314.794   13.124  303.947   19.838 10.84735 23.78578 
1 1 1   -7    3   14 o  395.778   9.2937  203.076   9.5278  198.992   13.504  207.124   13.444  391.571   13.314  399.512   12.992 -7.940582 18.60237 
1 1 1   -7    3   15 o  367.944   9.5023  175.506   9.0565  187.313   13.145  164.836   12.495  379.945   13.356  356.412   13.535 23.53339 19.01525 
1 1 1   -7    3   16 f  265.249   11.998   91.252   8.2438  104.000   14.056   84.569   10.178  282.195   19.347  254.762   15.497 27.43307 24.78806 
1 1 1   -7    3   17 o  394.427   20.849  202.900   21.226  202.900   21.226   0.0000   0.0000  394.427   20.849  ?   ?  0.000000 20.84907 
1 1 1   -7    3   18 o  758.483   10.895  745.976   21.405  721.204   30.004  771.654   30.546  745.327   15.541  770.984   15.295 -25.65723 21.80527 
1 1 1   -7    3   19 o  564.227   10.263  412.777   14.999  396.500   21.035  429.613   21.393  552.666   14.693  575.311   14.356 -22.64459 20.54220 
1 1 1   -7    3   20 o  332.205   10.652  143.122   9.1665  150.982   13.307  136.026   12.645  340.980   15.066  323.650   15.083 17.32965 21.31875 
1 1 1   -7    3   21 o  316.894   11.179  130.270   9.1759  133.078   13.252  127.684   12.718  320.024   15.986  313.491   15.662 6.532837 22.37978 
1 1 1   -7    3   22 f  172.472   16.413   39.020   7.2442   40.289   10.551   37.889   9.9642  174.055   24.043  168.810   23.418 5.245087 33.56324 
1 1 1   -7    3   23 o  629.569   10.395  514.225   16.951  519.397   24.232  509.269   23.721  632.170   14.798  626.000   14.629 6.169189 20.80840 
1 1 1   -7    3   24 o   69.152   27.017   3.8109   7.0070   12.393   10.492  -3.0975   9.4139  100.215   33.945   64.272   28.483 35.94386 44.31190 
1 1 1   -7    3   25 o  429.262   11.040  239.247   12.276  256.456   17.769  223.533   16.979  443.903   15.454  414.384   15.819 29.51944 22.11448 
1 1 1   -7    3   26 o   64.219   26.725   1.2956   7.3535   11.450   12.786  -3.7231   8.9888  101.760   37.207   61.471   27.499 40.28981 46.26592 
1 1 1   -7    3   27 f  193.271   25.041   49.998   12.242   50.350   18.435   49.720   16.373  190.097   38.752  190.120   34.518 -0.2307129E-01 51.89576 
1 1 1   -7    3   28 o  394.863   11.256  202.792   11.512  206.928   16.642  198.997   15.943  397.981   16.143  390.358   15.767 7.623291 22.56520 
1 1 1   -7    3   29 o  228.820   14.359   68.647   8.4679   75.578   12.372   62.538   11.615  238.773   20.193  216.851   20.938 21.92229 29.08837 
1 1 1   -7    3   30 o   68.203   26.090   4.4320   6.4340   15.278   9.2682  -5.6573   8.9389  105.202   31.526   57.832   26.483 47.37040 41.17281 
1 1 1   -7    3   31 o  103.636   25.146   14.976   6.6816   32.412   9.9438   0.6223   9.0219  153.325   25.964   68.069   29.029 85.25568 38.94622 
1 1 1   -7    3   32 o  195.921   16.023   50.891   8.0605   60.593   11.472   41.433   11.327  212.170   21.157  173.300   26.039 38.87000 33.55051 
1 1 1   -7    3   33 o   58.041   24.632   0.6371   6.4392  -9.9445   9.5432   9.4812   8.7246   54.371   25.702   86.889   30.867 -32.51731 40.16677 
1 1 1   -7    3   34 o  277.902   12.079  101.284   8.6950  107.398   12.140   94.844   12.460  284.168   16.564  266.273   18.173 17.89484 24.58938 
1 1 1   -7    3   35 o  362.632   13.067  173.205   12.275  183.420   14.965  152.200   21.459  371.893   15.534  331.756   25.158 40.13620 29.56775 
1 1 1   -7    3   36 o   83.871   35.196   4.8190   12.912   4.8190   12.912   0.0000   0.0000   83.871   35.196  ?   ?  0.000000 35.19629 
1 1 1   -7    3   37 o  132.954   24.418   25.306   8.0994   25.568   9.4000   24.550   15.959  131.592   28.409  123.052   41.862 8.540100 50.59177 
1 1 1   -7    3   38 o   95.814   26.062   13.556   6.6397   14.857   9.4019   12.261   9.3781   99.101   32.087   91.958   32.057 7.142921 45.35669 
1 1 1   -7    3   39 o  107.738   25.864   17.279   7.1264   14.776   9.4590   20.564   10.837   98.083   32.208  113.409   34.114 -15.32592 46.91627 
1 1 1   -7    3   40 o  301.118   13.119  121.153   10.233  115.365   14.446  126.981   14.496  288.046   19.476  303.208   18.546 -15.16177 26.89363 
1 1 1   -7    3   41 o  199.279   16.699   54.687   8.5402   55.820   11.549   53.319   12.687  196.161   23.177  188.498   26.732 7.662735 35.38000 
1 1 1   -7    3   42 o  177.279   22.091   45.752   9.9240   9.9770   20.071   57.329   11.417   92.950   41.371  198.085   22.659 -105.1345 47.17038 
1 1 1   -7    3   43 o   92.279   34.011   14.469   10.715   15.220   19.891   14.162   12.717   95.870   41.983   91.792   36.234 4.078056 55.45750 
1 1 1   -7    3   44 o   60.018   29.525 -19.2100   16.091 -19.2100   16.091   0.0000   0.0000   60.018   29.525  ?   ?  0.000000 29.52547 
1 1 1   -7    3   45 o   48.222   23.065  -7.1883   8.1517 -11.3808   12.324  -3.9271   10.869   56.157   27.232   59.513   27.912 -3.355839 38.99534 
1 1 1   -7    3   46 o   74.947   29.307   8.9944   8.2509   13.532   10.793   2.6136   12.799   85.405   33.486   69.654   31.818 15.75134 46.19179 
1 1 1   -7    3   47 o   90.295   31.274   15.617   8.9182   20.818   13.120   11.150   12.159   95.913   37.109   79.175   33.731 16.73848 50.14851 
1 1 1   -7    3   48 o   82.454   31.380   13.601   9.2774   15.704   13.090   11.477   13.151   83.738   35.304   77.415   34.014 6.323067 49.02365 
1 1 1   -7    4    1 o  490.894   8.4982  312.663   10.806  304.400   22.065  315.270   12.394  482.932   17.639  492.801   9.7094 -9.869568 20.13438 
1 1 1   -7    4    2 o  625.556   9.1299  507.892   14.794  510.033   21.010  505.788   20.834  626.202   12.953  623.602   12.898 2.600281 18.27928 
1 1 1   -7    4    3 o  920.570   10.958  1101.06   26.129  1097.57   36.937  1104.55   36.967  917.647   15.539  920.572   15.502 -2.925171 21.94995 
1 1 1   -7    4    4 o  313.846   9.3965  127.881   7.6389  123.100   12.529  130.709   9.6372  306.843   15.818  317.083   11.734 -10.23987 19.69467 
1 1 1   -7    4    5 o  277.392   11.154  100.012   8.0143  107.800   11.325   92.200   11.343  287.145   15.282  265.263   16.591 21.88281 22.55635 
1 1 1   -7    4    6 o  582.667   10.380  441.104   15.666  440.700   26.751  441.316   19.327  580.620   17.787  582.323   12.813 -1.703308 21.92119 
1 1 1   -7    4    7 o  379.027   12.839  186.973   12.606  165.200   17.836  208.700   17.817  354.633   19.492  399.669   17.210 -45.03607 26.00235 
1 1 1   -7    4    8 o  512.908   8.9244  341.495   11.857  336.297   16.800  346.653   16.737  508.390   12.757  516.203   12.517 -7.812927 17.87227 
1 1 1   -7    4    9 o  664.802   9.6451  573.799   16.609  564.235   23.353  583.588   23.628  658.430   13.692  669.643   13.622 -11.21338 19.31403 
1 1 1   -7    4   10 o  313.320   8.8990  127.370   7.2223  122.675   10.136  132.212   10.294  307.206   12.738  318.948   12.459 -11.74197 17.81810 
1 1 1   -7    4   11 o  317.997   8.9687  131.167   7.3876  123.157   10.402  139.319   10.493  307.874   13.044  327.505   12.369 -19.63165 17.97627 
1 1 1   -7    4   12 o  445.657   9.0945  257.560   10.499  263.983   15.047  251.467   14.655  450.890   12.884  440.074   12.856 10.81607 18.20074 
1 1 1   -7    4   13 o  517.771   18.854  348.800   25.287   0.0000   0.0000  348.800   25.287  ?   ?   517.771   18.854 0.000000 18.85400 
1 1 1   -7    4   14 o  575.867   11.112  430.092   16.575  416.464   19.917  460.800   29.897  566.478   13.573  595.235   19.390 -28.75671 23.66880 
1 1 1   -7    4   15 o  450.760   9.4231  263.394   11.002  267.420   15.732  259.540   15.393  453.982   13.378  447.249   13.287 6.732544 18.85519 
1 1 1   -7    4   16 o  1068.48   17.321  1482.97   47.939  1489.00   67.959  1477.00   67.634  1069.06   24.541  1064.75   24.523 4.311890 34.69319 
1 1 1   -7    4   17 o  697.013   15.293  630.662   27.612  643.400   39.939  619.000   38.216  703.167   21.927  689.783   21.389 13.38354 30.63143 
1 1 1   -7    4   18 o  417.177   10.852  225.674   11.727  230.093   16.936  221.604   16.254  420.978   15.531  413.161   15.188 7.817078 21.72262 
1 1 1   -7    4   19 o  587.286   10.283  447.222   15.642  450.081   22.559  444.575   21.709  588.795   14.791  585.227   14.321 3.568970 20.58796 
1 1 1   -7    4   20 o  835.999   11.083  906.509   24.000  900.970   33.793  912.146   34.091  832.830   15.665  837.972   15.706 -5.142944 22.18249 
1 1 1   -7    4   21 o  377.630   10.525  184.965   10.295  190.829   15.075  179.840   14.094  383.266   15.184  372.108   14.622 11.15771 21.07991 
1 1 1   -7    4   22 o  491.085   10.140  312.816   12.898  312.776   18.216  312.857   18.266  490.685   14.332  490.744   14.369 -0.5914307E-01 20.29503 
1 1 1   -7    4   23 o  221.895   14.283   64.246   8.1661   70.666   11.256   57.114   11.865  232.150   18.883  207.970   22.377 24.18095 29.27941 
1 1 1   -7    4   24 o  315.289   11.504  129.064   9.3950  142.316   13.278  115.777   13.295  330.750   15.498  297.662   17.318 33.08771 23.24026 
1 1 1   -7    4   25 o  146.073   19.970   28.372   7.3583   26.601   10.124   30.355   10.713  139.597   28.948  149.388   28.728 -9.791046 40.78388 
1 1 1   -7    4   26 o  207.162   19.719   56.605   10.454   65.880   13.346   41.880   16.816  222.853   23.472  173.523   38.426 49.32982 45.02746 
1 1 1   -7    4   27 o   70.841   27.996   3.7978   7.6001  -7.3740   13.268   9.2531   9.2719   71.825   32.649   89.259   31.809 -17.43484 45.58240 
1 1 1   -7    4   28 o  282.729   12.341  104.079   9.0383   85.900   12.336  125.147   13.280  255.302   18.786  308.921   16.658 -53.61868 25.10760 
1 1 1   -7    4   29 o  422.731   10.922  232.623   11.960  236.700   16.902  228.535   16.926  425.372   15.340  417.890   15.637 7.481750 21.90480 
1 1 1   -7    4   30 o  155.749   17.956   32.337   7.1116   33.157   10.343   31.602   9.7943  155.225   26.685  151.720   25.849 3.505188 37.15141 
1 1 1   -7    4   31 o  302.384   11.796  119.421   9.2392  131.546   13.571  108.946   12.614  315.639   16.658  287.040   17.041 28.59808 23.83026 
1 1 1   -7    4   32 o  123.198   23.457   21.010   7.2122   32.524   10.244   9.6922   10.156  152.776   26.866   90.243   33.135 62.53321 42.65815 
1 1 1   -7    4   33 o  189.947   14.930   47.816   7.2866   49.200   10.609   46.581   10.025  190.262   21.929  185.329   21.268 4.933487 30.54845 
1 1 1   -7    4   34 o  306.155   13.542  123.371   10.739  122.361   13.257  125.300   18.315  303.089   16.954  302.908   23.527 0.1815186 28.99958 
1 1 1   -7    4   35 o   46.278   22.589 -15.1475   8.8722 -10.3900   11.417 -22.4000   14.097   60.012   28.290   58.481   28.530 1.531918 40.17800 
1 1 1   -7    4   36 o  127.641   34.455   24.916   11.657   16.920   17.392   31.440   15.708  110.560   42.739  139.892   40.820 -29.33279 59.10082 
1 1 1   -7    4   37 o  203.412   14.687   55.424   7.6864   67.872   10.897   43.099   10.844  222.767   19.068  174.001   24.757 48.76578 31.24891 
1 1 1   -7    4   38 o   96.386   26.998   13.822   7.0093   16.318   9.3004   10.540   10.664  103.157   31.721   88.857   33.685 14.30029 46.27005 
1 1 1   -7    4   39 o   62.849   25.964   2.8718   6.8682  -0.3113   9.8480   5.8862   9.5837   65.835   29.157   76.312   30.999 -10.47684 42.55609 
1 1 1   -7    4   40 f   75.832   28.292   7.5834   7.4582   14.514   11.214   2.0860   9.9873   96.616   34.917   69.551   30.111 27.06441 46.10750 
1 1 1   -7    4   41 o  109.646   27.152   18.573   7.6712   11.455   11.672   23.986   10.178   88.991   34.842  121.434   31.933 -32.44304 47.26152 
1 1 1   -7    4   42 o   86.723   30.284   11.820   8.3707   16.992   11.946   6.8311   11.733   99.360   36.018   79.128   33.396 20.23180 49.11878 
1 1 1   -7    4   43 o   90.397   31.511   13.667   9.0610  -7.9590   18.705   20.298   10.357   73.019   34.929  107.165   33.562 -34.14613 48.44033 
1 1 1   -7    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    4   45 o   57.208   26.111  -1.0459   8.5969  -3.1975   11.820   1.3705   12.526   62.271   29.174   68.703   31.420 -6.431591 42.87609 
1 1 1   -7    4   46 o   56.589   25.799  -0.5961   8.3616  -5.2410   11.794   4.0974   11.856   59.308   28.192   69.945   31.415 -10.63699 42.21037 
1 1 1   -7    4   47 o   68.444   28.489   6.7019   8.3593   9.3480   11.353   3.5686   12.354   75.597   32.410   68.442   31.263 7.154533 45.03074 
1 1 1   -7    4   48 o  103.460   30.234   20.742   8.6117   17.188   12.808   23.675   11.634   85.878   35.465  101.259   35.680 -15.38091 50.30695 
1 1 1   -7    5    1 o  266.957   8.2702   92.475   5.7188  105.100   12.975   89.432   6.3710  283.084   17.786  262.457   9.3713 20.62689 20.10352 
1 1 1   -7    5    2 o  397.652   9.5807  205.326   9.8684   0.0000   0.0000  205.326   9.8684  ?   ?   397.652   9.5807 0.000000 9.580656 
1 1 1   -7    5    3 o  553.796   12.181  398.896   17.474  386.000   24.345  412.600   25.096  543.606   17.289  562.038   17.238 -18.43256 24.41477 
1 1 1   -7    5    4 o  141.850   12.309   26.371   4.4778   25.950   6.3011   26.800   6.3645  139.806   17.804  142.137   17.668 -2.331406 25.08219 
1 1 1   -7    5    5 o  620.845   10.605  500.890   17.055  477.800   28.428  513.874   21.317  604.415   18.158  628.287   13.098 -23.87231 22.38892 
1 1 1   -7    5    6 o  645.743   9.4448  541.497   15.798  548.798   22.629  534.554   22.066  649.194   13.457  640.755   13.295 8.439087 18.91620 
1 1 1   -7    5    7 f  445.904   13.002  258.775   15.018  261.600   21.976  256.300   20.571  447.104   18.975  442.795   17.935 4.308929 26.11016 
1 1 1   -7    5    8 o  153.720   10.910   30.856   4.3157   26.825   6.1865   34.677   6.0235  142.352   17.121  162.540   14.458 -20.18709 22.40883 
1 1 1   -7    5    9 o   98.010   15.448   12.812   3.7921   9.4617   5.2026   16.608   5.5387   83.690   23.196  111.064   19.987 -27.37490 30.61913 
1 1 1   -7    5   10 o  297.062   9.1712  114.485   7.0570  108.648   9.8533  120.633   10.112  289.131   13.156  304.687   12.812 -15.55679 18.36437 
1 1 1   -7    5   11 o  122.196   14.494   19.678   4.4981   23.641   6.2955   15.546   6.4292  133.426   18.732  106.974   23.814 26.45164 30.29849 
1 1 1   -7    5   12 o   91.455   18.471   11.274   4.2250   15.878   5.9631   6.6325   5.9872  108.428   21.984   74.614   25.637 33.81396 33.77178 
1 1 1   -7    5   13 o  488.207   9.3165  309.017   11.782  320.016   16.901  298.620   16.432  496.563   13.140  479.670   13.225 16.89343 18.64313 
1 1 1   -7    5   14 o  661.160   11.480  566.956   19.660  570.428   24.129  560.100   33.911  662.947   14.051  656.212   19.950 6.735291 24.40175 
1 1 1   -7    5   15 o  539.415   11.242  377.330   15.708  365.016   18.904  404.800   28.234  530.372   13.760  557.986   19.534 -27.61438 23.89402 
1 1 1   -7    5   16 o  608.213   13.691  479.995   21.569  491.500   30.644  468.700   30.364  614.904   19.239  600.440   19.523 14.46423 27.40952 
1 1 1   -7    5   17 o  677.902   15.636  596.642   27.457  608.400   39.933  586.100   37.812  683.650   22.550  671.122   21.751 12.52795 31.33095 
1 1 1   -7    5   18 o  413.074   10.621  221.254   11.364  228.934   16.192  213.797   15.954  419.943   14.886  405.804   15.178 14.13940 21.25891 
1 1 1   -7    5   19 o  497.730   10.276  321.240   13.249  307.593   18.751  334.846   18.722  486.723   14.872  507.881   14.231 -21.15781 20.58445 
1 1 1   -7    5   20 o  762.029   10.846  753.183   21.410  730.338   29.831  777.449   30.744  749.830   15.359  773.638   15.342 -23.80872 21.70876 
1 1 1   -7    5   21 o  358.490   10.664  166.708   9.9021  168.304   13.882  165.054   14.129  359.935   14.889  356.412   15.304 3.523102 21.35186 
1 1 1   -7    5   22 f  419.830   10.858  228.692   11.808  218.795   16.758  238.449   16.639  410.235   15.771  428.342   14.997 -18.10696 21.76268 
1 1 1   -7    5   23 o  472.964   10.410  290.257   12.754  284.903   18.021  295.629   18.053  468.131   14.861  476.891   14.614 -8.759888 20.84278 
1 1 1   -7    5   24 o  173.213   18.330   39.540   8.0991   43.651   11.817   35.898   11.122  180.628   26.007  163.208   27.271 17.42033 37.68346 
1 1 1   -7    5   25 o  295.707   12.081  113.618   9.2538  104.985   13.134  122.126   13.040  283.137   18.002  305.712   16.528 -22.57578 24.43878 
1 1 1   -7    5   26 o  731.868   21.398  701.900   40.565  701.900   40.565   0.0000   0.0000  731.868   21.398  ?   ?  0.000000 21.39778 
1 1 1   -7    5   27 o  137.084   27.792   25.760   9.5309   32.030   20.696   24.073   10.737  151.771   47.428  131.766   31.818 20.00494 57.11230 
1 1 1   -7    5   28 o  233.751   13.677   71.493   8.2449   50.577   11.839   91.190   11.489  194.168   24.054  263.431   16.926 -69.26332 29.41260 
1 1 1   -7    5   29 f  195.784   16.667   50.614   8.3719   48.552   12.047   52.540   11.643  189.422   25.177  197.792   23.163 -8.369614 34.21076 
1 1 1   -7    5   30 o   46.789   21.850  -6.0046   6.5410  -9.3308   9.7090  -3.2403   8.8512   56.147   26.348   60.960   27.278 -4.813183 37.92530 
1 1 1   -7    5   31 o  322.090   11.620  135.503   9.6950  128.874   14.209  141.278   13.262  311.930   17.658  327.770   15.620 -15.84021 23.57506 
1 1 1   -7    5   32 o  270.190   12.579   95.616   8.8035   84.606   11.954  108.666   13.014  251.924   18.446  285.990   17.654 -34.06558 25.53276 
1 1 1   -7    5   33 f  274.546   13.889   99.380   9.8452  108.927   12.981   86.450   15.106  285.956   17.610  251.915   23.418 34.04108 29.30061 
1 1 1   -7    5   34 o  102.478   29.650   15.100   8.3194   12.154   10.233   20.840   14.287   95.311   33.473  118.864   39.610 -23.55299 51.85905 
1 1 1   -7    5   35 o   64.688   28.404  -0.8055   9.1582   15.400   11.878 -24.5600   14.381  104.029   36.089   57.790   28.325 46.23933 45.87711 
1 1 1   -7    5   36 o   47.213   22.403  -7.9301   7.3837   0.4755   18.212  -9.5836   8.0774   88.476   39.392   48.202   23.029 40.27384 45.62978 
1 1 1   -7    5   37 o   42.354   20.517 -10.3794   6.9496  -2.7443   10.174 -17.0575   9.5152   64.070   28.909   46.642   22.897 17.42804 36.87828 
1 1 1   -7    5   38 o   55.820   24.247   0.1202   6.5199  -5.6497   9.9800   4.4165   8.6117   59.171   27.413   71.427   29.241 -12.25609 40.08127 
1 1 1   -7    5   39 o  112.281   26.294   18.890   7.5129   14.124   10.587   23.725   10.663   96.194   34.021  121.937   32.969 -25.74261 47.37471 
1 1 1   -7    5   40 o   49.912   22.644  -2.3505   6.3428  -9.6269   8.7033   5.8919   9.2630   49.562   23.740   74.876   30.452 -25.31313 38.61216 
1 1 1   -7    5   41 o   47.134   22.438  -7.4874   7.5258  -3.3982   10.549 -11.7259   10.740   62.252   28.603   53.988   25.992 8.264442 38.64851 
1 1 1   -7    5   42 o  123.450   26.187   23.604   8.1145   28.601   12.349   19.806   10.765  126.944   35.933  106.740   34.310 20.20365 49.68270 
1 1 1   -7    5   43 o   72.909   29.694   6.6713   8.8235   5.1461   12.384   8.2440   12.575   75.684   33.136   80.628   34.326 -4.944168 47.70971 
1 1 1   -7    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    5   45 o   97.312   34.447   18.374   10.856   19.130   21.297   18.108   12.619   93.410   42.016   94.800   36.473 -1.390137 55.63825 
1 1 1   -7    5   46 o  100.303   43.968   29.030   21.863   29.030   21.863   0.0000   0.0000  100.303   43.968  ?   ?  0.000000 43.96789 
1 1 1   -7    5   47 o   70.931   28.641   8.0708   8.1287   10.132   10.628   5.1658   12.617   76.215   31.955   70.296   31.910 5.918221 45.15928 
1 1 1   -7    5   48 o   63.922   27.949   5.0173   8.7841   10.282   12.650   0.1150   12.207   74.677   33.060   62.304   29.334 12.37289 44.19835 
1 1 1   -7    6    1 o  335.233   11.122  146.086   9.6577   0.0000   0.0000  146.086   9.6577  ?   ?   335.233   11.122 0.000000 11.12189 
1 1 1   -7    6    2 o  182.252   10.342   43.295   4.8623   70.320   11.637   37.579   5.3518  230.877   19.645  169.518   12.271 61.35840 23.16255 
1 1 1   -7    6    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7    6    4 o  386.509   9.5791  194.017   9.5904  190.600   15.948  195.953   12.003  382.126   16.112  388.136   11.939 -6.009888 20.05314 
1 1 1   -7    6    5 o  187.305   9.5415   45.679   4.6139   43.351   6.7116   47.765   6.3533  181.836   14.367  191.137   12.908 -9.301422 19.31352 
1 1 1   -7    6    6 o  392.249   13.267  200.281   13.480  185.400   19.500  213.900   18.655  375.651   20.113  404.551   17.803 -28.89984 26.86006 
1 1 1   -7    6    7 o  220.493   9.6892   63.127   5.5339   66.457   8.1182   60.236   7.5635  225.501   13.967  214.689   13.672 10.81241 19.54490 
1 1 1   -7    6    8 o  623.359   9.4608  504.351   15.276  494.256   21.538  514.571   21.670  616.404   13.489  628.982   13.301 -12.57806 18.94390 
1 1 1   -7    6    9 o  242.204   9.4224   76.117   5.9114   75.897   8.4871   76.324   8.2385  241.231   13.638  241.964   13.194 -0.7330322 18.97622 
1 1 1   -7    6   10 o  127.275   13.913   21.302   4.5121   18.122   6.4824   24.291   6.2844  115.840   22.414  135.316   18.407 -19.47582 29.00355 
1 1 1   -7    6   11 o  612.495   9.6252  486.555   15.271  465.075   21.247  509.505   21.963  598.393   13.708  626.347   13.537 -27.95343 19.26530 
1 1 1   -7    6   12 o  308.258   9.6674  123.216   7.7193  122.656   11.075  123.745   10.765  307.361   13.910  308.746   13.461 -1.385437 19.35686 
1 1 1   -7    6   13 o  225.326   10.880   65.845   6.3505   57.066   8.9461   74.762   9.0161  208.921   16.670  239.529   14.601 -30.60779 22.16036 
1 1 1   -7    6   14 o  746.376   10.376  722.312   20.061  743.724   28.938  702.501   27.835  756.922   14.759  735.663   14.607 21.25897 20.76548 
1 1 1   -7    6   15 o  601.823   19.016  470.800   29.644  470.800   29.644   0.0000   0.0000  601.823   19.016  ?   ?  0.000000 19.01618 
1 1 1   -7    6   16 o  277.302   13.622   99.778   9.7845  111.043   12.212   79.580   16.352  291.978   16.210  245.690   26.093 46.28790 30.71873 
1 1 1   -7    6   17 o  1080.79   14.814  1516.29   41.472  1535.00   74.004  1507.72   50.074  1084.80   26.336  1077.17   17.947 7.635742 31.86981 
1 1 1   -7    6   18 o  104.033   24.544   14.675   6.5071   22.544   8.8082   5.2202   9.6548  129.018   27.213   81.188   31.716 47.83041 41.79000 
1 1 1   -7    6   19 o  968.712   11.912  1217.44   29.890  1219.08   42.465  1215.82   42.079  968.532   16.927  967.259   16.795 1.272949 23.84473 
1 1 1   -7    6   20 o  344.079   11.046  153.579   9.8448  143.085   14.003  163.834   13.843  331.805   16.293  355.139   15.049 -23.33398 22.17926 
1 1 1   -7    6   21 o  462.791   10.418  277.825   12.488  260.946   17.638  294.796   17.685  448.116   15.195  476.383   14.332 -28.26706 20.88752 
1 1 1   -7    6   22 o  167.590   16.535   36.887   7.0846   29.530   10.408   43.238   9.6709  147.668   28.239  180.878   21.034 -33.21048 35.21178 
1 1 1   -7    6   23 o  158.033   19.548   33.054   7.8313   36.928   11.082   29.191   11.068  165.779   26.716  146.334   30.200 19.44420 40.32124 
1 1 1   -7    6   24 o  504.865   14.830  331.603   19.393   0.0000   0.0000  331.603   19.393  ?   ?   504.865   14.830 0.000000 14.82954 
1 1 1   -7    6   25 o  269.814   14.435   95.013   10.052   81.160   15.084  106.080   13.482  247.594   23.813  284.487   18.394 -36.89293 30.08987 
1 1 1   -7    6   26 o   64.904   29.070  -4.1735   10.077  -4.1735   10.077   0.0000   0.0000   64.904   29.070  ?   ?  0.000000 29.06987 
1 1 1   -7    6   27 o  185.581   17.753   45.461   8.4301   39.082   12.083   51.512   11.768  169.339   28.562  196.326   23.613 -26.98737 37.05878 
1 1 1   -7    6   28 o  266.330   12.658   92.449   8.7325   92.209   13.255   92.632   11.607  264.160   19.510  265.408   16.973 -1.247894 25.85943 
1 1 1   -7    6   29 o  231.621   14.823   70.488   8.8468   61.107   12.688   79.363   12.341  213.285   23.348  244.555   19.648 -31.26944 30.51498 
1 1 1   -7    6   30 f  398.970   11.023  207.581   11.391  202.058   16.725  212.360   15.558  391.973   16.472  402.388   14.926 -10.41510 22.22913 
1 1 1   -7    6   31 o   57.121   24.608  -0.1849   6.6043  -5.7746   9.2488   5.6308   9.4338   58.533   26.853   79.337   31.243 -20.80397 41.19711 
1 1 1   -7    6   32 o  288.089   13.889  109.031   10.364  104.252   12.736  118.400   17.832  279.977   17.652  295.544   23.487 -15.56616 29.38135 
1 1 1   -7    6   33 o  263.568   14.961   91.939   10.172   92.730   12.694   90.520   17.002  263.116   18.748  256.119   25.987 6.997009 32.04410 
1 1 1   -7    6   34 o  126.953   22.505   22.441   7.1297   31.136   10.486   14.966   9.7230  147.392   28.497  102.205   32.582 45.18719 43.28552 
1 1 1   -7    6   35 o   49.893   24.303 -16.2800   10.119 -16.2800   10.119   0.0000   0.0000   49.893   24.303  ?   ?  0.000000 24.30321 
1 1 1   -7    6   36 o  133.329   27.844   26.034   9.3060   26.630   19.619   25.861   10.571  127.240   46.154  130.921   31.544 -3.681000 55.90388 
1 1 1   -7    6   37 o  163.001   18.630   36.546   7.7248   26.351   11.323   45.423   10.566  130.036   33.430  179.153   23.321 -49.11766 40.76070 
1 1 1   -7    6   38 o   58.377   24.959   1.0638   6.7005   0.1121   8.9175   2.2978   10.154   63.924   28.049   71.129   30.577 -7.205143 41.49342 
1 1 1   -7    6   39 o   79.728   27.378   9.0868   6.8276   17.500   9.8097   1.1822   9.5087  104.974   32.628   67.002   29.193 37.97176 43.78115 
1 1 1   -7    6   40 o   58.838   25.402   1.0012   7.0684   0.0429   10.391   1.8265   9.6431   66.998   29.797   67.877   29.487 -0.8788681 41.92089 
1 1 1   -7    6   41 o   65.799   26.906   4.1549   7.2812   7.2173   11.043   1.7992   9.6849   79.397   32.871   67.212   29.368 12.18542 44.07908 
1 1 1   -7    6   42 o   94.729   29.994   14.740   8.2505   7.3768   11.278   23.218   12.101   78.699   32.953  113.007   36.384 -34.30727 49.08815 
1 1 1   -7    6   43 o   63.853   25.790   4.6046   6.5931  -4.4788   9.4160   13.342   9.2348   55.995   26.171   88.743   31.732 -32.74852 41.13239 
1 1 1   -7    6   44 o  129.984   48.554   46.200   21.979   46.200   21.979   0.0000   0.0000  129.984   48.554  ?   ?  0.000000 48.55354 
1 1 1   -7    6   45 o   51.723   24.692  -6.7842   9.2475 -16.5900   20.102  -4.1520   10.415   66.317   32.697   57.629   27.122 8.688412 42.48144 
1 1 1   -7    6   46 o   57.285   27.009  -3.7429   10.415  -9.7090   19.775  -1.4529   12.251   68.121   33.352   63.414   29.707 4.706909 44.66364 
1 1 1   -7    6   47 o   58.270   27.073  -0.8663   9.8403 -16.6900   19.039   4.9017   11.495   61.958   30.773   68.273   30.774 -6.315422 43.52039 
1 1 1   -7    6   48 o   53.275   25.111  -2.4905   8.9906 -10.5625   12.831   5.2950   12.601   54.216   26.610   67.772   31.185 -13.55568 40.99469 
1 1 1   -7    7    1 o  279.565   8.7086  101.455   6.3064   96.040   14.712  102.674   6.9802  269.685   21.232  281.171   9.5840 -11.48654 23.29493 
1 1 1   -7    7    2 o  1208.47   15.159  1904.51   47.453   0.0000   0.0000  1904.51   47.453  ?   ?   1208.47   15.159 0.000000 15.15926 
1 1 1   -7    7    3 o  339.015   11.582  149.447   10.171   0.0000   0.0000  149.447   10.171  ?   ?   339.015   11.582 0.000000 11.58212 
1 1 1   -7    7    4 o  664.800   9.6502  573.951   16.618  555.800   34.028  579.637   19.043  651.250   20.171  667.813   11.009 -16.56287 22.97983 
1 1 1   -7    7    5 o  380.073   13.469  188.041   13.260  177.000   19.205  198.100   18.331  367.033   20.279  389.299   18.178 -22.26584 27.23348 
1 1 1   -7    7    6 o  238.341   11.107   73.811   6.8570   85.390   14.142   70.252   7.8404  254.318   21.674  232.013   13.100 22.30475 25.32487 
1 1 1   -7    7    7 o  193.385   10.335   48.695   5.1583   47.468   7.3067   49.915   7.2832  190.364   14.938  195.301   14.500 -4.937073 20.81828 
1 1 1   -7    7    8 o  157.218   11.501   32.271   4.6512   26.275   6.6440   38.034   6.5134  140.718   18.690  170.331   14.913 -29.61290 23.91052 
1 1 1   -7    7    9 o  162.936   11.770   34.649   4.9340   29.072   7.0083   40.130   6.9476  148.203   18.670  174.966   15.490 -26.76244 24.25930 
1 1 1   -7    7   10 o  676.011   9.8871  592.766   17.313  569.310   24.215  617.297   24.763  661.981   14.122  689.353   13.868 -27.37256 19.79238 
1 1 1   -7    7   11 o  179.062   11.582   41.774   5.3435   43.441   7.7713   40.279   7.3592  182.052   16.664  175.280   16.399 6.771561 23.38028 
1 1 1   -7    7   12 o  277.462   9.9917   99.824   7.1812  105.045   10.358   94.993   9.9647  284.463   14.057  270.123   14.292 14.33951 20.04691 
1 1 1   -7    7   13 o  450.893   9.4195  263.562   11.002  255.187   15.648  271.749   15.471  443.439   13.623  457.640   13.051 -14.20132 18.86548 
1 1 1   -7    7   14 o  829.636   12.422  892.862   26.694  872.000   45.016  904.177   33.152  818.641   21.229  834.530   15.336 -15.88849 26.18871 
1 1 1   -7    7   15 o  750.831   12.271  731.252   23.865  738.849   29.774  717.600   39.911  754.411   15.236  742.740   20.745 11.67102 25.73886 
1 1 1   -7    7   16 o  513.329   16.056  342.183   21.349  326.700   31.590  355.200   28.966  500.723   24.356  522.467   21.403 -21.74387 32.42381 
1 1 1   -7    7   17 o  821.472   12.952  875.564   27.560  874.258   33.497  878.300   48.485  820.504   15.761  821.206   22.793 -0.7023315 27.71143 
1 1 1   -7    7   18 o  408.128   10.271  215.995   10.858  217.988   15.318  213.983   15.394  409.762   14.432  405.967   14.639 3.795441 20.55712 
1 1 1   -7    7   19 o  511.592   10.082  339.411   13.360  334.708   18.796  344.214   18.994  507.706   14.293  514.869   14.242 -7.163635 20.17693 
1 1 1   -7    7   20 o  394.603   10.733  201.992   10.970  197.785   15.440  206.282   15.591  390.151   15.278  398.459   15.105 -8.307404 21.48435 
1 1 1   -7    7   21 o  737.538   10.928  705.805   20.877  708.094   29.686  703.564   29.367  738.045   15.528  735.701   15.410 2.343811 21.87687 
1 1 1   -7    7   22 o  284.241   13.015  104.942   9.5823  104.525   13.482  105.368   13.622  282.663   18.515  283.788   18.635 -1.124725 26.26930 
1 1 1   -7    7   23 o  288.631   12.367  108.213   9.2462  108.848   12.738  107.506   13.443  288.591   17.116  286.630   18.201 1.961487 24.98427 
1 1 1   -7    7   24 o  207.603   15.970   56.456   8.5222   63.216   11.879   49.286   12.233  218.863   21.220  192.185   25.179 26.67827 32.92853 
1 1 1   -7    7   25 o  393.304   14.857  201.452   15.136  194.400   20.792  209.400   22.075  384.766   20.941  399.251   21.424 -14.48511 29.95814 
1 1 1   -7    7   26 o  645.871   15.965  544.318   26.709  563.300   38.967  527.500   36.680  654.430   22.987  633.557   22.351 20.87250 32.06206 
1 1 1   -7    7   27 o  239.034   14.109   74.772   8.6969   74.627   11.985   74.934   12.639  237.661   19.645  237.890   20.718 -0.2299194 28.55114 
1 1 1   -7    7   28 o  673.039   10.816  589.604   18.857  563.101   26.797  615.600   26.540  655.908   15.772  686.176   14.932 -30.26782 21.71946 
1 1 1   -7    7   29 o  240.517   14.296   75.966   8.8664   73.063   12.509   78.897   12.569  234.054   20.851  243.525   20.106 -9.471344 28.96551 
1 1 1   -7    7   30 o  224.960   14.534   66.644   8.4236   56.935   12.201   75.488   11.644  205.118   23.381  238.121   19.038 -33.00278 30.15131 
1 1 1   -7    7   31 o  203.878   17.527   55.357   9.1661   62.241   11.449   43.070   15.296  215.103   20.809  172.450   35.429 42.65326 41.08762 
1 1 1   -7    7   32 o  307.042   13.340  123.792   10.609  105.880   13.334  154.700   17.516  281.690   18.375  339.830   19.986 -58.13916 27.14903 
1 1 1   -7    7   33 o   95.569   27.105   12.962   7.0195   16.564   9.7434   9.0744   10.122  107.147   32.372   87.807   32.919 19.33929 46.16994 
1 1 1   -7    7   34 o  196.242   23.081   53.148   11.508   53.148   11.508   0.0000   0.0000  196.242   23.081  ?   ?  0.000000 23.08076 
1 1 1   -7    7   35 o   63.256   28.175  -1.8676   9.3265  -1.8676   9.3265   0.0000   0.0000   63.256   28.175  ?   ?  0.000000 28.17475 
1 1 1   -7    7   36 o  198.541   15.409   52.967   7.8623   49.194   10.836   57.163   11.425  187.368   22.796  202.550   22.137 -15.18233 31.77596 
1 1 1   -7    7   37 o   50.994   23.195  -2.9496   6.7097  -5.2560   9.4002  -0.5539   9.5802   57.846   26.730   65.162   28.813 -7.316715 39.30267 
1 1 1   -7    7   38 o   88.722   28.248   11.721   7.3103   14.478   10.454   9.0825   10.226   97.283   33.851   84.286   32.719 12.99664 47.07898 
1 1 1   -7    7   39 o  113.153   25.283   19.122   7.2238   30.508   11.240   11.109   9.4289  138.803   31.928   87.423   31.953 51.38095 45.17030 
1 1 1   -7    7   40 o  156.042   20.989   34.837   8.2683   38.000   12.197   32.147   11.247  154.512   31.543  141.853   31.435 12.65901 44.53214 
1 1 1   -7    7   41 o  107.306   29.288   18.532   8.3682   17.096   12.210   19.805   11.492   99.838   36.381  106.666   35.523 -6.827705 50.84750 
1 1 1   -7    7   42 o   80.734   29.742   10.022   8.1924   16.644   12.247   4.6589   11.022   96.826   36.228   73.288   31.680 23.53813 48.12628 
1 1 1   -7    7   43 o   71.728   30.284   5.7751   9.6536   26.180   15.624  -6.8241   12.277  110.591   41.010   60.711   28.831 49.87928 50.13093 
1 1 1   -7    7   44 o   75.098   32.407   7.0204   11.493   15.930   20.550   2.9650   13.864   91.135   41.106   72.701   33.174 18.43314 52.82249 
1 1 1   -7    7   45 o   79.579   30.972   10.871   9.1815   3.4791   12.882   18.503   13.089   70.701   32.151   93.881   36.855 -23.17979 48.90799 
1 1 1   -7    7   46 o   49.681   23.812  -6.7116   8.7894  -6.5667   12.997  -6.8338   11.932   59.681   28.697   57.335   27.550 2.345921 39.78121 
1 1 1   -7    7   47 o   65.404   29.354   4.2251   10.332   15.810   19.851  -0.0785   12.099   82.484   38.367   62.735   29.431 19.74990 48.35520 
1 1 1   -7    8    1 o  319.738   10.093  132.784   8.3591  133.100   14.006  132.609   10.418  318.841   17.020  319.275   12.597 -0.4339600 21.17490 
1 1 1   -7    8    2 o  204.809   14.484   54.911   7.6344   0.0000   0.0000   54.911   7.6344  ?   ?   204.809   14.484 0.000000 14.48400 
1 1 1   -7    8    3 o  375.320   8.8890  182.829   8.6418  181.800   18.911  183.101   9.7156  372.217   19.684  375.494   9.9888 -3.276367 22.07332 
1 1 1   -7    8    4 o  320.739   10.863  133.641   9.0248  151.600   16.989  126.582   10.652  339.952   19.374  311.929   13.183 28.02325 23.43367 
1 1 1   -7    8    5 o  458.637   19.369  274.900   23.010  274.900   23.010   0.0000   0.0000  458.637   19.369  ?   ?  0.000000 19.36872 
1 1 1   -7    8    6 o  348.530   10.609  157.714   9.5780  161.000   18.393  156.492   11.219  350.415   20.351  347.013   12.482 3.401733 23.87402 
1 1 1   -7    8    7 o  333.698   9.0096  144.455   7.7877  142.474   11.150  146.341   10.882  331.113   13.000  335.618   12.518 -4.504669 18.04667 
1 1 1   -7    8    8 o  295.710   9.5042  113.434   7.2800  114.843   10.537  112.148   10.070  297.286   13.684  293.808   13.231 3.477570 19.03443 
1 1 1   -7    8    9 o   98.805   17.265   13.069   4.2578   21.719   6.3462   5.9875   5.7419  127.629   19.841   71.778   25.081 55.85096 31.97956 
1 1 1   -7    8   10 o  396.880   9.2368  204.237   9.4958  209.411   13.647  199.381   13.221  401.642   13.117  391.912   13.024 9.730164 18.48461 
1 1 1   -7    8   11 o  566.153   9.5363  415.586   13.985  406.659   19.844  424.394   19.712  559.717   13.687  571.827   13.308 -12.10962 19.09047 
1 1 1   -7    8   12 o  690.069   10.095  617.442   18.045  606.631   25.460  628.352   25.578  683.605   14.378  695.756   14.192 -12.15088 20.20301 
1 1 1   -7    8   13 o  612.005   11.146  485.733   17.670  483.000   29.947  487.192   21.886  609.527   18.968  612.712   13.790 -3.184326 23.45067 
1 1 1   -7    8   14 o  173.136   17.289   39.328   7.6499   41.540   10.836   37.130   10.801  176.932   24.285  166.826   25.830 10.10626 35.45308 
1 1 1   -7    8   15 o  312.871   11.676  126.959   9.4625  133.881   13.620  120.500   13.156  320.647   16.454  304.124   16.765 16.52319 23.49028 
1 1 1   -7    8   16 o  418.092   17.397  227.126   18.841  221.300   27.070  232.600   26.239  411.153   25.544  421.797   24.116 -10.64459 35.12924 
1 1 1   -7    8   17 o  224.226   15.776   65.622   9.1047   54.966   10.780   92.140   17.005  204.488   20.634  264.609   25.111 -60.12115 32.50107 
1 1 1   -7    8   18 o  423.790   12.600  233.064   13.832  254.396   17.079  192.400   23.580  442.587   14.898  383.351   23.865 59.23630 28.13331 
1 1 1   -7    8   19 o  905.069   11.680  1062.88   27.383  1032.29   38.114  1095.51   39.367  891.133   16.512  918.006   16.555 -26.87317 23.38210 
1 1 1   -7    8   20 o  1090.19   12.779  1543.04   36.088  1543.08   51.341  1543.00   50.736  1088.85   18.203  1088.88   17.988 -0.3344727E-01 25.59161 
1 1 1   -7    8   21 o  672.279   10.732  586.463   18.689  585.631   26.692  587.263   26.176  671.138   15.354  672.127   15.035 -0.9882202 21.48937 
1 1 1   -7    8   22 o  400.528   10.635  208.202   11.034  199.338   15.199  218.078   16.043  391.509   14.988  409.483   15.125 -17.97400 21.29300 
1 1 1   -7    8   23 o   99.456   28.047   13.371   7.5377   8.2484   10.240   19.429   11.136   89.294   33.183  119.562   34.222 -30.26746 47.66778 
1 1 1   -7    8   24 o  385.714   11.575  193.292   11.565  186.700   16.174  200.188   16.543  378.468   16.498  391.932   16.295 -13.46393 23.18862 
1 1 1   -7    8   25 o  324.693   13.551  137.223   11.397  130.981   14.372  147.800   18.708  316.203   17.617  335.010   21.675 -18.80670 27.93130 
1 1 1   -7    8   26 o   96.141   37.420   8.3332   13.403   6.7720   20.214   9.5580   17.904  108.318   44.624  107.758   42.848 0.5600281 61.86483 
1 1 1   -7    8   27 o  117.872   25.540   19.122   7.5728   23.075   10.431   14.717   11.012  128.573   31.555  105.762   34.752 22.81028 46.94091 
1 1 1   -7    8   28 o  150.376   17.923   30.125   6.8440   23.778   9.6936   36.433   9.6641  130.487   29.386  164.127   23.394 -33.63976 37.56071 
1 1 1   -7    8   29 o  313.726   12.064  128.502   9.8041  134.104   14.195  123.393   13.557  318.718   17.259  305.710   17.190 13.00745 24.35869 
1 1 1   -7    8   30 o   62.391   26.368   0.9221   7.3304 -10.0807   9.7075   15.520   11.182   55.075   26.000  106.393   35.022 -51.31841 43.61842 
1 1 1   -7    8   31 o  136.388   23.179   25.648   7.8957   25.557   9.6527   25.830   13.726  134.251   28.631  132.316   38.027 1.935562 47.60077 
1 1 1   -7    8   32 o  162.904   18.545   35.755   7.6860   31.946   10.866   39.571   10.874  149.816   29.048  168.667   25.701 -18.85130 38.78541 
1 1 1   -7    8   33 o  155.316   18.498   32.648   7.2956   29.179   10.364   36.056   10.272  142.435   29.073  160.393   25.584 -17.95731 38.72727 
1 1 1   -7    8   34 o   53.357   23.694  -1.6048   6.5455   0.0283   9.4601  -3.1046   9.0658   67.043   29.165   60.699   27.348 6.343391 39.98114 
1 1 1   -7    8   35 o  236.151   22.789   77.434   13.767  118.700   20.200   41.640   18.813  288.730   27.334  157.896   44.231 130.8339 51.99566 
1 1 1   -7    8   36 o  154.007   17.514   32.409   6.8627   29.555   9.9965   34.953   9.4382  141.374   28.285  156.618   24.032 -15.24324 37.11609 
1 1 1   -7    8   37 o   97.646   25.877   14.155   6.6502   15.395   8.6575   12.370   10.387  100.374   30.558   92.529   33.579 7.845238 45.40200 
1 1 1   -7    8   38 o   72.293   26.821   6.6915   6.6846   8.4217   10.001   5.2942   8.9873   82.178   32.230   73.567   29.966 8.610634 44.00834 
1 1 1   -7    8   39 o   77.212   27.998   8.2622   7.2184   15.266   10.463   1.9002   9.9717   97.956   33.877   68.974   29.974 28.98203 45.23384 
1 1 1   -7    8   40 o   67.599   26.532   5.2846   6.7824   0.1256   9.6263   10.370   9.5576   64.573   28.701   84.435   31.918 -19.86166 42.92427 
1 1 1   -7    8   41 o  123.809   23.727   23.058   7.3324   22.321   9.4429   24.176   11.637  116.244   30.849  116.944   35.388 -0.6993332 46.94664 
1 1 1   -7    8   42 o   56.358   24.860   0.4468   7.0898   5.2536   9.1644  -6.7179   11.189   70.599   29.641   58.662   27.761 11.93721 40.61075 
1 1 1   -7    8   43 o   53.631   25.146  -4.5595   8.8104 -10.3500   12.082   2.0163   12.875   56.805   27.403   70.925   32.210 -14.11964 42.28968 
1 1 1   -7    8   44 o   89.460   34.134   15.089   10.995   58.650   22.413   1.2833   12.618  145.622   49.610   68.410   31.377 77.21247 58.69980 
1 1 1   -7    8   45 o  106.477   30.964   20.930   9.0522   22.097   12.671   19.714   12.937  100.825   37.012   95.504   36.878 5.320732 52.24810 
1 1 1   -7    8   46 o   51.016   24.176  -4.5859   8.5441 -12.2511   12.484   2.1681   11.719   53.964   26.437   65.635   30.154 -11.67162 40.10198 
1 1 1   -7    8   47 o   53.481   25.012  -1.9395   8.6217  -5.2119   13.098   0.5624   11.453   59.117   28.522   61.852   28.894 -2.735340 40.60003 
1 1 1   -7    9    1 o  810.269   12.081  853.221   25.355  854.300   43.671  852.672   31.142  808.057   20.864  809.303   14.855 -1.246033 25.61226 
1 1 1   -7    9    2 o  303.007   9.5263  119.161   7.4770  117.101   10.712  121.118   10.442  300.033   13.783  305.191   13.208 -5.157928 19.08990 
1 1 1   -7    9    3 o  311.908   14.196  126.564   11.470  138.000   16.854  116.700   15.653  324.353   20.160  298.125   20.392 26.22806 28.67561 
1 1 1   -7    9    4 o  754.569   11.834  739.613   23.131  773.700   42.132  724.906   27.675  769.270   21.144  746.518   14.312 22.75195 25.53213 
1 1 1   -7    9    5 o  707.635   10.031  649.846   18.387  686.800   39.239  639.448   20.814  725.056   20.893  701.738   11.450 23.31781 23.82471 
1 1 1   -7    9    6 o  444.497   9.3225  256.302   10.734  254.000   22.827  256.956   12.162  441.232   19.972  444.964   10.552 -3.731567 22.58866 
1 1 1   -7    9    7 o  536.301   11.233  373.281   15.605  363.900   27.749  377.620   18.872  528.288   20.278  539.161   13.513 -10.87231 24.36781 
1 1 1   -7    9    8 o  114.800   22.191   17.768   6.3600   17.768   6.3600   0.0000   0.0000  114.800   22.191  ?   ?  0.000000 22.19071 
1 1 1   -7    9    9 f  637.097   9.7898  526.352   16.156  542.596   23.375  511.495   22.355  646.434   13.960  627.658   13.750 18.77600 19.59414 
1 1 1   -7    9   10 o  528.584   9.4771  362.255   12.976  354.819   18.546  369.385   18.161  522.825   13.695  533.496   13.142 -10.67065 18.98052 
1 1 1   -7    9   11 o  830.082   10.864  893.586   23.358  922.565   33.891  867.365   32.238  842.855   15.523  817.292   15.228 25.56299 21.74547 
1 1 1   -7    9   12 o  171.235   14.086   38.312   6.1925   34.160   9.6450   41.225   8.0772  160.177   23.984  177.221   17.838 -17.04411 29.89006 
1 1 1   -7    9   13 o  628.327   13.604  512.311   22.141  528.500   31.866  497.200   30.786  637.553   19.296  618.395   19.219 19.15796 27.23428 
1 1 1   -7    9   14 o  237.056   13.369   73.149   8.1758   76.616   11.985   70.132   11.181  241.990   19.281  231.516   18.807 10.47412 26.93419 
1 1 1   -7    9   15 o  683.544   16.229  606.853   28.734  591.800   41.434  620.800   39.883  673.928   23.735  690.487   22.299 -16.55933 32.56665 
1 1 1   -7    9   16 o  393.094   10.708  200.392   10.904  188.124   15.790  211.574   15.075  380.564   16.018  403.699   14.416 -23.13483 21.54993 
1 1 1   -7    9   17 o  476.834   10.391  294.870   12.834  300.357   18.609  289.892   17.723  480.910   14.939  472.497   14.481 8.413574 20.80533 
1 1 1   -7    9   18 o  409.148   12.336  217.251   13.074  212.729   16.102  226.000   22.395  404.641   15.363  416.532   20.757 -11.89145 25.82326 
1 1 1   -7    9   19 o  791.813   22.846  818.200   46.858   0.0000   0.0000  818.200   46.858  ?   ?   791.813   22.846 0.000000 22.84581 
1 1 1   -7    9   20 o  569.510   12.141  421.064   17.910  418.561   21.409  426.900   32.690  567.521   14.563  571.891   22.067 -4.370056 26.43984 
1 1 1   -7    9   21 o  220.673   14.297   63.561   8.1284   78.199   11.822   50.436   11.194  244.239   18.832  195.193   22.556 49.04648 29.38362 
1 1 1   -7    9   22 o  198.212   16.278   51.491   8.2837   48.334   11.705   54.659   11.725  190.591   24.258  203.178   22.665 -12.58675 33.19906 
1 1 1   -7    9   23 o  526.570   10.796  360.052   14.725  339.916   20.570  381.215   21.088  510.922   15.543  541.162   15.044 -30.24008 21.63080 
1 1 1   -7    9   24 o  310.230   15.876  125.775   12.715  118.600   17.448  133.900   18.568  299.830   22.633  318.680   22.641 -18.84988 32.01340 
1 1 1   -7    9   25 o   93.998   30.534   11.443   8.5100   12.587   9.6768   7.5370   17.876   98.887   32.582  104.761   42.413 -5.873940 53.48321 
1 1 1   -7    9   26 o   68.451   27.554   3.0254   7.4982   6.7473   10.478  -0.8807   10.735   85.768   33.169   72.069   31.209 13.69985 45.54335 
1 1 1   -7    9   27 o  464.008   11.151  280.326   13.403  275.051   18.831  285.742   19.080  458.389   15.860  467.242   15.764 -8.853241 22.36166 
1 1 1   -7    9   28 o  147.979   19.773   29.404   7.3897   40.676   10.850   19.651   10.092  172.892   24.949  118.104   32.134 54.78796 40.68221 
1 1 1   -7    9   29 o  383.169   12.836  192.039   12.740  182.984   15.746  209.200   21.677  372.905   16.301  396.052   21.207 -23.14719 26.74848 
1 1 1   -7    9   30 o  188.590   18.465   47.568   8.9044   53.177   11.596   39.510   13.900  197.824   23.063  165.858   33.508 31.96603 40.67789 
1 1 1   -7    9   31 o  181.125   16.503   43.724   7.6578   38.544   10.533   49.532   11.153  166.872   25.149  190.437   23.081 -23.56551 34.13512 
1 1 1   -7    9   32 o  130.310   22.912   23.585   7.4515   25.729   10.495   21.405   10.582  133.075   31.019  120.808   32.918 12.26646 45.23014 
1 1 1   -7    9   33 o  242.469   12.936   77.624   8.0954   88.855   11.871   67.859   11.068  257.269   17.925  224.055   19.259 33.21411 26.30989 
1 1 1   -7    9   34 o  282.421   15.507  106.442   11.301   98.310   14.599  118.600   17.851  267.983   21.204  292.509   23.766 -24.52612 31.85028 
1 1 1   -7    9   35 o  109.685   29.583   17.993   8.5978   5.0160   20.354   20.811   9.4857   96.465   42.351  117.430   30.802 -20.96556 52.36775 
1 1 1   -7    9   36 o  145.216   21.661   29.733   7.8987   29.726   11.210   29.739   11.131  139.091   31.806  139.269   31.583 -0.1781311 44.82311 
1 1 1   -7    9   37 o  147.966   19.331   30.545   7.2322   29.376   10.913   31.460   9.6570  137.558   31.329  145.866   26.536 -8.307434 41.05725 
1 1 1   -7    9   38 o  109.343   26.288   18.048   7.3539   13.134   10.268   23.223   10.537   93.039   33.440  120.039   32.908 -27.00028 46.91600 
1 1 1   -7    9   39 o   87.269   27.932   11.622   7.1405  -0.8155   10.863   21.084   9.4749   66.827   30.038  114.527   31.125 -47.70039 43.25587 
1 1 1   -7    9   40 o   97.650   29.322   15.273   8.0116   19.122   11.766   11.945   10.940  105.034   35.944   88.517   33.983 16.51732 49.46469 
1 1 1   -7    9   41 o  139.388   23.300   29.128   8.1158   45.690   12.739   17.814   10.529  167.808   30.428  101.010   34.005 66.79782 45.63109 
1 1 1   -7    9   42 o   67.754   28.698   4.4507   8.7135   22.809   12.655 -12.0974   12.015  108.359   37.270   55.659   26.966 52.69969 46.00228 
1 1 1   -7    9   43 o   55.233   27.420 -22.5500   15.045 -22.5500   15.045   0.0000   0.0000   55.233   27.420  ?   ?  0.000000 27.42012 
1 1 1   -7    9   44 o   42.359   21.018 -15.9757   8.7956  -8.6136   12.266 -23.7695   12.620   57.525   27.715   48.431   24.212 9.093712 36.80134 
1 1 1   -7    9   45 o   41.010   20.222 -12.4007   7.6966 -11.9674   10.988 -12.8179   10.784   51.142   25.001   49.983   24.504 1.158829 35.00735 
1 1 1   -7    9   46 o   50.664   24.055  -4.5939   8.5367 -10.3423   11.615   2.1581   12.589   53.039   25.880   66.155   30.697 -13.11582 40.15096 
1 1 1   -7    9   47 o   35.460   17.940 -21.9296   8.1008 -19.2382   11.282 -24.7942   11.639   45.660   22.836   43.733   22.049 1.927166 31.74358 
1 1 1   -7   10    1 o  265.448   15.757   92.010   10.786  119.700   16.711   72.240   14.120  301.938   21.507  233.776   23.643 68.16237 31.96192 
1 1 1   -7   10    2 o  879.455   15.858  1006.47   36.125  1009.00   51.432  1004.00   50.753  878.428   22.604  876.339   22.358 2.089050 31.79320 
1 1 1   -7   10    3 o  490.540   13.413  312.667   17.043  312.667   17.043   0.0000   0.0000  490.540   13.413  ?   ?  0.000000 13.41306 
1 1 1   -7   10    4 o  504.301   9.3066  329.873   12.157  341.600   26.066  326.612   13.743  511.871   19.659  501.694   10.576 10.17691 22.32323 
1 1 1   -7   10    5 o  622.133   9.7692  502.056   15.743  454.800   31.387  517.942   18.198  590.590   20.517  631.756   11.120 -41.16595 23.33672 
1 1 1   -7   10    6 o  116.779   18.933   18.205   5.5311   0.0000   0.0000   18.205   5.5311  ?   ?   116.779   18.933 0.000000 18.93313 
1 1 1   -7   10    7 o  284.571   10.288  105.034   7.5838  110.100   17.760  103.904   8.3869  289.473   23.899  282.988   11.441 6.485199 26.49675 
1 1 1   -7   10    8 o  292.146   10.310  110.689   7.8022  122.200   18.495  108.197   8.6054  305.203   23.578  288.791   11.504 16.41226 26.23457 
1 1 1   -7   10    9 o  469.634   11.115  286.070   13.522  284.200   25.701  286.785   15.900  467.198   21.238  470.092   13.058 -2.893555 24.93071 
1 1 1   -7   10   10 o  417.431   9.6093  225.912   10.390  237.203   15.146  215.876   14.280  427.509   13.678  407.847   13.517 19.66138 19.22996 
1 1 1   -7   10   11 o  579.324   11.033  435.247   16.556  450.900   28.197  427.011   20.453  588.949   18.483  573.606   13.765 15.34265 23.04570 
1 1 1   -7   10   12 o  947.519   16.165  1166.02   39.675  1212.00   57.777  1125.00   54.577  964.615   23.124  929.452   22.669 35.16302 32.38171 
1 1 1   -7   10   13 o  510.113   10.325  337.402   13.643  330.317   19.536  344.147   19.060  504.414   14.952  514.919   14.290 -10.50455 20.68273 
1 1 1   -7   10   14 o  357.504   11.566  165.774   10.711  154.651   15.522  175.884   14.798  344.542   17.449  368.027   15.523 -23.48538 23.35483 
1 1 1   -7   10   15 o  548.463   12.383  390.285   17.592  380.100   33.640  394.119   20.640  539.940   24.052  550.974   14.462 -11.03363 28.06532 
1 1 1   -7   10   16 o  334.151   11.006  144.829   9.5263  147.628   14.085  142.469   12.933  337.075   16.132  331.200   15.075 5.874939 22.07924 
1 1 1   -7   10   17 o  170.087   15.493   37.896   6.7512   44.755   9.7459   31.569   9.3609  184.210   20.788  153.682   24.325 30.52800 31.99771 
1 1 1   -7   10   18 o  527.953   10.611  361.593   14.511  378.972   21.157  346.158   19.939  540.036   15.125  516.151   14.913 23.88513 21.24059 
1 1 1   -7   10   19 o  468.452   12.809  284.957   15.542  277.828   18.952  299.600   27.161  462.239   15.828  479.145   21.884 -16.90619 27.00834 
1 1 1   -7   10   20 o  1146.16   15.477  1708.55   45.948  1724.18   56.496  1678.00   78.971  1150.19   18.963  1131.08   26.954 19.10999 32.95603 
1 1 1   -7   10   21 o  507.516   12.841  334.665   16.881  343.627   20.502  315.800   29.745  513.906   15.402  491.190   23.379 22.71619 27.99603 
1 1 1   -7   10   22 o  683.448   10.902  606.532   19.299  596.981   27.698  615.545   26.907  677.087   15.792  687.693   15.105 -10.60529 21.85301 
1 1 1   -7   10   23 o  389.297   12.673  197.060   12.779  198.000   20.977  196.506   16.115  388.358   20.930  388.291   16.022 0.6701660E-01 26.35838 
1 1 1   -7   10   24 o  227.775   15.114   67.921   8.8666   63.048   11.392   75.410   14.122  218.439   20.368  238.421   23.158 -19.98196 30.84116 
1 1 1   -7   10   25 o   71.749   32.350  -5.8102   12.714 -15.1900   19.064   1.7050   17.064   80.974   37.642   94.157   40.033 -13.18225 54.95060 
1 1 1   -7   10   26 o   74.699   27.099   6.2427   6.7636   9.4014   8.7018   1.4219   10.750   88.075   30.870   75.855   31.988 12.22002 44.45452 
1 1 1   -7   10   27 o  111.414   33.467   17.201   10.436   17.201   10.436   0.0000   0.0000  111.414   33.467  ?   ?  0.000000 33.46703 
1 1 1   -7   10   28 o   57.523   25.266  -1.4432   7.2521  -0.0065   9.6686  -3.2910   10.965   69.210   29.795   68.442   30.513 0.7674103 42.64714 
1 1 1   -7   10   29 o   66.749   26.353   3.6886   6.7275   8.5839   8.0698  -7.4660   12.182   83.614   29.688   66.807   30.711 16.80688 42.71480 
1 1 1   -7   10   30 o  275.719   13.354   99.770   9.5377  116.656   13.632   83.580   13.349  296.113   17.857  249.226   20.869 46.88770 27.46630 
1 1 1   -7   10   31 o   96.053   25.261   13.036   6.3689   10.905   9.7357   14.630   8.4206   91.890   32.611  101.367   29.975 -9.477699 44.29390 
1 1 1   -7   10   32 f  267.704   12.927   94.280   8.9642   86.973   13.021  100.865   12.360  253.711   19.974  274.638   17.465 -20.92621 26.53275 
1 1 1   -7   10   33 o   59.997   24.729   2.0886   6.2113   3.5260   8.3237   0.2824   9.3305   70.242   28.751   67.057   29.068 3.185448 40.88454 
1 1 1   -7   10   34 o  347.867   17.171  162.453   15.473  162.453   15.473   0.0000   0.0000  347.867   17.171  ?   ?  0.000000 17.17145 
1 1 1   -7   10   35 f  162.954   19.809   36.742   8.1894   21.718   11.662   51.360   11.503  117.465   35.400  190.476   23.836 -73.01087 42.67659 
1 1 1   -7   10   36 o  143.373   28.531   30.815   10.223   30.815   10.223   0.0000   0.0000  143.373   28.531  ?   ?  0.000000 28.53121 
1 1 1   -7   10   37 o  117.865   25.952   20.752   7.7087   36.444   10.887   4.9716   10.917  155.681   28.027   76.993   32.339 78.68845 42.79439 
1 1 1   -7   10   38 o   78.968   27.390   8.9827   6.8417   10.103   10.585   8.1789   8.9661   85.797   33.294   79.361   30.685 6.436211 45.27763 
1 1 1   -7   10   39 o  126.830   24.353   24.022   7.7097   30.196   11.467   18.928   10.415  135.417   32.993  106.431   33.700 28.98576 47.16196 
1 1 1   -7   10   40 o   48.101   22.369  -4.1081   6.7423   3.8815   10.174 -10.3648   9.0032   71.202   30.607   49.141   23.693 22.06028 38.70624 
1 1 1   -7   10   41 o   60.553   26.093   2.0788   7.4292  -0.5054   9.7884   5.5899   11.410   62.504   28.265   75.025   32.333 -12.52076 42.94538 
1 1 1   -7   10   42 o   65.901   27.294   4.8056   7.6172   2.1130   12.627   6.3459   9.5506   70.712   32.028   72.266   30.296 -1.554802 44.08650 
1 1 1   -7   10   43 o  106.770   45.771   32.450   22.642   32.450   22.642   0.0000   0.0000  106.770   45.771  ?   ?  0.000000 45.77128 
1 1 1   -7   10   44 o  166.430   21.006   42.163   8.8541   44.347   12.889   40.212   12.184  154.799   33.144  147.731   32.704 7.067902 46.56224 
1 1 1   -7   10   45 o   43.516   21.342 -11.1936   8.2029 -19.2017   10.875  -0.6215   12.495   45.740   22.805   63.857   29.942 -18.11753 37.63798 
1 1 1   -7   10   46 o   52.081   24.261  -1.8957   7.9857  -0.8845   11.405  -2.8681   11.185   60.450   28.429   58.053   27.554 2.397327 39.59078 
1 1 1   -7   10   47 o   57.115   25.806   2.1372   8.1399  -2.4044   11.195   7.2321   11.857   57.065   27.221   68.488   31.027 -11.42271 41.27552 
1 1 1   -7   11    1 o  972.441   11.676  1227.27   29.411  1263.48   42.664  1194.48   40.600  985.621   16.711  958.417   16.354 27.20441 23.38174 
1 1 1   -7   11    2 o  166.281   13.844   36.159   5.9089   31.076   8.5537   40.799   8.1721  152.771   22.270  176.130   18.173 -23.35919 28.74442 
1 1 1   -7   11    3 o  557.755   13.873  404.038   20.044  404.038   20.044   0.0000   0.0000  557.755   13.873  ?   ?  0.000000 13.87350 
1 1 1   -7   11    4 f  327.454   11.893  139.148   10.087  141.300   18.805  138.278   11.953  328.434   22.235  326.297   14.142 2.137451 26.35082 
1 1 1   -7   11    5 o  896.763   11.212  1043.28   26.045  1113.00   55.851  1023.91   29.442  923.673   23.343  888.173   12.797 35.50024 26.62099 
1 1 1   -7   11    6 o  365.052   11.808  172.900   11.166  187.400   20.876  167.090   13.214  378.700   21.369  358.724   14.221 19.97635 25.66846 
1 1 1   -7   11    7 o  420.991   11.757  229.926   12.821  251.200   24.106  221.534   15.140  439.217   21.189  413.083   14.150 26.13373 25.47882 
1 1 1   -7   11    8 o  830.208   10.988  893.924   23.630  871.200   48.179  901.122   27.116  817.715   22.746  833.365   12.561 -15.64984 25.98380 
1 1 1   -7   11    9 o  315.471   10.487  129.055   8.5696  104.400   19.472  134.977   9.5435  281.500   27.037  322.591   11.421 -41.09155 29.35009 
1 1 1   -7   11   10 o  868.604   21.703  982.200   48.830   0.0000   0.0000  982.200   48.830  ?   ?   868.604   21.703 0.000000 21.70280 
1 1 1   -7   11   11 o  556.127   11.561  401.142   16.654  395.762   21.114  410.000   27.092  552.132   14.763  561.583   18.624 -9.451477 23.76558 
1 1 1   -7   11   12 o  662.203   10.774  568.660   18.480  530.920   25.942  607.545   26.332  639.400   15.663  684.078   14.860 -44.67737 21.59066 
1 1 1   -7   11   13 o  608.481   10.742  480.150   16.931  468.034   24.190  491.784   23.705  600.328   15.556  615.444   14.870 -15.11566 21.51968 
1 1 1   -7   11   14 o  497.459   16.436  321.527   21.179  332.800   31.663  312.400   28.491  505.169   24.197  489.673   22.462 15.49539 33.01617 
1 1 1   -7   11   15 o  427.722   10.361  237.263   11.480  234.754   16.688  239.516   15.816  425.127   15.154  429.492   14.217 -4.364990 20.77881 
1 1 1   -7   11   16 o  423.315   10.625  232.440   11.651  245.970   17.145  220.832   15.881  435.112   15.212  412.308   14.870 22.80417 21.27234 
1 1 1   -7   11   17 o  192.894   14.694   48.621   7.2869   51.505   10.857   46.257   9.8298  197.597   21.562  187.295   20.602 10.30185 29.82194 
1 1 1   -7   11   18 o  552.767   10.372  396.414   14.851  382.111   20.640  411.768   21.386  542.236   14.695  562.889   14.667 -20.65302 20.76237 
1 1 1   -7   11   19 o  409.433   10.668  217.545   11.314  230.743   16.810  206.614   15.299  421.217   15.407  398.647   14.815 22.56943 21.37453 
1 1 1   -7   11   20 o  516.145   23.776  348.800   31.788   0.0000   0.0000  348.800   31.788  ?   ?   516.145   23.776 0.000000 23.77604 
1 1 1   -7   11   21 o  152.996   25.841   31.560   9.8762   36.046   11.578   19.580   18.922  163.174   28.427  127.868   45.454 35.30595 53.61103 
1 1 1   -7   11   22 o   63.047   27.412  -1.2465   8.3475  -6.7309   10.635   7.5540   13.472   63.573   29.026   95.333   37.401 -31.76042 47.34327 
1 1 1   -7   11   23 o  464.223   14.150  280.646   17.015  278.700   23.745  282.700   24.393  461.385   19.868  464.582   20.270 -3.197235 28.38342 
1 1 1   -7   11   24 o  461.536   12.871  277.342   15.388  280.255   18.499  270.800   27.722  463.427   15.411  452.636   23.727 10.79178 28.29255 
1 1 1   -7   11   25 o   85.377   31.424   7.9976   9.1424  -3.6190   20.416   10.911   10.225   95.457   42.142   94.934   33.449 0.5230637 53.80350 
1 1 1   -7   11   26 o  157.240   20.635   33.157   8.2018   36.927   11.469   29.211   11.733  163.926   28.018  144.237   32.217 19.68883 42.69601 
1 1 1   -7   11   27 o  123.495   26.962   21.252   8.3831   24.445   10.394   15.310   14.180  131.578   31.006  110.003   39.322 21.57475 50.07549 
1 1 1   -7   11   28 o   73.640   28.355   5.2487   7.6311   2.3836   9.8185   9.6200   12.128   73.851   30.820   94.123   35.864 -20.27177 47.28727 
1 1 1   -7   11   29 o   84.951   26.267   9.8605   6.3671   12.080   8.2548   6.6002   10.004   93.907   30.030   82.655   32.286 11.25236 44.09281 
1 1 1   -7   11   30 o  147.821   20.506   29.751   7.6404   37.220   10.663   21.870   10.953  163.417   26.065  122.388   33.551 41.02966 42.48581 
1 1 1   -7   11   31 o  114.302   26.201   18.608   7.5916   18.742   10.634   18.469   10.841  113.191   33.735  112.440   34.187 0.7509995 48.02875 
1 1 1   -7   11   32 o  148.136   17.595   29.689   6.6195   30.849   9.3621   28.528   9.3608  147.856   25.357  141.543   26.506 6.313721 36.68159 
1 1 1   -7   11   33 o  137.755   25.407   27.084   8.7318   22.750   11.449   33.110   13.500  122.101   34.613  146.708   35.833 -24.60669 49.81990 
1 1 1   -7   11   34 o  165.361   30.290   40.596   12.496   56.430   22.167   33.220   15.129  180.286   46.990  142.984   39.527 37.30290 61.40404 
1 1 1   -7   11   35 o  223.581   21.221   69.696   12.143   0.0000   0.0000   69.696   12.143  ?   ?   223.581   21.221 0.000000 21.22125 
1 1 1   -7   11   36 o   72.642   27.693   6.3956   7.2334   9.0888   10.099   3.5582   10.366   84.025   32.544   73.535   31.232 10.48962 45.10575 
1 1 1   -7   11   37 o  147.218   19.071   30.386   7.1015   27.319   10.395   33.071   9.7248  131.675   30.992  149.019   26.147 -17.34425 40.54823 
1 1 1   -7   11   38 o  142.201   20.365   28.854   7.2870   23.438   9.7133   35.825   11.021  120.892   30.901  152.061   29.039 -31.16824 42.40452 
1 1 1   -7   11   39 f  100.667   28.053   16.060   7.5882   20.587   10.498   11.107   10.980  110.050   33.680   86.644   33.830 23.40511 47.73626 
1 1 1   -7   11   40 o  137.946   25.129   29.159   8.6483   27.972   12.354   30.300   12.111  124.211   36.187  130.926   35.026 -6.714523 50.36169 
1 1 1   -7   11   41 o  147.588   24.098   33.434   8.8945   34.967   13.338   32.205   11.936  136.358   36.876  133.945   34.263 2.413361 50.33672 
1 1 1   -7   11   42 o   68.129   29.689   4.1154   9.8391   29.640   16.130 -11.0090   12.417  113.496   41.746   56.672   27.446 56.82457 49.95971 
1 1 1   -7   11   43 o   41.979   21.156 -26.2648   10.653  -5.0170   19.083 -35.8841   12.840   71.132   34.346   43.553   22.094 27.57882 40.83878 
1 1 1   -7   11   44 o   68.093   28.443   6.3731   8.3733   1.3696   11.982   11.149   11.706   65.714   30.300   79.215   33.392 -13.50074 45.08986 
1 1 1   -7   11   45 o   57.984   26.490   0.5467   8.8745  -1.0491   12.547   2.1444   12.554   62.788   29.616   66.082   30.661 -3.293423 42.62861 
1 1 1   -7   11   46 f   50.553   24.106  -4.4682   8.7618  -8.4471   12.851  -1.0120   11.977   55.755   27.209   60.464   28.645 -4.708885 39.50786 
1 1 1   -7   12    1 o  205.546   12.236   55.016   6.4855   61.916   9.2852   48.444   9.0627  217.640   16.595  192.115   18.438 25.52489 24.80658 
1 1 1   -7   12    2 o  607.317   13.933  478.865   21.919   0.0000   0.0000  478.865   21.919  ?   ?   607.317   13.933 0.000000 13.93302 
1 1 1   -7   12    3 o  698.570   10.290  632.865   18.620  595.051   25.495  676.089   27.258  676.937   14.540  721.555   14.584 -44.61841 20.59333 
1 1 1   -7   12    4 o  314.630   10.762  128.390   8.7708  127.730   12.755  128.982   12.080  313.174   15.773  315.157   14.798 -1.982544 21.62823 
1 1 1   -7   12    5 o  482.568   11.634  302.092   14.543  301.200   26.455  302.478   17.409  480.950   21.235  482.707   13.923 -1.757202 25.39279 
1 1 1   -7   12    6 o  558.061   9.8293  403.805   14.209  411.900   30.708  401.599   16.028  562.492   21.076  556.447   11.120 6.044250 23.82965 
1 1 1   -7   12    7 o  173.262   13.864   39.214   6.1702   68.780   16.801   34.604   6.6338  227.539   29.178  162.445   15.972 65.09372 33.26348 
1 1 1   -7   12    8 o  533.364   11.368  368.975   15.706   0.0000   0.0000  368.975   15.706  ?   ?   533.364   11.368 0.000000 11.36846 
1 1 1   -7   12    9 o  459.587   13.739  274.137   16.355   0.0000   0.0000  274.137   16.355  ?   ?   459.587   13.739 0.000000 13.73853 
1 1 1   -7   12   10 o  803.062   11.322  836.445   23.552  814.400   47.829  843.502   27.060  790.578   23.356  806.265   12.957 -15.68689 26.70924 
1 1 1   -7   12   11 o  596.914   11.238  462.128   17.376  437.400   36.674  469.286   19.731  579.188   24.445  601.403   12.666 -22.21515 27.53171 
1 1 1   -7   12   12 o  676.810   12.927  594.425   22.663  526.900   40.600  624.987   27.314  635.583   24.661  693.733   15.200 -58.14996 28.96878 
1 1 1   -7   12   13 o  527.814   16.381  361.998   22.397  351.500   32.769  371.200   30.681  519.074   24.372  533.751   22.191 -14.67706 32.96095 
1 1 1   -7   12   14 o  237.433   12.462   73.361   7.6375   81.891   10.922   65.200   10.684  250.419   16.938  223.096   18.659 27.32378 25.20024 
1 1 1   -7   12   15 o  116.264   22.766   18.235   6.6108   17.646   9.5597   18.774   9.1518  114.164   31.363  117.440   29.981 -3.275940 43.38806 
1 1 1   -7   12   16 o  548.693   10.302  390.544   14.641  397.558   20.825  383.688   20.589  553.164   14.534  543.418   14.627 9.745667 20.61983 
1 1 1   -7   12   17 f  543.234   10.489  382.885   14.760  374.684   21.466  390.240   20.327  536.827   15.437  548.004   14.320 -11.17761 21.05651 
1 1 1   -7   12   18 o  521.502   10.821  352.965   14.618  357.736   21.003  348.482   20.358  524.451   15.460  517.662   15.182 6.788635 21.66864 
1 1 1   -7   12   19 o  344.297   11.164  153.900   9.9566  147.839   14.405  159.444   13.778  336.967   16.503  350.085   15.193 -13.11713 22.43203 
1 1 1   -7   12   20 o  287.274   12.851  107.264   9.5630  106.655   13.722  107.839   13.335  285.301   18.671  286.998   18.029 -1.697784 25.95432 
1 1 1   -7   12   21 o  396.056   11.252  203.774   11.543  199.488   16.759  207.643   15.923  391.181   16.540  399.271   15.396 -8.089722 22.59620 
1 1 1   -7   12   22 f  399.743   19.074  209.000   19.751  209.000   19.751   0.0000   0.0000  399.743   19.074  ?   ?  0.000000 19.07441 
1 1 1   -7   12   23 o  427.049   13.740  237.588   15.199  266.529   18.521  177.900   26.598  451.881   15.823  365.057   28.350 86.82440 32.46724 
1 1 1   -7   12   24 o  103.542   37.583   12.493   13.012   15.930   17.921   8.6610   18.922  118.082   43.895  107.964   43.662 10.11861 61.91227 
1 1 1   -7   12   25 o  221.132   19.775   64.886   11.207   64.886   11.207   0.0000   0.0000  221.132   19.775  ?   ?  0.000000 19.77471 
1 1 1   -7   12   26 o  127.907   26.848   22.727   8.6116   12.796   11.159   37.350   13.541  100.345   34.970  162.665   33.259 -62.32083 48.26046 
1 1 1   -7   12   27 o   88.348   29.531   10.216   7.9400   17.772   10.060  -2.2700   12.931  112.172   32.647   75.951   33.535 36.22068 46.80212 
1 1 1   -7   12   28 o  169.764   18.184   38.590   7.8720   42.693   11.446   34.907   10.844  175.880   25.900  158.122   27.472 17.75821 37.75572 
1 1 1   -7   12   29 o  290.353   17.069  112.046   12.782   0.0000   0.0000  112.046   12.782  ?   ?   290.353   17.069 0.000000 17.06950 
1 1 1   -7   12   30 o  175.303   23.257   42.297   10.300   0.0000   0.0000   42.297   10.300  ?   ?   175.303   23.257 0.000000 23.25748 
1 1 1   -7   12   31 o   55.250   24.300  -1.0864   6.7270  -9.3158   9.5620   6.9780   9.4656   54.696   25.816   81.185   31.489 -26.48847 40.71934 
1 1 1   -7   12   32 o  165.378   24.918   38.530   10.343   38.530   10.343   0.0000   0.0000  165.378   24.918  ?   ?  0.000000 24.91817 
1 1 1   -7   12   33 o   78.022   27.468   8.0471   6.8937   15.299   9.7579   0.8212   9.7404  101.484   32.671   68.621   29.722 32.86226 44.16790 
1 1 1   -7   12   34 o  139.114   28.047   28.676   9.7577   28.320   18.926   28.804   11.388  127.971   45.462  136.540   32.641 -8.568878 55.96652 
1 1 1   -7   12   35 o   80.013   27.836   8.9737   7.0691   14.570   9.5041   2.0436   10.576   97.557   32.297   71.696   31.013 25.86138 44.77589 
1 1 1   -7   12   36 o   59.966   23.807   3.4689   5.5190  -4.1095   7.8193   10.992   7.7908   53.110   24.485   86.091   29.250 -32.98127 38.14496 
1 1 1   -7   12   37 o   65.903   26.280   4.5297   6.7527   9.1526   9.1064  -1.1178   10.065   81.646   31.085   64.337   28.917 17.30908 42.45561 
1 1 1   -7   12   38 o   72.720   28.127   6.7430   7.5355   19.409   10.675  -5.8376   10.639  107.124   34.138   59.441   27.794 47.68243 44.02211 
1 1 1   -7   12   39 o  116.720   27.694   21.608   8.2469   29.276   11.816   14.326   11.515  129.852   34.531   92.889   35.054 36.96275 49.20553 
1 1 1   -7   12   40 o  155.782   21.629   35.922   8.4923   47.307   12.600   26.445   11.496  170.518   29.600  120.876   34.820 49.64213 45.70081 
1 1 1   -7   12   41 o   49.892   23.411  -4.5471   7.6610  -5.2721   10.393  -3.6845   11.337   57.203   26.973   61.234   28.651 -4.030853 39.35041 
1 1 1   -7   12   42 o   62.475   28.896  -1.1113   11.024  -1.1113   11.024   0.0000   0.0000   62.475   28.896  ?   ?  0.000000 28.89646 
1 1 1   -7   12   43 o   91.675   31.912   16.105   9.2915   20.160   22.206   15.244   10.230   90.580   41.575   88.352   33.101 2.228600 53.14285 
1 1 1   -7   12   44 o   71.640   29.097   8.3327   8.4425   21.881   11.203  -9.4765   12.844  100.693   35.041   56.605   27.529 44.08856 44.56153 
1 1 1   -7   12   45 o   74.906   29.523   10.388   8.4304   7.6864   12.361   12.738   11.527   71.471   32.091   78.859   33.183 -7.387650 46.16159 
1 1 1   -7   12   46 o   69.382   28.838   8.7093   8.5469   9.1935   12.244   8.2491   11.936   71.131   31.938   69.786   31.417 1.344879 44.79984 
1 1 1   -7   13    1 o  397.293   10.057  204.671   10.350  179.273   14.347  232.233   14.945  371.564   14.906  422.989   13.640 -51.42532 20.20530 
1 1 1   -7   13    2 f  653.460   10.211  553.717   17.283  550.097   24.534  557.284   24.352  650.911   14.551  655.172   14.349 -4.260742 20.43620 
1 1 1   -7   13    3 o  1091.39   12.643  1545.56   35.742  1552.86   50.863  1538.43   50.237  1092.93   17.966  1087.87   17.828 5.060669 25.31021 
1 1 1   -7   13    4 f  710.263   10.572  654.212   19.450  690.879   28.391  621.781   26.701  729.417   15.026  691.995   14.896 37.42175 21.15842 
1 1 1   -7   13    5 o  774.201   10.879  777.351   21.817  778.291   31.237  776.456   30.486  774.119   15.578  773.254   15.220 0.8646240 21.77919 
1 1 1   -7   13    6 o  389.346   13.258  196.726   13.371   0.0000   0.0000  196.726   13.371  ?   ?   389.346   13.258 0.000000 13.25755 
1 1 1   -7   13    7 o  204.353   16.601   54.610   8.7116   0.0000   0.0000   54.610   8.7116  ?   ?   204.353   16.601 0.000000 16.60118 
1 1 1   -7   13    8 o  561.170   10.784  408.399   15.676  365.900   32.775  421.005   17.851  529.804   23.882  569.668   12.097 -39.86469 26.77143 
1 1 1   -7   13    9 o  523.515   13.725  355.730   18.612  418.900   35.753  332.246   21.799  566.783   24.352  505.683   16.642 61.09991 29.49557 
1 1 1   -7   13   10 o  170.815   20.317   38.502   8.8133   31.680   22.181   39.781   9.6040  155.132   49.186  173.422   21.866 -18.28979 53.82681 
1 1 1   -7   13   11 o  834.523   11.575  903.458   25.021  927.400   52.927  896.567   28.394  843.181   24.233  831.132   13.189 12.04852 27.58946 
1 1 1   -7   13   12 o  287.639   16.864  107.913   12.510  106.600   22.935  108.470   14.926  283.349   31.798  287.954   20.138 -4.604248 37.63822 
1 1 1   -7   13   13 o  166.910   47.244   38.190   21.347   38.190   21.347   0.0000   0.0000  166.910   47.244  ?   ?  0.000000 47.24448 
1 1 1   -7   13   14 o  191.656   14.933   48.014   7.3547   43.081   10.727   52.390   10.104  180.168   23.548  199.592   19.804 -19.42386 30.76861 
1 1 1   -7   13   15 f  656.187   15.571  559.772   26.466  559.772   26.466   0.0000   0.0000  656.187   15.571  ?   ?  0.000000 15.57050 
1 1 1   -7   13   16 o  391.700   15.610  199.525   15.838   0.0000   0.0000  199.525   15.838  ?   ?   391.700   15.610 0.000000 15.60956 
1 1 1   -7   13   17 o  130.727   21.597   22.898   7.0579   26.813   10.877   20.049   9.2762  140.032   30.821  121.084   29.782 18.94837 42.85907 
1 1 1   -7   13   18 o  563.604   10.838  412.364   15.823  416.314   22.831  408.712   21.949  565.595   15.584  560.487   15.118 5.108459 21.71200 
1 1 1   -7   13   19 o  318.523   12.053  131.820   9.9444  123.334   13.894  140.735   14.240  307.066   17.540  328.205   16.806 -21.13876 24.29206 
1 1 1   -7   13   20 o  222.650   14.590   64.808   8.3682   73.839   11.671   55.251   12.005  236.962   19.178  203.968   23.132 32.99419 30.04815 
1 1 1   -7   13   21 o  205.868   16.380   55.633   8.6623   59.990   14.147   53.020   10.956  211.684   26.373  199.969   21.489 11.71512 34.01918 
1 1 1   -7   13   22 o  293.319   13.978  112.105   10.620  106.414   14.213  119.300   15.980  284.346   19.412  300.841   20.631 -16.49515 28.32816 
1 1 1   -7   13   23 o   43.868   21.584 -17.7807   8.6117 -22.1454   9.7944  -2.9120   18.078   45.357   22.448   90.645   39.851 -45.28825 45.73869 
1 1 1   -7   13   24 o  340.932   18.732  153.210   16.479  141.500   23.739  164.100   22.893  323.865   28.591  350.371   25.397 -26.50598 38.24202 
1 1 1   -7   13   25 o  202.965   17.048   54.493   8.8799   64.905   11.752   40.640   13.556  220.566   20.816  170.467   31.872 50.09955 38.06776 
1 1 1   -7   13   26 o  384.610   20.024  196.600   19.880   0.0000   0.0000  196.600   19.880  ?   ?   384.610   20.024 0.000000 20.02417 
1 1 1   -7   13   27 o  302.560   12.503  119.824   9.7990  120.585   13.668  119.020   14.056  301.494   17.577  299.262   18.220 2.231873 25.31634 
1 1 1   -7   13   28 o   65.099   26.132   3.1556   6.7238   7.6627   9.4864  -1.3945   9.5316   83.684   31.759   65.780   28.928 17.90475 42.95894 
1 1 1   -7   13   29 o   94.254   26.023   12.567   6.5623   18.514   8.6117   4.3325   10.134  113.380   29.158   77.670   31.750 35.71080 43.10728 
1 1 1   -7   13   30 o  166.109   19.086   37.417   8.0631   33.820   11.615   40.762   11.202  152.794   30.417  170.270   26.242 -17.47620 40.17210 
1 1 1   -7   13   31 o  285.746   12.454  107.532   9.2183  101.271   13.235  113.432   12.847  273.868   18.769  290.886   17.126 -17.01837 25.40853 
1 1 1   -7   13   32 f  153.204   23.162   32.980   8.9049   31.120   11.730   35.510   13.681  143.758   32.289  151.773   35.442 -8.014450 47.94503 
1 1 1   -7   13   33 o   74.668   32.560   1.3163   11.851   12.060   18.731  -5.8550   15.303  102.187   42.600   74.336   34.264 27.85116 54.66994 
1 1 1   -7   13   34 o   45.688   21.195  -4.2131   5.9953 -10.1218   8.7400   1.0382   8.2394   49.668   23.790   63.523   27.425 -13.85461 36.30589 
1 1 1   -7   13   35 o   63.091   25.935   3.1362   6.8097  -4.0209   9.5064   10.679   9.7594   59.196   27.182   86.943   32.378 -27.74658 42.27531 
1 1 1   -7   13   36 o  213.347   15.840   62.166   8.6910   55.311   11.817   70.242   12.827  194.961   23.901  221.039   22.726 -26.07800 32.98046 
1 1 1   -7   13   37 o  106.422   27.177   17.594   7.5181   21.631   10.758   13.742   10.510  113.379   33.963   93.039   33.776 20.33956 47.89952 
1 1 1   -7   13   38 o   55.196   24.721  -0.9487   7.2864  -1.8371   10.016   0.0501   10.620   62.183   28.305   66.345   29.770 -4.161999 41.07806 
1 1 1   -7   13   39 o   44.012   20.942  -6.2820   6.5390 -14.4239   8.4894   5.5952   10.253   43.464   21.394   73.442   31.120 -29.97800 37.76492 
1 1 1   -7   13   40 o   73.005   28.004   7.7832   7.4250   0.9579   11.182   13.165   9.9299   66.841   30.220   87.468   32.643 -20.62691 44.48342 
1 1 1   -7   13   41 o   71.914   30.165   6.7352   9.4770   6.5520   14.594   6.8688   12.462   77.378   34.795   75.615   33.169 1.763557 48.07203 
1 1 1   -7   13   42 o   91.619   41.471   20.150   21.131   20.150   21.131   0.0000   0.0000   91.619   41.471  ?   ?  0.000000 41.47106 
1 1 1   -7   13   43 o   85.026   30.544   13.640   8.5653   10.642   11.433   17.474   12.931   77.724   32.894   89.275   36.097 -11.55099 48.83673 
1 1 1   -7   13   44 o   91.430   31.575   16.912   9.0876   14.513   12.736   19.400   12.971   82.212   34.752   90.416   36.295 -8.203323 50.24934 
1 1 1   -7   13   45 o   64.932   28.122   5.9928   8.7183   5.8557   12.840   6.1101   11.876   68.312   31.450   67.880   30.868 0.4317551 44.06768 
1 1 1   -7   13   46 o   75.377   30.549   12.349   9.2847   13.691   13.244   11.052   13.020   75.253   33.542   71.966   32.566 3.286400 46.75077 
1 1 1   -7   14    1 o  317.098   21.359  131.500   17.441  131.500   17.441   0.0000   0.0000  317.098   21.359  ?   ?  0.000000 21.35873 
1 1 1   -7   14    2 o  916.513   13.402  1090.19   31.817  1082.00   54.669  1094.38   39.126  911.185   23.163  917.789   16.458 -6.604004 28.41403 
1 1 1   -7   14    3 o  706.851   14.869  648.767   27.224  642.100   38.549  655.400   38.452  702.284   21.191  709.566   20.921 -7.282654 29.77809 
1 1 1   -7   14    4 f  245.594   18.350   78.857   11.589   92.130   16.297   65.280   16.483  264.757   24.025  221.507   29.458 43.25008 38.01301 
1 1 1   -7   14    5 o  552.532   12.624  396.133   18.068  373.853   22.204  439.800   31.084  536.469   15.978  581.287   20.644 -44.81836 26.10557 
1 1 1   -7   14    6 o  429.173   12.095  238.963   13.446  247.018   19.392  231.505   18.660  435.966   17.172  422.064   17.068 13.90228 24.21170 
1 1 1   -7   14    7 o  436.034   14.338  246.844   16.194  257.600   29.715  242.300   19.314  443.457   25.982  431.765   17.269 11.69174 31.19775 
1 1 1   -7   14    8 o  657.556   11.133  560.840   18.962  646.000   44.769  542.222   20.932  703.672   24.561  646.423   12.501 57.24951 27.55974 
1 1 1   -7   14    9 o  787.651   11.406  804.813   23.272  747.900   46.948  823.354   26.796  757.198   23.936  796.480   12.988 -39.28247 27.23286 
1 1 1   -7   14   10 o  414.058   11.187  222.409   11.999  213.000   27.265  224.669   13.362  402.891   26.269  416.079   12.398 -13.18829 29.04795 
1 1 1   -7   14   11 o  727.537   16.140  687.982   30.417  725.800   45.531  657.500   40.877  745.767   23.570  710.109   22.223 35.65875 32.39419 
1 1 1   -7   14   12 o  818.074   13.053  868.907   27.659  885.200   50.581  861.957   33.036  823.384   23.716  814.356   15.661 9.028015 28.42010 
1 1 1   -7   14   13 o  370.564   11.544  178.210   11.081  264.100   28.480  162.888   12.029  448.839   24.589  354.172   13.111 94.66791 27.86659 
1 1 1   -7   14   14 o  791.411   11.464  812.939   23.501  865.800   52.562  799.732   26.273  813.484   24.944  784.728   12.925 28.75610 28.09423 
1 1 1   -7   14   15 o  217.561   18.052   62.070   10.081   67.920   25.889   61.024   10.945  220.972   46.693  215.430   19.836 5.541885 50.73175 
1 1 1   -7   14   16 f  302.826   12.627  119.129   9.9047  126.198   14.375  112.740   13.666  310.696   17.938  293.587   18.058 17.10950 25.45355 
1 1 1   -7   14   17 o  269.165   13.027   94.162   9.0827   97.507   13.018   90.988   12.679  272.803   18.532  263.456   18.701 9.346405 26.32745 
1 1 1   -7   14   18 o  592.079   10.755  455.210   16.495  462.454   24.200  448.924   22.543  595.898   15.678  587.290   14.819 8.608765 21.57310 
1 1 1   -7   14   19 o  206.807   16.144   56.084   8.5795   75.522   12.338   37.881   11.939  239.464   20.075  167.122   28.608 72.34200 34.94898 
1 1 1   -7   14   20 o  636.352   20.528  530.600   33.837  530.600   33.837   0.0000   0.0000  636.352   20.528  ?   ?  0.000000 20.52771 
1 1 1   -7   14   21 o  576.429   20.098  435.800   30.008   0.0000   0.0000  435.800   30.008  ?   ?   576.429   20.098 0.000000 20.09759 
1 1 1   -7   14   22 o  240.561   14.577   75.794   9.0407   81.371   13.401   71.137   12.248  247.825   21.076  231.719   20.621 16.10596 29.48562 
1 1 1   -7   14   23 o   61.398   29.197 -15.0205   12.673   11.550   22.701 -27.0500   15.275  118.243   47.822   60.595   29.591 57.64813 56.23681 
1 1 1   -7   14   24 o   72.099   28.775   3.8946   8.1017   3.8946   8.1017   0.0000   0.0000   72.099   28.775  ?   ?  0.000000 28.77466 
1 1 1   -7   14   25 o  283.860   18.029  106.733   13.188  106.733   13.188   0.0000   0.0000  283.860   18.029  ?   ?  0.000000 18.02924 
1 1 1   -7   14   26 o  141.331   28.576   28.139   10.102   41.391   11.499 -16.6500   21.141  173.013   26.504   82.833   38.874 90.18062 47.04938 
1 1 1   -7   14   27 o  311.473   12.193  127.085   9.8377  127.980   13.858  126.176   13.968  310.345   17.308  308.021   17.579 2.324127 24.66970 
1 1 1   -7   14   28 o  207.659   15.109   57.222   8.0714   61.355   12.644   54.379   10.486  211.619   23.460  200.412   20.488 11.20782 31.14701 
1 1 1   -7   14   29 o  246.203   12.855   79.947   8.1694   90.526   11.555   69.375   11.552  260.201   17.242  226.443   19.896 33.75714 26.32712 
1 1 1   -7   14   30 o  253.006   13.880   84.848   9.0616   97.743   13.885   75.282   11.959  268.315   20.125  235.491   19.789 32.82362 28.22446 
1 1 1   -7   14   31 o  177.709   17.355   42.744   7.8870   45.590   11.154   39.897   11.154  179.879   24.581  166.926   26.696 12.95314 36.28952 
1 1 1   -7   14   32 f  131.870   25.713   25.213   8.4676   20.504   10.669   33.230   13.920  115.169   33.650  144.482   37.024 -29.31306 50.03127 
1 1 1   -7   14   33 f  167.750   21.948   39.699   9.3082   17.940   20.430   45.399   10.457  110.253   45.076  178.763   23.124 -68.51058 50.66085 
1 1 1   -7   14   34 o  256.260   14.239   88.339   9.4146   97.462   13.392   79.425   13.238  264.840   19.662  237.135   21.795 27.70459 29.35308 
1 1 1   -7   14   35 o   78.126   28.409   8.4949   7.4395   1.6067   10.202   16.316   10.872   69.048   30.157  100.514   34.545 -31.46564 45.85671 
1 1 1   -7   14   36 o   73.236   27.211   7.2231   6.8849  -5.9963   10.538   17.069   9.0944   59.180   27.669  102.655   31.334 -43.47482 41.80184 
1 1 1   -7   14   37 o   71.139   26.585   6.8334   6.5908   10.097   8.5717   2.1134   10.309   82.264   30.402   68.861   30.188 13.40270 42.84362 
1 1 1   -7   14   38 o   55.982   24.770   0.0672   7.0921   1.6695   9.8375  -1.6669   10.234   66.276   29.257   62.439   28.495 3.836395 40.84019 
1 1 1   -7   14   39 o   66.905   27.246   5.2158   7.4271   19.221   11.865  -3.8077   9.5238  101.090   35.987   57.021   26.540 44.06868 44.71535 
1 1 1   -7   14   40 o   68.284   28.666   5.3853   8.5697   9.5298   11.970   1.0278   12.274   79.727   33.695   68.069   31.119 11.65813 45.86715 
1 1 1   -7   14   41 o   93.826   34.973   17.750   11.392   44.000   15.581 -12.4000   16.698  142.117   40.409   63.035   30.816 79.08211 50.81855 
1 1 1   -7   14   42 o   55.765   26.385  -4.1479   10.100   28.920   21.496 -13.5154   11.441   97.866   43.223   50.976   25.041 46.89024 49.95283 
1 1 1   -7   14   43 o   52.953   24.430  -1.1876   7.8052  -0.1025   9.9446  -2.9285   12.596   59.282   27.429   61.063   29.058 -1.781380 39.95868 
1 1 1   -7   14   44 o   46.156   22.202  -6.1670   7.7965  -3.9025   11.398  -8.1579   10.688   56.947   27.248   51.817   25.180 5.129700 37.10106 
1 1 1   -7   14   45 o   47.803   22.789  -4.0417   7.8207  -6.1047   10.791  -1.7591   11.351   52.652   25.520   57.505   27.425 -4.853344 37.46213 
1 1 1   -7   15    1 o  390.252   12.189  197.602   12.321  203.351   17.720  192.220   17.144  395.529   17.296  384.558   17.210 10.97067 24.39968 
1 1 1   -7   15    2 f  998.219   12.537  1293.01   32.417  1324.06   46.988  1264.80   44.781  1009.12   17.976  986.375   17.527 22.74274 25.10618 
1 1 1   -7   15    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   15    4 o  733.024   11.479  697.049   21.795  680.297   30.909  713.616   30.737  723.536   16.492  741.114   16.011 -17.57776 22.98582 
1 1 1   -7   15    5 o  791.084   11.653  811.904   23.878  831.254   34.536  794.184   33.050  799.744   16.671  781.764   16.321 17.97906 23.33043 
1 1 1   -7   15    6 o  199.858   18.445   52.394   9.4412   51.059   14.037   53.497   12.758  195.547   28.554  200.913   25.060 -5.366547 37.99113 
1 1 1   -7   15    7 o  476.518   16.870  295.191   20.823  295.191   20.823   0.0000   0.0000  476.518   16.870  ?   ?  0.000000 16.87000 
1 1 1   -7   15    8 o  411.338   10.901  219.493   11.615  264.600   28.298  210.353   12.738  449.532   24.394  402.600   12.214 46.93173 27.28072 
1 1 1   -7   15    9 o  380.951   14.470  188.514   14.279  205.300   27.443  182.283   16.720  395.219   26.967  374.370   17.242 20.84863 32.00841 
1 1 1   -7   15   10 o  890.694   17.300  1032.04   39.915  1031.00   57.595  1033.00   55.367  888.106   25.036  889.287   24.036 -1.181030 34.70617 
1 1 1   -7   15   11 o  279.036   13.659  101.134   9.8729   94.640   25.626  102.266   10.699  264.723   38.499  280.136   14.796 -15.41330 41.24487 
1 1 1   -7   15   12 f  792.388   11.505  814.967   23.615  785.300   49.370  823.768   26.891  774.835   24.598  796.411   13.035 -21.57544 27.83867 
1 1 1   -7   15   13 o  188.775   20.160   46.998   9.7055  146.400   23.270   26.065   10.679  332.999   27.216  138.105   30.651 194.8936 40.98991 
1 1 1   -7   15   14 o  330.325   13.026  141.766   11.145  203.500   30.083  131.945   11.999  392.069   29.846  318.554   14.542 73.51456 33.20009 
1 1 1   -7   15   15 o  243.076   15.823   77.230   9.9083   60.630   27.091   79.794   10.646  207.134   50.864  246.962   16.741 -39.82718 53.54799 
1 1 1   -7   15   16 o  478.021   11.447  296.789   14.174  240.600   31.958  310.549   15.815  426.169   29.124  488.845   12.490 -62.67648 31.68951 
1 1 1   -7   15   17 o  644.998   11.029  540.360   18.426  521.148   25.990  559.776   26.128  632.461   15.864  655.596   15.386 -23.13556 22.09970 
1 1 1   -7   15   18 o  275.879   12.832   98.994   9.1697  102.203   12.657   95.448   13.303  279.256   17.587  269.527   19.180 9.729218 26.02262 
1 1 1   -7   15   19 o   84.337   28.867   8.7142   7.5890   17.090   11.246   1.7106   10.283  112.810   34.914   75.295   31.492 37.51476 47.01794 
1 1 1   -7   15   20 o   55.353   24.685  -2.7156   7.1827   3.1590   10.019  -8.9280   10.303   77.101   31.549   59.384   27.628 17.71770 41.93612 
1 1 1   -7   15   21 o  423.101   11.415  232.966   12.510  235.247   18.313  230.969   17.130  424.018   16.673  420.380   15.732 3.637970 22.92341 
1 1 1   -7   15   22 o  464.877   18.221  283.857   21.941  306.100   34.399  268.600   28.489  477.540   27.930  449.030   24.587 28.50980 37.21052 
1 1 1   -7   15   23 o  202.413   18.064   54.336   9.3718   47.510   12.229   64.050   14.589  186.799   25.976  217.171   26.482 -30.37166 37.09533 
1 1 1   -7   15   24 o  337.000   13.410  148.635   11.706  151.540   14.810  143.800   19.109  339.256   16.853  327.619   22.656 11.63647 28.23714 
1 1 1   -7   15   25 o  144.408   26.399   29.043   9.5108   30.732   11.174   24.600   18.120  147.194   30.316  130.846   44.606 16.34804 53.93276 
1 1 1   -7   15   26 o   55.086   25.371  -5.5816   8.3675  -6.7449   9.5382  -1.6960   17.432   58.112   26.879   87.560   38.784 -29.44825 47.18787 
1 1 1   -7   15   27 o  186.208   19.456   46.816   9.2455   47.067   10.471   45.930   19.692  185.584   22.225  171.404   44.099 14.18033 49.38278 
1 1 1   -7   15   28 o  234.365   15.003   72.938   9.0601   66.359   13.076   79.014   12.565  219.696   23.334  241.570   20.268 -21.87463 30.90744 
1 1 1   -7   15   29 o  139.391   21.612   26.930   7.5509   15.734   10.571   38.591   10.789  104.101   34.043  165.180   26.081 -61.07935 42.88556 
1 1 1   -7   15   30 o  197.999   16.302   52.704   8.2868   44.386   11.932   60.453   11.517  176.102   27.022  209.400   21.541 -33.29765 34.55668 
1 1 1   -7   15   31 o  187.967   18.963   48.398   9.1069   48.600   13.309   48.220   12.488  181.952   29.227  182.597   27.237 -0.6457825 39.95091 
1 1 1   -7   15   32 o   67.153   30.588  -3.5625   11.721  -2.4510   15.973  -4.8590   17.252   78.796   35.820   79.006   36.404 -0.2097092 51.07138 
1 1 1   -7   15   33 o   83.962   27.543   10.333   6.9182   11.462   9.0966   8.7833   10.655   88.594   31.513   84.061   33.171 4.532906 45.75399 
1 1 1   -7   15   34 o  166.986   18.883   38.988   8.0242   39.075   11.208   38.896   11.494  160.585   27.960  159.443   28.893 1.141724 40.20664 
1 1 1   -7   15   35 o   52.753   23.564  -1.1213   6.5745  -2.3871   10.558  -0.3197   8.4022   63.671   29.013   60.428   26.838 3.243256 39.52274 
1 1 1   -7   15   36 o  173.974   16.625   42.008   7.4010   38.484   9.8861   46.501   11.163  160.448   24.569  175.983   25.208 -15.53493 35.20093 
1 1 1   -7   15   37 o   69.456   27.797   5.7685   7.5830  -6.5951   10.858   17.541   10.595   58.437   27.560  100.389   34.110 -41.95234 43.85214 
1 1 1   -7   15   38 o   99.027   28.472   16.231   7.6930   19.439   11.961   13.968   10.047  101.959   36.150   90.211   32.981 11.74767 48.93471 
1 1 1   -7   15   39 o   81.930   29.614   11.194   8.0663   8.6936   10.815   14.328   12.109   77.686   32.377   88.824   35.264 -11.13792 47.87256 
1 1 1   -7   15   40 o  111.450   30.129   22.128   8.9057   28.950   12.537   15.179   12.653  118.527   36.893   88.189   35.690 30.33774 51.33095 
1 1 1   -7   15   41 o   70.179   31.855   4.4245   12.572   4.4245   12.572   0.0000   0.0000   70.179   31.855  ?   ?  0.000000 31.85459 
1 1 1   -7   15   42 o   41.822   20.664 -12.9461   8.1762 -21.7956   10.862  -1.3740   12.420   44.024   22.075   62.418   29.449 -18.39427 36.80415 
1 1 1   -7   15   43 f   54.063   25.263  -1.7024   8.7668 -18.0136   12.358   14.825   12.439   49.087   24.448   81.699   34.429 -32.61195 42.22628 
1 1 1   -7   15   44 o   52.197   24.358  -1.2451   8.1063   7.6565   12.653  -7.4423   10.557   69.409   31.679   51.384   24.983 18.02427 40.34502 
1 1 1   -7   15   45 o   58.131   26.345   3.2844   8.5583   6.9649   11.798  -0.8040   12.434   65.878   30.262   58.640   28.164 7.237789 41.33947 
1 1 1   -7   16    1 o  531.395   15.677  366.938   21.579  366.938   21.579   0.0000   0.0000  531.395   15.677  ?   ?  0.000000 15.67694 
1 1 1   -7   16    2 o  501.061   11.003  325.697   14.280  290.807   19.745  363.965   20.678  473.018   16.115  529.297   15.082 -56.27896 22.07172 
1 1 1   -7   16    3 o  448.775   11.353  261.304   13.198  265.918   19.254  257.215   18.126  452.283   16.435  444.889   15.729 7.393982 22.74893 
1 1 1   -7   16    4 o  383.745   11.937  191.103   11.866  178.193   16.945  203.524   16.621  370.119   17.675  395.688   16.216 -25.56909 23.98675 
1 1 1   -7   16    5 o  507.882   11.107  334.662   14.612  321.755   20.869  347.076   20.466  497.502   16.194  516.811   15.288 -19.30896 22.27020 
1 1 1   -7   16    6 f  490.812   11.099  312.558   14.111  303.433   20.178  321.292   19.740  483.113   16.124  497.218   15.327 -14.10495 22.24646 
1 1 1   -7   16    7 o  492.136   11.421  314.298   14.560  324.671   21.361  305.298   19.898  499.659   16.504  484.599   15.852 15.05988 22.88388 
1 1 1   -7   16    8 o  334.575   20.428  146.455   17.619  112.800   26.315  173.800   23.720  290.185   35.766  363.652   25.340 -73.46689 43.83250 
1 1 1   -7   16    9 o  764.677   24.365  764.600   48.261  764.600   48.261   0.0000   0.0000  764.677   24.365  ?   ?  0.000000 24.36488 
1 1 1   -7   16   10 o  290.431   13.249  109.572   9.9671  110.500   26.351  109.417   10.767  286.785   36.284  290.152   14.326 -3.367340 39.01004 
1 1 1   -7   16   11 o  553.682   11.208  397.937   16.075  384.300   36.538  401.210   17.900  541.454   26.052  555.812   12.433 -14.35785 28.86652 
1 1 1   -7   16   12 o  684.676   11.326  608.612   20.087  594.200   43.959  612.415   22.583  673.318   25.205  686.600   12.698 -13.28192 28.22241 
1 1 1   -7   16   13 o  380.924   12.422  188.513   12.257  132.600   29.486  200.193   13.477  313.703   36.998  392.463   13.257 -78.76013 39.30157 
1 1 1   -7   16   14 o  259.039   13.760   87.503   9.1998   91.130   22.388   86.766   10.091  259.996   34.062  257.751   15.181 2.244232 37.29206 
1 1 1   -7   16   15 o  333.622   13.519  144.766   11.682  128.300   29.979  147.715   12.685  307.361   38.500  336.891   14.536 -29.53049 41.15242 
1 1 1   -7   16   16 o  175.910   20.357   41.017   9.1047   27.750   21.363   43.962   10.064  144.963   48.439  181.903   21.794 -36.93999 53.11586 
1 1 1   -7   16   17 o   97.605   30.336   12.621   8.4800  -2.9240   27.249   14.288   8.9231  112.203   49.138  103.070   30.944 9.133896 58.06903 
1 1 1   -7   16   18 o  119.580   37.342   19.290   12.832   0.0000   0.0000   19.290   12.832  ?   ?   119.580   37.342 0.000000 37.34158 
1 1 1   -7   16   19 o  149.199   19.969   29.717   7.5238   30.626   9.2149   27.900   13.031  150.430   24.491  141.088   35.645 9.341827 43.24768 
1 1 1   -7   16   20 o  356.541   11.981  165.551   11.065  173.066   16.229  159.022   15.127  363.477   17.238  348.526   16.755 14.95068 24.03913 
1 1 1   -7   16   21 o  216.585   31.819   64.614   17.319   67.830   27.423   62.480   22.337  213.484   50.400  208.210   42.845 5.273666 66.14992 
1 1 1   -7   16   22 o  181.299   19.656   43.892   9.0832   41.719   11.809   47.040   14.214  174.419   27.011  183.958   30.926 -9.538528 41.06142 
1 1 1   -7   16   23 o  197.680   17.861   51.971   9.0470   46.113   11.742   60.530   14.193  183.669   25.356  210.311   26.651 -26.64137 36.78611 
1 1 1   -7   16   24 o  186.070   16.821   46.063   8.0198   41.238   11.344   50.884   11.340  172.750   26.170  193.482   23.081 -20.73242 34.89466 
1 1 1   -7   16   25 o   44.839   21.212  -7.1488   6.5230   0.5284   9.9593 -12.9163   8.6322   70.388   30.271   47.660   23.034 22.72798 38.03783 
1 1 1   -7   16   26 o   51.354   23.242  -3.1047   6.6349  -0.9449   9.9965  -4.8053   8.8703   67.779   29.720   57.946   26.477 9.832973 39.80396 
1 1 1   -7   16   27 o   50.400   23.592  -6.7650   7.6996  -6.4630   8.7160  -7.8380   16.430   54.924   25.506   77.342   35.596 -22.41826 43.79039 
1 1 1   -7   16   28 o  153.030   23.580   32.730   9.0469   34.317   10.911   29.240   16.184  154.414   28.322  135.888   41.855 18.52675 50.53720 
1 1 1   -7   16   29 o   88.613   27.517   11.219   6.9790   14.005   10.400   8.9361   9.4133   98.735   33.793   84.855   31.760 13.87975 46.37482 
1 1 1   -7   16   30 o   72.380   28.590   5.2817   7.9225   5.5900   10.291   4.8330   12.413   78.584   32.044   81.825   34.433 -3.241417 47.03679 
1 1 1   -7   16   31 o  107.298   29.391   17.477   8.4097   15.184   10.576   21.420   13.869   99.987   34.078  114.842   39.025 -14.85535 51.81030 
1 1 1   -7   16   32 o  150.470   25.033   33.083   9.4141   35.430   22.040   32.559   10.412  134.761   48.914  146.955   28.379 -12.19431 56.55022 
1 1 1   -7   16   33 o   65.803   26.041   4.5791   6.5842   1.0093   10.223   7.1097   8.6072   68.213   29.979   76.332   29.910 -8.118591 42.34839 
1 1 1   -7   16   34 o  135.017   21.745   26.426   7.3468   17.118   11.527   32.794   9.5343  101.313   35.528  147.635   25.875 -46.32185 43.95184 
1 1 1   -7   16   35 o   67.440   25.811   5.7068   6.2986   6.3040   7.9502   4.7000   10.322   72.091   28.588   73.306   31.151 -1.214783 42.28114 
1 1 1   -7   16   36 o   49.990   23.338  -4.5981   7.4538  -7.3472   10.687  -1.9941   10.401   57.219   27.093   62.617   28.635 -5.398140 39.42081 
1 1 1   -7   16   37 o   34.620   17.330 -16.2125   6.5619 -21.4452   10.083 -12.3679   8.6427   43.809   21.862   45.541   22.244 -1.731453 31.18843 
1 1 1   -7   16   38 o   64.689   26.513   4.7779   7.0902  -4.7914   8.9976   20.455   11.516   53.853   25.302  103.032   35.547 -49.17833 43.63194 
1 1 1   -7   16   39 o   80.985   30.533   11.311   8.7312   21.305   12.668   2.2675   12.051  100.698   37.001   68.365   31.091 32.33286 48.32990 
1 1 1   -7   16   40 o   60.980   28.224  -0.6142   10.542  -1.4560   15.679   0.0806   14.243   68.365   32.500   67.826   31.856 0.5389099 45.50849 
1 1 1   -7   16   41 o   81.253   35.933   13.385   14.904   9.4420   22.053   16.700   20.221   79.239   37.910   84.496   39.101 -5.257843 54.46199 
1 1 1   -7   16   42 o   47.576   22.817  -5.8658   8.0963   8.3633   10.497 -26.7655   12.721   71.323   30.874   45.656   23.023 25.66669 38.51275 
1 1 1   -7   16   43 o   61.605   26.766   4.8261   7.9474  -3.4860   11.696   11.956   10.832   57.143   27.410   75.715   32.029 -18.57144 42.15691 
1 1 1   -7   16   44 o   63.712   27.642   6.4850   8.4529   15.482   12.294  -1.5818   11.641   78.064   33.602   57.344   27.464 20.72040 43.39788 
1 1 1   -7   17    1 o  334.996   12.552  145.701   10.892  143.090   15.733  148.102   15.093  331.010   18.423  336.931   17.352 -5.920044 25.30796 
1 1 1   -7   17    2 o  491.866   11.098  313.942   14.140  302.065   19.980  325.859   20.013  481.972   16.004  500.664   15.432 -18.69257 22.23184 
1 1 1   -7   17    3 o  527.625   11.082  361.256   15.145  352.137   21.940  369.556   20.933  520.339   16.278  533.203   15.156 -12.86304 22.24154 
1 1 1   -7   17    4 o  454.424   11.475  268.017   13.508  273.662   19.537  262.848   18.695  458.674   16.444  449.566   16.054 9.107788 22.98157 
1 1 1   -7   17    5 o  372.934   12.283  180.576   11.866  181.456   17.818  179.875   15.906  373.265   18.428  371.838   16.514 1.426758 24.74521 
1 1 1   -7   17    6 o  272.058   23.001   97.386   16.057   93.190   24.602  100.500   21.194  262.788   37.180  274.866   30.269 -12.07785 47.94355 
1 1 1   -7   17    7 o  180.707   31.218   44.174   14.084   38.360   20.004   49.890   19.833  166.386   45.228  189.963   41.470 -23.57703 61.36216 
1 1 1   -7   17    8 f  343.168   13.314  153.010   11.835  162.971   17.091  143.833   16.404  353.121   18.752  331.607   19.180 21.51407 26.82355 
1 1 1   -7   17    9 o  674.472   11.115  590.546   19.418  568.200   41.358  596.866   21.994  658.732   24.238  677.859   12.526 -19.12775 27.28330 
1 1 1   -7   17   10 o  356.532   12.019  165.101   11.100  205.500   27.607  157.311   12.123  394.581   27.176  347.894   13.453 46.68616 30.32342 
1 1 1   -7   17   11 o  126.989   25.052   21.874   7.9478   28.340   22.571   20.958   8.4916  147.808   49.788  123.915   27.201 23.89254 56.73409 
1 1 1   -7   17   12 o  358.591   12.408  167.104   11.525  210.800   29.282  159.094   12.537  398.924   28.526  349.748   13.838 49.17618 31.70537 
1 1 1   -7   17   13 o  462.184   14.870  278.095   17.802  294.400   34.748  272.292   20.729  471.463   28.588  456.880   17.516 14.58228 33.52716 
1 1 1   -7   17   14 o  576.428   11.436  431.751   17.075  476.700   39.795  421.608   18.904  601.781   25.529  569.378   12.817 32.40332 28.56633 
1 1 1   -7   17   15 o  316.332   13.763  130.265   11.278  140.700   28.648  128.352   12.268  322.655   34.830  313.838   15.091 8.817200 37.95887 
1 1 1   -7   17   16 o  213.130   17.587   59.760   9.6225  115.500   30.267   53.493   10.149  288.827   41.660  201.146   19.733 87.68143 46.09758 
1 1 1   -7   17   17 o  334.237   17.707  146.558   15.276   0.0000   0.0000  146.558   15.276  ?   ?   334.237   17.707 0.000000 17.70689 
1 1 1   -7   17   18 o  497.483   13.656  322.705   17.597  270.200   31.406  346.731   21.245  450.064   27.066  515.048   15.925 -64.98447 31.40287 
1 1 1   -7   17   19 o  490.263   15.010  314.170   19.061  308.100   36.050  316.525   22.457  478.649   29.216  491.240   17.649 -12.59073 34.13279 
1 1 1   -7   17   20 f  269.660   28.367   98.655   19.518   72.110   30.106  117.900   25.634  217.890   53.689  292.000   34.562 -74.10994 63.85176 
1 1 1   -7   17   21 o  327.028   19.188  141.723   16.183   88.140   30.056  163.600   19.204  242.105   49.594  350.562   21.249 -108.4569 53.95434 
1 1 1   -7   17   22 o   44.192   20.917  -7.1651   6.3576  -9.3660   8.7636  -4.7200   9.2372   52.183   24.656   60.034   27.271 -7.851463 36.76445 
1 1 1   -7   17   23 o  146.705   19.943   29.138   7.3822   21.210   10.377   37.263   10.505  121.342   32.403  164.191   25.528 -42.84975 41.25126 
1 1 1   -7   17   24 o  180.981   16.168   43.635   7.4995   45.692   10.470   41.468   10.747  182.903   22.578  173.280   24.638 9.622513 33.41888 
1 1 1   -7   17   25 o  171.025   17.097   39.227   7.4725   37.841   11.489   40.243   9.8378  163.374   28.165  171.061   22.768 -7.687134 36.21669 
1 1 1   -7   17   26 o   85.688   28.103   10.071   7.2024   3.3458   10.613   15.814   9.8066   76.576   32.006  104.482   32.647 -27.90614 45.71915 
1 1 1   -7   17   27 o  147.180   20.900   29.878   7.7439   32.273   11.126   27.628   10.785  148.700   29.923  136.724   31.147 11.97545 43.19165 
1 1 1   -7   17   28 o   90.151   29.484   11.555   7.9296   9.5803   8.7868   20.220   18.407   85.444   30.904  116.606   44.243 -31.16177 53.96748 
1 1 1   -7   17   29 o  174.201   30.918   45.240   13.440   45.240   13.440   0.0000   0.0000  174.201   30.918  ?   ?  0.000000 30.91786 
1 1 1   -7   17   30 o   76.332   27.890   7.5732   7.1825   17.425   10.068  -2.6370   10.250  105.987   33.073   64.069   28.952 41.91856 43.95509 
1 1 1   -7   17   31 o  104.418   37.929   17.391   13.256   15.690   19.269   18.920   18.265  104.560   43.366  108.769   43.269 -4.209106 61.26018 
1 1 1   -7   17   32 o   55.003   23.745   0.6332   6.1756  -0.1723   9.1572   1.3051   8.3637   63.372   28.088   63.568   27.538 -0.1963425 39.33553 
1 1 1   -7   17   33 o   79.796   28.177   9.3240   7.2596   8.2418   10.589   10.284   9.9718   81.085   32.708   84.709   32.463 -3.624924 46.08271 
1 1 1   -7   17   34 o   98.978   25.930   15.187   6.7277   14.873   8.6816   15.659   10.645   95.639   30.819   96.846   34.128 -1.207474 45.98406 
1 1 1   -7   17   35 o   57.324   25.507  -0.1977   7.6234   1.0873   10.817  -1.4658   10.746   67.820   30.265   64.168   29.251 3.651939 42.09029 
1 1 1   -7   17   36 o   51.447   23.309  -1.5361   6.6938   2.8970   10.187  -4.9052   8.8802   68.365   29.989   54.011   25.299 14.35454 39.23465 
1 1 1   -7   17   37 o   54.527   24.703  -1.0327   7.5160   4.5869   10.376  -7.2360   10.902   70.374   30.579   56.598   26.960 13.77659 40.76722 
1 1 1   -7   17   38 o   64.171   27.630   3.7924   8.3169  -4.6277   11.994   11.591   11.543   60.758   28.749   82.111   33.762 -21.35322 44.34396 
1 1 1   -7   17   39 f   36.142   18.246 -22.0365   8.1154 -14.3300   13.931 -25.9948   9.9844   56.188   27.608   39.950   20.176 16.23818 34.19444 
1 1 1   -7   17   40 o   68.409   29.326   6.4888   9.2946   11.482   10.619  -9.8600   19.216   78.296   32.310   65.693   32.307 12.60340 45.69158 
1 1 1   -7   17   41 o   56.210   26.073  -0.6317   9.0695  -6.5812   12.671   5.6177   12.987   57.389   27.777   69.403   31.833 -12.01390 42.24791 
1 1 1   -7   17   42 o   56.566   26.067   0.6423   8.8483  -9.4684   12.451   10.958   12.577   53.911   26.409   74.207   32.903 -20.29578 42.19039 
1 1 1   -7   17   43 o   65.351   28.336   7.1080   8.8720   27.232   13.161  -9.6529   12.011   97.741   37.333   51.900   25.528 45.84085 45.22627 
1 1 1   -7   17   44 o   69.447   28.756   10.250   8.4525   5.6592   11.295   16.092   12.742   62.788   29.115   75.871   33.405 -13.08342 44.31185 
1 1 1   -7   18    1 o  372.593   12.320  180.296   11.891  156.729   16.869  203.568   16.763  346.244   18.880  395.495   16.363 -49.25156 24.98405 
1 1 1   -7   18    2 o  788.457   13.456  807.812   27.481  868.200   51.135  783.289   32.586  814.387   24.240  775.818   16.215 38.56873 29.16388 
1 1 1   -7   18    3 o  235.585   26.069   73.637   15.642   92.480   23.580   58.830   20.902  261.918   35.684  206.709   40.486 55.20847 53.96775 
1 1 1   -7   18    4 o  477.545   16.520  296.874   20.436  321.600   30.088  275.700   27.843  495.756   23.430  458.416   23.527 37.34018 33.20395 
1 1 1   -7   18    5 f  471.440   13.966  288.931   17.055  299.045   21.224  270.500   28.652  479.174   17.100  453.771   24.467 25.40292 29.84999 
1 1 1   -7   18    6 o  204.564   19.219   55.062   10.065   69.117   15.143   43.940   13.471  228.059   26.104  180.345   29.882 47.71384 39.67786 
1 1 1   -7   18    7 o  227.046   18.148   67.632   10.584   62.475   15.581   72.051   14.423  216.072   28.536  233.265   24.223 -17.19235 37.43060 
1 1 1   -7   18    8 o  248.672   17.044   80.951   10.912   95.724   16.178   68.618   14.781  269.326   23.422  227.244   25.555 42.08179 34.66497 
1 1 1   -7   18    9 o  205.372   19.055   55.524   10.021   38.778   13.604   75.395   14.819  168.438   32.355  238.536   24.324 -70.09801 40.47880 
1 1 1   -7   18   10 o  363.798   12.457  172.026   11.739  166.300   29.539  173.100   12.792  352.602   32.715  364.814   13.537 -12.21213 35.40479 
1 1 1   -7   18   11 o  180.289   19.685   42.985   9.0435   50.530   26.281   41.972   9.6317  188.286   52.114  177.803   21.339 10.48264 56.31411 
1 1 1   -7   18   12 o  479.293   11.651  298.569   14.465  304.300   34.495  297.346   15.933  479.146   27.914  478.127   12.865 1.019653 30.73589 
1 1 1   -7   18   13 o  247.844   15.162   80.356   9.6872  105.200   24.321   75.672   10.561  278.575   34.439  240.157   17.089 38.41782 38.44516 
1 1 1   -7   18   14 o  171.237   21.166   39.041   9.1883   92.630   28.222   32.687   9.7178  257.140   43.949  155.592   24.955 101.5481 50.54001 
1 1 1   -7   18   15 o  471.536   13.543  289.680   16.541   0.0000   0.0000  289.680   16.541  ?   ?   471.536   13.543 0.000000 13.54282 
1 1 1   -7   18   16 o  378.606   14.540  187.044   14.259  142.600   32.230  197.860   15.900  320.999   39.602  389.143   15.774 -68.14395 42.62769 
1 1 1   -7   18   17 o  559.545   11.802  407.723   17.105  411.300   36.085  406.687   19.427  556.714   25.023  558.385   13.431 -1.670898 28.40003 
1 1 1   -7   18   18 o  183.305   19.560   44.728   9.1438   66.290   28.078   42.170   9.6710  210.289   51.870  177.430   21.480 32.85852 56.14136 
1 1 1   -7   18   19 o  357.647   18.191  168.836   16.796  147.500   32.078  176.895   19.715  323.478   39.075  365.003   20.940 -41.52451 44.33199 
1 1 1   -7   18   20 o   75.095   31.399   2.2976   10.218   61.570   24.897  -9.7100   11.206  201.433   48.333   61.174   28.578 140.2584 56.15007 
1 1 1   -7   18   21 o  113.030   29.599   18.128   8.7685   11.580   21.058   19.502   9.6444  112.639   45.874  116.930   31.246 -4.290733 55.50434 
1 1 1   -7   18   22 o  126.199   29.856   22.795   9.6073   19.940   22.369   23.441   10.638  125.180   48.449  127.305   32.230 -2.125519 58.18987 
1 1 1   -7   18   23 o  150.343   20.222   30.760   7.6756   24.425   11.097   36.571   10.628  129.137   33.040  161.692   26.278 -32.55519 42.21545 
1 1 1   -7   18   24 o  134.973   21.797   25.170   7.3611   30.601   10.554   20.026   10.272  146.046   28.922  116.725   32.679 29.32023 43.63917 
1 1 1   -7   18   25 o   76.421   26.210   7.6436   6.2566   5.3191   8.6513   10.192   9.0591   75.333   29.839   88.250   31.442 -12.91741 43.34700 
1 1 1   -7   18   26 o  247.340   13.230   81.004   8.4457   73.712   12.565   87.014   11.407  232.008   21.140  254.374   17.417 -22.36534 27.39047 
1 1 1   -7   18   27 o  158.767   18.907   34.508   7.6227   30.682   11.845   37.211   9.9586  142.367   32.797  162.168   24.469 -19.80020 40.91867 
1 1 1   -7   18   28 o  150.585   20.540   31.551   7.8030   37.790   12.489   27.556   9.9938  158.262   31.571  135.969   29.244 22.29358 43.03429 
1 1 1   -7   18   29 o   76.181   31.207   5.3320   9.8168   5.3320   9.8168   0.0000   0.0000   76.181   31.207  ?   ?  0.000000 31.20736 
1 1 1   -7   18   30 o  100.571   31.208   15.762   8.9786   13.922   10.217   22.000   18.815   95.425   33.449  113.518   44.294 -18.09325 55.50523 
1 1 1   -7   18   31 o  213.138   19.394   63.599   10.590   62.498   12.257   66.840   21.033  208.079   23.133  192.626   43.218 15.45294 49.01931 
1 1 1   -7   18   32 o   57.963   25.315   0.5359   7.1888  -2.9389   10.085   4.1258   10.250   61.469   28.141   72.642   30.960 -11.17331 41.83813 
1 1 1   -7   18   33 f   41.841   20.024  -6.9687   6.1634  -2.1171   7.9143 -14.4456   9.8250   55.481   25.218   48.406   23.659 7.075115 34.57887 
1 1 1   -7   18   34 o   94.514   29.603   14.650   8.0579   26.769   11.778   3.9879   11.048  122.588   35.225   72.549   31.539 50.03965 47.28130 
1 1 1   -7   18   35 o   63.204   25.955   4.0930   6.8113   8.4225   9.9106   0.2171   9.3769   77.835   31.556   62.326   27.970 15.50904 42.16734 
1 1 1   -7   18   36 o   62.588   26.750   3.1836   7.6914   16.832   11.275  -8.6973   10.519   94.920   34.903   54.179   25.990 40.74117 43.51662 
1 1 1   -7   18   37 o   73.874   29.021   8.4415   8.1216   8.4635   11.811   8.4218   11.186   76.955   33.026   76.350   32.436 0.6047134 46.29059 
1 1 1   -7   18   38 o   55.429   25.011   0.2131   7.6158 -16.1600   11.242   14.099   10.353   48.907   24.176   85.444   32.991 -36.53729 40.90122 
1 1 1   -7   18   39 o   71.322   29.696   8.1365   9.0855   22.292   12.974  -5.4860   12.727   97.141   37.075   59.281   28.477 37.85984 46.74982 
1 1 1   -7   18   40 o   66.211   29.943   4.6805   10.988   18.480   19.915  -1.3586   13.175   83.434   38.678   62.470   29.725 20.96379 48.78076 
1 1 1   -7   18   41 o   60.173   27.080   3.1442   8.8604   8.2329   12.121  -2.6955   12.985   70.431   31.687   59.925   28.780 10.50678 42.80640 
1 1 1   -7   18   42 o   78.929   29.738   13.229   8.2797   11.495   11.998   14.805   11.441   72.919   32.244   78.368   33.021 -5.448822 46.15242 
1 1 1   -7   18   43 o  139.811   25.828   35.926   9.0091   32.121   13.527   38.960   12.078  101.987   38.091  126.648   35.427 -24.66095 52.01944 
1 1 1   -7   19    1 o  735.369   13.611  703.157   25.926  713.838   32.124  683.200   43.909  740.179   16.755  722.043   23.477 18.13635 28.84228 
1 1 1   -7   19    2 o  934.305   12.318  1134.27   29.811  1148.38   42.801  1120.98   41.546  938.504   17.606  927.345   17.296 11.15894 24.68037 
1 1 1   -7   19    3 o  336.660   20.072  148.596   17.424  148.596   17.424   0.0000   0.0000  336.660   20.072  ?   ?  0.000000 20.07153 
1 1 1   -7   19    4 f  146.375   26.699   29.030   9.7501   25.981   14.682   31.435   13.041  137.502   39.271  150.979   34.146 -13.47742 52.03994 
1 1 1   -7   19    5 o  679.095   11.634  599.121   20.465  579.233   29.124  618.516   28.761  666.604   16.867  689.030   16.115 -22.42651 23.32765 
1 1 1   -7   19    6 o  173.178   23.333   40.015   10.200   53.208   15.598   30.158   13.483  198.151   31.440  147.563   35.669 50.58850 47.54713 
1 1 1   -7   19    7 f  240.753   17.732   76.039   10.980   74.854   16.621   76.956   14.625  236.724   27.626  241.010   23.735 -4.285950 36.42230 
1 1 1   -7   19    8 o  255.951   17.371   85.873   11.449   71.632   17.154   97.312   15.374  230.972   29.334  271.598   22.043 -40.62537 36.69293 
1 1 1   -7   19    9 o  749.035   11.938  729.362   23.163  742.397   33.787  717.803   31.817  754.158   17.296  741.802   16.559 12.35632 23.94411 
1 1 1   -7   19   10 o  667.326   25.756  587.300   44.522  587.300   44.522   0.0000   0.0000  667.326   25.756  ?   ?  0.000000 25.75646 
1 1 1   -7   19   11 o  188.005   18.441   46.660   8.8650   10.380   23.020   52.978   9.6059  118.978   48.143  200.384   18.723 -81.40625 51.65594 
1 1 1   -7   19   12 f  350.114   13.049  159.597   11.834  128.000   27.970  166.486   13.060  306.475   35.914  357.432   14.106 -50.95709 38.58470 
1 1 1   -7   19   13 o  631.680   15.389  520.868   25.181   0.0000   0.0000  520.868   25.181  ?   ?   631.680   15.389 0.000000 15.38940 
1 1 1   -7   19   14 o  328.311   16.352  140.949   13.906   0.0000   0.0000  140.949   13.906  ?   ?   328.311   16.352 0.000000 16.35199 
1 1 1   -7   19   15 o  318.629   13.587  132.449   11.214  105.300   30.092  136.828   12.084  272.126   44.208  323.706   14.412 -51.57980 46.49780 
1 1 1   -7   19   16 o  373.118   12.898  181.616   12.465  162.200   27.544  186.617   13.979  345.446   31.115  377.913   14.280 -32.46686 34.23578 
1 1 1   -7   19   17 o  291.226   14.913  111.316   11.212  123.200   31.082  109.538   12.021  293.851   42.032  288.557   16.148 5.294189 45.02736 
1 1 1   -7   19   18 o  140.413   36.986   28.440   13.639   72.230   27.394   14.007   15.727  218.346   49.569  109.414   41.032 108.9320 64.34783 
1 1 1   -7   19   19 o   52.804   24.241  -4.9778   7.5542   20.940   21.807  -8.5120   8.0528  127.901   48.246   50.211   23.697 77.68970 53.75108 
1 1 1   -7   19   20 o  157.539   26.919   34.586   10.590   30.800   26.033   35.337   11.593  144.790   53.067  158.292   29.354 -13.50223 60.64484 
1 1 1   -7   19   21 o   86.550   32.619   8.5054   9.9635  -3.7330   26.265   10.563   10.768  102.938   46.447   92.824   34.114 10.11340 57.62902 
1 1 1   -7   19   22 o  223.311   17.554   66.728   10.072   75.320   28.931   65.543   10.744  212.749   52.757  220.716   18.978 -7.967728 56.06675 
1 1 1   -7   19   23 o  110.098   27.337   17.458   7.7603   40.090   27.362   15.478   8.0926  153.464   54.648  103.472   29.019 49.99136 61.87449 
1 1 1   -7   19   24 o  147.464   26.258   30.934   9.6622   31.160   26.316   30.899   10.388  138.520   52.818  146.305   28.434 -7.785492 59.98571 
1 1 1   -7   19   25 o   69.250   26.815   4.9388   6.8548   0.3909   9.8480   9.2131   9.5473   68.575   29.794   85.871   32.015 -17.29643 43.73421 
1 1 1   -7   19   26 o   63.046   25.062   3.5373   6.1236   5.8632   8.1522   0.5257   9.2764   74.516   29.134   66.679   28.944 7.836098 41.06713 
1 1 1   -7   19   27 o  157.422   20.215   34.427   8.0525   48.470   13.180   26.064   10.171  181.301   29.046  131.183   30.510 50.11729 42.12509 
1 1 1   -7   19   28 o   55.356   24.643  -1.2993   7.1240   0.1517   9.3504  -3.3070   10.999   65.360   28.700   65.201   29.672 0.1593933 41.28074 
1 1 1   -7   19   29 o   99.506   28.543   15.209   7.7398   13.250   8.7012   22.630   16.939   93.079   30.907  114.145   42.627 -21.06552 52.65269 
1 1 1   -7   19   30 o   73.353   30.635   4.8378   9.7115   21.890   22.925   1.1083   10.721  111.033   46.762   69.330   30.577 41.70333 55.87147 
1 1 1   -7   19   31 o  110.755   31.227   20.058   9.3452   14.982   11.009   33.150   17.680   95.715   34.596  129.021   44.062 -33.30563 56.02050 
1 1 1   -7   19   32 o   79.886   30.130   9.3103   8.5045   5.7355   9.8670   19.640   16.773   73.949   30.881  103.272   41.338 -29.32330 51.59867 
1 1 1   -7   19   33 o  123.338   26.035   23.739   8.0566   26.852   11.675   20.908   11.132  122.687   35.012  108.060   34.907 14.62687 49.44023 
1 1 1   -7   19   34 o  117.975   24.774   21.680   7.3299   17.964   10.175   25.688   10.568  100.249   33.429  120.815   32.888 -20.56660 46.89417 
1 1 1   -7   19   35 o   76.663   28.902   9.1999   7.8232   12.935   11.531   6.0145   10.649   86.366   34.373   73.016   31.348 13.34921 46.52093 
1 1 1   -7   19   36 o  124.203   26.002   25.192   8.0971   20.491   11.124   30.491   11.809  101.543   34.941  125.589   34.995 -24.04665 49.45260 
1 1 1   -7   19   37 o   50.285   23.469  -3.0548   7.5300  -6.7932   11.120   0.1115   10.233   55.761   26.741   61.246   28.153 -5.485600 38.82866 
1 1 1   -7   19   38 o   59.334   27.535  -0.4343   10.131   0.3566   15.124  -1.0780   13.644   67.605   32.075   64.477   30.554 3.128151 44.29825 
1 1 1   -7   19   39 o   82.621   36.318   16.403   15.010  -2.2450   22.871   30.510   19.892   70.687   34.857   94.949   41.772 -24.26177 54.40505 
1 1 1   -7   19   40 o  150.439   26.264   39.845   9.8621   63.333   14.110   17.411   13.790  180.741   31.270   82.595   35.570 98.14603 47.36082 
1 1 1   -7   19   41 o  122.908   30.311   30.326   9.5897   40.546   13.497   19.909   13.627  126.274   38.090   83.966   35.740 42.30837 52.23217 
1 1 1   -7   19   42 o   69.697   28.519   10.124   8.1865  -4.0567   13.196   18.997   10.438   56.335   27.510   85.446   33.088 -29.11108 43.03048 
1 1 1   -7   19   43 o   50.818   24.005  -0.4048   8.2963   4.0416   11.742  -4.8371   11.723   59.624   28.280   52.225   25.593 7.398525 38.14122 
1 1 1   -7   20    1 o  277.883   15.279  100.908   10.956  101.398   16.205  100.496   14.869  277.065   22.782  276.241   20.935 0.8238220 30.94025 
1 1 1   -7   20    2 o  521.504   11.635  353.471   15.717  352.789   22.572  354.113   21.898  520.027   16.757  521.120   16.223 -1.093079 23.32323 
1 1 1   -7   20    3 o  553.959   11.646  398.858   16.711  392.631   24.215  404.520   23.092  548.509   17.043  557.001   16.005 -8.491394 23.38002 
1 1 1   -7   20    4 o  134.433   29.109   24.817   9.8429   25.434   15.562   24.406   12.708  136.124   40.864  132.765   36.031 3.358734 54.48009 
1 1 1   -7   20    5 o  231.837   18.147   70.655   10.811   50.508   16.288   86.518   14.453  191.870   34.018  255.864   22.022 -63.99446 40.52415 
1 1 1   -7   20    6 o  676.219   11.842  594.566   20.743  610.300   30.447  580.938   28.336  683.626   17.194  667.227   16.395 16.39893 23.75782 
1 1 1   -7   20    7 o  260.537   17.202   89.045   11.544  101.999   17.815   79.670   15.156  277.038   25.097  244.811   24.218 32.22691 34.87688 
1 1 1   -7   20    8 o  547.544   12.100  390.007   17.161  389.259   25.390  390.635   23.285  545.576   17.966  546.970   16.435 -1.393860 24.34910 
1 1 1   -7   20    9 o  288.330   16.226  108.902   12.069  118.425   18.577  101.948   15.876  298.702   24.219  277.543   22.271 21.15927 32.90185 
1 1 1   -7   20   10 o  160.316   25.622   34.802   10.282   32.310   15.571   36.728   13.691  151.301   39.357  162.612   33.614 -11.31091 51.75793 
1 1 1   -7   20   11 o   93.432   37.166   6.9162   13.475   0.0000   0.0000   6.9162   13.475  ?   ?    93.432   37.166 0.000000 37.16639 
1 1 1   -7   20   12 o  216.734   21.464   62.471   11.891   0.0000   0.0000   62.471   11.891  ?   ?   216.734   21.464 0.000000 21.46359 
1 1 1   -7   20   13 o  251.127   15.844   82.838   10.254  106.100   24.592   77.943   11.281  277.472   34.993  243.052   18.047 34.42014 39.37305 
1 1 1   -7   20   14 o  484.800   11.963  306.350   15.023  256.800   34.987  317.551   16.635  434.895   31.267  493.294   13.018 -58.39850 33.86846 
1 1 1   -7   20   15 f  281.837   14.936  104.291   10.865  103.900   27.547  104.363   11.824  270.197   40.616  281.577   16.281 -11.38013 43.75740 
1 1 1   -7   20   16 o  412.802   12.875  222.714   13.767  170.800   33.356  233.373   15.115  348.339   37.562  422.276   13.818 -73.93729 40.02281 
1 1 1   -7   20   17 o  130.997   36.042   24.800   12.614   27.910   21.036   23.054   15.761  139.287   48.043  127.222   41.566 12.06459 63.52871 
1 1 1   -7   20   18 o  168.133   28.017   39.454   11.772   28.120   26.775   42.170   13.107  141.577   53.446  172.920   30.371 -31.34300 61.47197 
1 1 1   -7   20   19 o  172.325   24.752   40.973   10.731   40.090   27.052   41.138   11.691  157.997   54.483  171.630   27.204 -13.63210 60.89666 
1 1 1   -7   20   20 o  155.261   25.916   33.747   10.055   35.360   25.939   33.462   10.908  148.726   53.181  153.457   28.492 -4.730850 60.33269 
1 1 1   -7   20   21 o  203.123   17.999   55.471   9.3718   60.350   24.966   54.670   10.111  190.842   49.929  200.932   19.680 -10.08995 53.66774 
1 1 1   -7   20   22 o  215.049   17.886   62.261   9.8729   61.810   23.145   62.362   10.916  194.712   46.526  214.273   19.894 -19.56065 50.60064 
1 1 1   -7   20   23 o   55.275   24.993  -3.0830   7.6507 -10.9500   18.160  -1.3854   8.4358   77.771   36.348   61.041   27.012 16.72976 45.28625 
1 1 1   -7   20   24 o   94.216   28.281   12.908   7.4539  -6.1840   18.241   16.735   8.1670   81.663   37.555  106.431   28.885 -24.76788 47.37906 
1 1 1   -7   20   25 o  169.937   18.518   39.532   8.0195   6.2840   23.049   44.112   8.5540  101.279   44.742  179.525   18.668 -78.24648 48.47996 
1 1 1   -7   20   26 o   76.195   30.288   6.1263   8.9431   0.0000   0.0000   6.1263   8.9431  ?   ?    76.195   30.288 0.000000 30.28774 
1 1 1   -7   20   27 o   79.277   26.654   8.9424   6.4686   6.6142   8.1370   12.940   10.663   75.102   29.178   93.688   34.019 -18.58645 44.81787 
1 1 1   -7   20   28 o   62.111   25.879   2.6659   6.9070  -5.7456   10.325   9.4800   9.2926   59.431   27.652   83.180   31.465 -23.74958 41.88936 
1 1 1   -7   20   29 o   80.036   33.676   6.4822   11.871   2.6010   21.498   8.1850   14.240   89.126   40.907   86.194   36.607 2.931427 54.89508 
1 1 1   -7   20   30 o   62.490   24.664   4.2779   5.8914   6.3367   8.1446   2.0186   8.5322   72.541   28.882   64.450   27.867 8.090759 40.13430 
1 1 1   -7   20   31 o   43.790   21.067  -8.3179   7.0263 -12.7589   10.947  -5.2070   9.1625   53.049   25.711   55.098   25.773 -2.049091 36.40462 
1 1 1   -7   20   32 o   64.246   28.116   1.9458   8.9081  -4.5456   10.512   18.480   16.777   59.386   27.722   99.122   40.723 -39.73588 49.26344 
1 1 1   -7   20   33 o  142.081   46.736   47.390   19.914   0.0000   0.0000   47.390   19.914  ?   ?   142.081   46.736 0.000000 46.73611 
1 1 1   -7   20   34 o   60.029   26.295   1.8139   7.8070   4.7654   10.954  -1.2334   11.130   71.219   31.173   63.366   29.212 7.853352 42.72131 
1 1 1   -7   20   35 o   65.875   27.143   5.4321   7.4798   4.3255   10.362   6.6362   10.808   68.423   30.124   72.707   31.401 -4.283745 43.51419 
1 1 1   -7   20   36 o  125.606   27.394   27.021   8.6617   30.689   12.719   23.850   11.828  119.165   37.171  105.227   36.039 13.93812 51.77369 
1 1 1   -7   20   37 o  105.589   31.633   21.996   9.3325   18.250   15.811   24.000   11.562   86.624   37.694  103.621   35.624 -16.99670 51.86435 
1 1 1   -7   20   38 o   40.580   20.235 -15.7773   8.5737  -8.0602   9.7574 -41.9200   17.959   49.715   24.136   49.782   25.341 -0.6750870E-01 34.99555 
1 1 1   -7   20   39 o   55.952   26.260  -0.8430   9.6491  -6.2510   16.006   2.2446   12.094   60.887   29.851   62.961   29.502 -2.073524 41.96932 
1 1 1   -7   20   40 o   56.596   26.135   1.4113   8.9629   2.7728   12.611   0.0215   12.741   62.709   29.613   60.323   28.848 2.386463 41.34229 
1 1 1   -7   20   41 o   49.562   23.317  -1.3242   7.6859  -7.6458   9.6793   9.4640   12.645   47.733   23.362   67.887   31.238 -20.15407 39.00756 
1 1 1   -7   20   42 o  147.028   24.953   40.108   9.1634   30.075   13.534   48.600   12.451   93.015   37.168  143.327   34.044 -50.31116 50.40278 
1 1 1   -7   21    1 o  431.147   12.831  241.989   14.329  246.643   21.124  238.022   19.502  434.006   18.790  426.628   17.648 7.378510 25.77800 
1 1 1   -7   21    2 o  403.357   12.976  211.833   13.558  221.151   20.104  204.059   18.362  410.925   18.887  394.938   17.949 15.98682 26.05530 
1 1 1   -7   21    3 o  395.265   13.119  203.456   13.432  204.039   19.954  202.972   18.162  394.528   19.526  393.893   17.800 0.6342468 26.42194 
1 1 1   -7   21    4 o  501.718   12.293  327.616   15.976  313.168   23.207  340.629   22.025  489.075   18.319  510.545   16.654 -21.46942 24.75777 
1 1 1   -7   21    5 o  584.195   12.009  444.135   18.173  456.986   26.552  432.810   24.926  591.058   17.343  575.411   16.723 15.64716 24.09229 
1 1 1   -7   21    6 o  357.720   14.312  166.895   13.261  164.762   19.833  168.619   17.834  353.172   21.786  358.043   19.301 -4.871643 29.10619 
1 1 1   -7   21    7 o  167.876   26.123   38.200   10.990   31.706   16.929   42.930   14.449  149.529   41.984  176.153   32.874 -26.62370 53.32323 
1 1 1   -7   21    8 f  215.234   23.587   61.919   12.935  102.100   23.438   44.321   15.511  273.217   33.843  178.282   34.837 94.93501 48.56902 
1 1 1   -7   21    9 f  333.569   20.817  147.089   17.897  145.900   27.178  148.000   23.781  327.550   32.460  331.955   27.916 -4.404907 42.81309 
1 1 1   -7   21   10 o  202.828   26.119   55.604   13.404   44.963   17.511   70.660   20.829  177.695   39.105  224.798   37.063 -47.10373 53.87804 
1 1 1   -7   21   11 o  205.647   23.844   56.838   12.466   35.110   27.420   62.499   13.996  157.737   54.825  215.191   25.611 -57.45419 60.51236 
1 1 1   -7   21   12 o   95.720   30.327   12.297   8.4339   57.110   25.010   6.5469   8.9587  195.332   49.398   80.935   30.828 114.3977 58.22810 
1 1 1   -7   21   13 o  160.856   20.441   34.747   8.3248   53.670   26.775   32.722   8.7589  187.084   52.896  155.474   22.395 31.61063 57.44121 
1 1 1   -7   21   14 o  258.758   16.108   88.325   10.743   37.590   27.897   97.159   11.641  158.838   55.296  271.270   16.647 -112.4323 57.74704 
1 1 1   -7   21   15 o  374.742   16.551  185.031   16.066  131.400   31.256  204.288   18.730  300.927   41.179  392.973   18.400 -92.04584 45.10297 
1 1 1   -7   21   16 o   83.344   37.086  -2.9339   16.117  -8.7400   23.555   2.1770   22.100   94.457   43.155  102.274   44.534 -7.817177 62.01318 
1 1 1   -7   21   17 o  131.823   31.064   25.050   10.433   24.240   27.272   25.189   11.292  134.996   53.134  131.515   33.156 3.480942 62.63051 
1 1 1   -7   21   18 o   66.007   28.447   0.2752   8.8323   19.280   24.222  -2.6394   9.4854  124.392   49.717   63.432   28.322 60.96061 57.21780 
1 1 1   -7   21   19 o   88.959   32.177   10.077   9.5258   5.6910   20.994   11.214   10.689  101.851   43.876   93.475   34.044 8.376099 55.53449 
1 1 1   -7   21   20 o  142.803   26.223   28.984   9.3425   19.530   24.615   30.576   10.098  122.465   49.703  146.054   27.705 -23.58965 56.90313 
1 1 1   -7   21   21 o   71.064   28.105   4.7342   7.6641  -7.4150   24.486   6.0537   8.0695   93.512   43.187   75.358   29.118 18.15364 52.08599 
1 1 1   -7   21   22 o  171.000   21.246   40.427   9.2078   13.370   24.829   44.742   9.9149  112.767   48.126  179.745   21.737 -66.97820 52.80676 
1 1 1   -7   21   23 o  124.692   28.522   23.007   9.0122   4.8660   24.928   25.734   9.6660  102.797   45.904  131.738   29.102 -28.94076 54.35205 
1 1 1   -7   21   24 o  162.182   21.223   36.757   8.7020   19.950   25.361   39.000   9.2644  117.403   49.301  166.685   21.994 -49.28148 53.98421 
1 1 1   -7   21   25 o   70.952   28.780   4.6310   8.2483   0.0000   0.0000   4.6310   8.2483  ?   ?    70.952   28.780 0.000000 28.78035 
1 1 1   -7   21   26 o   91.376   30.906   12.596   8.6977  -4.9170   24.221   15.188   9.3193   89.190   41.778   98.757   31.942 -9.567291 52.59034 
1 1 1   -7   21   27 o   63.617   25.695   3.8121   6.5441   36.830   20.378   0.0155   6.9101  135.340   47.251   56.370   24.714 78.96964 53.32403 
1 1 1   -7   21   28 o   64.154   29.792  -4.7694   11.892  -4.9030   16.556  -4.6270   17.092   74.288   34.716   75.524   35.287 -1.236229 49.50063 
1 1 1   -7   21   29 o   77.204   25.881   8.9388   6.0989   13.157   9.1807   5.6064   8.1596   90.322   31.705   70.602   28.630 19.72009 42.71868 
1 1 1   -7   21   30 o   68.402   26.121   6.1801   6.4424   11.224   11.457   3.8478   7.7908   85.758   34.221   65.424   27.391 20.33404 43.83276 
1 1 1   -7   21   31 o   62.582   25.601   4.0290   6.5949   11.434   10.368  -1.0030   8.5468   84.633   32.920   58.290   26.381 26.34314 42.18626 
1 1 1   -7   21   32 o   37.261   18.436 -12.7443   6.5923  -2.4140   10.293 -19.9286   8.5838   60.508   27.964   39.606   19.825 20.90247 34.27863 
1 1 1   -7   21   33 o   68.171   28.744   5.2756   8.6780  -9.0992   10.826   31.110   14.514   54.242   26.110  120.031   39.920 -65.78856 47.70007 
1 1 1   -7   21   34 o   42.421   20.809 -11.5087   7.8114 -13.2371   9.7039  -8.3270   13.166   47.095   23.120   59.490   28.675 -12.39454 36.83482 
1 1 1   -7   21   35 o   61.074   27.322   2.1792   8.8738  -4.5869   11.497   12.150   13.956   58.270   27.738   80.681   35.254 -22.41060 44.85760 
1 1 1   -7   21   36 o   46.434   22.548  -8.5114   8.5273   7.4810   14.463 -17.0329   10.557   73.125   33.560   45.701   22.735 27.42488 40.53520 
1 1 1   -7   21   37 o   56.926   26.259   0.4558   9.0122   0.1872   11.877   0.8203   13.836   61.380   28.910   64.439   30.603 -3.059860 42.09945 
1 1 1   -7   21   38 o   59.723   28.921  -3.3768   13.779  -9.5680   20.363   1.8530   18.715   63.055   31.401   67.659   32.978 -4.603989 45.53659 
1 1 1   -7   21   39 o   72.394   29.218   10.862   8.4556   15.001   11.279   5.5517   12.777   78.002   32.822   65.234   30.489 12.76757 44.79820 
1 1 1   -7   21   40 o   80.926   30.955   15.748   9.0568   20.892   12.371   9.8054   13.296   83.896   34.767   67.972   31.543 15.92407 46.94388 
1 1 1   -7   21   41 o  112.978   31.313   29.254   9.4813   23.501   13.839   34.342   13.016   81.229   35.306  103.499   37.586 -22.27041 51.56725 
1 1 1   -7   22    1 o  115.470   32.187   18.505   9.9880  -7.0864   14.804   39.889   13.532   76.540   34.672  169.672   31.962 -93.13218 47.15653 
1 1 1   -7   22    2 o  486.505   12.332  308.371   15.541  307.398   23.014  309.187   21.070  483.998   18.357  485.938   16.739 -1.939880 24.84278 
1 1 1   -7   22    3 o  226.602   21.358   68.274   12.389  102.000   22.869   54.265   14.739  273.068   33.000  199.378   29.422 73.69008 44.21201 
1 1 1   -7   22    4 o  798.640   13.856  832.513   28.663  894.500   51.804  805.162   34.411  821.237   24.353  783.911   16.946 37.32581 29.66862 
1 1 1   -7   22    5 o  533.794   16.927  373.437   23.405  392.200   34.420  357.300   31.921  543.573   24.446  519.185   23.736 24.38739 34.07322 
1 1 1   -7   22    6 o  299.331   22.238  119.124   17.120  131.700   25.497  108.800   23.102  310.603   32.156  282.027   32.200 28.57614 45.50680 
1 1 1   -7   22    7 f  603.151   14.056  475.340   21.960  497.122   28.339  442.600   34.743  615.195   17.784  577.640   23.220 37.55566 29.24788 
1 1 1   -7   22    8 o  187.626   23.348   47.419   11.102   50.377   17.230   45.319   14.518  188.660   36.577  180.346   32.261 8.314362 48.77189 
1 1 1   -7   22    9 o  319.141   15.660  133.521   12.946  138.326   19.320  129.605   17.440  321.700   23.343  311.999   21.715 9.701416 31.88192 
1 1 1   -7   22   10 o  125.305   33.791   22.302   11.219   3.9534   17.306   35.601   14.734   96.283   40.594  157.395   36.798 -61.11108 54.78988 
1 1 1   -7   22   11 o  437.480   13.595  250.481   15.406  245.807   23.001  254.283   20.747  430.477   20.627  438.965   18.246 -8.487488 27.53912 
1 1 1   -7   22   12 o  196.940   25.784   53.057   12.838   62.010   23.766   49.369   15.255  202.562   46.304  186.952   32.691 15.61002 56.68145 
1 1 1   -7   22   13 o  231.389   16.872   71.021   10.043   63.950   28.140   72.053   10.751  200.120   53.323  232.705   17.974 -32.58493 56.27132 
1 1 1   -7   22   14 o  153.005   32.604   33.714   12.527   9.2420   21.487   46.314   15.418  109.277   45.597  179.051   34.494 -69.77431 57.17404 
1 1 1   -7   22   15 o  252.089   17.650   84.747   11.453   98.920   27.896   81.874   12.560  255.337   43.751  246.841   19.810 8.495911 48.02729 
1 1 1   -7   22   16 o   45.275   22.023 -13.5554   8.2287  -3.2560   23.966 -14.9319   8.7613   98.405   44.388   46.210   22.532 52.19510 49.77935 
1 1 1   -7   22   17 o   84.985   31.691   8.6268   9.3557 -31.1800   21.738   17.677   10.365   72.980   35.565  109.913   33.429 -36.93272 48.80945 
1 1 1   -7   22   18 o  128.330   31.320   24.330   10.320   28.690   26.328   23.538   11.217  135.496   52.528  125.275   33.792 10.22141 62.45847 
1 1 1   -7   22   19 o   91.116   29.758   11.726   8.0788   15.540   25.773   11.310   8.5076  117.282   49.498   90.249   30.566 27.03292 58.17482 
1 1 1   -7   22   20 o  100.158   30.414   14.750   8.5844   23.190   23.939   13.505   9.1960  124.201   49.496   96.643   31.758 27.55859 58.80859 
1 1 1   -7   22   21 o  129.059   25.275   23.994   8.1470   26.970   20.478   23.434   8.8800  127.547   47.017  126.225   27.901 1.322403 54.67298 
1 1 1   -7   22   22 o   96.545   27.198   13.764   7.0921 -11.7600   18.356   18.243   7.6892   75.985   35.835  111.087   26.988 -35.10181 44.86147 
1 1 1   -7   22   23 o  114.744   27.622   19.710   8.1109   16.310   19.656   20.407   8.9043  107.679   44.141  115.799   29.579 -8.119797 53.13507 
1 1 1   -7   22   24 o   87.220   31.777   10.804   9.3148   0.0000   0.0000   10.804   9.3148  ?   ?    87.220   31.777 0.000000 31.77724 
1 1 1   -7   22   25 o  107.080   27.050   17.491   7.5054   35.220   18.908   14.175   8.1772  135.476   45.569   95.613   29.801 39.86236 54.44862 
1 1 1   -7   22   26 o   84.637   29.292   10.799   7.8228  -9.4040   21.011   14.050   8.4288   78.875   37.533   94.291   30.365 -15.41576 48.27816 
1 1 1   -7   22   27 o   70.270   32.698  -4.1704   14.442  -5.3460   23.242  -3.4310   18.433   83.470   39.648   78.175   36.564 5.294403 53.93391 
1 1 1   -7   22   28 o  126.694   26.842   25.132   8.5351   19.550   24.342   25.915   9.1137  102.844   45.679  127.439   28.341 -24.59483 53.75672 
1 1 1   -7   22   29 o   48.725   22.707  -4.1104   7.0067 -22.7100   22.191  -2.0507   7.3844   69.683   34.356   53.156   24.238 16.52726 42.04509 
1 1 1   -7   22   30 o   48.367   22.940  -6.2104   7.7243 -24.2800   17.325  -1.7275   8.6294   59.859   29.666   57.192   26.126 2.667015 39.53025 
1 1 1   -7   22   31 o  160.077   23.521   39.375   9.4619   51.090   22.433   36.840   10.436  137.302   49.419  150.251   27.839 -12.94904 56.72036 
1 1 1   -7   22   32 o  140.297   22.102   30.141   7.7662   23.208   11.275   36.399   10.712  108.495   35.140  146.368   29.277 -37.87292 45.73777 
1 1 1   -7   22   33 f   42.350   20.539  -8.3853   7.0162 -13.6202   9.9688  -3.2467   9.8765   47.383   23.296   56.711   26.601 -9.328102 35.36009 
1 1 1   -7   22   34 o   45.760   21.881  -5.8382   7.3251  -5.7467   11.000  -5.9110   9.8188   55.819   26.724   52.897   25.305 2.922249 36.80325 
1 1 1   -7   22   35 o   99.271   35.536   22.848   11.585   40.560   16.080   3.7370   16.704  121.647   42.002   70.562   33.544 51.08499 53.75291 
1 1 1   -7   22   36 o   65.929   30.467   4.5032   12.216   4.5032   12.216   0.0000   0.0000   65.929   30.467  ?   ?  0.000000 30.46749 
1 1 1   -7   22   37 o   56.625   27.793  -7.6692   14.002   4.8070   23.218 -14.8000   17.553   70.365   34.776   57.427   28.686 12.93829 45.08071 
1 1 1   -7   22   38 o   48.579   23.242  -3.7214   8.2880  -6.7626   11.796  -0.7563   11.647   52.909   25.873   57.552   27.539 -4.642883 37.78653 
1 1 1   -7   22   39 o   42.240   21.006 -12.5009   8.9799 -11.1466   13.000 -13.7368   12.419   51.037   25.363   48.672   24.284 2.365501 35.11373 
1 1 1   -7   22   40 o   75.644   29.840   14.329   8.6195  -1.4982   11.185   37.471   13.525   53.711   26.021  106.317   38.359 -52.60651 46.35197 
1 1 1   -7   22   41 o   60.302   28.207   7.5856   10.974 -10.8300   21.637   13.964   12.733   55.564   28.237   66.739   30.935 -11.17464 41.88464 
1 1 1   -7   23    1 o  195.891   24.214   51.847   12.025   44.440   15.957   61.580   18.293  176.854   36.056  209.471   34.945 -32.61742 50.21144 
1 1 1   -7   23    2 o  392.656   15.354  202.047   15.616  186.976   20.014  225.500   24.968  375.423   20.661  410.967   23.552 -35.54327 31.33017 
1 1 1   -7   23    3 o  291.828   15.365  111.923   11.574  126.633   17.687  100.908   15.305  308.060   22.316  275.070   21.656 32.99023 31.09660 
1 1 1   -7   23    4 o  253.818   16.409   84.947   10.730   81.649   15.702   87.837   14.698  245.962   24.993  256.199   22.372 -10.23662 33.54348 
1 1 1   -7   23    5 o  396.262   13.541  205.370   13.899  207.350   20.187  203.584   19.165  396.029   19.679  392.751   18.839 3.278534 27.24225 
1 1 1   -7   23    6 o  571.017   12.322  425.865   18.225  407.788   26.206  442.798   25.363  556.024   18.195  580.133   16.878 -24.10962 24.81799 
1 1 1   -7   23    7 o  272.262   17.664   98.129   12.390  101.164   18.136   95.473   16.966  273.112   25.948  265.712   24.942 7.400635 35.99143 
1 1 1   -7   23    8 o  231.883   19.896   71.811   11.834   79.450   17.585   65.487   16.000  240.182   28.843  217.669   29.106 22.51306 40.97626 
1 1 1   -7   23    9 o  256.591   17.933   87.449   11.844   84.392   17.526   90.019   16.070  247.817   27.780  257.700   24.363 -9.883286 36.94978 
1 1 1   -7   23   10 o  234.036   20.125   73.419   12.082   97.122   19.099   57.606   15.600  265.368   28.218  202.560   30.693 62.80807 41.69256 
1 1 1   -7   23   11 o  101.051   35.444   13.491   11.472  -0.9275   16.948   25.685   15.586   87.511   38.527  131.643   41.162 -44.13198 56.37946 
1 1 1   -7   23   12 o  258.339   21.981   90.340   14.569   80.460   27.983   94.014   17.064  225.383   49.303  261.663   25.501 -36.27988 55.50776 
1 1 1   -7   23   13 o   45.236   21.544  -8.3528   6.9546   13.610   24.673 -10.2484   7.2485  117.548   48.939   44.386   21.365 73.16235 53.39885 
1 1 1   -7   23   14 o  224.137   17.941   67.403   10.329   80.270   27.139   65.224   11.170  223.161   48.346  219.616   19.849 3.544647 52.26207 
1 1 1   -7   23   15 o  120.500   26.579   20.814   8.0735   42.280   22.148   17.524   8.6701  159.232   48.950  109.606   29.768 49.62531 57.29055 
1 1 1   -7   23   16 o  157.281   26.802   35.255   10.528   40.820   26.896   34.248   11.441  152.422   54.191  153.353   29.876 -0.9308777 61.88036 
1 1 1   -7   23   17 o  127.603   29.355   23.957   9.5007   10.040   25.180   26.267   10.259  110.135   47.746  133.229   30.399 -23.09451 56.60170 
1 1 1   -7   23   18 f   54.412   24.796  -3.6717   7.7147   12.730   20.385  -6.4135   8.3346  106.805   44.476   53.006   24.724 53.79819 50.88575 
1 1 1   -7   23   19 o  225.433   16.830   68.619   9.7570   71.480   26.582   68.174   10.489  199.344   51.209  223.905   18.244 -24.56140 54.36162 
1 1 1   -7   23   20 o  104.257   30.648   16.438   8.8258   50.210   25.703   11.924   9.3971  161.183   53.101   91.432   32.078 69.75187 62.03791 
1 1 1   -7   23   21 o  190.054   19.012   49.799   9.2341   70.610   26.221   46.852   9.8661  193.251   51.463  182.970   21.210 10.28134 55.66285 
1 1 1   -7   23   22 o   87.740   30.385   11.238   8.4183   0.0000   0.0000   11.238   8.4183  ?   ?    87.740   30.385 0.000000 30.38484 
1 1 1   -7   23   23 o  164.048   25.197   39.512   10.365   0.0000   0.0000   39.512   10.365  ?   ?   164.048   25.197 0.000000 25.19701 
1 1 1   -7   23   24 o   50.194   23.397  -4.9501   7.4461 -41.7100   22.549  -0.4510   7.8886   64.916   32.440   58.734   26.049 6.181835 41.60411 
1 1 1   -7   23   25 o  117.147   27.125   21.326   8.0686   39.040   23.558   18.971   8.5880  130.660   49.938  108.609   29.681 22.05068 58.09267 
1 1 1   -7   23   26 o   88.010   37.404   10.463   14.885 -13.5000   23.986   25.470   18.982   78.374   38.002  111.377   44.172 -33.00266 58.26970 
1 1 1   -7   23   27 o   97.632   29.845   15.867   8.2465   33.370   23.074   13.304   8.8297  117.011   47.879   89.602   31.113 27.40979 57.09994 
1 1 1   -7   23   28 o   75.803   29.008   8.5002   7.9553   12.710   19.656   7.6756   8.6996   91.050   40.703   74.607   29.804 16.44324 50.44785 
1 1 1   -7   23   29 o  175.032   19.517   44.684   8.6979   30.710   18.071   48.898   9.9229  114.131   43.710  180.979   21.593 -66.84808 48.75264 
1 1 1   -7   23   30 o  158.417   21.656   37.929   8.6540  -0.7295   22.588   44.579   9.3688   79.041   37.961  172.036   21.493 -92.99562 43.62313 
1 1 1   -7   23   31 o   59.920   26.017   2.6113   7.4989   60.150   22.888  -4.3078   7.9370  143.288   50.074   50.393   23.704 92.89537 55.40127 
1 1 1   -7   23   32 o   66.257   28.336   5.2648   8.6402  -0.2799   17.692   7.0015   9.9013   71.367   34.092   70.943   30.337 0.4238892 45.63531 
1 1 1   -7   23   33 o   72.149   29.887   8.6924   9.1365   12.330   22.527   7.9762   9.9955   80.619   38.500   71.302   30.485 9.317047 49.10800 
1 1 1   -7   23   34 o   66.756   27.608   7.1157   7.7781   10.200   11.276   4.3158   10.743   73.890   31.992   64.957   29.470 8.932465 43.49687 
1 1 1   -7   23   35 o   71.731   30.060   9.9614   9.3968   19.769   11.748  -7.4550   15.656   88.538   34.866   59.532   29.254 29.00650 45.51290 
1 1 1   -7   23   36 o   84.057   32.584   17.082   10.130   21.928   12.780   8.8910   16.615   88.034   35.783   69.988   33.324 18.04581 48.89663 
1 1 1   -7   23   37 o   73.674   33.010   14.115   13.007   18.720   18.996   10.050   17.847   75.177   35.748   69.185   33.358 5.991325 48.89447 
1 1 1   -7   23   38 o   64.457   29.341   8.0691   10.764   5.4050   12.962   13.990   19.323   62.373   29.622   69.432   33.768 -7.058823 44.91865 
1 1 1   -7   23   39 o   47.164   22.703  -3.0173   8.1851   7.2195   10.761 -17.0720   12.609   61.551   28.498   46.032   23.175 15.51865 36.73151 
1 1 1   -7   23   40 o   54.781   25.779   3.6319   9.4060   1.5467   13.489   5.6053   13.123   55.766   27.353   58.485   28.298 -2.719559 39.35661 
1 1 1   -7   24    1 o  404.734   13.360  214.650   14.007  218.726   20.385  211.005   19.279  405.961   19.385  399.091   18.649 6.870453 26.89948 
1 1 1   -7   24    2 o  171.939   24.132   40.441   10.452   37.025   16.367   42.793   13.581  158.000   39.964  174.028   31.278 -16.02820 50.74867 
1 1 1   -7   24    3 o  262.160   17.259   91.168   11.654   99.023   18.271   85.780   15.133  269.061   26.563  251.749   23.477 17.31192 35.45016 
1 1 1   -7   24    4 o  279.010   16.878  103.157   12.141  104.005   18.626  102.530   16.009  275.747   26.400  275.711   22.615 0.3607178E-01 34.76201 
1 1 1   -7   24    5 o  265.275   17.783   93.577   12.149   87.811   18.219   98.193   16.302  251.939   28.414  269.150   23.622 -17.21130 36.95083 
1 1 1   -7   24    6 o  169.301   26.484   39.813   11.234   45.211   16.812   35.460   15.099  174.935   38.174  154.651   37.971 20.28442 53.84305 
1 1 1   -7   24    7 o  138.617   30.991   27.627   10.848   31.373   17.092   25.099   14.039  143.667   42.757  130.127   38.756 13.53958 57.70748 
1 1 1   -7   24    8 o  274.357   17.244  100.195   12.192  104.854   18.500   96.618   16.211  275.945   26.196  266.208   23.759 9.736633 35.36494 
1 1 1   -7   24    9 o  307.741   15.867  125.591   12.605  129.734   17.779  121.404   17.874  309.297   22.341  298.574   23.296 10.72354 32.27735 
1 1 1   -7   24   10 o  321.290   19.397  138.681   16.067  130.600   31.155  141.609   18.753  293.265   42.230  322.639   22.582 -29.37421 47.88858 
1 1 1   -7   24   11 o  229.721   27.248   73.976   15.898   70.940   24.679   76.130   20.784  210.571   46.490  226.508   36.679 -15.93637 59.21658 
1 1 1   -7   24   12 o  210.505   23.501   61.224   12.596   56.928   18.563   64.889   17.148  193.398   38.408  211.201   32.378 -17.80237 50.23458 
1 1 1   -7   24   13 f  256.236   21.789   89.950   14.325   64.060   23.395  105.479   18.118  197.555   46.491  274.711   25.762 -77.15552 53.15197 
1 1 1   -7   24   14 o  187.248   20.288   48.032   9.6829   36.370   26.834   49.778   10.382  144.287   53.697  190.051   21.466 -45.76431 57.82901 
1 1 1   -7   24   15 o   94.010   30.934   12.698   8.7238   36.920   23.323   8.7579   9.4067  144.936   50.553   84.300   31.710 60.63596 59.67535 
1 1 1   -7   24   16 o   88.655   32.006   10.622   9.4181  -4.2430   24.497   13.200   10.202   94.389   43.450   96.026   33.439 -1.637070 54.82760 
1 1 1   -7   24   17 o   54.929   25.025  -3.5175   7.8503   4.0490   25.975  -4.2781   8.2354  102.656   46.267   55.278   25.352 47.37845 52.75781 
1 1 1   -7   24   18 o  190.633   19.657   50.168   9.5671   26.630   25.874   53.895   10.297  125.239   50.910  197.152   20.461 -71.91243 54.86816 
1 1 1   -7   24   19 f  276.322   14.473  102.414   10.323   54.210   21.871  116.231   11.709  172.281   47.483  293.721   15.444 -121.4400 49.93174 
1 1 1   -7   24   20 o  232.781   22.809   76.942   13.576   34.070   23.690   97.908   16.567  131.881   50.155  260.728   24.830 -128.8469 55.96509 
1 1 1   -7   24   21 f  197.877   22.068   55.787   11.119   0.0000   0.0000   55.787   11.119  ?   ?   197.877   22.068 0.000000 22.06797 
1 1 1   -7   24   22 o  119.801   28.614   22.358   8.7576   26.750   24.335   21.705   9.3864  116.789   48.610  116.576   30.671 0.2131882 57.47753 
1 1 1   -7   24   23 f  100.292   27.212   15.722   7.2491 -10.8500   22.904   18.680   7.6419   79.923   38.342  109.536   27.086 -29.61313 46.94416 
1 1 1   -7   24   24 o  131.477   24.552   26.180   8.0541   5.7450   22.277   29.253   8.6385   89.842   41.386  138.836   24.937 -48.99382 48.31832 
1 1 1   -7   24   25 o   92.119   37.062   14.251   13.558   9.5620   20.623   17.820   17.992   90.239   40.896   98.556   41.463 -8.317429 58.23835 
1 1 1   -7   24   26 o   58.999   26.042   0.8439   7.7923   1.0760   17.450   0.7861   8.7089   77.694   36.083   61.382   27.290 16.31260 45.24086 
1 1 1   -7   24   27 o   96.847   29.653   16.071   8.1372   39.070   17.394   9.6274   9.2068  131.475   43.701   78.839   30.923 52.63576 53.53464 
1 1 1   -7   24   28 o   52.121   24.241  -3.3561   7.9202 -25.4300   21.341   0.1698   8.5293   64.898   32.291   58.997   26.558 5.901516 41.80980 
1 1 1   -7   24   29 o   80.157   29.106   10.928   7.8053 -13.8500   22.201   14.423   8.3375   70.268   34.590   89.719   30.259 -19.45171 45.95742 
1 1 1   -7   24   30 o   43.882   21.326  -9.1687   7.6697 -32.5600   21.330  -5.6953   8.2194   60.191   30.283   49.312   23.468 10.87898 38.31214 
1 1 1   -7   24   31 o   57.781   25.592   1.9731   7.5886   2.8620   17.444   1.7656   8.4279   72.527   34.420   59.256   26.559 13.27081 43.47582 
1 1 1   -7   24   32 o   86.562   29.006   14.335   7.6603   10.410   22.704   14.840   8.1375   77.981   37.605   87.053   29.889 -9.071999 48.03658 
1 1 1   -7   24   33 o   65.285   28.221   6.3100   8.7458   0.0000   0.0000   6.3100   8.7458  ?   ?    65.285   28.221 0.000000 28.22092 
1 1 1   -7   24   34 o   62.742   27.789   5.4201   8.9467 -16.6100   20.436   10.643   9.9510   59.656   29.963   72.067   30.604 -12.41075 42.83010 
1 1 1   -7   24   35 o   64.717   30.234   5.8537   12.543 -15.7200   23.925   14.030   14.729   61.245   30.966   73.586   33.806 -12.34079 45.84494 
1 1 1   -7   24   36 o   73.794   30.557   13.064   9.5450  -6.7290   21.354   18.006   10.670   61.193   30.721   81.705   32.877 -20.51227 44.99594 
1 1 1   -7   24   37 o   58.061   25.433   5.3470   7.3041   8.4713   10.288   2.1718   10.371   64.152   28.997   56.582   26.761 7.570408 39.45857 
1 1 1   -7   24   38 o   63.356   29.038   9.3046   10.779   7.6622   13.221   12.560   18.614   61.716   29.479   64.985   31.927 -3.269558 43.45495 
1 1 1   -7   24   39 o   49.525   24.148  -2.0634   10.062  -5.7014   11.688   8.3530   19.778   49.017   24.306   60.185   30.121 -11.16872 38.70469 
1 1 1   -7   25    1 o   94.951   33.503   11.902   10.262   1.4726   15.643   19.780   13.596   86.705   37.611  116.611   38.630 -29.90627 53.91557 
1 1 1   -7   25    2 o   69.148   29.956   0.0951   9.8970 -12.2670   15.358   8.8749   12.943   70.650   33.149   92.662   36.562 -22.01204 49.35233 
1 1 1   -7   25    3 o  299.945   15.695  119.385   12.152  112.015   17.599  126.100   16.800  285.992   23.978  305.206   21.385 -19.21429 32.12869 
1 1 1   -7   25    4 f  293.363   16.476  114.553   12.469  102.320   18.356  125.033   16.991  271.519   26.435  303.549   21.754 -32.02957 34.23484 
1 1 1   -7   25    5 o  314.934   15.856  131.790   12.893  123.997   19.270  138.106   17.348  299.875   25.037  319.348   21.091 -19.47321 32.73652 
1 1 1   -7   25    6 f  268.393   17.239   96.333   11.922   80.241   17.010  111.868   16.714  238.753   28.039  286.066   22.743 -47.31297 36.10292 
1 1 1   -7   25    7 o  107.133   37.170   16.340   12.600   38.360   24.307   8.2488   14.735  151.034   51.663   94.043   38.345 56.99104 64.33855 
1 1 1   -7   25    8 f  112.962   42.775   17.582   17.184   50.130   26.405  -6.3320   22.633  168.753   53.682   91.686   42.042 77.06718 68.18575 
1 1 1   -7   25    9 o  131.542   37.088   26.648   13.182   27.488   17.163   25.440   20.586  131.541   43.394  127.914   47.144 3.626518 64.07454 
1 1 1   -7   25   10 f  177.780   27.105   45.102   12.087   36.245   17.986   52.396   16.323  148.779   43.756  186.459   35.083 -37.68007 56.08345 
1 1 1   -7   25   11 o  288.427   17.159  111.896   12.762  122.769   18.900  102.786   17.301  296.289   24.856  270.904   24.935 25.38492 35.20734 
1 1 1   -7   25   12 o  169.742   27.681   41.640   11.751   43.092   18.535   40.664   15.196  161.128   43.425  161.307   37.138 -0.1796112 57.13984 
1 1 1   -7   25   13 o   74.764   31.504   3.3377   10.415  -8.7064   14.083   17.875   15.472   68.786   32.102  109.671   40.782 -40.88559 51.90077 
1 1 1   -7   25   14 o  189.626   22.428   50.345   10.803   55.300   26.823   49.385   11.803  169.082   54.139  186.074   25.130 -16.99268 59.68726 
1 1 1   -7   25   15 o  241.979   18.248   79.906   11.354   87.880   27.965   78.333   12.424  221.020   50.015  238.124   20.337 -17.10304 53.99117 
1 1 1   -7   25   16 o  172.220   21.648   41.693   9.4437   32.510   24.436   43.305   10.239  131.880   50.751  174.564   23.221 -42.68318 55.81070 
1 1 1   -7   25   17 o   86.192   29.874   10.721   8.1384   24.580   24.777   9.0449   8.6165  119.613   49.356   82.125   30.455 37.48793 57.99594 
1 1 1   -7   25   18 f  133.593   24.264   26.079   8.0872   41.290   25.048   24.309   8.5448  140.599   51.968  127.364   26.751 13.23463 58.44889 
1 1 1   -7   25   19 o   95.900   31.008   14.372   8.7828   0.0000   0.0000   14.372   8.7828  ?   ?    95.900   31.008 0.000000 31.00830 
1 1 1   -7   25   20 o  142.035   29.467   31.517   10.486   0.0000   0.0000   31.517   10.486  ?   ?   142.035   29.467 0.000000 29.46659 
1 1 1   -7   25   21 o   63.771   26.983   2.7889   7.6903   10.770   21.184   1.5775   8.2533   95.143   42.414   62.964   27.316 32.17884 50.44891 
1 1 1   -7   25   22 o  152.495   22.791   34.414   8.7266   16.170   19.438   39.020   9.7661   98.414   42.305  161.376   24.102 -62.96222 48.68926 
1 1 1   -7   25   23 o   60.438   28.134  -4.1299   10.707 -22.1200   18.153   5.4672   13.259   63.375   31.213   77.877   34.186 -14.50143 46.29148 
1 1 1   -7   25   24 o  100.594   35.362   18.722   11.422   14.670   17.500   21.730   15.077   92.423   39.936  103.661   39.871 -11.23843 56.43217 
1 1 1   -7   25   25 o   74.238   29.105   8.0644   8.1535   12.980   19.744   7.0537   8.9525   89.721   40.397   72.885   29.823 16.83619 50.21274 
1 1 1   -7   25   26 o   70.038   28.655   6.4416   8.2638   2.4380   20.969   7.1777   8.9916   80.028   37.910   72.538   29.809 7.490639 48.22581 
1 1 1   -7   25   27 f   67.132   27.664   5.7254   7.7708 -16.9900   21.725   9.0579   8.3213   68.265   33.720   75.430   29.450 -7.164795 44.76995 
1 1 1   -7   25   28 o   88.016   28.995   13.839   7.6638 -12.8500   22.144   17.471   8.1686   69.539   34.292   98.302   29.628 -28.76308 45.31810 
1 1 1   -7   25   29 o   42.345   20.698  -9.9730   7.5243 -22.9500   20.712  -8.0001   8.0760   62.152   31.063   46.071   22.269 16.08150 38.22083 
1 1 1   -7   25   30 o   46.172   22.090  -5.6751   7.4886   2.3920   17.840  -7.4006   8.2507   71.210   34.077   46.720   22.565 24.48965 40.87029 
1 1 1   -7   25   31 o   70.202   27.569   8.7215   7.3262   10.100   22.188   8.5529   7.7615   75.995   36.776   69.829   28.060 6.166214 46.25845 
1 1 1   -7   25   32 o   57.969   26.713   1.5953   9.2923   0.0000   0.0000   1.5953   9.2923  ?   ?    57.969   26.713 0.000000 26.71296 
1 1 1   -7   25   33 o   43.670   21.665 -12.7198   9.3322   5.2040   19.630 -17.9538   10.608   67.940   33.256   43.612   21.861 24.32875 39.79750 
1 1 1   -7   25   34 o   61.947   27.512   6.1725   8.8283   18.680   23.436   4.1041   9.5304   72.949   35.836   59.486   27.279 13.46299 45.03706 
1 1 1   -7   25   35 o   74.125   33.996   17.866   14.809   35.060   23.998   7.2920   18.819   78.596   38.086   65.259   32.069 13.33703 49.78948 
1 1 1   -7   25   36 o   49.645   23.429  -0.3137   7.8709  -4.6120   21.758   0.3335   8.4426   59.428   29.986   51.400   24.260 8.028034 38.57037 
1 1 1   -7   25   37 o   50.242   23.947   0.0050   8.6263   4.9360   23.477  -0.7646   9.2751   60.824   30.744   50.382   24.230 10.44168 39.14463 
1 1 1   -7   25   38 o   53.065   25.133   3.2759   9.2079  -4.3480   16.697   6.6075   11.038   53.247   26.790   57.338   27.261 -4.091015 38.22135 
1 1 1   -7   26    1 o  322.742   14.993  138.334   12.534  125.804   17.837  150.555   17.617  302.071   22.968  332.557   20.551 -30.48615 30.82024 
1 1 1   -7   26    2 o  221.232   19.824   66.675   11.240   45.368   17.576   81.417   14.620  169.206   40.617  242.235   23.600 -73.02927 46.97537 
1 1 1   -7   26    3 o  245.978   21.406   83.016   13.503   65.790   25.833   89.492   15.839  194.740   50.712  253.356   24.438 -58.61621 56.29365 
1 1 1   -7   26    4 f  145.126   32.551   31.592   11.935   22.460   19.753   36.842   14.978  121.523   45.898  153.568   37.887 -32.04444 59.51533 
1 1 1   -7   26    5 o  147.084   38.768   34.224   14.979   66.080   24.096   14.160   19.123  197.642   47.628  107.754   43.781 89.88870 64.69341 
1 1 1   -7   26    6 o  304.145   20.396  126.403   15.976  133.073   20.353  115.700   25.783  307.391   25.801  275.276   37.104 32.11429 45.19308 
1 1 1   -7   26    7 o  216.375   21.661   64.748   11.977   47.346   16.628   83.516   17.267  173.660   38.019  240.968   28.197 -67.30807 47.33412 
1 1 1   -7   26    8 o  158.892   27.749   36.709   11.005   28.120   17.243   42.612   14.295  130.269   43.518  167.025   34.193 -36.75543 55.34441 
1 1 1   -7   26    9 o  206.923   22.717   59.860   11.976   49.628   17.666   68.561   16.291  175.515   39.776  216.119   29.901 -40.60323 49.76186 
1 1 1   -7   26   10 o  177.971   26.517   45.714   11.851   52.300   19.155   41.630   15.085  177.391   42.285  162.321   36.734 15.07031 56.01294 
1 1 1   -7   26   11 o   53.504   25.442  -9.7940   9.6223 -17.6874   14.736  -3.9260   12.705   62.412   30.147   69.745   31.798 -7.332638 43.81727 
1 1 1   -7   26   12 o   70.555   31.124   0.0862   11.114  -3.6527   17.771   2.4882   14.244   81.418   37.304   81.307   35.569 0.1103287 51.54366 
1 1 1   -7   26   13 o   83.310   34.496   6.6896   12.164   8.2867   15.873   4.4170   18.934   91.825   38.804   91.445   40.467 0.3793335 56.06568 
1 1 1   -7   26   14 o  102.353   40.682   15.285   16.134   30.430   24.894   4.3180   21.185  126.854   50.499   93.804   42.072 33.05023 65.72805 
1 1 1   -7   26   15 o   93.467   30.591   13.326   8.5356  -0.8311   24.699   15.246   9.0960   92.911   43.073   98.991   31.509 -6.079605 53.36739 
1 1 1   -7   26   16 o   51.444   23.976  -5.2493   7.8134   30.850   21.375 -10.8166   8.3943  125.546   47.667   47.262   22.810 78.28487 52.84346 
1 1 1   -7   26   17 o   99.239   30.564   15.620   8.6302   0.0000   0.0000   15.620   8.6302  ?   ?    99.239   30.564 0.000000 30.56380 
1 1 1   -7   26   18 o   72.306   30.410   4.6000   9.6734   0.0000   0.0000   4.6000   9.6734  ?   ?    72.306   30.410 0.000000 30.40997 
1 1 1   -7   26   19 o   98.203   27.105   15.169   7.1207   23.190   23.688   14.373   7.4660  108.567   46.687   95.064   28.251 13.50308 54.56945 
1 1 1   -7   26   20 o  149.309   21.475   32.665   8.0667   15.820   24.408   34.730   8.5470   99.134   44.749  153.482   22.139 -54.34796 49.92557 
1 1 1   -7   26   21 o  177.797   20.318   45.953   9.1894   64.790   26.537   43.386   9.7954  154.699   53.926  170.456   22.753 -15.75772 58.52932 
1 1 1   -7   26   22 o   78.541   32.994   8.2484   11.366   34.760   23.655   0.2908   12.960  114.552   47.824   69.667   31.897 44.88525 57.48472 
1 1 1   -7   26   23 f   55.095   24.628  -0.0609   7.1954   11.410   21.438  -1.5171   7.6385   88.477   40.698   54.087   24.658 34.38970 47.58551 
1 1 1   -7   26   24 o   56.911   25.313   0.6844   7.4999   19.800   21.103  -2.0791   8.0237   94.676   42.260   54.074   24.883 40.60209 49.04113 
1 1 1   -7   26   25 o   79.013   29.288   10.559   7.9674   12.200   22.154   10.315   8.5387   86.291   40.269   78.411   30.042 7.879890 50.24020 
1 1 1   -7   26   26 o   78.631   29.517   10.722   8.1426   32.420   22.763   7.5377   8.7196  102.630   44.929   71.391   29.348 31.23949 53.66476 
1 1 1   -7   26   27 o   49.744   23.368  -3.6222   7.6699   32.630   22.123  -8.5750   8.1771  100.620   44.165   45.848   22.221 54.77215 49.43943 
1 1 1   -7   26   28 o   41.952   20.503  -9.4913   7.3748  -0.2609   18.776 -11.1750   8.0193   70.393   34.008   42.634   20.948 27.75921 39.94203 
1 1 1   -7   26   29 o   51.592   23.736  -0.7140   7.2972 -30.3000   16.651   6.3193   8.1183   51.496   26.013   65.450   27.710 -13.95462 38.00671 
1 1 1   -7   26   30 o   76.103   28.521   11.411   7.5963   11.930   22.281   11.343   8.0804   75.076   36.454   75.428   29.140 -0.3520203 46.66909 
1 1 1   -7   26   31 o   66.168   29.025   7.6099   9.5430   0.0000   0.0000   7.6099   9.5430  ?   ?    66.168   29.025 0.000000 29.02542 
1 1 1   -7   26   32 o   63.902   28.787   6.8739   10.041 -11.3400   21.453   11.983   11.362   60.273   30.330   71.329   31.467 -11.05682 43.70490 
1 1 1   -7   26   33 o  100.631   31.785   24.059   9.2697 -29.4200   21.977   35.632   10.224   54.039   27.555  127.928   31.144 -73.88898 41.58439 
1 1 1   -7   26   34 o   67.041   31.924   12.320   15.255   5.2190   23.904   17.200   19.815   63.739   32.067   69.103   33.737 -5.363560 46.54550 
1 1 1   -7   26   35 o   41.263   20.375  -8.4134   7.9102 -24.2100   18.372  -4.8187   8.7641   50.069   25.500   46.158   22.513 3.911259 34.01610 
1 1 1   -7   26   36 o   54.573   25.604   3.9693   9.1586   12.350   23.483   2.4658   9.9463   61.695   31.132   53.552   25.576 8.143215 40.29107 
1 1 1   -7   26   37 o   45.976   22.273  -1.7587   8.1930 -19.3900   21.338   1.2901   8.8732   50.525   25.874   49.902   23.920 0.6228333 35.23671 
1 1 1   -7   27    1 o   98.265   37.595   13.234   13.360  -2.7474   16.783   40.890   22.077   80.939   36.764  149.595   49.209 -68.65611 61.42609 
1 1 1   -7   27    2 o   86.315   34.773   8.0678   11.952   13.005   15.680   1.2200   18.467  100.213   40.019   88.416   39.494 11.79680 56.22565 
1 1 1   -7   27    3 o   56.924   26.770  -8.2468   10.114   2.5344   15.348 -16.5211   13.446   84.058   36.843   59.752   28.846 24.30666 46.79215 
1 1 1   -7   27    4 o   59.788   29.329 -24.7305   15.521 -24.7305   15.521   0.0000   0.0000   59.788   29.329  ?   ?  0.000000 29.32895 
1 1 1   -7   27    5 o   65.644   28.986  -0.5011   9.6630  -0.6460   14.157  -0.3748   13.222   77.258   34.540   75.410   33.571 1.847931 48.16610 
1 1 1   -7   27    6 o   71.104   30.866   1.3876   10.550   24.112   16.121 -15.6376   13.954  120.315   42.026   61.677   29.677 58.63819 51.44773 
1 1 1   -7   27    7 o   89.499   33.567   10.904   10.526   13.126   16.902   9.4955   13.453  100.673   41.061   90.557   36.748 10.11597 55.10350 
1 1 1   -7   27    8 o  111.996   34.230   19.856   10.848   27.730   18.021   15.381   13.586  125.823   44.398  101.506   38.123 24.31715 58.51956 
1 1 1   -7   27    9 o  122.556   33.195   23.781   10.798   7.8042   16.837   34.944   14.074   92.170   39.490  146.011   37.128 -53.84096 54.20298 
1 1 1   -7   27   10 o  129.330   32.024   26.260   10.671   11.120   17.779   34.787   13.342   97.360   41.101  146.578   35.514 -49.21838 54.31932 
1 1 1   -7   27   11 o  233.312   20.051   75.944   12.000   80.560   18.314   72.472   15.885  228.787   31.760  220.190   28.522 8.596741 42.68680 
1 1 1   -7   27   12 o  243.623   22.776   84.763   14.206   68.432   18.538  108.000   22.112  205.156   36.207  262.247   33.302 -57.09087 49.19344 
1 1 1   -7   27   13 o  179.275   29.909   49.503   13.400   40.687   17.246   62.930   21.284  149.183   42.548  184.574   44.939 -35.39053 61.88530 
1 1 1   -7   27   14 o  116.023   32.100   21.905   9.9730   20.900   15.034   22.694   13.327  109.016   40.268  113.820   38.258 -4.804695 55.54430 
1 1 1   -7   27   15 o   59.779   29.038 -16.3495   14.173   0.0000   0.0000 -16.3495   14.173  ?   ?    59.779   29.038 0.000000 29.03750 
1 1 1   -7   27   16 o  116.126   30.039   21.853   9.1039   0.0000   0.0000   21.853   9.1039  ?   ?   116.126   30.039 0.000000 30.03888 
1 1 1   -7   27   17 o  147.261   23.528   32.423   8.6727   55.470   19.835   26.976   9.6433  165.198   45.092  129.188   29.469 36.00990 53.86784 
1 1 1   -7   27   18 o  102.644   29.304   17.427   8.1766   28.620   20.525   15.316   8.9145  112.620   45.498   95.199   31.268 17.42078 55.20662 
1 1 1   -7   27   19 o  180.223   18.826   46.689   8.6591   25.380   23.925   49.901   9.2888  104.751   45.954  185.594   19.619 -80.84224 49.96725 
1 1 1   -7   27   20 o  171.562   21.114   43.706   9.1851   36.130   24.416   44.955   9.9132  113.758   48.103  172.301   22.769 -58.54284 53.21990 
1 1 1   -7   27   21 o   86.729   34.327   13.417   11.442   12.660   23.202   13.661   13.153   89.274   41.510   87.291   35.983 1.983345 54.93468 
1 1 1   -7   27   22 o  119.523   27.722   24.008   8.4162   22.310   21.779   24.306   9.1251   96.045   42.897  117.929   29.846 -21.88385 52.25840 
1 1 1   -7   27   23 o   53.067   24.174  -0.9928   7.3234   7.7330   21.184  -2.1772   7.8046   81.692   38.517   52.744   24.367 28.94747 45.57785 
1 1 1   -7   27   24 o   55.472   25.205  -0.2434   7.8962   6.8050   21.858  -1.3012   8.4680   79.969   38.116   55.429   25.527 24.53974 45.87452 
1 1 1   -7   27   25 o   46.243   22.252  -7.0489   7.8476 -73.9600   21.874   2.8360   8.4073   49.346   25.333   61.089   27.003 -11.74300 37.02618 
1 1 1   -7   27   26 o   65.539   27.604   5.9664   7.9889 -27.7900   21.030   11.660   8.6364   59.588   29.991   78.575   30.187 -18.98639 42.55296 
1 1 1   -7   27   27 o   61.169   26.419   4.4296   7.6510   16.770   17.715   1.5999   8.4829   81.696   37.363   57.793   26.207 23.90300 45.63790 
1 1 1   -7   27   28 o   47.004   22.254  -3.4455   7.2065   14.440   16.603  -7.5973   7.9993   77.244   35.634   44.842   21.789 32.40225 41.76824 
1 1 1   -7   27   29 o   48.884   23.136  -2.6565   7.7746 -10.2400   21.708  -1.5406   8.3270   62.583   31.356   51.540   24.255 11.04351 39.64169 
1 1 1   -7   27   30 o   71.316   30.131   11.339   9.5671   0.0000   0.0000   11.339   9.5671  ?   ?    71.316   30.131 0.000000 30.13098 
1 1 1   -7   27   31 o   54.615   25.761   0.8010   9.4929   12.100   21.430  -1.9575   10.589   68.282   33.683   53.441   25.749 14.84009 42.39754 
1 1 1   -7   27   32 o   45.713   22.049  -3.8756   7.8161   3.9730   20.162  -5.2638   8.4792   62.557   31.169   45.871   22.323 16.68597 38.33779 
1 1 1   -7   27   33 o   63.500   30.760   9.9014   15.620   17.000   23.759   4.4970   20.731   66.044   33.048   61.290   30.698 4.754414 45.10555 
1 1 1   -7   27   34 o   40.512   20.259 -12.0902   8.8647   2.6100   22.139 -14.8971   9.6741   59.118   29.879   40.675   20.455 18.44340 36.20960 
1 1 1   -7   27   35 o   55.458   25.950   5.5214   9.3032   20.390   21.557   2.1185   10.313   63.101   31.560   52.528   25.334 10.57239 40.47098 
1 1 1   -7   27   36 o   55.661   26.066   7.1727   9.4172  -2.6320   23.958   8.9645   10.242   53.889   27.583   57.551   27.025 -3.662106 38.61527 
1 1 1   -7   28    1 o  196.590   21.827   54.652   10.927   50.841   15.610   58.313   15.301  178.527   35.007  195.032   31.350 -16.50468 46.99266 
1 1 1   -7   28    2 o   74.937   31.004   5.0162   9.8147   7.6475   16.159   3.4781   12.355   90.311   38.691   77.740   33.573 12.57100 51.22615 
1 1 1   -7   28    3 f   89.303   33.467   11.295   10.459   24.902   16.045   1.2405   13.793  119.437   41.915   77.522   34.410 41.91527 54.23017 
1 1 1   -7   28    4 f   61.522   27.840  -2.3954   9.5158  -0.5004   15.015  -3.6673   12.302   77.796   35.109   67.818   31.060 9.977989 46.87622 
1 1 1   -7   28    5 o   94.639   33.935   13.630   10.569   0.1397   16.037   23.987   14.051   80.351   36.271  118.245   39.276 -37.89333 53.46251 
1 1 1   -7   28    6 o  266.768   17.754   97.887   12.198  107.147   18.198   90.332   16.437  270.021   26.354  248.255   25.944 21.76576 36.98128 
1 1 1   -7   28    7 o  397.932   13.941  212.644   14.370  207.356   22.412  216.335   18.725  381.298   22.796  396.393   18.237 -15.09500 29.19281 
1 1 1   -7   28    8 o  185.585   23.131   49.765   10.878   34.678   16.416   61.578   14.526  137.593   42.116  201.454   28.643 -63.86041 50.93263 
1 1 1   -7   28    9 o  127.824   31.151   26.088   10.220   25.693   17.075   26.308   12.757  117.633   42.998  123.573   36.976 -5.939445 56.71070 
1 1 1   -7   28   10 o  194.303   22.426   54.525   11.080   60.496   17.522   50.547   14.302  189.344   37.053  177.881   32.226 11.46294 49.10676 
1 1 1   -7   28   11 o  306.901   19.233  132.260   15.213  111.751   19.174  167.100   24.991  271.118   27.692  328.223   29.717 -57.10547 40.61915 
1 1 1   -7   28   12 o   81.559   35.074   6.6331   13.370   6.4760   22.665   6.7170   16.557   92.051   42.159   85.882   37.932 6.168808 56.71145 
1 1 1   -7   28   13 o  116.303   40.240   25.902   14.763   35.490   22.096   18.170   19.842  124.563   48.168  101.465   43.155 23.09824 64.67284 
1 1 1   -7   28   14 o   91.446   35.318   13.855   11.868  -2.2330   15.880   34.210   17.862   73.776   34.316  126.752   44.239 -52.97557 55.98821 
1 1 1   -7   28   15 o  111.022   35.673   22.634   11.638   42.070   23.681   16.445   13.363  127.508   49.709   95.705   37.333 31.80312 62.16692 
1 1 1   -7   28   16 o   79.559   29.815   9.8789   8.3007  -2.1920   22.077   11.866   8.9580   80.354   38.302   84.867   31.126 -4.512566 49.35424 
1 1 1   -7   28   17 o  218.208   17.383   67.699   9.7437   46.860   21.786   72.910   10.894  133.549   48.607  224.709   18.891 -91.15981 52.14935 
1 1 1   -7   28   18 o  154.468   19.882   35.221   7.7705   21.810   19.715   37.688   8.4550   98.110   42.391  158.667   21.095 -60.55603 47.34948 
1 1 1   -7   28   19 o  129.162   33.746   31.101   11.415   49.950   21.599   23.797   13.446  133.461   48.424  105.344   38.210 28.11608 61.68377 
1 1 1   -7   28   20 o   64.315   28.420   3.0012   9.3060  -7.3760   21.693   5.3417   10.302   72.505   35.376   69.702   30.377 2.802605 46.62865 
1 1 1   -7   28   21 o   86.687   28.844   13.436   7.5771 -11.5200   22.014   16.790   8.0702   69.770   34.364   96.166   29.545 -26.39603 45.31885 
1 1 1   -7   28   22 o   52.820   23.900  -0.2016   7.0113   0.4266   21.075  -0.2798   7.4348   74.447   35.982   53.890   24.475 20.55726 43.51697 
1 1 1   -7   28   23 o   46.784   22.384  -5.9154   7.6901   6.2910   21.014  -7.8028   8.2633   76.836   36.826   46.611   22.529 30.22527 43.17031 
1 1 1   -7   28   24 o   72.458   28.966   9.2133   8.2242 -14.7800   21.654   13.258   8.8904   64.894   32.328   81.876   30.822 -16.98199 44.66610 
1 1 1   -7   28   25 o  106.959   29.063   21.768   8.2618   6.6150   20.062   24.863   9.0662   73.357   35.369  112.909   30.347 -39.55233 46.60341 
1 1 1   -7   28   26 o   43.410   20.973  -6.3420   7.1424 -44.4300   16.928   1.9076   7.8780   46.657   23.825   56.150   25.377 -9.492996 34.80862 
1 1 1   -7   28   27 o   52.843   24.157   0.9340   7.3946   18.800   19.181  -2.1850   8.0142   77.491   36.572   49.993   23.608 27.49810 43.52945 
1 1 1   -7   28   28 o   54.975   25.160   2.1045   8.0515  -8.7370   21.908   3.7976   8.6574   61.497   30.907   58.311   26.455 3.185928 40.68266 
1 1 1   -7   28   29 o   72.152   30.966   13.205   10.384   0.0000   0.0000   13.205   10.384  ?   ?    72.152   30.966 0.000000 30.96584 
1 1 1   -7   28   30 o   59.798   27.251   6.0022   9.3187   12.720   22.312   4.5828   10.256   66.278   32.984   58.555   27.350 7.722878 42.84807 
1 1 1   -7   28   31 o  119.458   28.158   30.205   8.5707   5.7490   18.788   36.632   9.6313   61.264   30.453  130.028   29.298 -68.76331 42.25806 
1 1 1   -7   28   32 o   56.205   27.879   0.6258   15.427   13.220   23.282  -9.2310   20.597   62.648   31.535   54.985   27.903 7.663891 42.10683 
1 1 1   -7   28   33 f   52.148   24.796   2.5132   9.1377  -7.3180   23.032   4.3498   9.9547   54.990   28.055   54.661   25.959 0.3280869 38.22262 
1 1 1   -7   28   34 o   44.509   21.728  -2.9695   8.2138   12.080   18.942  -6.4546   9.1153   58.447   29.284   43.308   21.473 15.13866 36.31325 
1 1 1   -7   28   35 o   64.728   28.736   15.188   9.6223   43.240   24.118   9.8774   10.494   63.975   32.189   56.893   26.912 7.082088 41.95682 
1 1 1   -7   29    1 o  170.278   24.941   43.074   10.675   38.540   15.977   46.730   14.347  145.029   40.809  168.715   34.004 -23.68613 53.11914 
1 1 1   -7   29    2 o  196.899   21.259   55.546   10.671   45.525   16.474   62.790   14.006  159.418   39.969  203.531   27.250 -44.11339 48.37436 
1 1 1   -7   29    3 o  130.697   31.550   27.712   10.559   16.032   16.300   36.157   13.861   99.469   40.419  144.461   36.907 -44.99183 54.73371 
1 1 1   -7   29    4 o  274.333   16.257  103.465   11.501  101.432   17.979  104.874   14.963  258.668   27.244  270.413   21.540 -11.74509 34.73046 
1 1 1   -7   29    5 o  153.627   27.454   36.316   10.524   39.396   16.128   34.032   13.888  145.369   41.036  138.486   37.703 6.883362 55.72626 
1 1 1   -7   29    6 o  225.014   19.560   71.741   11.287   89.418   17.533   59.231   14.750  240.104   28.764  193.245   30.476 46.85884 41.90614 
1 1 1   -7   29    7 o  180.749   24.322   48.711   11.099   34.812   16.656   59.809   14.884  132.669   42.682  193.464   30.729 -60.79494 52.59277 
1 1 1   -7   29    8 o  163.315   28.984   42.165   11.812   37.380   24.197   43.662   13.535  124.603   49.728  161.449   33.463 -36.84621 59.93896 
1 1 1   -7   29    9 o   88.698   36.486   11.852   13.488   25.730   21.146   2.3330   17.513  110.036   45.516   80.879   37.048 29.15713 58.68796 
1 1 1   -7   29   10 o  107.128   38.473   21.821   13.589   69.250   22.242  -6.4280   17.165  181.136   47.000   72.007   34.165 109.1290 58.10542 
1 1 1   -7   29   11 o   56.554   27.198 -10.4411   11.687 -22.7218   15.720   4.7370   17.476   57.861   28.600   81.910   37.325 -24.04841 47.02225 
1 1 1   -7   29   12 o   76.574   32.425   7.1263   11.119   4.5647   15.389   9.9240   16.082   78.520   35.480   85.616   37.615 -7.095909 51.70824 
1 1 1   -7   29   13 o  118.524   31.117   24.343   9.6749   4.2310   13.465   45.810   13.911   74.893   33.569  160.051   34.566 -85.15779 48.18364 
1 1 1   -7   29   14 o   80.401   30.788   10.532   8.9653   8.5028   14.104   11.907   11.613   80.447   35.288   84.239   34.157 -3.791420 49.11161 
1 1 1   -7   29   15 o   75.400   29.715   8.7682   8.5393   2.4721   11.420   16.752   12.860   68.211   30.717   92.421   36.452 -24.20992 47.66803 
1 1 1   -7   29   16 o   61.840   31.014 -31.3400   21.485 -31.3400   21.485   0.0000   0.0000   61.840   31.014  ?   ?  0.000000 31.01352 
1 1 1   -7   29   17 o  113.873   34.345   25.535   10.974   41.200   21.620   20.098   12.737  116.299   46.798   96.919   36.796 19.38031 59.53118 
1 1 1   -7   29   18 o   69.540   32.049   2.7849   13.381   14.340   17.582 -13.1200   20.628   84.932   38.192   67.213   33.136 17.71864 50.56264 
1 1 1   -7   29   19 o   42.419   21.020 -14.6864   8.6864 -12.5900   17.480 -15.3738   10.010   62.745   30.849   45.876   22.702 16.86860 38.30215 
1 1 1   -7   29   20 o   43.516   20.980  -6.9699   7.0572   8.4350   18.099  -9.7321   7.6638   77.140   36.128   42.860   20.937 34.27980 41.75610 
1 1 1   -7   29   21 o   43.052   20.750  -6.6434   6.8911 -32.8500   18.171  -2.2413   7.4475   53.673   27.120   50.296   23.430 3.377197 35.83895 
1 1 1   -7   29   22 o   79.076   29.019   11.996   7.7883   8.5020   18.647   12.735   8.5718   74.796   35.524   80.151   30.244 -5.354439 46.65449 
1 1 1   -7   29   23 o   69.002   28.025   8.3848   7.8318   1.6650   18.966   9.7662   8.5992   68.841   33.474   72.112   29.336 -3.270645 44.50952 
1 1 1   -7   29   24 o  108.663   27.701   22.333   7.8203   19.890   18.091   22.894   8.6724   80.702   37.218  106.175   30.133 -25.47287 47.88770 
1 1 1   -7   29   25 o  102.805   27.722   20.638   7.5509   7.3680   16.156   24.347   8.5412   68.105   32.546  109.463   29.470 -41.35773 43.90574 
1 1 1   -7   29   26 o   47.017   22.345  -2.7044   7.4006  -4.3050   18.876  -2.4137   8.0447   60.956   30.336   48.890   23.253 12.06640 38.22245 
1 1 1   -7   29   27 o   60.735   26.497   6.4878   7.8564   0.0000   0.0000   6.4878   7.8564  ?   ?    60.735   26.497 0.000000 26.49668 
1 1 1   -7   29   28 o   54.840   25.260   3.2348   8.2971   12.030   25.969   2.2349   8.7561   65.355   32.948   54.058   25.257 11.29729 41.51493 
1 1 1   -7   29   29 o   42.480   20.744  -5.6400   7.5046   15.100   22.696  -8.1860   7.9519   64.703   32.365   41.416   20.447 23.28756 38.28305 
1 1 1   -7   29   30 o   44.679   22.023  -6.4828   9.1012 -21.9400   17.990  -1.1659   10.551   49.217   25.082   51.008   24.840 -1.790485 35.30031 
1 1 1   -7   29   31 o  101.948   39.848   47.903   15.248   40.290   22.721   54.140   20.566   71.111   35.003   84.303   39.159 -13.19141 52.52233 
1 1 1   -7   29   32 o   52.686   24.368   4.7042   7.8394   3.6800   23.407   4.8336   8.3199   55.916   28.506   53.083   24.740 2.832642 37.74439 
1 1 1   -7   29   33 o   44.417   21.333  -0.4080   7.1363 -13.9600   20.393   1.4830   7.6180   49.230   25.218   47.217   22.505 2.013287 33.79911 
1 1 1   -7   29   34 o   71.709   29.594   19.193   8.9093   20.600   22.055   18.919   9.7394   55.800   28.372   67.995   29.586 -12.19553 40.99175 
1 1 1   -7   30    1 o  105.973   34.970   20.323   11.146   1.8470   18.995   30.024   13.764   81.179   37.683  124.912   38.620 -43.73328 53.95793 
1 1 1   -7   30    2 o  167.544   49.718   65.010   23.135   65.010   23.135   0.0000   0.0000  167.544   49.718  ?   ?  0.000000 49.71833 
1 1 1   -7   30    3 o  280.271   22.171  115.949   15.964  128.500   25.539  107.900   20.453  266.355   38.101  255.159   31.622 11.19621 49.51436 
1 1 1   -7   30    4 o  140.589   37.358   36.853   13.836   15.450   21.195   52.750   18.266   95.207   42.435  160.938   42.998 -65.73116 60.41118 
1 1 1   -7   30    5 o  114.022   39.067   25.973   13.899   10.610   22.261   35.790   17.794   90.642   41.612  126.519   44.155 -35.87684 60.67321 
1 1 1   -7   30    6 o   54.731   26.300  -9.6058   10.874 -20.9350   15.208   2.2480   15.556   57.320   28.295   76.053   34.867 -18.73246 44.90284 
1 1 1   -7   30    7 o   77.862   32.490   8.2599   10.910   0.6846   14.198   19.180   17.047   72.014   33.124   97.633   40.665 -25.61871 52.44852 
1 1 1   -7   30    8 o   82.464   31.868   11.152   9.6669  -8.7816   15.416   24.071   12.410   65.242   31.341  110.578   36.919 -45.33574 48.42802 
1 1 1   -7   30    9 o   78.754   31.628   9.6063   9.8540   11.050   14.651   8.4133   13.316   84.287   36.480   79.580   34.611 4.707344 50.28608 
1 1 1   -7   30   10 o   93.030   33.761   16.189   10.500   13.204   13.844   20.230   16.109   86.456   36.371   97.056   39.893 -10.60016 53.98445 
1 1 1   -7   30   11 o   94.365   35.061   17.442   11.431   12.621   14.985   24.150   17.678   85.167   36.878  100.779   41.646 -15.61269 55.62671 
1 1 1   -7   30   12 o  100.255   32.442   18.976   9.6121   37.391   14.929   5.9365   12.563  130.457   40.202   73.635   32.755 56.82243 51.85645 
1 1 1   -7   30   13 o   52.724   24.730  -3.7403   8.5341  -2.0916   12.758  -5.0752   11.481   64.076   30.112   58.639   27.857 5.436974 41.02138 
1 1 1   -7   30   14 o   46.611   22.535  -8.3905   8.2820  -4.1572   12.252 -11.9523   11.239   60.688   28.815   51.861   25.338 8.826973 38.37074 
1 1 1   -7   30   15 o   50.834   23.940  -3.9126   8.1397   1.7328   14.107  -6.7300   9.9658   68.755   32.101   52.782   25.314 15.97260 40.88140 
1 1 1   -7   30   16 o   60.139   29.189  -8.0885   14.245   8.3190   22.202 -19.5700   18.572   79.041   37.874   60.319   30.031 18.72124 48.33535 
1 1 1   -7   30   17 f   47.672   23.208  -9.4510   9.1909 -12.2000   20.224  -8.7354   10.318   65.243   32.284   51.248   24.866 13.99504 40.75004 
1 1 1   -7   30   18 o   64.133   27.083   5.5992   7.7238  -9.7110   16.297   10.035   8.7715   61.136   30.003   74.298   29.839 -13.16228 42.31468 
1 1 1   -7   30   19 o   58.447   25.736   3.0580   7.5651   27.210   17.363  -2.6011   8.4047   94.069   40.198   51.929   24.416 42.14029 47.03185 
1 1 1   -7   30   20 o   79.085   28.649   12.230   7.5555   25.560   17.141   9.0158   8.4174   90.296   39.269   70.537   28.897 19.75890 48.75569 
1 1 1   -7   30   21 o   75.490   28.277   11.228   7.4646   25.950   17.488   7.9481   8.2543   88.168   38.960   67.385   28.201 20.78290 48.09583 
1 1 1   -7   30   22 o   73.211   27.935   10.716   7.3641  -4.5950   17.293   14.108   8.1389   61.624   30.372   81.075   29.679 -19.45052 42.46513 
1 1 1   -7   30   23 f   87.939   28.776   16.361   7.5531  -3.5250   17.303   21.043   8.3952   60.927   30.095   98.825   30.092 -37.89848 42.55863 
1 1 1   -7   30   24 o   70.640   28.034   10.800   7.6500  -5.5310   17.149   14.857   8.5476   58.423   29.049   79.006   30.108 -20.58227 41.83709 
1 1 1   -7   30   25 f   42.532   20.704  -5.8684   7.3092 -19.7100   19.772  -3.6774   7.8664   53.963   27.379   46.135   22.219 7.827599 35.26074 
1 1 1   -7   30   26 o   65.854   29.137   10.760   9.8117   0.0000   0.0000   10.760   9.8117  ?   ?    65.854   29.137 0.000000 29.13687 
1 1 1   -7   30   27 o   53.491   25.277   2.4858   9.2158  -9.1600   22.951   4.7246   10.063   56.354   28.682   56.626   26.653 -0.2723312 39.15379 
1 1 1   -7   30   28 o   48.299   23.114  -0.3605   8.2117 -16.7800   22.677   2.1177   8.8097   53.163   27.182   51.785   24.543 1.378029 36.62267 
1 1 1   -7   30   29 o   49.902   24.003   0.8043   9.1105  -7.5700   20.196   2.9438   10.208   53.213   27.066   52.882   25.429 0.3311882 37.13791 
1 1 1   -7   30   30 o   37.394   18.903 -15.5821   8.8833 -14.0200   16.438 -16.2265   10.558   48.006   24.418   40.307   20.402 7.699032 31.81939 
1 1 1   -7   30   31 o   46.422   22.550  -0.2486   8.5509 -14.7700   22.940   2.0946   9.2150   49.960   25.663   49.212   23.787 0.7481689 34.99165 
1 1 1   -7   30   32 o   41.026   20.365  -5.2585   8.2910   4.4010   22.740  -6.7393   8.9038   51.971   26.622   41.010   20.477 10.96107 33.58650 
1 1 1   -7   30   33 o   55.061   25.410   10.162   8.4540  -0.7343   18.680   12.968   9.4804   48.320   24.702   57.350   26.621 -9.030067 36.31687 
1 1 1   -7   31    1 o  147.361   26.180   35.137   9.6269   33.184   14.356   36.733   12.977  124.094   39.594  137.874   35.962 -13.77913 53.48773 
1 1 1   -7   31    2 f  111.307   30.445   22.009   9.0313   28.431   14.428   17.872   11.581  113.137   39.745   95.054   35.295 18.08331 53.15458 
1 1 1   -7   31    3 o   62.407   27.665   2.0967   8.8869  -2.0251   12.976   5.7381   12.196   65.286   30.581   73.296   32.455 -8.010254 44.59240 
1 1 1   -7   31    4 o   63.290   27.538   3.2330   8.4376  -2.9178   12.835   7.9141   11.197   63.991   30.114   75.339   32.240 -11.34760 44.11607 
1 1 1   -7   31    5 o   61.935   27.717   1.6179   9.1409  -5.1904   13.804   6.9347   12.199   63.504   30.274   74.566   32.760 -11.06232 44.60711 
1 1 1   -7   31    6 o   92.395   31.082   15.785   8.7969   23.200   13.447   10.238   11.631  102.499   38.038   78.994   33.291 23.50435 50.54887 
1 1 1   -7   31    7 o  121.715   31.699   27.296   10.093   20.538   15.626   32.133   13.221   94.495   39.110  122.741   37.834 -28.24657 54.41509 
1 1 1   -7   31    8 o  195.007   20.979   57.925   10.430   53.064   15.273   62.173   14.278  162.766   37.057  188.095   30.338 -25.32896 47.89162 
1 1 1   -7   31    9 o  209.053   23.330   69.116   12.418   52.417   15.826   95.870   20.032  157.117   39.055  221.401   36.179 -64.28433 53.23698 
1 1 1   -7   31   10 o  100.785   34.276   21.114   10.698   26.491   13.940   13.410   16.687  105.200   38.791   82.669   37.188 22.53067 53.73732 
1 1 1   -7   31   11 f   56.484   25.994  -0.6021   8.7600   11.017   14.256  -7.6507   11.104   78.619   34.937   54.375   26.241 24.24405 43.69391 
1 1 1   -7   31   12 o  112.305   30.249   23.687   8.9966   23.815   13.467   23.584   12.090   98.918   37.769  101.604   36.310 -2.685982 52.39198 
1 1 1   -7   31   13 o   73.420   30.477   9.4086   9.5291   22.200   17.958   4.3949   11.243   89.557   39.532   66.760   30.231 22.79674 49.76618 
1 1 1   -7   31   14 o   72.797   32.797   8.3539   13.038   13.910   20.294   4.4490   17.013   79.992   37.711   71.443   33.931 8.549850 50.72942 
1 1 1   -7   31   15 o   50.340   24.402  -7.7057   9.8730  -5.7578   11.510 -13.1300   19.208   55.579   26.795   62.224   30.906 -6.645592 40.90452 
1 1 1   -7   31   16 o   72.260   28.707   9.6757   8.0296   3.5339   10.708   17.567   12.137   63.466   29.034   85.312   34.796 -21.84682 45.31783 
1 1 1   -7   31   17 o   48.812   22.833  -2.0469   7.1923   7.8380   17.282  -4.1176   7.9099   71.634   34.073   48.219   22.968 23.41524 41.09175 
1 1 1   -7   31   18 f   80.631   28.737   13.228   7.5677   12.450   16.020   13.452   8.5861   74.195   34.496   79.410   30.196 -5.214905 45.84513 
1 1 1   -7   31   19 f   74.835   28.675   11.582   7.7802   7.5110   16.241   12.795   8.8634   68.675   32.767   76.417   30.223 -7.741913 44.57686 
1 1 1   -7   31   20 f   70.212   28.204   10.134   7.8381  -2.5460   17.064   13.526   8.8241   61.319   30.212   76.950   30.244 -15.63106 42.74860 
1 1 1   -7   31   21 o   54.287   24.790   2.2910   7.7603   6.4840   16.895   1.1698   8.7364   65.308   31.718   54.268   25.312 11.03984 40.58040 
1 1 1   -7   31   22 o   36.974   18.448 -12.1961   7.1716 -14.7100   14.474 -11.3781   8.2563   50.459   25.326   40.660   20.207 9.798637 32.39992 
1 1 1   -7   31   23 o   48.475   22.825  -0.3588   7.3930   1.7160   17.121  -0.8343   8.1966   59.595   29.527   49.407   23.491 10.18748 37.73130 
1 1 1   -7   31   24 f   57.351   26.457   5.4552   9.1505   0.0000   0.0000   5.4552   9.1505  ?   ?    57.351   26.457 0.000000 26.45652 
1 1 1   -7   31   25 o   42.158   21.013 -10.2628   9.2048 -23.2900   21.371  -7.2956   10.199   51.259   26.223   45.899   22.750 5.360611 34.71600 
1 1 1   -7   31   26 o   56.124   25.615   6.2700   8.2722   4.4900   22.586   6.5457   8.8899   57.614   29.235   56.599   26.098 1.014812 39.18925 
1 1 1   -7   31   27 o   56.716   26.111   7.4012   8.8502   6.1750   22.906   7.6164   9.5954   56.716   28.846   56.907   26.538 -0.1905251 39.19593 
1 1 1   -7   31   28 f   63.454   28.668   13.922   10.043   2.9910   22.405   16.670   11.235   54.481   27.784   65.174   29.787 -10.69328 40.73371 
1 1 1   -7   31   29 o   42.058   21.116  -9.1060   10.099  -5.1680   18.322 -10.8247   12.104   50.006   25.468   43.792   22.128 6.214199 33.73806 
1 1 1   -7   31   30 o   40.462   20.249  -7.4404   8.9339   2.5140   20.410  -9.7998   9.9364   51.000   26.052   40.665   20.486 10.33529 33.14206 
1 1 1   -7   31   31 o   54.547   25.653   10.561   9.2875   4.4660   23.092   11.737   10.144   49.751   25.566   55.002   26.146 -5.251175 36.56784 
1 1 1   -7   32    1 o  211.600   19.572   67.780   10.606   74.976   15.901   62.012   14.235  201.963   31.415  184.461   30.884 17.50214 44.05399 
1 1 1   -7   32    2 o  235.920   17.890   82.280   10.851   92.820   16.644   74.488   14.310  230.415   28.495  208.921   27.080 21.49399 39.31008 
1 1 1   -7   32    3 o  114.677   31.223   25.175   9.5245   23.781   13.868   26.420   13.104   98.179   38.106  105.333   37.785 -7.154114 53.66324 
1 1 1   -7   32    4 o  151.120   25.102   37.981   9.4814   42.258   14.625   34.880   12.453  135.323   39.358  127.931   36.040 7.391579 53.36571 
1 1 1   -7   32    5 o  142.367   26.053   34.428   9.2535   10.011   13.073   58.950   13.100   75.839   33.590  182.581   28.642 -106.7426 44.14332 
1 1 1   -7   32    6 o  104.424   32.020   21.951   9.4841   22.568   14.449   21.484   12.571   93.765   38.072   94.957   36.435 -1.192451 52.69693 
1 1 1   -7   32    7 o   72.393   29.843   9.1388   9.0480   5.5489   13.668   11.939   12.072   70.156   32.353   77.767   33.382 -7.610527 46.48757 
1 1 1   -7   32    8 o   95.919   34.138   20.494   10.677   31.467   13.737   3.7520   16.967  111.608   38.805   70.653   33.650 40.95511 51.36275 
1 1 1   -7   32    9 o   70.829   30.767   8.3194   10.497   8.9430   13.563   7.3880   16.576   73.122   33.150   72.935   34.291 0.1875687 47.69482 
1 1 1   -7   32   10 o   74.104   31.938   10.479   11.135   19.330   22.796   7.7057   12.760   81.925   39.014   70.786   32.116 11.13823 50.53260 
1 1 1   -7   32   11 o   81.224   33.303   14.881   11.191   3.8510   20.779   19.389   13.283   71.346   34.769   86.834   36.009 -15.48831 50.05500 
1 1 1   -7   32   12 f   79.018   33.388   14.251   11.748  -1.0610   17.119   27.880   16.151   65.414   31.807   94.332   39.461 -28.91747 50.68378 
1 1 1   -7   32   13 o   54.091   25.266  -0.7280   8.7534  -1.7712   12.007   0.4553   12.788   58.638   28.032   61.678   29.329 -3.040039 40.57119 
1 1 1   -7   32   14 o   47.564   22.823  -4.8412   8.1251   10.976   11.048 -23.4715   11.991   72.469   31.522   44.380   22.376 28.08966 38.65643 
1 1 1   -7   32   15 o   49.378   23.374  -2.5308   7.9424  -2.9836   12.288  -2.2059   10.409   56.988   27.527   54.765   26.158 2.223095 37.97358 
1 1 1   -7   32   16 o  118.272   29.314   28.147   8.9353   25.021   12.668   31.241   12.605   92.445   36.268  105.851   37.151 -13.40582 51.91920 
1 1 1   -7   32   17 o   76.584   31.801   14.816   10.379   23.510   18.969   11.101   12.400   78.171   36.730   69.556   31.597 8.615379 48.45057 
1 1 1   -7   32   18 o   62.089   26.392   7.0326   7.4133  -2.7640   16.186   9.6333   8.3394   58.923   29.105   67.303   28.267 -8.380001 40.57250 
1 1 1   -7   32   19 o   70.856   28.328   11.548   7.8660   8.2580   16.650   12.493   8.9247   64.487   31.359   71.425   29.559 -6.937500 43.09416 
1 1 1   -7   32   20 o   63.610   27.147   8.7632   7.9003  -2.1790   17.243   11.670   8.8881   57.625   28.729   68.483   28.994 -10.85795 40.81663 
1 1 1   -7   32   21 o   48.542   22.811   0.3419   7.3200   3.7840   18.374  -0.3074   7.9806   59.493   29.660   48.885   23.224 10.60755 37.67020 
1 1 1   -7   32   22 o   40.594   20.285 -11.4208   8.8132   0.0000   0.0000 -11.4208   8.8132  ?   ?    40.594   20.285 0.000000 20.28492 
1 1 1   -7   32   23 o   54.248   26.124   3.6948   10.866   0.0000   0.0000   3.6948   10.866  ?   ?    54.248   26.124 0.000000 26.12370 
1 1 1   -7   32   24 o   44.170   21.705  -4.3384   8.6178   30.160   20.395 -11.8365   9.5083   66.142   32.671   40.808   20.489 25.33397 38.56422 
1 1 1   -7   32   25 o   44.803   21.983  -3.0589   8.7367 -20.9300   21.030   0.6690   9.6048   48.736   25.008   48.945   23.804 -0.2084084 34.52631 
1 1 1   -7   32   26 o   59.103   26.865   10.736   8.9814   39.280   22.581   5.3717   9.7890   64.043   32.071   52.469   25.144 11.57404 40.75274 
1 1 1   -7   32   27 o   51.325   25.838   3.4041   15.659   6.7010   23.103   0.6027   21.297   52.875   27.066   51.378   26.275 1.497173 37.72186 
1 1 1   -7   32   28 o   40.899   20.607  -8.9832   10.080 -17.9400   20.616  -6.1694   11.555   46.098   23.701   43.894   22.110 2.203449 32.41276 
1 1 1   -7   32   29 o   45.434   22.142   2.0043   8.4290  -7.6880   16.824   5.2523   9.7394   45.429   23.242   48.667   23.736 -3.237888 33.22036 
1 1 1   -7   32   30 o   40.258   20.124  -3.7563   8.7058 -13.6900   22.309  -1.9718   9.4555   44.546   22.983   42.085   21.027 2.460896 31.15021 
1 1 1   -7   33    1 o   58.640   26.472   2.5872   8.5431   7.5520   12.357  -1.9582   11.824   69.392   31.530   58.644   27.975 10.74726 42.15100 
1 1 1   -7   33    2 o   71.231   30.139   9.4997   9.5945   2.3632   14.226   15.454   12.995   65.358   31.037   80.036   34.499 -14.67822 46.40549 
1 1 1   -7   33    3 o   68.634   29.336   8.1903   9.2513  -1.5567   13.535   16.737   12.674   61.202   29.391   82.124   34.688 -20.92227 45.46536 
1 1 1   -7   33    4 o   59.145   26.519   3.1967   8.4105  -9.3182   12.597   13.263   11.298   53.883   26.430   77.192   32.685 -23.30873 42.03431 
1 1 1   -7   33    5 o   48.846   23.456  -5.1068   8.6165 -19.5751   12.694   7.2552   11.734   47.984   24.032   68.081   30.852 -20.09725 39.10715 
1 1 1   -7   33    6 o  108.888   31.423   24.842   9.3551   13.202   13.873   34.550   12.669   75.554   33.954  117.921   37.150 -42.36754 50.32904 
1 1 1   -7   33    7 o  181.613   29.854   63.422   13.556   54.250   18.968   73.000   19.382  124.025   45.321  157.789   45.141 -33.76482 63.96644 
1 1 1   -7   33    8 o  129.646   48.901   70.130   22.404   70.130   22.404   0.0000   0.0000  129.646   48.901  ?   ?  0.000000 48.90136 
1 1 1   -7   33    9 o   83.161   33.173   17.240   10.763   22.887   12.999   4.9290   19.193   89.277   36.159   68.138   33.252 21.13971 49.12371 
1 1 1   -7   33   10 o   72.403   30.295   11.350   9.5227   5.8456   11.152   26.170   18.298   64.203   29.466   83.875   38.209 -19.67223 48.25158 
1 1 1   -7   33   11 o   70.335   28.455   10.179   8.0399   3.2633   10.643   19.372   12.270   60.221   28.038   82.883   34.509 -22.66272 44.46391 
1 1 1   -7   33   12 o   47.877   22.719  -2.5078   7.5961   7.2267   10.254 -14.3457   11.308   64.446   29.056   46.621   23.247 17.82505 37.21075 
1 1 1   -7   33   13 o   57.076   25.960   3.5159   8.4042 -10.9764   11.991   17.508   11.782   49.510   24.562   78.546   33.326 -29.03539 41.39914 
1 1 1   -7   33   14 o   54.576   25.303   1.9838   8.5266   4.8030   12.160  -0.7430   11.959   61.232   28.966   56.120   27.120 5.111763 39.67984 
1 1 1   -7   33   15 o   53.519   24.610   2.3284   7.8294  -4.9180   10.972   9.8473   11.176   50.936   24.918   65.715   29.908 -14.77873 38.92752 
1 1 1   -7   33   16 o   72.922   28.488   12.741   7.7898   12.966   11.884   12.571   10.315   68.256   30.978   68.923   30.207 -0.6666946 43.26730 
1 1 1   -7   33   17 o   62.820   28.297   9.0831   9.6998  -7.5120   17.566   16.363   11.634   54.824   27.569   71.655   31.715 -16.83054 42.02255 
1 1 1   -7   33   18 o   66.408   27.090   10.625   7.3584   13.300   19.247   10.168   7.9633   63.158   31.295   64.610   27.404 -1.452381 41.59777 
1 1 1   -7   33   19 o   60.587   26.397   8.5552   7.7747  -2.3190   17.254   11.326   8.7090   54.651   27.461   64.797   28.086 -10.14662 39.27946 
1 1 1   -7   33   20 o   41.726   20.726  -8.1350   8.6422   0.0000   0.0000  -8.1350   8.6422  ?   ?    41.726   20.726 0.000000 20.72594 
1 1 1   -7   33   21 o   64.756   28.911   13.922   9.8832  -8.9170   19.756   21.546   11.414   51.544   26.269   72.798   31.843 -21.25349 41.28040 
1 1 1   -7   33   22 o   52.764   24.763   5.3125   8.5781   8.4190   17.174   4.2798   9.9017   55.631   27.875   52.109   25.054 3.522526 37.47972 
1 1 1   -7   33   23 o   52.552   24.681   5.8472   8.5473  -0.0266   18.376   7.4689   9.6554   51.624   26.213   54.366   25.745 -2.742546 36.74179 
1 1 1   -7   33   24 o   50.226   23.867   4.5975   8.4382 -17.0900   20.158   9.2054   9.2915   47.127   24.201   55.461   25.946 -8.333618 35.48112 
1 1 1   -7   33   25 o   54.951   26.357   10.760   10.809 -15.2100   21.909   19.116   12.427   47.246   24.298   60.859   28.932 -13.61298 37.78207 
1 1 1   -7   33   26 o   45.712   22.450   1.3210   9.1798 -26.7000   22.000   7.2282   10.101   44.430   22.919   50.776   24.629 -6.345955 33.64371 
1 1 1   -7   33   27 o   62.398   26.932   15.189   7.9415   34.170   22.569   12.507   8.4841   54.265   27.693   56.492   25.844 -2.226730 37.87910 
1 1 1   -7   33   28 o   43.708   21.305   2.4726   7.8145   25.040   19.954  -1.6157   8.4929   51.147   26.096   40.976   20.385 10.17106 33.11456 
1 1 1   -7   33   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   34    1 o   46.044   22.513  -7.6089   8.9235 -37.1700   18.345   1.5542   10.213   49.130   25.063   57.351   26.949 -8.221489 36.80212 
1 1 1   -7   34    2 o   61.077   27.678   5.2251   9.4430  -0.8869   17.645   7.6780   11.178   62.130   30.633   65.343   29.805 -3.213242 42.74010 
1 1 1   -7   34    3 o  104.947   38.000   33.301   13.290   29.160   19.639   36.800   18.052   82.203   38.211   93.122   40.399 -10.91875 55.60709 
1 1 1   -7   34    4 o   57.992   27.879   0.0932   12.252   4.3330   19.810  -2.5330   15.591   65.467   32.312   59.344   29.168 6.123131 43.52986 
1 1 1   -7   34    5 o   53.891   25.534  -0.2880   9.5237   1.1637   11.460  -3.5290   17.122   57.895   27.596   59.783   29.604 -1.888523 40.47123 
1 1 1   -7   34    6 o   62.273   29.009   5.7366   11.416   5.7366   11.416   0.0000   0.0000   62.273   29.009  ?   ?  0.000000 29.00899 
1 1 1   -7   34    7 o   55.613   26.158   1.4943   9.6636   16.649   11.944 -27.2200   16.442   76.042   32.925   48.804   24.783 27.23777 41.21004 
1 1 1   -7   34    8 o   66.343   28.831   9.5735   9.2251   12.554   11.864   5.0150   14.671   69.696   31.354   62.406   30.129 7.289463 43.48313 
1 1 1   -7   34    9 o   52.241   24.431   0.9025   8.2245   1.7186   11.464   0.0369   11.806   57.121   27.330   55.996   27.032 1.125340 38.44028 
1 1 1   -7   34   10 o   61.866   26.404   7.5114   7.4746   7.6305   10.259   7.3766   10.913   62.345   28.482   62.169   28.754 0.1760559 40.47234 
1 1 1   -7   34   11 o   58.416   26.221   5.7676   8.2460   4.1104   11.657   7.4272   11.666   58.447   27.852   61.748   28.946 -3.300449 40.16988 
1 1 1   -7   34   12 f   48.504   23.223  -1.4944   8.3085   3.2743   11.705  -6.3375   11.796   57.074   27.388   49.991   24.722 7.083012 36.89594 
1 1 1   -7   34   13 o   61.119   26.653   8.1020   7.9422   7.6570   10.992   8.5879   11.488   60.343   28.227   61.371   28.755 -1.028141 40.29449 
1 1 1   -7   34   14 f   51.450   24.121   2.1703   8.1043   5.6567   11.750  -0.9934   11.193   57.644   27.603   51.789   25.300 5.854416 37.44342 
1 1 1   -7   34   15 o   46.030   22.192  -1.8296   7.8959   5.4864   11.564  -8.2205   10.808   56.541   27.157   45.861   22.845 10.67997 35.48766 
1 1 1   -7   34   16 o   66.922   27.819   12.428   7.9559   6.8842   11.212   18.049   11.291   56.812   27.140   69.674   31.019 -12.86156 41.21598 
1 1 1   -7   34   17 o   48.514   23.162   1.2077   8.1403  -8.4030   12.225   8.8626   10.911   46.442   23.305   57.763   27.358 -11.32132 35.93882 
1 1 1   -7   34   18 f   55.586   27.580   7.8380   15.142   0.0000   0.0000   7.8380   15.142  ?   ?    55.586   27.580 0.000000 27.58039 
1 1 1   -7   34   19 o   53.427   25.406   6.3796   9.5961 -28.9900   18.713   19.000   11.178   44.785   23.014   66.726   30.186 -21.94109 37.95874 
1 1 1   -7   34   20 o   51.160   24.184   5.2012   8.4496  -6.5990   17.367   8.8609   9.6715   48.639   24.774   55.170   26.017 -6.531582 35.92502 
1 1 1   -7   34   21 o   48.516   23.136   3.6402   8.0738   15.880   17.450   0.3062   9.1073   55.443   27.825   46.085   22.578 9.358295 35.83298 
1 1 1   -7   34   22 o   46.282   22.255   2.3589   7.8168   5.7240   17.265   1.4913   8.7667   50.641   25.682   46.144   22.509 4.497070 34.14989 
1 1 1   -7   34   23 o   42.721   21.351  -3.6087   9.7808   10.460   17.486 -10.0145   11.799   51.081   25.899   41.659   21.138 9.421429 33.43013 
1 1 1   -7   34   24 o   40.934   20.911 -13.5753   13.158 -18.0000   20.175 -10.3000   17.358   43.946   22.636   44.302   22.732 -0.3562775 32.08047 
1 1 1   -7   34   25 o   44.260   22.148   1.0588   10.673   20.710   22.138  -4.8916   12.182   49.818   25.570   42.319   21.473 7.499813 33.39073 
1 1 1   -7   34   26 o   35.202   17.795  -8.8980   7.8763 -48.2000   21.819  -3.0092   8.4458   38.869   20.156   39.333   19.685 -0.4638329 28.17411 
1 1 1   -7   34   27 f   50.621   24.269   12.956   9.1430   2.5060   22.114   15.111   10.041   43.586   22.503   51.257   24.789 -7.671749 33.47985 
1 1 1   -7   35    1 o  112.493   28.674   27.493   8.3801   28.495   11.826   26.482   11.877   92.939   35.415   88.592   35.002 4.346710 49.79309 
1 1 1   -7   35    2 o  140.799   25.917   38.915   9.1038   18.549   12.929   58.945   12.821   72.921   32.774  159.904   32.071 -86.98294 45.85509 
1 1 1   -7   35    3 o   69.366   28.427   12.016   8.1498   4.1283   11.747   19.336   11.316   57.649   27.604   76.833   32.632 -19.18380 42.74184 
1 1 1   -7   35    4 o   50.189   23.552   0.9585   7.7565  -9.9545   11.243   10.870   10.715   46.716   23.276   64.650   29.369 -17.93456 37.47398 
1 1 1   -7   35    5 o   86.555   29.839   18.951   8.1139   9.0763   11.218   29.783   11.750   61.989   28.837   94.350   35.450 -32.36022 45.69707 
1 1 1   -7   35    6 o   42.060   20.930 -10.1733   8.9740 -24.7797   11.354   14.140   14.649   39.752   20.227   65.328   31.156 -25.57592 37.14566 
1 1 1   -7   35    7 o   50.996   24.330   0.7970   8.9508   2.2566   11.672  -1.2870   13.947   54.866   26.581   54.063   26.762 0.8034477 37.71894 
1 1 1   -7   35    8 o  129.941   25.683   34.098   8.3381   21.150   11.060   51.146   12.691   77.700   32.589  135.404   35.682 -57.70397 48.32468 
1 1 1   -7   35    9 o   58.303   26.260   7.4141   8.3515   3.6292   11.946   11.033   11.681   55.181   26.770   61.931   29.011 -6.750172 39.47495 
1 1 1   -7   35   10 o   56.124   25.550   6.3480   8.1633  -2.6764   12.102   13.882   11.058   50.381   24.937   64.930   29.627 -14.54876 38.72501 
1 1 1   -7   35   11 o   38.420   19.053  -7.9719   7.1880  -9.1534   10.009  -6.7137   10.329   43.378   21.667   45.350   22.548 -1.972103 31.27130 
1 1 1   -7   35   12 o   55.560   25.563   6.7817   8.4645   0.5680   11.945   13.049   11.996   51.209   25.240   61.325   28.936 -10.11557 38.39735 
1 1 1   -7   35   13 o   58.439   26.314   9.1965   8.3787   13.109   11.659   5.0183   12.049   60.691   28.603   53.646   26.216 7.044735 38.79960 
1 1 1   -7   35   14 o   48.629   23.352   1.9812   8.5404   21.060   13.564 -10.5494   10.993   64.962   30.688   42.897   21.602 22.06530 37.52898 
1 1 1   -7   35   15 o   41.541   20.849  -9.0416   9.7978 -23.3800   13.545   6.6940   14.190   40.963   20.949   53.352   26.511 -12.38960 33.78856 
1 1 1   -7   35   16 f   47.522   23.158   1.4734   9.2150   4.1705   12.261  -2.0270   13.969   50.842   25.154   48.328   24.339 2.514290 35.00171 
1 1 1   -7   35   17 o   48.452   23.592   3.1148   9.5083   4.5464   12.428   1.0940   14.766   50.317   24.970   49.202   24.810 1.114956 35.19990 
1 1 1   -7   35   18 o   41.666   20.939  -6.9497   10.053   1.9820   19.355 -10.2492   11.764   49.564   25.323   42.042   21.308 7.521420 33.09526 
1 1 1   -7   35   19 o   37.021   18.576  -8.3127   7.7604  -1.2600   19.950  -9.5701   8.4238   48.091   24.655   37.484   18.881 10.60758 31.05401 
1 1 1   -7   35   20 o   44.222   21.649   1.1438   8.3272   5.6970   19.717   0.1553   9.1867   48.752   24.959   44.082   21.803 4.669651 33.14072 
1 1 1   -7   35   21 o   41.454   20.644  -2.2735   8.8003   14.570   18.562  -7.1572   9.9950   50.069   25.512   39.979   20.190 10.08963 32.53500 
1 1 1   -7   35   22 f   41.378   20.875  -3.8053   10.521   28.980   17.797 -21.4150   13.043   53.626   27.066   37.694   19.361 15.93242 33.27768 
1 1 1   -7   35   23 o   37.947   19.257  -8.3373   9.8138   2.2970   16.475 -14.1860   12.218   44.565   22.815   38.195   19.561 6.370331 30.05313 
1 1 1   -7   35   24 o   40.870   20.364   0.7016   8.6092   20.500   19.761  -3.9368   9.5647   46.933   24.094   38.918   19.666 8.015453 31.10064 
1 1 1   -7   35   25 o   40.798   20.148   2.5887   7.7422   16.220   22.053   0.6724   8.2685   44.106   22.759   39.641   19.784 4.465378 30.15608 
1 1 1   -7   36    1 o   49.482   23.534   2.1041   8.2403  -1.8289   11.615   6.0898   11.693   49.334   24.421   55.026   26.645 -5.692348 36.14347 
1 1 1   -7   36    2 f   50.622   23.573   3.5788   7.5284  -7.6492   9.8655   19.233   11.649   43.562   21.720   68.560   30.934 -24.99815 37.79763 
1 1 1   -7   36    3 o   53.491   24.696   5.5731   7.9980  -3.1688   11.204   14.656   11.421   47.911   23.764   63.067   29.255 -15.15607 37.69096 
1 1 1   -7   36    4 o   44.385   21.486  -1.5682   7.5882   9.9248   11.674  -9.9766   9.9854   57.769   27.624   42.189   21.156 15.57989 34.79431 
1 1 1   -7   36    5 o   59.246   27.013   10.292   9.1709   12.533   11.401   6.1840   15.436   60.101   28.313   54.690   27.252 5.411522 39.29781 
1 1 1   -7   36    6 o   56.728   26.144   8.6015   8.9046  -3.0188   10.925   31.600   15.370   47.113   23.385   71.640   33.468 -24.52642 40.82854 
1 1 1   -7   36    7 o   37.069   18.603 -10.8196   7.7980  -4.7824   11.621 -15.7652   10.518   46.481   23.237   39.743   20.144 6.738228 30.75229 
1 1 1   -7   36    8 o   43.189   21.133  -2.5220   7.9040   2.0694   11.114  -7.2204   11.243   49.947   24.565   44.504   22.335 5.443329 33.20076 
1 1 1   -7   36    9 o   48.929   23.377   3.1877   8.3237  -1.2713   11.940   7.4031   11.610   47.943   23.903   53.493   26.051 -5.549950 35.35567 
1 1 1   -7   36   10 o   72.280   30.244   20.565   9.4906   48.150   16.613   7.1991   11.563   79.006   36.151   52.782   25.769 26.22454 44.39552 
1 1 1   -7   36   11 o   49.676   23.834   4.5256   8.8534 -20.1000   14.237   20.053   11.305   41.840   21.404   64.616   29.660 -22.77618 36.57708 
1 1 1   -7   36   12 f   43.265   21.558  -3.7520   9.6544 -12.6800   12.486   9.5210   15.224   42.078   21.391   52.411   26.259 -10.33308 33.86892 
1 1 1   -7   36   13 o   45.094   22.168   0.3628   9.0181   4.6138   11.485  -6.4720   14.563   49.195   24.340   45.403   23.083 3.791576 33.54485 
1 1 1   -7   36   14 o   43.354   21.281  -0.3531   8.2153   11.629   12.415  -9.6855   10.957   52.910   26.011   40.868   20.697 12.04197 33.24018 
1 1 1   -7   36   15 o   54.170   25.207   10.550   8.5831   9.4906   12.642   11.456   11.690   50.735   25.178   52.406   25.654 -1.670658 35.94557 
1 1 1   -7   36   16 o   44.816   21.752   2.5882   7.9097   1.1223   11.626   3.8514   10.792   45.472   22.806   46.770   23.220 -1.298611 32.54620 
1 1 1   -7   36   17 o   55.702   25.853   13.485   8.9362   8.8059   12.857   17.858   12.429   48.796   24.401   54.543   26.648 -5.747719 36.13213 
1 1 1   -7   36   18 o   37.627   19.012  -8.0272   8.9315   0.3204   13.016 -15.4565   12.279   44.295   22.446   38.502   19.710 5.792988 29.87203 
1 1 1   -7   36   19 o   56.123   26.921   20.570   11.282   3.4360   21.513   27.071   13.251   45.266   23.319   57.203   27.852 -11.93713 36.32567 
1 1 1   -7   36   20 f   40.211   20.383  -3.7196   10.787   17.830   21.052 -11.3908   12.561   46.677   23.996   38.760   19.850 7.916527 31.14155 
1 1 1   -7   36   21 o   42.873   21.252   4.1898   8.9075   20.810   21.502   0.7464   9.7869   45.835   23.598   40.993   20.609 4.842163 31.33056 
1 1 1   -7   36   22 o   34.713   17.521  -5.8184   7.4678   18.840   18.683 -10.5071   8.1469   44.810   23.025   33.368   16.993 11.44197 28.61678 
1 1 1   -7   36   23 o   32.983   16.771  -8.6027   7.7059   1.5200   15.350 -12.0136   8.9101   40.232   20.677   33.150   16.957 7.081692 26.74058 
1 1 1   -7   37    1 o   40.440   20.160  -5.4483   8.4870 -10.0500   12.254  -1.2067   11.765   42.585   21.601   46.166   23.123 -3.580257 31.64332 
1 1 1   -7   37    2 o   39.389   19.790  -8.2606   8.9542 -15.9100   14.591  -3.6394   11.341   42.622   21.793   44.555   22.371 -1.932545 31.23117 
1 1 1   -7   37    3 o   38.857   19.486  -7.7358   8.4743 -22.2900   14.223   0.2752   10.552   40.492   20.763   46.089   22.895 -5.596428 30.90757 
1 1 1   -7   37    4 o   40.512   20.511 -10.4346   10.711 -30.1200   15.194   9.0130   15.102   39.504   20.312   51.237   25.738 -11.73375 32.78770 
1 1 1   -7   37    5 o   52.355   25.343   9.4068   10.556   30.840   15.295 -10.0900   14.587   62.777   30.417   43.895   22.389 18.88168 37.76794 
1 1 1   -7   37    6 o   48.269   23.703   4.6027   10.221   13.380   14.241  -4.7220   14.678   52.903   26.332   45.412   23.096 7.490341 35.02538 
1 1 1   -7   37    7 o   53.266   25.972   12.255   11.638   0.9300   16.818   22.660   16.121   47.525   24.222   55.818   27.820 -8.293102 36.88727 
1 1 1   -7   37    8 o   54.526   25.842   12.271   9.7679   15.466   12.735   7.7060   15.223   54.192   26.580   49.279   24.891 4.912609 36.41499 
1 1 1   -7   37    9 o   71.691   29.771   22.907   9.0976   26.515   11.569   17.060   14.726   65.904   30.160   53.024   26.453 12.87938 40.11779 
1 1 1   -7   37   10 o   46.509   22.522   4.5120   8.3580   1.5394   11.375   7.9995   12.321   45.268   22.683   48.819   24.330 -3.550747 33.26367 
1 1 1   -7   37   11 o   47.622   22.938   6.0811   8.3886   6.7976   11.889   5.3708   11.838   47.713   23.798   46.939   23.463 0.7746239 33.41994 
1 1 1   -7   37   12 o   33.800   17.142 -11.8434   7.6960 -15.2396   11.199  -8.8041   10.594   37.530   19.182   39.231   19.919 -1.701073 27.65319 
1 1 1   -7   37   13 f   39.131   19.448  -2.4105   7.6505   2.8900   10.705  -7.9436   10.938   44.498   22.254   39.565   20.104 4.932590 29.98971 
1 1 1   -7   37   14 o   41.650   20.678   0.4945   8.5587  -7.4916   12.697   7.1456   11.587   40.594   20.721   46.295   23.152 -5.700893 31.07087 
1 1 1   -7   37   15 o   36.499   18.501  -8.4185   8.8893   3.2369   12.848 -19.1203   12.312   43.890   22.248   36.580   18.790 7.309883 29.12100 
1 1 1   -7   37   16 o   35.482   18.030  -9.5902   8.8066 -19.2936   12.814  -0.9052   12.123   36.571   18.796   41.520   21.104 -4.949337 28.26063 
1 1 1   -7   37   17 o   34.399   17.495  -9.9893   8.4255 -17.5477   12.696  -4.0413   11.263   36.408   18.712   39.363   20.040 -2.955391 27.41779 
1 1 1   -7   37   18 o   39.385   19.989  -1.4179   10.593   12.100   21.418  -5.7956   12.189   43.184   22.290   38.591   19.747 4.593277 29.77860 
1 1 1   -7   37   19 o   40.405   20.745   1.4588   14.699   9.3310   22.263  -4.6250   19.572   41.738   21.605   39.913   20.626 1.824718 29.86974 
1 1 1   -7   37   20 o   33.817   17.266  -8.8910   8.8627   7.2770   21.396 -12.2396   9.7373   40.442   20.941   33.545   17.199 6.896610 27.09902 
1 1 1   -7   37   21 f   42.227   21.357   12.609   11.425 -11.2600   21.708   21.755   13.437   37.488   19.456   44.320   22.495 -6.831947 29.74211 
1 1 1   -7   38    1 o   52.806   24.710   11.815   8.4351   11.622   11.506   12.040   12.403   49.464   24.453   49.200   24.502 0.2640533 34.61677 
1 1 1   -7   38    2 o   42.839   21.048   2.0343   8.0955   3.7711   10.954  -0.0561   12.017   44.840   22.438   43.281   21.891 1.558739 31.34759 
1 1 1   -7   38    3 o   46.281   22.807   6.2729   9.7386  -2.9635   12.205   22.460   16.157   42.093   21.372   51.236   25.851 -9.143780 33.54158 
1 1 1   -7   38    4 o   42.785   21.377   1.1758   9.7745   2.1185   12.457  -0.3345   15.767   44.045   22.279   43.882   22.455 0.1630592 31.63153 
1 1 1   -7   38    5 o   43.851   21.604   3.5227   8.7202   1.7496   11.912   5.5698   12.800   43.588   22.016   45.326   22.885 -1.738125 31.75610 
1 1 1   -7   38    6 o   68.644   28.695   22.690   8.5316   22.529   11.776   22.868   12.377   55.902   26.989   54.978   26.802 0.9241524 38.03618 
1 1 1   -7   38    7 f   40.146   19.929  -0.3463   7.9433   4.4025   11.671  -4.4436   10.841   44.268   22.288   40.054   20.317 4.214722 30.15886 
1 1 1   -7   38    8 o   47.848   23.030   8.8855   8.4198   0.4283   12.449   16.015   11.430   42.434   21.550   50.624   24.900 -8.190018 32.93059 
1 1 1   -7   38    9 o   42.994   21.208   3.8150   8.4912  -5.3765   11.711   14.003   12.330   39.728   20.245   48.110   24.034 -8.382229 31.42419 
1 1 1   -7   38   10 o   43.086   21.277   4.3927   8.6303  -4.3640   11.992   13.800   12.430   39.911   20.352   47.426   23.756 -7.514099 31.28178 
1 1 1   -7   38   11 o   38.965   19.533  -1.0865   8.4786  -3.1381   12.203   0.8285   11.789   40.049   20.431   41.328   20.986 -1.279030 29.28943 
1 1 1   -7   38   12 o   42.145   20.815   4.3261   8.2686  -2.0945   12.595   9.1898   10.962   40.093   20.480   44.650   22.358 -4.557018 30.31973 
1 1 1   -7   38   13 o   37.219   18.708  -2.1812   8.0445  -4.6887   11.990  -0.1286   10.848   38.582   19.730   39.739   20.175 -1.157028 28.21822 
1 1 1   -7   38   14 o   33.025   16.840 -10.3384   8.2081 -18.4091   11.218  -1.0392   12.042   33.849   17.407   39.216   20.031 -5.367741 26.53760 
1 1 1   -7   38   15 o   45.072   22.563   14.459   11.125   16.260   21.486   13.800   13.005   41.846   21.624   43.515   22.091 -1.669083 30.91321 
1 1 1   -7   38   16 o   47.124   23.914   32.098   15.141   47.780   21.733   17.310   21.105   45.163   23.274   41.150   21.271 4.012852 31.52957 
1 1 1   -7   38   17 o   45.418   22.772   20.308   11.550   39.029   13.901 -21.4400   20.758   50.481   25.263   36.205   18.796 14.27598 31.48809 
1 1 1   -7   38   18 o   37.559   19.013   3.4478   9.1827   7.1927   13.543   0.2614   12.493   38.538   19.793   36.812   18.910 1.725540 27.37412 
1 1 1   -7   39    1 o   42.349   20.974   5.4504   8.6061   9.2360   12.399   1.9313   11.955   43.466   22.013   40.711   20.719 2.754395 30.22961 
1 1 1   -7   39    2 f   48.138   23.195   12.381   8.5955   13.185   12.100   11.562   12.213   45.205   22.752   44.411   22.415 0.7936668 31.93880 
1 1 1   -7   39    3 o   37.744   19.072  -2.1348   8.9937  -1.7768   11.128  -2.8090   15.272   38.968   19.847   39.841   20.479 -0.8723335 28.51784 
1 1 1   -7   39    4 o   36.549   18.574  -5.0762   9.3666  -7.8784   11.492   0.4683   16.166   37.011   18.956   40.496   20.829 -3.484127 28.16335 
1 1 1   -7   39    5 o   41.138   20.466   4.5143   8.5601   21.408   11.982 -13.0975   12.234   48.904   24.310   35.931   18.467 12.97297 30.52893 
1 1 1   -7   39    6 o   33.874   17.160  -6.3217   7.5659  -5.3971   11.288  -7.0760   10.195   37.304   19.082   36.077   18.428 1.226715 26.52735 
1 1 1   -7   39    7 o   38.281   19.250   0.6834   8.5588   10.181   12.760  -7.0848   11.540   42.433   21.576   36.700   18.811 5.733124 28.62472 
1 1 1   -7   39    8 o   38.764   19.447   2.0603   8.4822   6.0312   12.918  -0.9495   11.246   40.648   20.761   38.216   19.507 2.432026 28.48729 
1 1 1   -7   39    9 o   45.661   22.356   12.801   8.8892   14.999   12.712   10.697   12.436   43.334   21.983   41.871   21.291 1.463070 30.60363 
1 1 1   -7   39   10 o   41.336   20.481   7.1454   8.2409   1.6223   11.600   12.774   11.710   38.386   19.611   42.477   21.499 -4.091419 29.09992 
1 1 1   -7   39   11 o   36.424   18.387   0.0217   8.2350  -1.6011   11.671   1.6306   11.621   36.968   18.946   37.928   19.398 -0.9605865 27.11493 
1 1 1   -7   39   12 o   33.303   17.077  -8.9498   9.6188  -4.0800   16.374 -11.5157   11.886   36.881   19.053   34.117   17.564 2.764225 25.91299 
1 1 1   -7   39   13 o   32.586   16.786 -14.3612   11.122 -30.9400   17.040  -2.0560   14.680   33.256   17.260   36.398   18.774 -3.141560 25.50187 
1 1 1   -7   39   14 o   31.724   16.296 -10.4532   9.2555 -28.7016   11.320   26.350   16.076   29.626   15.337   40.836   20.992 -11.21012 25.99768 
1 1 1   -7   39   15 o   31.544   16.153  -7.0519   8.3004  -4.2995   10.747 -11.1219   13.068   33.773   17.359   33.209   17.151 0.5639191 24.40282 
1 1 1   -7   40    1 o   38.034   19.051   4.6729   7.9887   8.4998   11.046   0.4754   11.568   39.122   19.910   36.489   18.712 2.632641 27.32309 
1 1 1   -7   40    2 o   36.623   18.638   1.9424   9.6725   3.3123   12.020  -0.5745   16.293   37.245   19.098   36.729   18.975 0.5160522 26.92176 
1 1 1   -7   40    3 o   34.264   17.531  -4.0887   9.5813 -14.6017   11.958   14.760   16.012   32.920   16.978   39.160   20.171 -6.240410 26.36514 
1 1 1   -7   40    4 o   29.804   15.316 -14.9488   8.4857 -29.4411   12.040  -0.6441   11.962   30.275   15.678   35.903   18.447 -5.628119 24.20902 
1 1 1   -7   40    5 o   36.254   18.344   2.5199   8.4908   7.8941   11.762  -3.3286   12.270   38.069   19.473   35.134   18.075 2.934875 26.56894 
1 1 1   -7   40    6 o   31.621   16.181  -7.4870   8.1878 -12.6544   11.163  -1.4707   12.045   32.384   16.688   35.277   18.136 -2.893295 24.64592 
1 1 1   -7   40    7 o   31.157   15.948  -7.7672   8.0131  -9.1208   11.628  -6.5429   11.058   33.154   17.083   33.491   17.226 -0.3367271 24.26000 
1 1 1   -7   40    8 o   28.270   14.567 -18.4555   8.4845 -13.0600   14.984 -21.0021   10.294   33.399   17.302   29.588   15.279 3.810659 23.08251 
1 1 1   -7   40    9 o   38.105   19.347   10.523   9.9901  -0.9475   17.151   16.413   12.290   34.901   18.093   38.832   19.867 -3.930496 26.87086 
1 1 1   -7   40   10 o   38.665   19.861   21.337   13.743   19.730   18.975   23.110   19.932   36.623   18.987   36.798   19.087 -0.1750221 26.92216 
1 1 1   -6    0    1 o  460.186   11.496  274.969   13.684  274.969   13.684  274.969   13.684  460.186   11.496  460.186   11.496 0.000000 0.000000 
1 1 1   -6    0    2 f  349.578   11.110  158.851   10.037  158.851   10.037  158.851   10.037  349.578   11.110  349.578   11.110 -0.000000 0.000000 
1 1 1   -6    0    3 o  326.853   11.116  138.933   9.3864  138.933   9.3864  138.933   9.3864  326.853   11.116  326.853   11.116 -0.000000 0.000000 
1 1 1   -6    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    0    5 f  495.175   12.029  318.397   15.409  318.397   15.409  318.397   15.409  495.175   12.029  495.175   12.029 -0.000000 0.000000 
1 1 1   -6    0    6 o  669.370   13.258  581.630   22.967  581.630   22.967  581.630   22.967  669.370   13.258  669.370   13.258 0.000000 0.000000 
1 1 1   -6    0    7 o  1090.73   17.235  1545.29   48.666  1545.29   48.666  1545.29   48.666  1090.73   17.235  1090.73   17.235 -0.000000 0.000000 
1 1 1   -6    0    8 o  308.131   17.679  124.500   14.004  124.500   14.004  124.500   14.004  308.131   17.679  308.131   17.679 -0.000000 0.000000 
1 1 1   -6    0    9 o  367.599   12.055  175.839   11.451  175.839   11.451  175.839   11.451  367.599   12.055  367.599   12.055 0.000000 0.000000 
1 1 1   -6    0   10 o  437.127   12.282  248.538   13.882  248.538   13.882  248.538   13.882  437.127   12.282  437.127   12.282 -0.000000 0.000000 
1 1 1   -6    0   11 o  441.713   12.451  253.873   14.220  253.873   14.220  253.873   14.220  441.713   12.451  441.713   12.451 -0.000000 0.000000 
1 1 1   -6    0   12 o  280.179   12.851  102.563   9.2818  102.563   9.2818  102.563   9.2818  280.179   12.851  280.179   12.851 -0.000000 0.000000 
1 1 1   -6    0   13 o  378.375   12.657  186.459   12.374  186.459   12.374  186.459   12.374  378.375   12.657  378.375   12.657 -0.000000 0.000000 
1 1 1   -6    0   14 o  468.733   12.845  285.729   15.569  285.729   15.569  285.729   15.569  468.733   12.845  468.733   12.845 0.000000 0.000000 
1 1 1   -6    0   15 o  438.636   12.883  250.204   14.609  250.204   14.609  250.204   14.609  438.636   12.883  438.636   12.883 -0.000000 0.000000 
1 1 1   -6    0   16 o  242.858   15.249   77.410   9.5058   77.410   9.5058   77.410   9.5058  242.858   15.249  242.858   15.249 0.000000 0.000000 
1 1 1   -6    0   17 o  1209.67   18.878  1900.52   59.119  1900.52   59.119  1900.52   59.119  1209.67   18.878  1209.67   18.878 -0.000000 0.000000 
1 1 1   -6    0   18 o  1068.13   24.906  1485.00   68.826  1485.00   68.826  1485.00   68.826  1068.13   24.906  1068.13   24.906 -0.000000 0.000000 
1 1 1   -6    0   19 o  914.740   16.247  1086.25   38.470  1086.25   38.470  1086.25   38.470  914.740   16.247  914.740   16.247 -0.000000 0.000000 
1 1 1   -6    0   20 o  754.084   15.479  738.365   30.207  738.365   30.207  738.365   30.207  754.084   15.479  754.084   15.479 -0.000000 0.000000 
1 1 1   -6    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    0   22 o  652.217   14.565  552.532   24.579  552.532   24.579  552.532   24.579  652.217   14.565  652.217   14.565 -0.000000 0.000000 
1 1 1   -6    0   23 o  783.739   15.433  797.871   31.302  797.871   31.302  797.871   31.302  783.739   15.433  783.739   15.433 0.000000 0.000000 
1 1 1   -6    0   24 o  679.985   15.109  600.889   26.583  600.889   26.583  600.889   26.583  679.985   15.109  679.985   15.109 0.000000 0.000000 
1 1 1   -6    0   25 o  1034.17   25.047  1396.00   67.009  1396.00   67.009  1396.00   67.009  1034.17   25.047  1034.17   25.047 0.000000 0.000000 
1 1 1   -6    0   26 o  444.979   22.001  259.700   25.218  259.700   25.218  259.700   25.218  444.979   22.001  444.979   22.001 -0.000000 0.000000 
1 1 1   -6    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    0   28 o  212.395   19.657   60.256   10.602   60.256   10.602   60.256   10.602  212.395   19.657  212.395   19.657 -0.000000 0.000000 
1 1 1   -6    0   29 o   53.091   33.433   1.9388   9.6974   1.9388   9.6974   1.9388   9.6974   53.091   33.433   53.091   33.433 -0.000000 0.000000 
1 1 1   -6    0   30 o  100.362   40.236   18.557   10.161   18.557   10.161   18.557   10.161  100.362   40.236  100.362   40.236 0.000000 0.000000 
1 1 1   -6    0   31 o  125.607   35.701   25.389   10.064   25.389   10.064   25.389   10.064  125.607   35.701  125.607   35.701 -0.000000 0.000000 
1 1 1   -6    0   32 o  225.248   21.620   68.590   12.347   68.590   12.347   68.590   12.347  225.248   21.620  225.248   21.620 0.000000 0.000000 
1 1 1   -6    0   33 o   49.120   32.056  -0.3657   9.9702  -0.3657   9.9702  -0.3657   9.9702   49.120   32.056   49.120   32.056 -0.000000 0.000000 
1 1 1   -6    0   34 o  176.717   26.179   44.244   11.210   44.244   11.210   44.244   11.210  176.717   26.179  176.717   26.179 0.000000 0.000000 
1 1 1   -6    0   35 o  174.660   27.080   43.718   11.374   43.718   11.374   43.718   11.374  174.660   27.080  174.660   27.080 -0.000000 0.000000 
1 1 1   -6    0   36 o  268.908   25.319  100.100   17.277  100.100   17.277  100.100   17.277  268.908   25.319  268.908   25.319 -0.000000 0.000000 
1 1 1   -6    0   37 o  119.793   34.920   24.151   9.4078   24.151   9.4078   24.151   9.4078  119.793   34.920  119.793   34.920 -0.000000 0.000000 
1 1 1   -6    0   38 o   56.500   35.010   4.7421   10.196   4.7421   10.196   4.7421   10.196   56.500   35.010   56.500   35.010 0.000000 0.000000 
1 1 1   -6    0   39 o   58.713   35.848   6.0996   10.329   6.0996   10.329   6.0996   10.329   58.713   35.848   58.713   35.848 0.000000 0.000000 
1 1 1   -6    0   40 o  247.193   19.290   84.265   12.179   84.265   12.179   84.265   12.179  247.193   19.290  247.193   19.290 -0.000000 0.000000 
1 1 1   -6    0   41 o   66.334   38.664   10.165   10.998   10.165   10.998   10.165   10.998   66.334   38.664   66.334   38.664 0.000000 0.000000 
1 1 1   -6    0   42 o  129.562   38.043   30.643   11.093   30.643   11.093   30.643   11.093  129.562   38.043  129.562   38.043 -0.000000 0.000000 
1 1 1   -6    0   43 o   90.845   40.460   19.252   10.091   19.252   10.091   19.252   10.091   90.845   40.460   90.845   40.460 0.000000 0.000000 
1 1 1   -6    0   44 o   50.488   33.817   1.9640   12.318   1.9640   12.318   1.9640   12.318   50.488   33.817   50.488   33.817 -0.000000 0.000000 
1 1 1   -6    0   45 o   56.478   39.329   2.2820   20.625   2.2820   20.625   2.2820   20.625   56.478   39.329   56.478   39.329 -0.000000 0.000000 
1 1 1   -6    0   46 o  160.715   35.799   47.838   13.021   47.838   13.021   47.838   13.021  160.715   35.799  160.715   35.799 0.000000 0.000000 
1 1 1   -6    0   47 o   59.912   37.537   11.919   12.051   11.919   12.051   11.919   12.051   59.912   37.537   59.912   37.537 -0.000000 0.000000 
1 1 1   -6    0   48 f   48.567   32.622   5.3103   11.609   5.3103   11.609   5.3103   11.609   48.567   32.622   48.567   32.622 0.000000 0.000000 
1 1 1   -6    0   49 o   63.473   39.508   18.418   13.132   18.418   13.132   18.418   13.132   63.473   39.508   63.473   39.508 -0.000000 0.000000 
1 1 1   -6    1    1 o  488.761   8.2471  309.600   10.441  305.573   14.690  313.712   14.844  485.410   11.683  491.834   11.651 -6.424316 16.49975 
1 1 1   -6    1    2 o  1176.42   12.699  1795.30   38.699  1802.46   54.919  1788.24   54.540  1177.82   18.001  1173.17   17.947 4.645508 25.41931 
1 1 1   -6    1    3 o  1044.99   11.736  1416.32   31.768  1429.71   45.289  1403.35   44.572  1049.17   16.665  1039.47   16.554 9.696533 23.48915 
1 1 1   -6    1    4 o  1015.89   16.357  1340.48   43.042   0.0000   0.0000  1340.48   43.042  ?   ?   1015.89   16.357 0.000000 16.35651 
1 1 1   -6    1    5 o  594.981   8.9437  458.906   13.784  445.290   19.204  473.376   19.796  585.818   12.655  604.011   12.653 -18.19263 17.89554 
1 1 1   -6    1    6 o  453.584   8.3869  266.697   9.8540  270.034   13.920  263.346   13.951  456.218   11.780  450.521   11.955 5.697205 16.78308 
1 1 1   -6    1    7 o  1034.76   13.594  1390.38   36.437  1363.00   61.897  1404.90   45.075  1021.91   23.383  1039.45   16.741 -17.53534 28.75839 
1 1 1   -6    1    8 o  512.823   12.620  341.516   16.764  327.900   23.351  356.000   24.083  501.811   17.964  522.899   17.780 -21.08856 25.27579 
1 1 1   -6    1    9 o  458.661   8.6410  272.878   10.266  276.911   14.550  268.878   14.487  461.693   12.166  454.932   12.294 6.760651 17.29626 
1 1 1   -6    1   10 o  246.812   8.9481   79.053   5.7207   80.658   8.0200   77.390   8.1624  249.074   12.431  243.594   12.983 5.480698 17.97437 
1 1 1   -6    1   11 o  295.955   8.8289  113.692   6.7683  116.455   9.6049  110.967   9.5391  299.210   12.393  292.053   12.609 7.156921 17.67992 
1 1 1   -6    1   12 o  431.630   8.8075  241.835   9.8472  238.791   13.907  244.895   13.945  428.413   12.532  433.873   12.408 -5.460236 17.63562 
1 1 1   -6    1   13 o  536.892   9.1045  374.144   12.662  384.085   18.099  364.615   17.720  543.391   12.858  529.428   12.921 13.96332 18.22903 
1 1 1   -6    1   14 o  687.899   9.8469  614.119   17.546  621.282   25.066  607.237   24.569  691.183   14.000  683.350   13.880 7.833313 19.71464 
1 1 1   -6    1   15 o  334.048   9.2006  144.725   7.9611  153.701   11.494  136.448   11.037  344.019   12.898  324.120   13.147 19.89990 18.41743 
1 1 1   -6    1   16 o  503.742   9.3408  329.020   12.188  308.853   16.832  351.248   17.672  487.777   13.322  520.198   13.115 -32.42001 18.69433 
1 1 1   -6    1   17 o  901.253   12.943  1053.88   30.216  970.300   49.231  1104.39   38.272  863.318   22.015  922.160   16.022 -58.84113 27.22811 
1 1 1   -6    1   18 f  769.715   15.235  769.073   30.376  702.800   40.866  850.900   45.409  734.982   21.465  808.688   21.677 -73.70544 30.50666 
1 1 1   -6    1   19 o  1148.83   13.029  1712.12   38.773  1699.84   54.554  1724.65   55.116  1143.78   18.413  1152.09   18.469 -8.305420 26.07965 
1 1 1   -6    1   20 o  957.542   11.941  1189.15   29.618  1208.41   42.577  1171.09   41.229  964.574   17.041  949.606   16.761 14.96790 23.90262 
1 1 1   -6    1   21 f  728.882   10.729  688.901   20.257  699.632   29.153  678.884   28.167  734.078   15.332  723.144   15.037 10.93317 21.47507 
1 1 1   -6    1   22 o  712.914   10.486  659.091   19.364  658.004   27.784  660.118   27.003  711.846   15.068  713.044   14.620 -1.197205 20.99488 
1 1 1   -6    1   23 o  441.640   10.191  252.951   11.658  243.140   16.461  262.822   16.512  432.681   14.688  449.896   14.169 -17.21521 20.40799 
1 1 1   -6    1   24 o  835.549   13.049  906.416   28.241  895.282   34.384  929.500   49.509  829.891   15.995  844.047   22.645 -14.15576 27.72404 
1 1 1   -6    1   25 o  617.014   12.322  494.290   19.694  478.077   23.865  528.900   34.868  606.421   15.193  636.726   21.141 -30.30475 26.03370 
1 1 1   -6    1   26 o  488.261   12.217  309.620   15.451  360.400   29.248  289.961   18.198  525.258   21.496  472.190   14.878 53.06784 26.14303 
1 1 1   -6    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    1   28 o  174.518   17.512   40.142   7.8095   38.776   11.224   41.424   10.873  169.636   26.402  175.887   24.533 -6.250992 36.04104 
1 1 1   -6    1   29 o  107.883   26.283   15.992   7.2772   6.0591   10.550   25.007   10.051   84.686   33.133  134.663   29.620 -49.97712 44.44294 
1 1 1   -6    1   30 o  427.910   10.620  238.156   11.772  244.172   17.036  232.659   16.285  432.323   15.213  422.083   14.895 10.23950 21.29080 
1 1 1   -6    1   31 o  228.767   13.664   68.599   8.0601   66.063   12.064   70.644   10.832  222.624   21.176  231.102   18.244 -8.477814 27.95087 
1 1 1   -6    1   32 o  216.054   15.372   61.540   8.5470   53.094   12.136   69.851   12.039  197.990   24.166  228.736   20.538 -30.74663 31.71393 
1 1 1   -6    1   33 o  378.031   11.337  186.611   11.102  186.381   15.836  186.834   15.568  376.181   16.252  376.752   15.952 -0.5712585 22.77268 
1 1 1   -6    1   34 o  150.220   18.809   30.403   7.1586   32.638   9.7039   27.734   10.603  153.484   25.289  139.427   30.230 14.05716 39.41322 
1 1 1   -6    1   35 o  332.234   11.754  144.594   10.116  142.459   14.756  146.487   13.894  327.109   17.478  332.748   16.120 -5.638885 23.77696 
1 1 1   -6    1   36 o  196.259   21.060   52.512   10.539   54.160   15.456   51.080   14.408  193.432   31.964  188.591   30.538 4.840363 44.20755 
1 1 1   -6    1   37 o  125.588   32.473   23.635   10.642   0.0000   0.0000   23.635   10.642  ?   ?   125.588   32.473 0.000000 32.47350 
1 1 1   -6    1   38 o   66.838   26.581   4.0953   6.8908   14.693   9.1032 -10.1250   10.545   99.627   31.502   56.704   26.868 42.92318 41.40329 
1 1 1   -6    1   39 o   58.644   24.647   1.6123   6.3477   3.1833   9.4687   0.3300   8.5547   71.515   30.082   63.588   27.698 7.926929 40.89158 
1 1 1   -6    1   40 o  206.258   15.727   57.607   8.3393   63.294   12.219   52.647   11.410  211.500   22.656  192.201   23.400 19.29912 32.57111 
1 1 1   -6    1   41 o  138.441   22.083   27.477   7.6529   31.778   10.480   22.563   11.201  144.360   29.033  117.636   34.511 26.72385 45.09913 
1 1 1   -6    1   42 o  199.431   17.426   54.994   8.9117   59.304   12.804   50.945   12.411  200.578   25.201  184.383   26.769 16.19409 36.76455 
1 1 1   -6    1   43 o   56.687   25.700  -1.9413   8.1518   7.8970   11.587 -11.5843   11.471   81.167   33.643   56.017   26.942 25.14968 43.10085 
1 1 1   -6    1   44 o   52.362   24.412  -4.4825   8.1113  -8.4864   11.708  -0.7869   11.248   58.714   27.960   66.028   30.032 -7.314053 41.03309 
1 1 1   -6    1   45 o   58.367   27.592  -6.1474   11.000  -3.8270   15.543  -8.4760   15.570   70.128   33.043   66.327   31.765 3.800766 45.83524 
1 1 1   -6    1   46 o  141.409   25.857   31.928   9.1222   23.829   12.137   42.444   13.830  109.496   36.509  150.359   35.988 -40.86221 51.26465 
1 1 1   -6    1   47 o   51.485   24.456  -5.8320   8.8436 -25.0200   12.597   12.814   12.418   47.801   23.940   84.188   34.857 -36.38688 42.28602 
1 1 1   -6    1   48 o   72.382   29.585   8.2408   8.7976  -5.4884   12.289   22.675   12.600   59.299   28.351  100.822   36.925 -41.52318 46.55352 
1 1 1   -6    1   49 o   92.044   31.050   16.937   8.7791   17.834   12.785   16.136   12.076   87.584   35.716   85.196   34.724 2.388245 49.81327 
1 1 1   -6    2    1 o  377.667   11.082  184.959   10.841   0.0000   0.0000  184.959   10.841  ?   ?   377.667   11.082 0.000000 11.08194 
1 1 1   -6    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    2    4 o  249.074   11.305   80.463   7.2936   0.0000   0.0000   80.463   7.2936  ?   ?   249.074   11.305 0.000000 11.30475 
1 1 1   -6    2    5 o  407.362   8.2224  215.095   8.6762  219.661   12.346  210.641   12.195  411.500   11.583  402.957   11.684 8.542877 16.45209 
1 1 1   -6    2    6 o  366.866   11.592  174.624   11.015   0.0000   0.0000  174.624   11.015  ?   ?   366.866   11.592 0.000000 11.59158 
1 1 1   -6    2    7 o  967.910   15.950  1217.95   39.990  1190.00   55.561  1248.00   57.604  954.970   22.461  977.874   22.741 -22.90393 31.96352 
1 1 1   -6    2    8 o  397.627   12.179  205.308   12.544  204.300   17.812  206.300   17.669  396.118   17.360  398.079   17.135 -1.961243 24.39205 
1 1 1   -6    2    9 o  432.976   8.5931  243.188   9.6375  244.215   13.668  242.171   13.592  433.543   12.171  431.727   12.154 1.816132 17.19988 
1 1 1   -6    2   10 o   74.438   18.197   7.5251   3.4792   7.8927   4.8924   7.1490   4.9487   77.010   22.866   74.097   23.198 2.913155 32.57273 
1 1 1   -6    2   11 o  235.221   9.4510   71.844   5.7585   68.617   8.1995   74.985   8.0890  229.125   13.881  239.675   13.079 -10.55011 19.07181 
1 1 1   -6    2   12 o  356.099   8.8393  164.604   8.1534  165.484   11.660  163.762   11.406  356.633   12.622  354.800   12.411 1.833191 17.70100 
1 1 1   -6    2   13 o  444.099   12.549  256.462   14.435   0.0000   0.0000  256.462   14.435  ?   ?   444.099   12.549 0.000000 12.54865 
1 1 1   -6    2   14 o  291.530   9.2088  110.263   6.9541  116.437   10.088  104.672   9.5995  299.326   13.011  283.798   13.058 15.52780 18.43356 
1 1 1   -6    2   15 o  765.070   10.273  759.361   20.358  750.487   28.776  768.253   28.806  759.936   14.619  768.906   14.463 -8.970093 20.56405 
1 1 1   -6    2   16 o  765.561   10.345  760.079   20.514  745.222   28.742  775.506   29.289  757.536   14.647  772.777   14.632 -15.24121 20.70356 
1 1 1   -6    2   17 o  1027.28   13.863  1369.56   36.889  1340.00   62.495  1385.37   45.700  1014.14   23.790  1032.65   17.085 -18.51422 29.28943 
1 1 1   -6    2   18 o  1128.34   14.809  1652.47   43.282  1639.00   74.669  1659.28   53.116  1121.33   25.708  1130.06   18.146 -8.735962 31.46645 
1 1 1   -6    2   19 o  891.602   11.368  1030.86   26.256  1047.63   37.666  1015.00   36.618  898.259   16.188  884.187   15.988 14.07178 22.75279 
1 1 1   -6    2   20 o  875.441   11.475  993.880   26.021  998.466   37.267  989.517   36.349  876.869   16.408  872.977   16.074 3.892334 22.96944 
1 1 1   -6    2   21 o   85.663   26.238   9.5811   6.3701   14.761   9.8543   5.8627   8.3491  106.175   32.653   78.911   29.831 27.26435 44.22803 
1 1 1   -6    2   22 o  612.458   10.202  486.408   16.184  484.435   23.114  488.305   22.668  610.825   14.609  613.295   14.269 -2.469788 20.42114 
1 1 1   -6    2   23 f  514.315   11.782  343.213   15.696  351.038   19.359  328.200   26.815  519.916   14.375  502.007   20.621 17.90887 25.13686 
1 1 1   -6    2   24 o  457.749   11.931  271.942   14.147  267.424   17.084  281.800   25.233  453.703   14.537  464.969   20.951 -11.26617 25.50003 
1 1 1   -6    2   25 o  628.804   10.352  513.001   16.862  519.307   24.376  507.214   23.350  632.060   14.889  624.727   14.429 7.333313 20.73345 
1 1 1   -6    2   26 o  613.811   10.533  488.988   16.747  490.570   24.246  487.545   23.160  614.101   15.242  612.315   14.602 1.786499 21.10792 
1 1 1   -6    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    2   28 o  375.603   13.415  183.565   13.052  164.500   23.835  191.730   15.599  352.328   26.306  383.538   15.701 -31.20999 30.63586 
1 1 1   -6    2   29 o  272.593   12.588   96.712   8.8883   99.690   13.222   94.258   12.006  275.343   18.649  267.969   17.390 7.373688 25.49875 
1 1 1   -6    2   30 o  224.858   13.956   66.220   8.0888   67.146   11.361   65.267   11.519  225.213   19.673  221.870   20.267 3.342438 28.24450 
1 1 1   -6    2   31 o  205.906   14.675   55.735   7.7760   63.645   11.871   49.791   10.291  218.418   21.252  193.049   20.914 25.36841 29.81678 
1 1 1   -6    2   32 o  138.958   22.294   26.288   7.7531   27.645   10.970   24.933   10.959  139.883   31.084  132.460   32.243 7.423889 44.78599 
1 1 1   -6    2   33 o  208.230   14.885   57.240   7.9756   62.599   11.802   52.736   10.820  215.706   21.406  197.802   21.462 17.90341 30.31223 
1 1 1   -6    2   34 o  156.251   18.147   32.783   7.2080   26.380   9.9740   39.784   10.428  136.255   29.142  170.111   24.362 -33.85527 37.98361 
1 1 1   -6    2   35 o  165.601   17.800   36.842   7.5155   46.504   10.964   28.280   10.322  183.984   23.547  140.577   29.296 43.40651 37.58634 
1 1 1   -6    2   36 o  353.538   22.915  170.700   20.872  170.700   20.872   0.0000   0.0000  353.538   22.915  ?   ?  0.000000 22.91463 
1 1 1   -6    2   37 o  116.982   25.851   19.692   7.6247   29.625   11.065   10.712   10.521  141.510   31.042   91.101   33.679 50.40890 45.80206 
1 1 1   -6    2   38 o   92.480   26.781   12.454   6.7843  -0.7775   9.9617   23.900   9.2651   66.618   29.423  127.027   28.820 -60.40828 41.18590 
1 1 1   -6    2   39 o  187.443   16.113   47.556   7.7472   51.162   10.932   43.918   10.980  190.674   22.572  175.021   24.924 15.65273 33.62624 
1 1 1   -6    2   40 o  298.331   12.772  118.358   9.8701  119.879   14.106  116.899   13.815  295.545   18.520  291.979   18.360 3.566559 26.07805 
1 1 1   -6    2   41 o  171.157   27.751   43.862   11.882   43.862   11.882   0.0000   0.0000  171.157   27.751  ?   ?  0.000000 27.75094 
1 1 1   -6    2   42 o  119.867   25.737   21.687   7.7523   23.336   10.538   19.741   11.445  119.287   32.994  108.431   35.420 10.85636 48.40612 
1 1 1   -6    2   43 o   58.260   25.158   1.2321   6.9362   12.044   10.141  -8.2730   9.5083   88.155   32.970   53.119   25.268 35.03644 41.53930 
1 1 1   -6    2   44 o  151.801   24.504   35.015   9.3071   47.242   13.159   22.777   13.165  169.587   31.102  109.709   37.998 59.87829 49.10373 
1 1 1   -6    2   45 o   67.462   31.681  -3.7786   14.080  -5.3480   20.236  -2.3060   19.602   75.700   36.243   77.093   36.558 -1.392769 51.47896 
1 1 1   -6    2   46 o   56.855   25.725  -0.5234   8.1221  -0.3746   12.384  -0.6358   10.759   66.735   30.783   63.185   28.978 3.549294 42.27666 
1 1 1   -6    2   47 o   50.342   23.651  -4.2004   7.8606  -9.3499   10.170   3.4425   12.389   51.750   25.008   70.150   31.754 -18.40034 40.41914 
1 1 1   -6    2   48 o  100.453   31.609   19.410   9.1746   21.304   12.986   17.521   12.964   97.038   37.079   89.842   36.207 7.195648 51.82512 
1 1 1   -6    2   49 f  102.368   30.890   20.618   8.8755   20.147   12.156   21.156   12.989   92.618   35.752   93.165   36.669 -0.5472260 51.21356 
1 1 1   -6    3    1 o  1235.62   13.200  1981.05   42.247  1953.06   58.916  2010.67   60.613  1225.75   18.556  1243.63   18.816 -17.88232 26.42642 
1 1 1   -6    3    2 o  1778.98   17.591  4112.67   81.061  4153.81  115.896  4073.26  113.420  1784.78   25.069  1767.53   24.773 17.24951 35.24393 
1 1 1   -6    3    3 o  649.942   9.1937  547.623   15.478  545.635   21.888  549.612   21.890  648.451   13.031  650.815   12.985 -2.363953 18.39619 
1 1 1   -6    3    4 o  861.469   10.515  962.430   23.464  947.244   32.838  978.270   33.539  854.091   14.843  867.955   14.918 -13.86328 21.04402 
1 1 1   -6    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    3    6 o  299.470   11.240  116.359   8.7194  111.700   12.215  121.200   12.450  292.692   16.174  304.964   15.815 -12.27228 22.62152 
1 1 1   -6    3    7 f  481.318   8.6415  300.407   10.774  286.954   15.013  314.691   15.470  470.123   12.329  492.340   12.130 -22.21655 17.29573 
1 1 1   -6    3    8 o  438.451   12.500  249.734   14.197  258.100   20.283  241.700   19.877  445.075   17.593  430.669   17.818 14.40546 25.04029 
1 1 1   -6    3    9 o  185.317   9.6707   44.697   4.6261   42.036   6.4860   47.452   6.6000  179.194   14.087  190.538   13.459 -11.34441 19.48319 
1 1 1   -6    3   10 o  169.153   10.368   37.305   4.5207   34.365   6.3670   40.294   6.4197  161.651   15.391  175.327   14.259 -13.67537 20.98152 
1 1 1   -6    3   11 o  272.503   9.0289   96.405   6.3732   96.160   9.0427   96.646   8.9836  271.825   12.843  272.523   12.726 -0.6986389 18.08011 
1 1 1   -6    3   12 o  378.448   12.465  186.309   12.220   0.0000   0.0000  186.309   12.220  ?   ?   378.448   12.465 0.000000 12.46521 
1 1 1   -6    3   13 o  293.081   9.2903  111.482   7.0529  116.848   10.124  106.422   9.8309  299.749   13.039  286.043   13.268 13.70618 18.60279 
1 1 1   -6    3   14 o  297.833   9.3211  115.077   7.1910  116.843   10.244  113.362   10.097  299.859   13.189  295.358   13.197 4.500885 18.65787 
1 1 1   -6    3   15 o  913.822   11.216  1083.58   26.548  1130.62   38.778  1042.07   36.422  932.531   16.054  895.344   15.705 37.18762 22.45787 
1 1 1   -6    3   16 o  288.494   14.340  108.059   10.716  108.059   10.716   0.0000   0.0000  288.494   14.340  ?   ?  0.000000 14.34041 
1 1 1   -6    3   17 o  570.824   13.531  422.817   20.006  410.700   27.715  436.000   28.909  562.061   19.036  579.087   19.272 -17.02618 27.08892 
1 1 1   -6    3   18 o  546.098   11.262  386.721   15.930  477.400   30.435  352.504   18.696  606.022   19.388  521.215   13.848 84.80695 23.82579 
1 1 1   -6    3   19 o  739.466   10.669  708.974   20.436  699.037   28.853  718.977   28.947  733.855   15.179  744.265   15.015 -10.41040 21.35065 
1 1 1   -6    3   20 o  429.006   14.595  238.872   16.219   0.0000   0.0000  238.872   16.219  ?   ?   429.006   14.595 0.000000 14.59492 
1 1 1   -6    3   21 o  831.584   11.111  896.834   23.934  886.201   33.760  907.579   33.937  826.081   15.777  836.000   15.672 -9.919067 22.23810 
1 1 1   -6    3   22 o  730.893   12.169  693.100   23.038  694.185   28.157  690.900   40.073  731.147   14.867  728.417   21.239 2.729980 25.92509 
1 1 1   -6    3   23 o  254.422   25.458   85.380   16.553   0.0000   0.0000   85.380   16.553  ?   ?   254.422   25.458 0.000000 25.45832 
1 1 1   -6    3   24 o  271.687   11.893   95.802   8.3697   92.050   12.980   98.472   10.950  265.207   19.021  274.819   15.445 -9.611481 24.50215 
1 1 1   -6    3   25 f  630.146   14.839  516.200   24.221   0.0000   0.0000  516.200   24.221  ?   ?   630.146   14.839 0.000000 14.83886 
1 1 1   -6    3   26 o  388.719   10.779  196.141   10.853  188.996   15.250  203.474   15.450  381.124   15.447  395.495   15.081 -14.37109 21.58827 
1 1 1   -6    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    3   28 o  318.341   14.038  131.937   11.576  131.000   22.139  132.290   13.580  313.772   27.517  318.024   16.543 -4.252350 32.10660 
1 1 1   -6    3   29 o  180.159   19.426   43.018   8.9222   64.940   19.173   36.959   10.080  217.183   35.292  165.743   24.192 51.43985 42.78744 
1 1 1   -6    3   30 o  488.337   10.682  310.248   13.512  316.661   19.673  304.522   18.590  492.162   15.432  482.798   14.865 9.363129 21.42692 
1 1 1   -6    3   31 o  237.960   13.265   74.182   8.1436   67.147   12.350   79.594   10.832  224.250   21.526  245.603   17.134 -21.35295 27.51267 
1 1 1   -6    3   32 o  314.089   12.094  128.838   9.8392  139.293   14.287  119.405   13.570  324.836   17.039  300.526   17.508 24.31003 24.43054 
1 1 1   -6    3   33 o  243.763   13.170   78.058   8.2847   72.172   12.375   82.840   11.153  231.911   20.822  249.872   17.338 -17.96127 27.09570 
1 1 1   -6    3   34 o  159.930   17.443   34.250   7.1090   46.733   10.789   24.671   9.4510  185.089   22.999  131.825   28.507 53.26373 36.62802 
1 1 1   -6    3   35 o  264.827   12.620   92.070   8.6570   98.789   12.546   85.962   11.961  271.936   17.911  253.402   18.347 18.53398 25.63973 
1 1 1   -6    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    3   37 o   66.124   26.091   4.0368   6.5910   5.6490   10.389   2.9510   8.5264   79.742   32.316   69.397   28.820 10.34482 43.30045 
1 1 1   -6    3   38 o  205.809   16.220   57.087   8.5768   67.672   12.570   47.865   11.733  220.505   22.314  183.270   25.397 37.23482 33.80714 
1 1 1   -6    3   39 o   99.309   27.637   14.715   7.3698   3.3488   10.410   26.136   10.435   74.078   31.371  130.581   31.265 -56.50282 44.29080 
1 1 1   -6    3   40 o  299.973   12.334  119.493   9.5834  116.457   13.242  122.831   13.887  291.990   17.590  299.556   17.980 -7.565186 25.15339 
1 1 1   -6    3   41 o  117.242   26.249   20.659   7.7731   10.433   11.230   30.065   10.770   87.792   34.230  138.808   30.763 -51.01628 46.02218 
1 1 1   -6    3   42 o   76.728   28.618   8.0260   7.6304   4.9674   11.759   10.251   10.029   77.460   33.090   85.038   32.563 -7.577751 46.42509 
1 1 1   -6    3   43 o  130.165   27.174   26.335   8.8663   25.737   12.648   26.912   12.433  119.770   37.019  123.146   36.425 -3.376465 51.93416 
1 1 1   -6    3   44 o   54.542   24.986  -2.4823   7.9672  -4.1974   12.093  -1.1668   10.591   63.800   29.766   63.787   29.063 0.1231003E-01 41.60082 
1 1 1   -6    3   45 f  141.381   37.222   37.884   13.819   51.530   19.914   25.210   19.191  149.205   46.506  105.314   43.445 43.89113 63.64151 
1 1 1   -6    3   46 o   85.689   30.661   12.764   8.6233   15.533   11.309   8.9181   13.329   91.006   34.643   79.781   34.662 11.22540 49.00642 
1 1 1   -6    3   47 f   74.619   29.046   8.9310   8.0758   10.380   11.169   7.3440   11.691   79.184   32.943   74.520   32.420 4.664345 46.22020 
1 1 1   -6    3   48 o  135.997   26.895   31.375   9.1387   31.469   13.538   31.295   12.387  117.395   38.531  121.354   36.464 -3.958824 53.04950 
1 1 1   -6    3   49 o   47.504   23.028  -7.9979   8.7945 -22.9462   12.539   6.4768   12.338   47.050   23.609   69.973   31.680 -22.92340 39.50951 
1 1 1   -6    4    1 o  305.518   11.866  121.090   9.3903  117.400   13.352  124.700   13.209  300.063   17.252  309.363   16.543 -9.300018 23.90156 
1 1 1   -6    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    4    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    4    5 o  303.328   11.090  119.372   8.7138  111.400   12.191  127.700   12.460  292.297   16.164  313.482   15.345 -21.18420 22.28739 
1 1 1   -6    4    6 o  716.261   11.198  665.770   20.775  664.627   25.551  668.000   35.686  715.280   13.791  716.075   19.239 -0.7958374 23.67150 
1 1 1   -6    4    7 o  827.633   21.062  894.400   45.153   0.0000   0.0000  894.400   45.153  ?   ?   827.633   21.062 0.000000 21.06186 
1 1 1   -6    4    8 o  718.680   11.395  670.853   21.212  678.600   37.459  667.196   25.736  720.670   20.066  716.228   13.872 4.441772 24.39441 
1 1 1   -6    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    4   10 o  363.349   8.7366  171.366   8.2227  171.460   11.648  171.272   11.609  363.047   12.386  362.853   12.352 0.1938477 17.49252 
1 1 1   -6    4   11 f  715.379   14.026  666.661   25.992   0.0000   0.0000  666.661   25.992  ?   ?   715.379   14.026 0.000000 14.02636 
1 1 1   -6    4   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    4   13 o  673.589   13.775  590.145   24.034   0.0000   0.0000  590.145   24.034  ?   ?   673.589   13.775 0.000000 13.77475 
1 1 1   -6    4   14 o  272.350   9.6526   96.227   6.8096   94.583   9.5793   97.906   9.6820  269.432   13.772  274.490   13.617 -5.057861 19.36722 
1 1 1   -6    4   15 o  444.732   9.3080  256.472   10.723  253.684   15.190  259.241   15.139  442.033   13.266  446.864   13.079 -4.830292 18.62914 
1 1 1   -6    4   16 o  518.727   9.4972  348.857   12.761  338.027   18.185  359.365   17.912  510.322   13.757  526.233   13.141 -15.91071 19.02424 
1 1 1   -6    4   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    4   18 o  469.980   11.328  286.432   13.791  328.700   26.092  270.047   16.246  502.798   20.034  456.205   13.748 46.59268 24.29730 
1 1 1   -6    4   19 o  718.720   10.789  669.776   20.086  682.708   29.065  657.954   27.790  725.193   15.473  711.967   15.069 13.22601 21.59821 
1 1 1   -6    4   20 o  282.992   12.480  103.886   9.1485  109.678   13.281   98.657   12.620  289.999   17.766  274.981   17.814 15.01733 25.15851 
1 1 1   -6    4   21 o  763.712   12.458  756.710   24.644  769.215   30.641  733.800   41.473  769.650   15.370  750.814   21.325 18.83679 26.28620 
1 1 1   -6    4   22 o  342.754   21.410  153.600   18.914   0.0000   0.0000  153.600   18.914  ?   ?   342.754   21.410 0.000000 21.41049 
1 1 1   -6    4   23 o  458.778   10.262  272.994   12.195  269.452   17.537  276.311   16.970  455.431   14.866  461.252   14.204 -5.820526 20.56046 
1 1 1   -6    4   24 o  374.855   10.770  182.315   10.457  175.882   14.470  189.348   15.129  367.857   15.186  381.669   15.303 -13.81177 21.55940 
1 1 1   -6    4   25 o  803.141   11.072  837.208   23.034  838.610   32.890  835.858   32.269  802.920   15.814  801.662   15.540 1.258301 22.17137 
1 1 1   -6    4   26 o  165.192   17.489   35.949   7.3696   25.449   10.694   45.444   10.170  136.245   31.001  185.238   21.600 -48.99240 37.78409 
1 1 1   -6    4   27 o  457.374   20.968  273.700   24.842  273.700   24.842   0.0000   0.0000  457.374   20.968  ?   ?  0.000000 20.96843 
1 1 1   -6    4   28 o  339.210   11.371  149.556   9.9910  138.765   14.195  160.150   14.065  325.621   16.887  350.486   15.492 -24.86493 22.91705 
1 1 1   -6    4   29 o  313.951   14.175  128.511   11.528  134.900   22.126  126.130   13.505  317.790   27.139  310.155   16.874 7.634460 31.95732 
1 1 1   -6    4   30 o  266.572   15.680   93.274   10.779  113.100   21.394   86.529   12.479  289.290   28.939  255.924   18.959 33.36530 34.59624 
1 1 1   -6    4   31 o  405.199   10.760  213.875   11.293  212.768   16.899  214.768   15.182  402.685   16.201  405.105   14.468 -2.419312 21.72068 
1 1 1   -6    4   32 o  435.994   10.853  247.910   12.257  256.502   17.730  240.046   16.964  441.903   15.489  427.558   15.317 14.34424 21.78371 
1 1 1   -6    4   33 o  161.286   17.674   34.786   7.2631   43.837   10.786   27.277   9.8240  179.178   23.831  139.214   28.209 39.96463 36.92825 
1 1 1   -6    4   34 o  232.372   13.777   71.189   8.2553   63.008   11.752   79.158   11.599  215.908   21.291  243.385   18.538 -27.47707 28.22997 
1 1 1   -6    4   35 o  229.339   13.417   69.422   7.9356   60.583   10.735   80.073   11.784  211.838   19.792  244.243   18.769 -32.40472 27.27670 
1 1 1   -6    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    4   37 o  205.239   14.778   56.230   7.8041   70.516   11.063   42.078   11.011  227.880   18.912  172.362   25.426 55.51808 31.68814 
1 1 1   -6    4   38 o  157.067   19.023   33.932   7.5819   35.000   10.632   32.827   10.815  154.943   27.497  149.001   29.066 5.942429 40.01147 
1 1 1   -6    4   39 o  126.090   22.253   22.658   7.0022   25.565   9.7189   19.521   10.097  129.995   29.534  111.935   32.746 18.06025 44.09714 
1 1 1   -6    4   40 o  114.927   25.147   19.513   7.2779   16.073   9.8088   23.726   10.856  101.513   32.764  121.958   33.388 -20.44483 46.77820 
1 1 1   -6    4   41 o   65.980   26.912   3.8944   7.2607   12.618   9.8374  -6.5443   10.761   91.434   32.745   59.858   27.978 31.57563 43.06961 
1 1 1   -6    4   42 o   63.753   26.560   3.1398   7.2746   3.6993   9.5999   2.3852   11.149   70.686   30.040   71.966   31.475 -1.280014 43.50952 
1 1 1   -6    4   43 o  186.152   17.257   48.406   8.2264   43.258   11.773   53.318   11.499  166.300   28.348  189.355   23.982 -23.05493 37.13137 
1 1 1   -6    4   44 o   84.218   32.527   11.179   10.067   7.4250   15.525   13.903   13.223   82.934   36.675   90.928   36.595 -7.994110 51.80943 
1 1 1   -6    4   45 o   66.053   30.859  -2.8766   13.067   26.280   20.230 -23.7500   17.117  105.482   44.148   59.349   29.426 46.13367 53.05596 
1 1 1   -6    4   46 o   62.826   27.711   2.2554   8.8078   2.0271   12.618   2.4723   12.301   69.595   31.714   69.631   31.569 -0.3619385E-01 44.74757 
1 1 1   -6    4   47 o   94.151   31.981   16.774   9.3136   17.741   13.171   15.806   13.172   91.951   36.691   88.504   36.190 3.446663 51.53616 
1 1 1   -6    4   48 o   65.759   27.665   5.6916   8.0101  -0.2462   10.553   13.761   12.303   60.848   28.190   82.804   34.522 -21.95596 44.56968 
1 1 1   -6    4   49 o   82.855   33.618   15.077   11.257   2.8800   22.186   19.307   13.064   72.885   35.608   88.630   36.119 -15.74480 50.71988 
1 1 1   -6    5    1 o  625.186   13.136  507.369   21.273  512.700   30.320  502.200   29.855  627.740   18.646  621.293   18.551 6.446838 26.30290 
1 1 1   -6    5    2 o  668.937   13.469  580.967   23.339  557.000   32.199  607.500   33.879  654.203   19.001  683.191   19.144 -28.98810 26.97275 
1 1 1   -6    5    3 o  664.778   18.445  575.100   31.762  575.100   31.762   0.0000   0.0000  664.778   18.445  ?   ?  0.000000 18.44519 
1 1 1   -6    5    4 o  404.389   11.378  212.205   11.918  221.400   17.040  203.400   16.675  412.674   15.941  395.511   16.276 17.16272 22.78214 
1 1 1   -6    5    5 o  750.930   9.9575  731.521   19.369  720.134   27.155  743.312   27.634  744.458   14.082  756.340   14.105 -11.88171 19.93133 
1 1 1   -6    5    6 o  328.473   8.4435  139.925   7.1841  144.442   10.309  135.661   10.017  333.511   11.933  323.211   11.965 10.29916 16.89822 
1 1 1   -6    5    7 o  325.519   12.956  137.741   10.924  139.200   15.786  136.400   15.133  326.057   18.771  322.861   18.169 3.195984 26.12351 
1 1 1   -6    5    8 o  405.800   8.6684  213.681   9.1117  207.200   12.857  220.222   12.916  399.200   12.433  411.593   12.114 -12.39307 17.35911 
1 1 1   -6    5    9 o   63.416   19.025   5.3128   3.3741   6.8205   4.8139   3.8568   4.7305   72.513   22.906   61.096   22.584 11.41750 32.16654 
1 1 1   -6    5   10 o  564.576   9.2273  413.873   13.494  407.430   19.040  420.375   19.127  559.437   13.139  568.287   12.994 -8.849670 18.47922 
1 1 1   -6    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    5   12 o  989.667   11.672  1272.90   29.922  1267.64   42.241  1278.19   42.390  985.914   16.540  990.012   16.530 -4.098022 23.38447 
1 1 1   -6    5   13 o  266.433   13.268   92.264   9.1567   0.0000   0.0000   92.264   9.1567  ?   ?   266.433   13.268 0.000000 13.26793 
1 1 1   -6    5   14 o  188.030   11.494   46.058   5.5711   48.543   8.1827   43.911   7.6063  192.471   16.574  183.036   16.211 9.435501 23.18403 
1 1 1   -6    5   15 o  568.431   9.5576  418.972   14.073  423.146   20.024  414.899   19.782  570.918   13.540  565.331   13.509 5.587219 19.12651 
1 1 1   -6    5   16 o  606.813   13.451  477.844   21.143  470.200   29.428  486.000   30.397  601.363   18.892  611.345   19.195 -9.981812 26.93232 
1 1 1   -6    5   17 o  144.631   23.619   27.941   8.5429   26.860   13.460   28.670   11.055  140.488   36.615  145.457   30.324 -4.968170 47.54135 
1 1 1   -6    5   18 o  463.055   9.9005  277.973   11.875  275.665   16.777  280.289   16.811  460.906   14.053  464.761   13.964 -3.855225 19.81087 
1 1 1   -6    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    5   20 o  571.235   11.942  423.256   17.670  416.947   21.940  434.900   29.807  566.721   14.946  578.268   19.899 -11.54755 24.88700 
1 1 1   -6    5   21 o  685.476   20.761  611.600   36.863   0.0000   0.0000  611.600   36.863  ?   ?   685.476   20.761 0.000000 20.76123 
1 1 1   -6    5   22 o  424.198   10.288  233.370   11.304  240.331   16.377  227.035   15.623  430.175   14.697  418.127   14.425 12.04831 20.59326 
1 1 1   -6    5   23 o  255.509   12.300   84.737   8.1406   80.136   11.071   90.152   12.012  247.610   17.371  262.648   17.760 -15.03781 24.84271 
1 1 1   -6    5   24 o  622.580   10.371  502.876   16.724  489.610   24.147  515.107   23.186  613.707   15.190  629.629   14.216 -15.92126 20.80486 
1 1 1   -6    5   25 o  562.507   10.386  410.611   15.133  415.532   21.478  405.760   21.325  565.316   14.667  558.619   14.737 6.697632 20.79237 
1 1 1   -6    5   26 o  153.883   21.204   31.522   8.2274   36.500   14.009   28.901   10.165  162.983   34.269  145.859   27.922 17.12354 44.20420 
1 1 1   -6    5   27 o  340.561   18.221  151.850   16.016  169.600   24.445  138.500   21.199  357.875   26.559  323.503   25.505 34.37183 36.82253 
1 1 1   -6    5   28 o  499.286   14.365  324.793   18.578   0.0000   0.0000  324.793   18.578  ?   ?   499.286   14.365 0.000000 14.36461 
1 1 1   -6    5   29 o  355.710   11.484  164.635   10.582  172.785   15.447  157.429   14.525  363.535   16.403  347.054   16.157 16.48117 23.02463 
1 1 1   -6    5   30 o  379.062   13.446  187.554   13.202  168.900   25.139  194.659   15.514  354.357   27.605  385.675   15.529 -31.31760 31.67323 
1 1 1   -6    5   31 o  196.619   17.669   51.273   8.9027   87.960   20.872   43.114   9.8430  251.900   32.763  179.069   21.661 72.83105 39.27646 
1 1 1   -6    5   32 o  281.900   15.237  104.682   11.085   96.500   21.594  107.609   12.917  263.036   32.376  285.040   17.580 -22.00436 36.84124 
1 1 1   -6    5   33 o   58.837   24.646   1.1616   6.3127   5.4831   9.7434  -1.9649   8.2874   79.659   31.630   60.483   26.768 19.17678 41.43677 
1 1 1   -6    5   34 o   95.687   25.961   12.913   6.5983   18.393   9.4132   7.6183   9.2517  112.993   31.155   82.992   31.396 30.00155 44.23031 
1 1 1   -6    5   35 o  271.970   12.818   97.230   9.0297   89.006   12.878  105.184   12.665  257.090   19.483  280.595   17.512 -23.50461 26.19640 
1 1 1   -6    5   36 o  134.051   45.470   28.650   18.827   28.650   18.827   0.0000   0.0000  134.051   45.470  ?   ?  0.000000 45.47012 
1 1 1   -6    5   37 o  185.218   16.968   46.338   8.0501   50.549   11.492   42.282   11.280  189.855   23.899  172.184   26.109 17.67110 35.39507 
1 1 1   -6    5   38 o  212.783   13.641   60.398   7.4787   56.397   10.882   63.979   10.295  201.537   21.162  216.413   18.544 -14.87660 28.13740 
1 1 1   -6    5   39 f  229.190   14.939   70.691   8.8201   69.845   12.457   71.540   12.490  223.163   21.830  226.056   21.592 -2.893677 30.70469 
1 1 1   -6    5   40 o  211.993   15.799   61.020   8.6134   56.376   12.592   65.104   11.808  196.926   25.268  214.919   21.500 -17.99367 33.17662 
1 1 1   -6    5   41 o  349.898   12.224  163.136   11.079  177.218   16.714  152.099   14.798  358.427   18.060  332.930   17.218 25.49774 24.95230 
1 1 1   -6    5   42 o  108.789   28.488   18.654   8.1226   27.022   12.198   11.988   10.887  125.251   35.804   89.142   33.978 36.10883 49.35971 
1 1 1   -6    5   43 o   79.013   30.039   9.0349   8.4962   11.123   12.063   6.9795   11.969   86.666   34.927   79.259   33.606 7.406792 48.46897 
1 1 1   -6    5   44 o   99.822   33.991   17.840   10.522   32.210   16.046   7.0000   13.936  123.689   41.978   80.215   35.134 43.47370 54.74074 
1 1 1   -6    5   45 o   91.885   34.578   15.481   11.187   29.760   20.524   9.4456   13.344  109.097   44.958   81.440   35.032 27.65695 56.99482 
1 1 1   -6    5   46 o  171.079   19.826   43.356   8.6229   51.636   11.936   34.316   12.471  178.488   26.631  133.729   35.435 44.75896 44.32637 
1 1 1   -6    5   47 o   83.479   30.641   12.655   8.6837   9.1633   12.293   16.132   12.268   77.106   33.394   89.008   35.445 -11.90196 48.69812 
1 1 1   -6    5   48 o   98.015   31.087   18.670   8.8597   20.689   12.170   16.393   12.922   95.558   36.043   86.444   35.654 9.114716 50.69784 
1 1 1   -6    6    1 o  785.335   11.650  800.479   23.699   0.0000   0.0000  800.479   23.699  ?   ?   785.335   11.650 0.000000 11.65015 
1 1 1   -6    6    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    6    3 o  828.198   21.224  895.100   45.531  895.100   45.531   0.0000   0.0000  828.198   21.224  ?   ?  0.000000 21.22382 
1 1 1   -6    6    4 o  521.342   10.303  352.696   13.914  350.400   24.616  353.774   16.867  518.567   18.326  521.905   12.476 -3.337891 22.16995 
1 1 1   -6    6    5 o  382.028   8.5057  189.297   8.4170  196.805   12.092  182.239   11.723  389.252   11.993  374.562   12.083 14.69003 17.02426 
1 1 1   -6    6    6 o  327.284   18.851  140.300   15.913   0.0000   0.0000  140.300   15.913  ?   ?   327.284   18.851 0.000000 18.85066 
1 1 1   -6    6    7 o  433.466   10.242  244.007   11.500  252.200   21.105  240.547   13.715  439.336   18.546  430.124   12.309 9.211731 22.25905 
1 1 1   -6    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    6    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    6   10 o  179.855   10.794   42.189   5.0056   49.655   7.2025   35.214   6.9618  194.686   14.384  163.391   16.683 31.29527 22.02786 
1 1 1   -6    6   11 o  788.219   14.686  809.313   29.985   0.0000   0.0000  809.313   29.985  ?   ?   788.219   14.686 0.000000 14.68601 
1 1 1   -6    6   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    6   13 o  534.695   9.3957  370.871   13.013  365.378   18.533  376.213   18.277  530.273   13.493  538.127   13.112 -7.853882 18.81403 
1 1 1   -6    6   14 o  415.121   9.2727  223.461   9.9709  225.029   14.299  221.978   13.911  416.308   13.260  413.497   12.988 2.810577 18.56085 
1 1 1   -6    6   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    6   16 o  1120.37   17.837  1631.18   51.764  1615.00   72.498  1648.00   73.933  1112.96   25.147  1124.21   25.389 -11.24158 35.73489 
1 1 1   -6    6   17 o  475.073   13.935  292.875   17.148  329.600   26.324  265.800   22.602  503.445   20.186  452.181   19.297 51.26471 27.92581 
1 1 1   -6    6   18 o  709.859   10.640  653.356   19.564  682.933   28.378  626.563   27.009  725.338   15.104  694.768   15.008 30.56970 21.29221 
1 1 1   -6    6   19 o  387.145   21.296  195.600   21.274   0.0000   0.0000  195.600   21.274  ?   ?   387.145   21.296 0.000000 21.29610 
1 1 1   -6    6   20 o  1422.83   17.445  2630.77   64.294  2617.34   78.556  2658.00  111.895  1418.00   21.387  1425.36   30.306 -7.364014 37.09303 
1 1 1   -6    6   21 o  176.961   16.074   41.017   7.2878   47.644   10.288   34.343   10.325  190.112   21.256  160.232   25.748 29.87933 33.38856 
1 1 1   -6    6   22 o  374.171   10.499  181.596   10.176  177.500   13.972  186.222   14.850  369.673   14.591  378.604   15.142 -8.931366 21.02853 
1 1 1   -6    6   23 o  354.294   15.032  163.125   13.796   0.0000   0.0000  163.125   13.796  ?   ?   354.294   15.032 0.000000 15.03234 
1 1 1   -6    6   24 o  318.384   16.916  132.289   13.901   0.0000   0.0000  132.289   13.901  ?   ?   318.384   16.916 0.000000 16.91619 
1 1 1   -6    6   25 o  439.290   10.879  250.501   12.380  247.658   17.649  253.254   17.369  436.265   15.618  441.221   15.197 -4.956055 21.79163 
1 1 1   -6    6   26 o  330.941   14.913  142.544   12.784  141.900   16.923  143.400   19.510  328.971   19.954  330.061   22.963 -1.090332 30.42166 
1 1 1   -6    6   27 o  180.929   21.896   43.523   10.053   53.460   20.844   40.511   11.476  195.231   42.430  173.446   26.374 21.78549 49.95833 
1 1 1   -6    6   28 o  159.793   18.006   33.811   7.3230   45.820   10.980   24.189   9.8280  185.135   23.420  132.428   29.416 52.70715 37.60056 
1 1 1   -6    6   29 o  397.536   10.912  205.597   11.236  206.890   15.887  204.303   15.894  397.901   15.414  395.382   15.519 2.519318 21.87319 
1 1 1   -6    6   30 o  336.751   11.877  147.826   10.360  147.511   15.080  148.107   14.258  334.707   17.454  336.095   16.377 -1.388306 23.93422 
1 1 1   -6    6   31 o  158.352   23.317   34.092   9.2780   26.330   21.151   35.941   10.324  137.535   48.132  161.977   25.446 -24.44225 54.44417 
1 1 1   -6    6   32 f  209.555   17.884   58.439   9.6145   56.730   20.493   58.921   10.887  195.708   41.700  209.626   20.304 -13.91783 46.38068 
1 1 1   -6    6   33 o  186.668   19.115   46.771   9.1125   58.040   17.513   42.587   10.671  200.769   34.944  176.268   23.994 24.50037 42.38911 
1 1 1   -6    6   34 o  125.840   22.479   21.928   7.0585   3.2141   10.048   40.163   9.9182   75.388   31.295  171.089   22.959 -95.70109 38.81369 
1 1 1   -6    6   35 f  145.254   20.143   28.847   7.3747   37.320   12.943   24.773   8.9740  159.735   32.389  131.693   27.207 28.04149 42.29960 
1 1 1   -6    6   36 o  102.674   35.223   15.114   11.300   13.230   19.685   16.040   13.800  108.113   44.229  106.644   38.705 1.469032 58.77322 
1 1 1   -6    6   37 o  127.520   21.907   22.861   6.9756   31.952   11.043   16.825   8.9978  146.812   30.051  106.044   30.880 40.76804 43.08886 
1 1 1   -6    6   38 o  190.303   16.878   49.181   8.2334   55.737   11.949   43.256   11.361  198.417   23.719  172.963   26.176 25.45448 35.32370 
1 1 1   -6    6   39 o   66.515   26.254   4.4999   6.6762   11.227   10.124  -0.6753   8.8804   89.404   33.041   62.517   27.687 26.88753 43.10751 
1 1 1   -6    6   40 o  215.890   15.624   63.288   8.6785   60.142   12.439   66.271   12.114  204.272   23.965  216.253   21.928 -11.98093 32.48311 
1 1 1   -6    6   41 o  176.987   17.672   43.435   7.9933   49.984   10.977   36.041   11.663  185.653   23.342  151.480   30.773 34.17235 38.62395 
1 1 1   -6    6   42 o  109.939   26.076   18.609   7.3134   11.856   9.7381   27.344   11.076   87.787   32.412  128.015   33.142 -40.22818 46.35637 
1 1 1   -6    6   43 f  194.404   18.159   53.421   9.0382   38.301   12.668   69.098   12.899  150.141   33.432  215.492   23.489 -65.35132 40.85854 
1 1 1   -6    6   44 o  112.225   41.997   27.220   16.458   27.220   16.458   0.0000   0.0000  112.225   41.997  ?   ?  0.000000 41.99687 
1 1 1   -6    6   45 o   89.304   29.999   13.813   8.1944   10.145   13.069   16.189   10.519   81.841   34.921   93.481   33.813 -11.63980 48.60868 
1 1 1   -6    6   46 o  109.456   31.413   21.858   9.3721   24.471   13.305   19.286   13.204  106.469   38.086   95.929   37.196 10.53988 53.23652 
1 1 1   -6    6   47 o   61.454   27.025   2.8273   8.3189  -5.4122   12.938   8.6347   10.862   60.803   29.076   74.823   31.879 -14.01992 43.14742 
1 1 1   -6    6   48 o  135.325   27.979   32.261   9.4838   28.300   13.437   36.193   13.387  107.909   38.310  126.556   37.880 -18.64766 53.87568 
1 1 1   -6    7    1 o  662.410   9.5322  569.316   16.356  581.428   23.440  557.823   22.833  668.810   13.530  655.106   13.456 13.70422 19.08176 
1 1 1   -6    7    2 o  495.366   10.029  318.462   12.869  356.900   24.283  303.448   15.176  523.245   17.916  483.322   12.122 39.92279 21.63140 
1 1 1   -6    7    3 o  493.170   12.920  316.126   16.505  305.000   23.165  327.600   23.524  483.513   18.495  501.180   18.120 -17.66669 25.89251 
1 1 1   -6    7    4 f  537.219   13.146  375.263   18.294  366.500   25.745  384.200   25.999  529.829   18.759  542.532   18.500 -12.70239 26.34685 
1 1 1   -6    7    5 o  468.996   13.008  286.083   15.802  274.100   22.241  298.300   22.456  458.029   18.746  477.954   18.139 -19.92465 26.08486 
1 1 1   -6    7    6 o  623.069   19.590  508.100   31.617  508.100   31.617   0.0000   0.0000  623.069   19.590  ?   ?  0.000000 19.59001 
1 1 1   -6    7    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    7    8 o  681.129   9.7622  602.614   17.224  590.475   24.153  615.174   24.568  673.247   13.850  687.197   13.802 -13.95044 19.55295 
1 1 1   -6    7    9 o  172.598   10.935   38.875   4.8635   37.022   6.9042   40.700   6.8520  167.668   16.095  176.024   15.176 -8.356201 22.12144 
1 1 1   -6    7   10 o  435.328   9.0065  245.993   10.156  234.674   14.241  257.707   14.487  424.690   12.946  445.104   12.565 -20.41367 18.04112 
1 1 1   -6    7   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    7   12 o  865.495   15.434  974.623   34.602   0.0000   0.0000  974.623   34.602  ?   ?   865.495   15.434 0.000000 15.43447 
1 1 1   -6    7   13 o  272.593   13.778   96.766   9.6972   0.0000   0.0000   96.766   9.6972  ?   ?   272.593   13.778 0.000000 13.77824 
1 1 1   -6    7   14 f  782.607   14.910  795.484   30.225   0.0000   0.0000  795.484   30.225  ?   ?   782.607   14.910 0.000000 14.90989 
1 1 1   -6    7   15 o  859.877   15.331  960.111   34.148  938.700   47.407  983.200   49.229  849.160   21.553  868.988   21.870 -19.82861 30.70543 
1 1 1   -6    7   16 o  1106.68   14.680  1589.74   42.083  1572.75   50.994  1626.00   74.518  1100.16   17.894  1116.66   25.763 -16.50049 31.36736 
1 1 1   -6    7   17 o  351.503   23.400  161.600   21.184  161.600   21.184   0.0000   0.0000  351.503   23.400  ?   ?  0.000000 23.39993 
1 1 1   -6    7   18 o  567.238   20.500  418.500   30.121   0.0000   0.0000  418.500   30.121  ?   ?   567.238   20.500 0.000000 20.50025 
1 1 1   -6    7   19 o  329.943   22.461  142.400   19.082   0.0000   0.0000  142.400   19.082  ?   ?   329.943   22.461 0.000000 22.46105 
1 1 1   -6    7   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    7   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    7   22 o  738.872   15.281  709.419   29.245   0.0000   0.0000  709.419   29.245  ?   ?   738.872   15.281 0.000000 15.28050 
1 1 1   -6    7   23 o  416.454   10.932  225.051   11.793  241.394   16.693  208.769   16.662  430.953   14.954  400.666   16.055 30.28711 21.94020 
1 1 1   -6    7   24 o  476.400   10.627  294.540   13.114  279.348   18.126  311.228   18.997  463.473   15.098  489.219   14.991 -25.74664 21.27662 
1 1 1   -6    7   25 o  884.800   11.732  1016.79   26.889  1002.68   38.143  1030.73   37.913  877.351   16.784  889.641   16.452 -12.29041 23.50243 
1 1 1   -6    7   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    7   28 o  283.124   11.949  104.312   8.7634  104.725   12.473  103.909   12.315  282.478   17.127  281.404   16.974 1.074554 24.11393 
1 1 1   -6    7   29 o  208.908   14.860   57.311   7.9890   54.164   10.960   60.880   11.670  201.586   21.312  213.831   21.355 -12.24475 30.17005 
1 1 1   -6    7   30 f  353.983   11.579  163.362   10.617  159.790   15.177  166.785   14.858  348.827   16.797  356.584   16.085 -7.756927 23.25686 
1 1 1   -6    7   31 o  175.401   26.200   42.234   11.539   42.234   11.539   0.0000   0.0000  175.401   26.200  ?   ?  0.000000 26.19968 
1 1 1   -6    7   32 o  170.283   19.758   39.018   8.5532   50.750   19.694   36.291   9.4954  184.127   42.196  163.027   23.134 21.09988 48.12178 
1 1 1   -6    7   33 o  320.084   14.202  134.738   11.775  171.800   23.381  122.144   13.630  354.635   25.625  303.130   17.432 51.50455 30.99187 
1 1 1   -6    7   34 o   74.102   29.203   5.0408   8.2476   12.880   19.818   3.3987   9.0703  110.270   44.652   72.791   29.929 37.47848 53.75469 
1 1 1   -6    7   35 o  165.596   32.901   40.350   13.615   40.350   13.615   0.0000   0.0000  165.596   32.901  ?   ?  0.000000 32.90054 
1 1 1   -6    7   36 o  114.361   30.075   19.377   9.0279   51.630   20.235   11.361   10.088  177.581   44.173   91.944   33.134 85.63708 55.21859 
1 1 1   -6    7   37 o  115.284   25.041   19.251   7.2638   14.616   10.418   23.636   10.133   99.553   33.823  124.845   31.373 -25.29185 46.13300 
1 1 1   -6    7   38 o   93.100   26.421   12.808   6.6675   8.2264   9.4291   17.389   9.4295   81.863   31.519  106.323   31.785 -24.46027 44.76283 
1 1 1   -6    7   39 o  174.011   17.672   41.636   7.8551   43.735   10.985   39.440   11.237  173.485   25.180  162.882   27.620 10.60277 37.37547 
1 1 1   -6    7   40 o  193.578   16.940   51.444   8.4085   54.222   12.594   49.209   11.295  191.809   26.019  184.030   24.287 7.779404 35.59317 
1 1 1   -6    7   41 o  295.406   17.808  120.799   13.563   0.0000   0.0000  120.799   13.563  ?   ?   295.406   17.808 0.000000 17.80838 
1 1 1   -6    7   42 o  194.053   18.547   53.055   9.2090   68.743   13.515   39.457   12.582  214.669   24.759  155.016   32.379 59.65256 40.76040 
1 1 1   -6    7   43 f  162.119   22.182   38.922   9.0708   42.445   13.402   35.943   12.322  157.024   33.940  144.428   33.574 12.59666 47.74025 
1 1 1   -6    7   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    7   45 f   69.904   29.216   6.0410   8.8415   4.9205   12.430   7.1883   12.578   73.124   32.552   76.477   33.441 -3.352768 46.66829 
1 1 1   -6    7   46 o  138.165   23.789   30.181   8.2068   30.791   11.537   29.555   11.677  126.504   34.331  122.653   35.019 3.851379 49.04037 
1 1 1   -6    7   47 o   81.458   29.901   12.138   8.2696   14.995   10.760   8.0143   12.926   86.419   33.558   74.778   33.246 11.64102 47.23845 
1 1 1   -6    7   48 o   48.608   23.353  -6.2891   8.5641 -18.0068   12.243   4.9393   11.984   49.081   24.427   67.979   30.951 -18.89825 39.42852 
1 1 1   -6    8    1 o   58.968   19.335   4.3605   3.4091  -3.3010   4.6683   13.115   4.9903   41.691   19.109   98.355   20.262 -56.66458 27.85097 
1 1 1   -6    8    2 o  464.432   12.552  280.502   15.100   0.0000   0.0000  280.502   15.100  ?   ?   464.432   12.552 0.000000 12.55176 
1 1 1   -6    8    3 f  490.717   10.192  312.753   12.955  350.600   24.429  297.946   15.280  517.974   18.208  478.650   12.324 39.32336 21.98641 
1 1 1   -6    8    4 f  1085.25   17.580  1538.71   49.419  1555.00   70.538  1523.00   69.257  1086.13   25.072  1075.04   24.871 11.08337 35.31532 
1 1 1   -6    8    5 o  782.881   14.871  798.996   30.158  810.500   43.139  788.000   42.176  785.868   21.192  774.970   21.010 10.89813 29.84183 
1 1 1   -6    8    6 o  533.382   10.747  369.770   14.849  360.700   26.257  374.034   18.004  524.738   19.318  536.018   12.967 -11.27942 23.26619 
1 1 1   -6    8    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    8    8 o  321.982   9.1157  134.604   7.6028  140.232   10.886  129.246   10.622  328.250   12.803  315.104   13.014 13.14597 18.25648 
1 1 1   -6    8    9 o  361.148   9.1780  169.314   8.5858  168.305   12.259  170.286   12.029  359.634   13.159  361.785   12.836 -2.151398 18.38287 
1 1 1   -6    8   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    8   11 o  458.025   9.2296  272.163   10.950  264.788   15.505  279.502   15.467  451.373   13.262  463.791   12.874 -12.41806 18.48294 
1 1 1   -6    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    8   13 o  449.422   13.287  262.214   15.468   0.0000   0.0000  262.214   15.468  ?   ?   449.422   13.287 0.000000 13.28710 
1 1 1   -6    8   14 o  1137.13   17.956  1680.98   52.889  1686.00   74.967  1676.00   74.628  1136.70   25.461  1133.33   25.421 3.362793 35.97895 
1 1 1   -6    8   15 o  533.479   11.162  369.089   15.424  382.237   19.531  347.300   25.143  542.701   13.894  516.866   18.780 25.83441 23.36056 
1 1 1   -6    8   16 o  803.593   15.726  838.472   32.735  938.700   50.060  763.600   43.267  849.095   22.761  765.984   21.807 83.11096 31.52093 
1 1 1   -6    8   17 o  753.691   12.491  736.879   24.385  746.161   30.456  720.300   40.704  758.098   15.509  744.069   21.119 14.02887 26.20221 
1 1 1   -6    8   18 o  586.684   12.110  446.480   18.403  441.993   22.981  454.500   30.727  583.469   15.205  591.133   20.067 -7.663635 25.17708 
1 1 1   -6    8   19 o  1186.43   13.361  1826.78   41.061  1808.54   57.646  1845.55   58.500  1179.30   18.871  1191.29   18.958 -11.98462 26.74914 
1 1 1   -6    8   20 o  769.846   15.294  769.827   30.497   0.0000   0.0000  769.827   30.497  ?   ?   769.846   15.294 0.000000 15.29355 
1 1 1   -6    8   21 o  875.099   11.364  993.586   25.760  988.614   36.459  998.542   36.402  872.121   16.139  876.510   16.033 -4.388367 22.74910 
1 1 1   -6    8   22 o  334.023   11.253  144.781   9.7361  141.130   13.607  148.610   13.937  329.465   15.944  338.086   15.914 -8.621399 22.52723 
1 1 1   -6    8   23 o  287.605   12.397  107.412   9.2354   98.118   12.882  117.240   13.247  273.863   18.264  299.635   17.139 -25.77216 25.04649 
1 1 1   -6    8   24 o  571.431   10.591  423.826   15.677  426.750   22.643  421.135   21.725  572.733   15.263  569.038   14.739 3.694641 21.21782 
1 1 1   -6    8   25 o  515.255   14.412  345.418   19.236  342.600   26.616  348.500   27.832  512.057   20.066  516.276   20.812 -4.218750 28.90984 
1 1 1   -6    8   26 o  273.657   22.173   98.827   15.583  132.500   23.704   73.200   20.679  315.122   29.378  231.598   35.611 83.52368 46.16489 
1 1 1   -6    8   27 o  311.688   11.707  126.344   9.4519  124.749   13.597  127.834   13.148  308.540   17.080  312.504   16.299 -3.964020 23.60887 
1 1 1   -6    8   28 o  479.096   10.812  298.544   13.417  308.504   19.972  290.352   18.113  485.837   15.870  471.599   14.828 14.23782 21.71939 
1 1 1   -6    8   29 o  393.055   10.774  201.123   10.970  197.031   15.251  205.508   15.790  388.058   15.172  396.262   15.383 -8.204254 21.60630 
1 1 1   -6    8   30 f  259.897   18.085   89.418   12.099   0.0000   0.0000   89.418   12.099  ?   ?   259.897   18.085 0.000000 18.08538 
1 1 1   -6    8   31 o  198.007   16.263   51.951   8.2674   56.829   11.769   47.199   11.617  205.114   22.521  185.921   24.735 19.19267 33.45177 
1 1 1   -6    8   32 o  170.019   16.485   38.501   7.1689   44.427   10.558   33.433   9.7647  180.495   23.114  155.497   25.098 24.99800 34.11967 
1 1 1   -6    8   33 o  243.546   13.692   78.219   8.6025   63.564   12.748   90.473   11.657  215.835   23.164  260.608   17.367 -44.77341 28.95138 
1 1 1   -6    8   34 o  168.559   21.892   38.967   9.3327   35.360   21.899   39.767   10.316  147.969   49.027  169.291   24.216 -21.32260 54.68094 
1 1 1   -6    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    8   36 f  221.983   13.774   65.544   7.8811   60.155   11.501   70.315   10.822  208.687   21.587  227.590   18.517 -18.90312 28.44098 
1 1 1   -6    8   37 o  144.115   20.719   28.994   7.5119   39.844   10.786   18.776   10.468  166.285   25.884  110.295   33.606 55.99048 42.41875 
1 1 1   -6    8   38 o  114.586   25.122   19.292   7.2509   17.053   10.384   21.423   10.130  104.591   33.705  117.020   32.341 -12.42854 46.71190 
1 1 1   -6    8   39 o   56.187   24.524   0.0491   6.7370  -1.2341   9.8164   1.1916   9.2626   64.175   28.721   66.442   28.882 -2.267639 40.73127 
1 1 1   -6    8   40 o   52.247   23.600  -2.0632   6.8023  -5.0515   10.436   0.1440   8.9692   60.453   28.016   63.340   27.950 -2.887131 39.57368 
1 1 1   -6    8   41 o  128.226   25.875   24.953   8.2979   34.778   11.987   15.913   11.498  146.129   32.507   98.204   35.377 47.92484 48.04425 
1 1 1   -6    8   42 o   93.405   28.051   13.940   7.3321   18.281   11.628   11.075   9.4465  101.977   35.689   84.815   31.802 17.16117 47.80208 
1 1 1   -6    8   43 o  109.782   30.183   20.322   8.8496   40.116   12.585   0.9590   12.447  153.171   32.713   70.085   31.766 83.08606 45.59876 
1 1 1   -6    8   44 o   53.087   26.893 -45.7000   18.595 -45.7000   18.595   0.0000   0.0000   53.087   26.893  ?   ?  0.000000 26.89336 
1 1 1   -6    8   45 o  150.444   24.318   35.666   9.1535   54.012   12.421   13.863   13.541  181.669   27.235   86.607   36.172 95.06195 45.27908 
1 1 1   -6    8   46 f   71.171   28.692   7.6573   8.1431   17.236   11.490  -2.0099   11.543   91.904   34.934   61.731   28.892 30.17297 45.33403 
1 1 1   -6    8   47 o   46.421   22.433  -7.8276   8.1836 -12.7781   11.010  -1.7151   12.234   50.105   24.603   62.072   29.268 -11.96735 38.23538 
1 1 1   -6    8   48 o   78.599   29.637   12.012   8.2271   10.536   11.539   13.538   11.733   74.709   32.355   79.583   33.482 -4.873611 46.56057 
1 1 1   -6    9    1 o   71.110   20.288   6.7930   3.9207   11.305   5.6522   2.6084   5.4430   90.988   23.734   59.795   23.673 31.19366 33.52174 
1 1 1   -6    9    2 o   46.845   19.505   0.6357   3.9202  -0.9392   5.6669   2.0811   5.4288   51.806   22.555   58.227   23.443 -6.420860 32.53152 
1 1 1   -6    9    3 o  511.752   13.332  341.058   17.673  346.500   25.212  335.800   24.781  514.391   18.922  506.395   18.892 7.995850 26.73843 
1 1 1   -6    9    4 o  382.493   10.482  190.135   10.386  174.100   18.641  197.352   12.506  363.876   19.852  389.419   12.398 -25.54224 23.40560 
1 1 1   -6    9    5 f  341.515   11.177  151.649   9.8873  141.900   17.442  156.264   12.002  328.199   20.622  346.382   13.376 -18.18216 24.58040 
1 1 1   -6    9    6 o  398.035   13.795  206.390   14.223  191.700   20.108  221.100   20.122  381.772   20.408  410.931   18.904 -29.15897 27.81749 
1 1 1   -6    9    7 o  379.944   13.897  188.013   13.677  190.400   19.961  185.900   18.778  380.622   20.319  376.346   19.328 4.275574 28.04362 
1 1 1   -6    9    8 o  463.829   10.726  279.479   12.887  306.500   24.444  269.078   15.166  484.052   19.495  454.813   12.873 29.23895 23.36189 
1 1 1   -6    9    9 o  358.264   9.2386  166.558   8.5735  161.023   12.199  171.962   12.052  351.887   13.383  363.707   12.793 -11.81976 18.51392 
1 1 1   -6    9   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    9   11 o  475.851   9.4045  293.687   11.592  299.203   16.691  288.548   16.111  479.942   13.426  471.342   13.196 8.600189 18.82522 
1 1 1   -6    9   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    9   13 o  464.402   17.971  280.400   21.618  280.400   21.618   0.0000   0.0000  464.402   17.971  ?   ?  0.000000 17.97095 
1 1 1   -6    9   14 o  856.019   21.630  953.900   47.961   0.0000   0.0000  953.900   47.961  ?   ?   856.019   21.630 0.000000 21.62976 
1 1 1   -6    9   15 o  669.855   11.983  582.013   20.792  561.906   24.708  630.800   38.487  657.953   14.498  696.233   21.341 -38.27960 25.79950 
1 1 1   -6    9   16 f  203.852   20.267   54.577   10.560   73.280   19.288   46.570   12.620  234.400   32.654  187.072   26.809 47.32733 42.24895 
1 1 1   -6    9   17 o  668.451   12.425  579.653   21.513  602.536   27.596  544.200   34.349  681.192   15.640  646.778   20.503 34.41449 25.78663 
1 1 1   -6    9   18 o  757.939   10.983  745.037   21.562  732.638   30.454  757.499   30.532  751.080   15.653  763.747   15.433 -12.66663 21.98217 
1 1 1   -6    9   19 o  888.880   11.434  1024.95   26.327  1010.03   37.223  1039.88   37.242  881.662   16.299  894.633   16.071 -12.97076 22.88950 
1 1 1   -6    9   20 o  680.100   10.538  599.948   18.564  615.837   26.833  585.362   25.710  688.515   15.046  671.298   14.785 17.21716 21.09443 
1 1 1   -6    9   21 o  728.942   10.790  689.375   20.374  691.032   29.142  687.790   28.496  729.162   15.429  727.500   15.122 1.662048 21.60384 
1 1 1   -6    9   22 f  235.048   12.739   71.954   7.7274   75.489   11.340   68.890   10.558  240.065   18.375  229.337   17.916 10.72806 25.66354 
1 1 1   -6    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    9   24 o  559.375   10.483  406.186   15.189  410.177   21.384  402.123   21.578  561.493   14.703  555.905   14.985 5.588013 20.99315 
1 1 1   -6    9   25 o  448.621   12.897  261.702   14.988  259.586   18.703  265.500   25.054  446.295   16.179  450.280   21.481 -3.985321 26.89167 
1 1 1   -6    9   26 o  426.576   13.408  236.862   14.816  271.600   29.195  224.812   17.194  453.347   24.958  415.146   15.989 38.20102 29.64030 
1 1 1   -6    9   27 o  368.925   10.989  176.985   10.501  183.801   14.914  170.284   14.789  375.250   15.344  361.101   15.811 14.14865 22.03217 
1 1 1   -6    9   28 o  442.853   11.171  255.282   12.815  239.166   18.309  270.761   17.943  427.371   16.539  455.106   15.220 -27.73447 22.47643 
1 1 1   -6    9   29 o  215.459   14.306   60.984   7.9390   57.174   11.071   65.017   11.391  206.911   20.944  221.022   20.117 -14.11031 29.04028 
1 1 1   -6    9   30 o  261.367   12.214   89.243   8.2693   93.945   12.227   85.280   11.226  266.309   17.828  253.884   17.172 12.42467 24.75247 
1 1 1   -6    9   31 o  225.013   14.607   66.786   8.4678   65.864   11.989   67.705   11.962  221.263   21.176  224.504   20.806 -3.240402 29.68729 
1 1 1   -6    9   32 o  146.530   20.627   29.210   7.6125   30.852   10.511   27.398   11.040  147.720   28.503  137.859   31.592 9.861603 42.54945 
1 1 1   -6    9   33 o  314.300   12.232  129.589   9.9583  120.855   14.342  137.719   13.838  300.550   18.512  321.868   16.654 -21.31775 24.90131 
1 1 1   -6    9   34 o  296.998   13.365  116.250   10.282  106.400   17.447  121.491   12.726  277.646   24.511  301.931   16.333 -24.28500 29.45377 
1 1 1   -6    9   35 o  218.999   32.880   70.660   18.076   70.660   18.076   0.0000   0.0000  218.999   32.880  ?   ?  0.000000 32.87971 
1 1 1   -6    9   36 o  137.448   27.881   27.694   9.5869   16.040   20.137   31.109   10.902  110.225   44.872  144.588   30.087 -34.36300 54.02530 
1 1 1   -6    9   37 o   91.099   26.414   12.216   6.5960   19.285   9.4356   5.4592   9.2243  112.027   31.305   75.373   30.484 36.65414 43.69496 
1 1 1   -6    9   38 o  180.954   17.422   44.910   8.0653   58.278   11.831   33.305   11.024  202.399   22.973  147.929   29.800 54.47052 37.62710 
1 1 1   -6    9   39 o   54.513   24.242  -1.0275   6.8765   5.2086   9.8156  -7.0382   9.6367   74.918   31.002   55.804   26.208 19.11396 40.59487 
1 1 1   -6    9   40 o   93.406   28.382   13.535   7.4736   7.2266   10.181   20.908   11.006   78.846   31.977  111.854   34.526 -33.00819 47.05956 
1 1 1   -6    9   41 o  135.744   23.733   27.424   8.0410   25.556   11.599   29.153   11.157  121.717   34.951  132.514   32.704 -10.79607 47.86526 
1 1 1   -6    9   42 o  132.605   26.231   27.373   8.6911   23.742   12.225   31.083   12.358  113.646   36.567  132.193   35.388 -18.54692 50.88660 
1 1 1   -6    9   43 o  110.679   30.097   20.842   8.8562   15.920   15.973   23.027   10.642   93.332   39.155  112.683   33.784 -19.35078 51.71578 
1 1 1   -6    9   44 o   52.843   25.586 -10.6410   10.777  -9.4430   21.820 -11.0275   12.394   73.349   35.720   56.620   27.421 16.72856 45.03123 
1 1 1   -6    9   45 o  109.812   29.061   21.088   8.3952   15.040   13.131   25.269   10.918   87.748   36.036  113.988   34.230 -26.23972 49.70226 
1 1 1   -6    9   46 o  118.726   30.647   25.845   9.4895   16.806   13.309   35.193   13.534   88.641   36.327  127.244   38.088 -38.60270 52.63442 
1 1 1   -6    9   47 o   97.924   31.018   18.857   8.8227   33.881   13.171   6.6271   11.883  121.646   37.806   70.586   31.594 51.05950 49.26952 
1 1 1   -6    9   48 o   54.273   25.186  -0.5622   8.4759   1.1918   11.198  -2.9153   12.970   61.211   28.586   59.840   28.746 1.370407 40.54042 
1 1 1   -6   10    1 o  221.689   15.853   64.473   9.0435   67.410   12.826   61.570   12.753  225.347   22.264  215.022   23.269 10.32481 32.20440 
1 1 1   -6   10    2 o  229.772   12.559   68.917   7.4464   67.936   9.0105   71.030   13.224  227.682   15.368  231.362   22.345 -3.679398 27.11951 
1 1 1   -6   10    3 o  234.475   10.523   71.448   6.3911   71.315   9.1467   71.575   8.9339  233.338   15.216  233.832   14.827 -0.4931793 21.24528 
1 1 1   -6   10    4 o  395.246   9.3706  202.860   9.5936  190.663   13.456  215.470   13.682  382.627   13.577  406.854   12.982 -24.22693 18.78468 
1 1 1   -6   10    5 o  718.113   11.646  670.503   21.663  787.700   42.206  628.588   25.241  774.943   21.026  694.695   14.027 80.24731 25.27541 
1 1 1   -6   10    6 o  550.194   11.299  393.399   16.104  437.300   29.697  375.112   19.166  578.039   19.834  536.809   13.784 41.22974 24.15282 
1 1 1   -6   10    7 o  313.828   15.386  128.282   12.507  131.700   18.164  125.200   17.248  316.240   22.317  308.433   21.727 7.806335 31.14712 
1 1 1   -6   10    8 o  326.831   15.140  139.017   12.817  153.900   18.726  125.900   17.580  342.449   21.215  309.431   22.078 33.01886 30.61924 
1 1 1   -6   10    9 o  223.937   12.450   65.336   7.1932   99.210   16.136   56.935   8.0359  274.507   22.902  208.703   14.964 65.80429 27.35752 
1 1 1   -6   10   10 o  201.995   11.292   53.116   5.8848   58.139   8.5831   48.660   8.0840  210.867   15.830  192.742   16.346 18.12549 22.75442 
1 1 1   -6   10   11 o  458.902   9.5452  273.084   11.346  267.681   16.299  278.163   15.805  454.031   13.859  462.892   13.181 -8.861694 19.12617 
1 1 1   -6   10   12 o  558.418   13.053  404.696   18.881  419.500   27.084  390.700   26.335  567.966   18.410  548.106   18.549 19.85986 26.13377 
1 1 1   -6   10   13 o  514.880   11.112  343.819   14.820  356.821   18.907  323.100   23.867  524.320   13.921  498.521   18.483 25.79901 23.13923 
1 1 1   -6   10   14 o  350.578   10.251  159.359   9.3094  163.011   13.467  156.017   12.884  354.364   14.671  346.696   14.346 7.667786 20.51960 
1 1 1   -6   10   15 f  695.231   21.654  629.100   38.997  629.100   38.997   0.0000   0.0000  695.231   21.654  ?   ?  0.000000 21.65440 
1 1 1   -6   10   16 o  661.563   12.362  567.772   21.184  583.700   27.048  542.500   34.070  670.457   15.575  645.768   20.368 24.68915 25.64019 
1 1 1   -6   10   17 o  882.686   11.580  1010.62   26.477  1002.81   37.436  1018.45   37.453  878.591   16.450  885.434   16.330 -6.842834 23.17853 
1 1 1   -6   10   18 o  228.912   19.223   68.647   11.292   68.647   11.292   0.0000   0.0000  228.912   19.223  ?   ?  0.000000 19.22251 
1 1 1   -6   10   19 o  224.060   13.768   65.429   7.9523   71.300   11.581   60.190   10.939  233.261   19.341  214.096   19.955 19.16473 27.78995 
1 1 1   -6   10   20 o  467.142   10.383  283.075   12.564  274.773   17.674  291.556   17.864  459.864   14.838  473.728   14.558 -13.86450 20.78656 
1 1 1   -6   10   21 o  300.501   17.120  117.883   13.271   0.0000   0.0000  117.883   13.271  ?   ?   300.501   17.120 0.000000 17.11992 
1 1 1   -6   10   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   10   23 o  236.019   13.426   72.641   8.1742   75.327   11.996   70.314   11.168  239.469   19.509  231.429   18.792 8.039719 27.08801 
1 1 1   -6   10   24 o  305.470   16.368  121.938   12.904  110.700   17.762  134.500   18.779  289.517   23.898  319.562   22.837 -30.04462 33.05502 
1 1 1   -6   10   25 o  326.944   19.793  140.373   16.683  122.000   25.012  155.100   22.393  301.103   32.589  342.238   25.441 -41.13507 41.34349 
1 1 1   -6   10   26 f  215.061   15.762   60.681   8.7193   52.136   12.479   68.831   12.188  197.257   24.983  228.081   20.861 -30.82385 32.54741 
1 1 1   -6   10   27 o  331.677   11.520  143.182   9.8972  138.551   13.983  147.833   14.011  324.984   16.666  336.236   16.087 -11.25183 23.16365 
1 1 1   -6   10   28 o  221.624   15.634   64.624   8.9175   59.879   12.757   69.158   12.470  211.126   23.739  227.800   21.384 -16.67442 31.94988 
1 1 1   -6   10   29 o  286.100   12.543  106.917   9.2957  104.294   12.686  109.958   13.660  280.925   17.521  288.189   18.395 -7.264374 25.40388 
1 1 1   -6   10   30 o  224.999   20.474   67.820   11.802   0.0000   0.0000   67.820   11.802  ?   ?   224.999   20.474 0.000000 20.47411 
1 1 1   -6   10   31 o   49.851   22.616  -3.2750   6.3268  -8.2590   9.4102   0.8363   8.5468   55.850   26.123   66.430   28.290 -10.58027 38.50650 
1 1 1   -6   10   32 o   45.325   21.446  -7.2865   6.6722  -9.9670   9.4529  -4.6252   9.4189   53.886   25.505   60.390   27.473 -6.503815 37.48737 
1 1 1   -6   10   33 o  302.422   12.493  120.165   9.7865  129.504   14.237  111.800   13.475  311.255   17.732  288.944   18.095 22.31119 25.33472 
1 1 1   -6   10   34 f  171.972   20.287   40.445   8.8632   49.740   11.737   28.110   13.520  188.744   24.591  135.167   37.367 53.57648 44.73230 
1 1 1   -6   10   35 o  139.008   27.532   28.076   9.5629   45.100   21.030   23.638   10.737  162.072   47.213  124.814   32.787 37.25797 57.48075 
1 1 1   -6   10   36 o   74.716   28.538   6.4927   7.6908   2.5160   20.656   7.1327   8.2865   93.482   41.762   77.562   29.624 15.91969 51.20201 
1 1 1   -6   10   37 f  153.130   25.992   34.266   9.9414   40.960   19.855   32.026   11.485  149.639   46.404  144.117   31.633 5.522781 56.16021 
1 1 1   -6   10   38 o   74.314   27.508   7.1874   7.0231   1.4451   10.214   12.337   9.6725   69.405   30.247   91.122   32.487 -21.71759 44.38798 
1 1 1   -6   10   39 o  146.169   21.221   30.538   7.8001   26.338   11.739   33.858   10.437  125.953   34.818  149.159   28.044 -23.20640 44.70700 
1 1 1   -6   10   40 o  146.712   23.052   31.551   8.4716   16.590   12.049   46.175   11.913   99.777   36.174  174.198   27.299 -74.42097 45.31861 
1 1 1   -6   10   41 o   93.852   30.158   14.330   8.3173   28.575   12.026   1.2698   11.515  127.766   35.209   69.968   31.225 57.79790 47.06058 
1 1 1   -6   10   42 o  173.953   19.633   43.727   8.6915   44.527   13.180   43.111   11.562  162.079   32.524  164.336   28.175 -2.257416 43.03027 
1 1 1   -6   10   43 o   66.265   31.566  -6.3020   14.945  -6.3020   14.945   0.0000   0.0000   66.265   31.566  ?   ?  0.000000 31.56584 
1 1 1   -6   10   44 o  159.552   23.050   39.367   9.2499   40.883   12.746   37.680   13.444  149.329   33.747  138.247   36.867 11.08232 49.98026 
1 1 1   -6   10   45 o   72.001   29.265   7.8650   8.5485   5.5682   11.824   10.380   12.373   71.501   31.794   79.083   33.867 -7.581085 46.45238 
1 1 1   -6   10   46 o  124.368   29.003   27.626   9.1715   27.914   13.062   27.345   12.881  109.980   37.861  109.227   37.599 0.7533264 53.35928 
1 1 1   -6   10   47 o   69.840   29.096   8.0856   8.7294   13.671   12.576   2.8924   12.127   79.987   34.196   65.375   30.263 14.61223 45.66405 
1 1 1   -6   11    1 o  251.812   10.253   82.362   6.6876   83.918   9.4733   80.816   9.4422  253.408   14.492  248.629   14.727 4.779205 20.66179 
1 1 1   -6   11    2 o  435.320   9.3207  246.007   10.510  241.624   14.769  250.504   14.959  430.917   13.232  438.774   13.162 -7.857666 18.66343 
1 1 1   -6   11    3 o  473.905   9.4405  291.545   11.589  282.086   16.333  301.135   16.445  465.586   13.543  481.107   13.196 -15.52121 18.90912 
1 1 1   -6   11    4 o  722.315   10.278  677.494   19.231  689.319   27.530  666.225   26.875  727.627   14.607  715.361   14.503 12.26599 20.58408 
1 1 1   -6   11    5 o  522.153   11.289  354.141   15.269  358.200   27.141  352.261   18.469  523.515   20.014  520.409   13.701 3.105286 24.25479 
1 1 1   -6   11    6 o  180.324   13.683   42.521   6.3437   85.000   14.449   32.379   7.0606  253.927   22.191  156.615   17.716 97.31163 28.39500 
1 1 1   -6   11    7 o  566.028   11.539  416.007   16.918  433.200   30.178  408.126   20.431  576.091   20.223  560.293   14.078 15.79791 24.64036 
1 1 1   -6   11    8 o  318.719   15.893  132.118   13.121  125.200   18.792  138.700   18.329  308.591   23.690  325.234   21.884 -16.64279 32.25106 
1 1 1   -6   11    9 o  297.959   16.542  115.799   12.717  120.700   19.245  112.000   16.944  302.928   24.742  292.120   22.567 10.80859 33.48767 
1 1 1   -6   11   10 o  421.935   11.478  230.973   12.544  300.600   25.886  209.606   14.340  480.400   20.803  401.791   13.779 78.60916 24.95201 
1 1 1   -6   11   11 o  230.653   13.100   69.266   7.7943   73.970   10.650   63.840   11.438  237.924   17.401  220.562   20.246 17.36143 26.69650 
1 1 1   -6   11   12 o  309.213   11.348  124.013   9.0894  131.158   11.692  113.100   14.450  317.866   14.201  294.299   19.058 23.56723 23.76646 
1 1 1   -6   11   13 o  610.982   14.200  484.538   22.473   0.0000   0.0000  484.538   22.473  ?   ?   610.982   14.200 0.000000 14.19971 
1 1 1   -6   11   14 o  839.724   23.526  918.700   51.171  918.700   51.171   0.0000   0.0000  839.724   23.526  ?   ?  0.000000 23.52554 
1 1 1   -6   11   15 o  642.303   20.602  536.800   34.276   0.0000   0.0000  536.800   34.276  ?   ?   642.303   20.602 0.000000 20.60175 
1 1 1   -6   11   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   11   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   11   18 o  388.897   10.532  196.170   10.609  193.420   15.920  198.367   14.229  385.793   15.931  390.842   14.055 -5.048553 21.24469 
1 1 1   -6   11   19 o  586.335   10.465  445.971   15.894  447.710   22.771  444.320   22.194  586.986   14.976  584.800   14.651 2.185791 20.95124 
1 1 1   -6   11   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   11   21 o  898.918   11.704  1049.10   27.252  1087.00   39.408  1014.37   37.726  913.875   16.648  882.855   16.497 31.02026 23.43687 
1 1 1   -6   11   22 o  771.820   11.052  773.404   22.095  770.811   31.085  776.051   31.411  769.601   15.593  772.186   15.704 -2.585083 22.13047 
1 1 1   -6   11   23 o  225.977   15.711   66.818   9.1390   74.820   15.571   62.613   11.288  237.269   25.748  217.969   20.223 19.29994 32.74033 
1 1 1   -6   11   24 o  217.588   17.690   62.207   9.8840   67.517   12.715   54.100   15.712  225.895   22.010  199.645   31.420 26.25018 38.36209 
1 1 1   -6   11   25 o  537.046   16.673  376.628   23.194  352.400   34.184  397.300   31.575  516.644   25.543  549.862   22.169 -33.21771 33.82180 
1 1 1   -6   11   26 o  135.727   23.100   24.943   7.8305   31.899   11.201   18.295   10.951  152.243   29.469  115.447   34.194 36.79566 45.14048 
1 1 1   -6   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   11   28 o  308.566   16.743  125.425   13.332   0.0000   0.0000  125.425   13.332  ?   ?   308.566   16.743 0.000000 16.74307 
1 1 1   -6   11   29 o  247.779   13.721   80.654   8.7724   78.967   12.068   82.544   12.774  243.498   19.292  248.731   19.995 -5.232910 27.78434 
1 1 1   -6   11   30 o  307.102   12.035  123.382   9.5735  126.825   13.121  119.462   13.999  309.617   16.419  299.785   18.113 9.832062 24.44740 
1 1 1   -6   11   31 o  427.918   15.901  241.866   17.625   0.0000   0.0000  241.866   17.625  ?   ?   427.918   15.901 0.000000 15.90083 
1 1 1   -6   11   32 o  165.116   18.499   36.784   7.7760   36.751   11.050   36.817   10.945  161.368   27.416  161.667   27.095 -0.2987671 38.54590 
1 1 1   -6   11   33 o  179.430   16.606   43.184   7.6307   32.376   10.495   55.305   11.115  150.389   27.971  200.948   21.697 -50.55870 35.39966 
1 1 1   -6   11   34 o   90.648   32.410   11.049   9.6336   11.049   9.6336   0.0000   0.0000   90.648   32.410  ?   ?  0.000000 32.41040 
1 1 1   -6   11   35 o  228.459   14.813   69.839   8.7187   74.530   12.847   65.834   11.871  231.941   21.633  218.123   21.281 13.81815 30.34604 
1 1 1   -6   11   36 o   60.174   25.769   1.0398   7.1629  -3.7225   9.8357   6.4178   10.452   61.338   27.970   79.859   32.396 -18.52111 42.80014 
1 1 1   -6   11   37 o  103.568   29.185   16.453   8.1651   21.560   18.436   15.206   9.1069  113.451   43.963   99.188   31.524 14.26280 54.09668 
1 1 1   -6   11   38 o  154.673   24.237   34.934   9.3915   49.390   21.247   31.423   10.470  159.042   47.749  142.968   29.257 16.07376 55.99984 
1 1 1   -6   11   39 o   55.759   24.704  -0.5424   7.0768   1.9870   9.4260  -3.8098   10.713   67.367   29.209   62.443   28.740 4.923710 40.97777 
1 1 1   -6   11   40 o  122.815   24.433   22.733   7.4992   13.117   9.7082   36.959   11.809   90.664   32.523  151.317   31.165 -60.65276 45.04451 
1 1 1   -6   11   41 f   65.626   26.834   4.4985   7.2411   7.5687   10.275   1.4689   10.207   77.427   31.846   66.809   29.631 10.61781 43.49914 
1 1 1   -6   11   42 o   96.558   30.211   15.956   8.3945   8.9603   12.076   22.497   11.677   80.457   33.915  109.077   35.784 -28.62015 49.30246 
1 1 1   -6   11   43 o  101.841   44.790   26.750   22.853   26.750   22.853   0.0000   0.0000  101.841   44.790  ?   ?  0.000000 44.78974 
1 1 1   -6   11   44 o  119.139   28.251   24.321   8.5863   21.666   13.451   26.147   11.155   99.575   37.811  115.368   34.589 -15.79335 51.24485 
1 1 1   -6   11   45 o   66.781   28.973   5.0567   9.2860   8.8183   13.146   1.3110   13.119   76.306   33.746   67.288   31.262 9.017822 46.00088 
1 1 1   -6   11   46 o  117.412   29.620   25.484   9.0079   25.311   13.682   25.617   11.968  100.903   38.177  106.253   36.252 -5.350029 52.64679 
1 1 1   -6   11   47 o   60.951   27.370   3.3638   8.9940   11.078   12.624  -4.5865   12.817   74.802   33.076   58.404   28.187 16.39772 43.45700 
1 1 1   -6   12    1 o  343.528   9.8292  153.155   8.7464  149.501   12.366  156.813   12.373  339.042   14.080  347.267   13.755 -8.224945 19.68386 
1 1 1   -6   12    2 o  380.424   9.7485  187.809   9.6063  189.505   13.857  186.240   13.329  381.736   14.014  378.478   13.596 3.257965 19.52523 
1 1 1   -6   12    3 o  470.037   9.6631  286.682   11.765  299.743   17.010  274.704   16.290  480.173   13.676  459.679   13.681 20.49402 19.34440 
1 1 1   -6   12    4 o  373.860   9.9166  181.367   9.6033  174.348   13.599  188.350   13.563  366.178   14.337  380.658   13.756 -14.47980 19.86896 
1 1 1   -6   12    5 o  287.166   10.895  107.029   8.1043  104.554   11.812  109.230   11.140  283.012   16.180  289.459   14.908 -6.446411 22.00090 
1 1 1   -6   12    6 o  814.441   12.664  861.346   26.717  865.400   46.973  859.407   32.483  814.129   22.274  813.010   15.425 1.119019 27.09349 
1 1 1   -6   12    7 o  231.556   11.669   69.760   6.9768   93.580   16.806   64.801   7.6688  266.494   24.625  222.990   13.338 43.50479 28.00509 
1 1 1   -6   12    8 o  295.420   10.902  113.214   8.3426  127.600   19.677  110.061   9.2115  311.662   24.573  291.218   12.211 20.44412 27.44020 
1 1 1   -6   12    9 o  526.521   20.288  360.900   27.669   0.0000   0.0000  360.900   27.669  ?   ?   526.521   20.288 0.000000 20.28767 
1 1 1   -6   12   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   12   11 f  688.254   10.610  614.287   18.916  553.600   37.596  634.857   21.888  651.962   22.262  699.551   12.079 -47.58911 25.32808 
1 1 1   -6   12   12 f  814.390   12.853  860.555   27.114  866.800   49.747  857.916   32.339  815.587   23.547  812.823   15.360 2.764221 28.11412 
1 1 1   -6   12   13 o  1135.87   27.547  1685.00   81.051  1685.00   81.051   0.0000   0.0000  1135.87   27.547  ?   ?  0.000000 27.54731 
1 1 1   -6   12   14 o  1360.64   17.079  2405.64   60.193  2439.27   75.272  2346.00  100.250  1368.90   21.228  1339.60   28.891 29.30090 35.85108 
1 1 1   -6   12   15 o  802.409   11.141  835.115   23.157  834.779   32.896  835.445   32.604  801.651   15.842  801.992   15.695 -0.3414917 22.29991 
1 1 1   -6   12   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   12   17 o  819.599   15.866  872.990   33.684  872.990   33.684   0.0000   0.0000  819.599   15.866  ?   ?  0.000000 15.86610 
1 1 1   -6   12   18 o  1256.77   13.926  2051.54   45.335  2032.43   63.882  2070.93   64.348  1249.10   19.744  1260.90   19.702 -11.79211 27.89222 
1 1 1   -6   12   19 o  454.355   10.584  267.854   12.456  281.017   18.265  256.409   17.031  464.942   15.166  444.158   14.803 20.78470 21.19272 
1 1 1   -6   12   20 o  727.249   10.870  686.438   20.477  690.532   29.326  682.542   28.605  728.615   15.538  724.446   15.244 4.169373 21.76697 
1 1 1   -6   12   21 o  333.119   11.930  144.126   10.294  156.019   14.809  133.006   14.319  346.145   16.517  319.041   17.393 27.10443 23.98551 
1 1 1   -6   12   22 o  457.237   10.913  271.486   12.925  253.813   18.612  287.948   17.962  441.392   16.278  470.384   14.742 -28.99240 21.96151 
1 1 1   -6   12   23 o  238.785   18.465   74.911   11.332   88.350   16.180   61.970   15.878  258.142   24.490  214.586   29.333 43.55571 38.21255 
1 1 1   -6   12   24 o  422.076   18.117  232.913   19.807  230.400   29.803  234.900   26.508  416.295   27.798  421.608   24.376 -5.312836 36.97231 
1 1 1   -6   12   25 o  493.716   11.169  317.029   14.283  322.596   20.873  312.127   19.587  496.879   16.218  488.946   15.465 7.933685 22.40952 
1 1 1   -6   12   26 o  213.830   15.860   60.136   8.7219   42.208   12.420   77.578   12.251  175.736   28.241  242.094   19.707 -66.35788 34.43688 
1 1 1   -6   12   27 o  435.567   15.278  248.492   17.238   0.0000   0.0000  248.492   17.238  ?   ?   435.567   15.278 0.000000 15.27818 
1 1 1   -6   12   28 o  260.445   13.472   89.000   9.0572   72.253   13.305  103.464   12.364  231.869   22.433  279.782   17.144 -47.91316 28.23345 
1 1 1   -6   12   29 o  249.984   17.309   82.933   11.139   0.0000   0.0000   82.933   11.139  ?   ?   249.984   17.309 0.000000 17.30938 
1 1 1   -6   12   30 o  208.502   14.397   57.453   7.7277   62.777   10.520   51.213   11.389  216.453   18.954  193.726   23.155 22.72740 29.92311 
1 1 1   -6   12   31 f  159.525   19.232   34.437   7.7867   23.849   10.839   45.731   11.194  127.651   32.649  181.998   24.356 -54.34673 40.73268 
1 1 1   -6   12   32 o   53.909   23.966  -1.7885   6.7151 -13.5885   9.1469   12.005   9.8896   48.816   23.621   94.309   32.918 -45.49313 40.51557 
1 1 1   -6   12   33 o  207.343   16.011   57.557   8.5326   49.820   11.474   67.130   12.762  189.041   23.970  220.567   22.660 -31.52600 32.98560 
1 1 1   -6   12   34 f  239.447   26.035   81.302   15.888  100.300   24.807   68.090   20.688  253.642   39.007  207.455   39.947 46.18750 55.83336 
1 1 1   -6   12   35 o  169.082   18.849   39.336   8.1147   53.205   11.389   25.033   11.565  194.255   23.085  126.181   34.427 68.07451 41.45087 
1 1 1   -6   12   36 o  251.162   12.887   84.133   8.3558  106.056   13.022   68.790   10.894  278.205   18.170  223.251   19.020 54.95454 26.30439 
1 1 1   -6   12   37 o  151.493   19.536   32.197   7.4876   36.724   10.369   27.265   10.823  157.317   26.380  131.041   32.132 26.27551 41.57412 
1 1 1   -6   12   38 o  102.407   32.128   16.883   9.4863   16.200   19.358   17.100   10.883  102.774   43.110  102.227   34.570 0.5465088 55.25942 
1 1 1   -6   12   39 o  186.177   21.849   50.075   10.336   63.060   18.546   44.224   12.449  189.767   39.032  167.899   29.712 21.86836 49.05397 
1 1 1   -6   12   40 o   72.833   29.801   6.0820   8.9388   67.290   21.530  -6.6665   9.8257  183.074   45.578   55.532   26.198 127.5419 52.57053 
1 1 1   -6   12   41 o   96.703   29.313   15.610   7.9793   7.2737   12.469   21.392   10.384   78.859   33.891  109.548   33.491 -30.68902 47.64659 
1 1 1   -6   12   42 o   68.415   29.546   4.3328   9.5680   12.280   14.858  -1.2975   12.506   86.297   37.039   66.269   30.696 20.02740 48.10543 
1 1 1   -6   12   43 o   88.643   32.756   14.606   9.9502   45.090   20.485   5.1928   11.383  127.755   47.036   71.389   31.495 56.36506 56.60693 
1 1 1   -6   12   44 o   97.092   30.711   17.572   8.6516   13.871   11.551   22.301   13.057   84.671   34.159  100.002   37.410 -15.33129 50.65867 
1 1 1   -6   12   45 o   61.761   27.214   3.2733   8.4728  -6.9480   11.442   15.683   12.607   55.689   26.815   85.610   35.252 -29.92089 44.29184 
1 1 1   -6   12   46 f  159.105   22.652   40.952   9.0721   37.787   12.613   44.345   13.059  131.969   35.930  146.183   34.958 -14.21439 50.13063 
1 1 1   -6   12   47 o   76.911   29.946   12.237   8.5857   11.251   11.261   13.608   13.269   73.627   31.924   76.566   33.880 -2.939415 46.55106 
1 1 1   -6   13    1 o  467.652   9.7535  283.679   11.815  275.263   16.729  292.054   16.689  460.289   14.031  474.166   13.588 -13.87738 19.53203 
1 1 1   -6   13    2 o  193.671   13.590   48.959   6.7743   42.420   9.9049   54.705   9.2856  179.011   21.812  204.255   17.726 -25.24490 28.10648 
1 1 1   -6   13    3 o  524.280   9.8976  356.534   13.441  348.756   19.032  364.274   18.986  518.119   14.181  529.560   13.841 -11.44061 19.81592 
1 1 1   -6   13    4 o  852.523   11.167  943.041   24.660  942.183   34.888  943.897   34.861  851.349   15.820  852.128   15.794 -0.7791748 22.35456 
1 1 1   -6   13    5 o  270.053   11.847   94.639   8.2871   96.669   11.907   92.732   11.542  272.131   16.976  266.532   16.803 5.599030 23.88564 
1 1 1   -6   13    6 o  224.833   13.360   65.855   7.7455   59.218   11.108   72.135   10.806  212.274   20.456  234.827   17.899 -22.55284 27.18116 
1 1 1   -6   13    7 o  577.084   14.551  432.468   21.752   0.0000   0.0000  432.468   21.752  ?   ?   577.084   14.551 0.000000 14.55134 
1 1 1   -6   13    8 o  371.555   13.496  179.193   12.989   0.0000   0.0000  179.193   12.989  ?   ?   371.555   13.496 0.000000 13.49604 
1 1 1   -6   13    9 o  424.136   11.599  233.353   12.743  361.800   27.499  198.229   14.380  527.286   20.133  390.761   14.207 136.5251 24.64087 
1 1 1   -6   13   10 o  235.068   22.423   72.620   13.488   87.100   19.807   60.100   18.417  256.234   30.438  211.285   34.868 44.94934 46.28432 
1 1 1   -6   13   11 o  464.539   16.093  280.307   19.364  255.200   28.008  303.300   26.803  441.718   24.576  482.670   21.438 -40.95233 32.61208 
1 1 1   -6   13   12 o  528.810   17.573  363.446   24.071  302.000   34.281  423.200   33.806  480.020   27.688  569.932   22.899 -89.91217 35.93058 
1 1 1   -6   13   13 o  594.476   15.858  459.051   24.420  502.000   41.558  436.400   30.180  620.159   25.870  579.108   20.119 41.05139 32.77268 
1 1 1   -6   13   14 o  604.883   10.576  474.524   16.571  473.438   23.711  475.560   23.169  603.755   15.161  605.149   14.781 -1.393982 21.17410 
1 1 1   -6   13   15 o  537.821   14.954  375.719   20.833  375.719   20.833   0.0000   0.0000  537.821   14.954  ?   ?  0.000000 14.95420 
1 1 1   -6   13   16 o  596.718   10.520  461.885   16.261  454.308   23.245  469.146   22.755  591.307   15.177  600.956   14.618 -9.648560 21.07150 
1 1 1   -6   13   17 o  719.929   10.794  672.462   20.129  676.300   28.829  668.812   28.118  721.315   15.429  717.360   15.132 3.955078 21.61123 
1 1 1   -6   13   18 o  575.069   10.739  429.130   15.997  412.839   22.639  445.378   22.609  563.465   15.511  585.338   14.912 -21.87244 21.51610 
1 1 1   -6   13   19 o  396.733   11.156  204.314   11.465  206.218   16.959  202.710   15.559  398.052   16.448  394.791   15.215 3.260895 22.40561 
1 1 1   -6   13   20 o  349.975   11.622  159.063   10.535  154.202   15.438  163.299   14.413  343.578   17.404  354.210   15.709 -10.63159 23.44481 
1 1 1   -6   13   21 o  538.503   15.054  377.474   20.998   0.0000   0.0000  377.474   20.998  ?   ?   538.503   15.054 0.000000 15.05388 
1 1 1   -6   13   22 o  832.974   15.782  904.243   34.052  893.100   47.623  915.900   48.710  825.291   22.277  835.654   22.503 -10.36346 31.66472 
1 1 1   -6   13   23 o  414.690   13.553  223.894   14.558  231.866   17.488  205.900   26.274  421.572   16.015  394.164   25.878 27.40762 30.43253 
1 1 1   -6   13   24 o  444.452   13.569  257.399   15.621  260.100   31.364  256.508   18.014  441.832   27.542  443.229   15.691 -1.396881 31.69786 
1 1 1   -6   13   25 o  226.231   15.276   67.185   8.8992   77.972   13.413   58.703   11.894  242.260   21.601  209.778   22.228 32.48192 30.99463 
1 1 1   -6   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   13   27 o  380.251   11.211  188.575   11.042  207.635   15.941  170.992   15.311  397.758   15.472  360.668   16.389 37.08972 22.53790 
1 1 1   -6   13   28 o  207.365   15.306   56.834   8.1632   60.825   11.717   53.070   11.379  212.516   21.585  198.009   22.591 14.50783 31.24464 
1 1 1   -6   13   29 o  274.877   13.186   99.130   9.3884   93.359   13.719  104.213   12.875  263.775   20.233  279.818   17.857 -16.04385 26.98631 
1 1 1   -6   13   30 o  103.457   24.843   15.120   6.5738   17.407   9.5822   13.086   9.0354  109.828   31.834   97.036   31.459 12.79253 44.75553 
1 1 1   -6   13   31 o  337.511   12.071  149.551   10.553  131.124   15.273  166.385   14.598  312.446   18.961  354.245   15.909 -41.79825 24.75105 
1 1 1   -6   13   32 o  448.383   12.133  264.457   14.091  265.500   22.660  263.799   17.994  443.698   19.716  445.597   15.590 -1.899384 25.13465 
1 1 1   -6   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   13   34 o  169.783   21.340   40.197   9.1779   28.750   21.204   42.836   10.181  129.154   47.799  174.300   23.120 -45.14603 53.09708 
1 1 1   -6   13   35 o   77.285   27.328   8.1160   6.8310   15.356   9.3256  -0.2654   10.034  100.116   31.908   66.772   29.508 33.34354 43.46120 
1 1 1   -6   13   36 f  129.684   22.191   24.175   7.1865   21.408   9.2209   28.456   11.470  117.258   30.181  133.323   33.308 -16.06532 44.94810 
1 1 1   -6   13   37 o  126.448   24.383   23.657   7.6970   29.116   11.025   18.468   10.750  134.877   32.033  106.086   34.307 28.79121 46.93691 
1 1 1   -6   13   38 o  136.992   23.608   27.707   8.0748   32.884   11.666   22.945   11.188  142.185   32.397  116.391   34.583 25.79468 47.38718 
1 1 1   -6   13   39 o   55.471   25.959  -5.4806   9.3118   1.1850   21.159  -7.0818   10.370   85.309   39.657   56.911   26.869 28.39724 47.90216 
1 1 1   -6   13   40 o   95.646   31.301   15.478   8.9363   18.270   19.941   14.776   9.9962   99.144   42.736   93.042   33.041 6.101990 54.01914 
1 1 1   -6   13   41 o  108.783   33.098   21.423   10.159   12.760   17.135   26.119   12.616   88.773   38.919  115.500   37.145 -26.72725 53.79955 
1 1 1   -6   13   42 o   59.395   28.689  -9.8080   13.342  -9.8080   13.342   0.0000   0.0000   59.395   28.689  ?   ?  0.000000 28.68852 
1 1 1   -6   13   43 o   81.798   32.940   12.102   10.721 -16.7400   21.939   21.150   12.288   67.602   33.482   99.523   36.462 -31.92065 49.50227 
1 1 1   -6   13   44 o   64.062   28.219   3.8130   9.1040   3.3838   12.858   4.2445   12.892   68.794   31.598   69.821   31.910 -1.027092 44.90718 
1 1 1   -6   13   45 o   84.896   30.140   14.046   8.3171   25.337   12.973   6.1678   10.837  101.985   37.449   68.691   30.495 33.29411 48.29522 
1 1 1   -6   13   46 o  119.591   29.303   27.220   9.0062   27.017   12.154   27.466   13.413  104.583   36.492  101.307   37.912 3.276093 52.62138 
1 1 1   -6   14    1 o  462.301   9.9882  277.164   11.961  260.847   16.836  293.790   16.995  448.163   14.503  475.684   13.793 -27.52094 20.01466 
1 1 1   -6   14    2 o  645.891   10.280  541.047   17.199  540.080   24.482  541.988   24.166  644.857   14.657  646.021   14.441 -1.164124 20.57600 
1 1 1   -6   14    3 o  232.459   13.180   70.366   7.9038   72.132   11.364   68.711   11.000  234.715   18.850  229.066   18.703 5.648544 26.55399 
1 1 1   -6   14    4 o  598.076   11.778  464.079   18.247  430.300   30.200  483.501   22.900  574.914   20.279  610.190   14.488 -35.27563 24.92309 
1 1 1   -6   14    5 o  268.466   16.204   93.987   11.215   89.220   15.924   98.680   15.799  260.481   23.866  274.279   22.434 -13.79788 32.75443 
1 1 1   -6   14    6 o  446.662   12.011  258.842   13.897  263.422   17.449  250.900   22.979  450.380   14.957  439.058   20.205 11.32254 25.13885 
1 1 1   -6   14    7 o  412.956   10.908  221.176   11.668  213.658   16.732  228.294   16.280  405.554   15.927  419.286   14.990 -13.73193 21.87178 
1 1 1   -6   14    8 o  779.371   11.042  787.820   22.292  682.900   42.454  827.760   26.194  723.974   22.638  798.704   12.661 -74.73035 25.93831 
1 1 1   -6   14    9 o  950.567   12.000  1172.23   29.546  1201.00   61.680  1163.66   33.659  959.542   24.816  946.843   13.724 12.69885 28.35782 
1 1 1   -6   14   10 o  846.449   13.816  930.004   30.292  943.900   55.281  924.041   36.212  850.586   25.090  843.320   16.577 7.266235 30.07222 
1 1 1   -6   14   11 f  823.029   25.577  884.100   54.528  884.100   54.528   0.0000   0.0000  823.029   25.577  ?   ?  0.000000 25.57710 
1 1 1   -6   14   12 o  455.872   27.856  272.700   32.735  272.700   32.735   0.0000   0.0000  455.872   27.856  ?   ?  0.000000 27.85566 
1 1 1   -6   14   13 o  304.465   14.914  120.404   11.762  147.000   26.150  113.659   13.169  333.533   30.610  295.167   17.300 38.36600 35.16014 
1 1 1   -6   14   14 o  480.455   11.020  299.467   13.715  305.900   29.972  297.764   15.424  484.096   23.902  478.977   12.432 5.118378 26.94216 
1 1 1   -6   14   15 f  470.205   12.709  287.029   15.479  301.800   31.278  282.238   17.814  479.832   25.254  466.072   14.755 13.75934 29.24882 
1 1 1   -6   14   16 o  254.086   19.632   84.618   12.821   84.618   12.821   0.0000   0.0000  254.086   19.632  ?   ?  0.000000 19.63218 
1 1 1   -6   14   17 o  513.812   10.660  342.589   14.188  335.147   20.367  349.606   19.775  507.651   15.488  518.589   14.721 -10.93787 21.36830 
1 1 1   -6   14   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   14   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   14   20 o  264.771   13.396   91.396   9.1578   85.330   13.314   96.843   12.616  254.691   20.352  271.861   18.017 -17.16974 27.18129 
1 1 1   -6   14   21 o  362.526   14.780  171.160   13.879  197.700   19.895  146.000   19.371  388.267   19.848  332.858   22.601 55.40982 30.07950 
1 1 1   -6   14   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   14   23 o  314.283   21.163  130.383   17.128  118.000   26.061  139.800   22.726  294.173   34.880  323.483   27.379 -29.30988 44.34190 
1 1 1   -6   14   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   14   25 o  539.086   11.036  378.497   15.411  380.422   22.576  376.819   21.088  538.733   16.178  536.560   15.173 2.172974 22.17958 
1 1 1   -6   14   26 o  373.838   16.239  183.614   15.725   0.0000   0.0000  183.614   15.725  ?   ?   373.838   16.239 0.000000 16.23887 
1 1 1   -6   14   27 o  445.744   11.118  259.368   12.837  262.047   18.561  256.912   17.772  446.140   16.061  441.984   15.523 4.156830 22.33679 
1 1 1   -6   14   28 o  132.554   21.911   24.113   7.2604   14.218   10.283   33.951   10.253  101.695   33.590  156.166   26.279 -54.47060 42.64879 
1 1 1   -6   14   29 o  230.946   14.581   70.557   8.6776   68.871   12.592   72.081   11.975  225.258   21.857  231.250   20.194 -5.992172 29.75722 
1 1 1   -6   14   30 o  334.775   11.893  147.048   10.314  126.953   14.309  168.778   14.879  308.025   18.012  356.748   16.102 -48.72302 24.15965 
1 1 1   -6   14   31 o  188.480   23.200   49.173   11.088   0.0000   0.0000   49.173   11.088  ?   ?   188.480   23.200 0.000000 23.20046 
1 1 1   -6   14   32 o  188.811   17.991   48.315   8.6927   49.060   11.290   47.230   13.622  187.267   23.814  179.739   30.339 7.527756 38.56896 
1 1 1   -6   14   33 o  218.564   28.487   69.400   15.745   46.300   24.153   86.470   20.762  157.933   51.447  238.477   34.623 -80.54390 62.01271 
1 1 1   -6   14   34 o   81.675   28.028   9.3755   7.1549   7.3004   9.7431   11.804   10.541   80.227   31.701   91.579   33.737 -11.35197 46.29423 
1 1 1   -6   14   35 o  128.220   24.280   24.034   7.7690   36.206   10.922   11.570   11.053  155.241   28.201   90.537   34.300 64.70419 44.40460 
1 1 1   -6   14   36 o   54.885   24.028  -0.0386   6.5109 -10.2659   9.5345   8.8983   8.9126   51.852   24.839   81.111   30.784 -29.25871 39.55511 
1 1 1   -6   14   37 o  172.188   18.268   41.457   8.0232   43.999   12.127   39.479   10.699  168.945   28.742  161.848   26.434 7.097061 39.04905 
1 1 1   -6   14   38 o   47.551   22.201  -4.5861   6.7471  -7.3023   8.9489  -1.0082   10.271   52.286   24.768   64.184   28.995 -11.89820 38.13345 
1 1 1   -6   14   39 o  117.151   25.643   21.341   7.5657   22.212   10.372   20.350   11.060  113.096   33.217  106.882   34.815 6.214081 48.11917 
1 1 1   -6   14   40 o  134.686   26.668   28.882   8.9746   31.537   13.256   26.636   12.194  128.090   37.534  118.621   36.297 9.468651 52.21382 
1 1 1   -6   14   41 o  116.644   37.268   27.503   12.716   0.0000   0.0000   27.503   12.716  ?   ?   116.644   37.268 0.000000 37.26849 
1 1 1   -6   14   42 f  116.671   46.640   40.640   21.321   40.640   21.321   0.0000   0.0000  116.671   46.640  ?   ?  0.000000 46.63984 
1 1 1   -6   14   43 o   71.255   29.198   7.8432   8.5960   11.322   11.463   3.3743   12.993   79.234   33.202   69.245   31.790 9.988014 45.96717 
1 1 1   -6   14   44 o   58.670   26.152   2.1410   8.0514  -7.1347   10.595   14.817   12.386   53.298   25.699   83.376   34.690 -30.07853 43.17207 
1 1 1   -6   14   45 f  125.165   26.289   27.478   8.2521   23.242   11.124   32.662   12.306  100.320   34.917  119.161   36.463 -18.84099 50.48532 
1 1 1   -6   14   46 o   64.740   28.161   6.5747   8.8186   5.8234   11.992   7.4595   13.014   65.978   30.382   68.427   31.560 -2.449135 43.80790 
1 1 1   -6   15    1 o  353.986   14.744  162.718   13.519  149.700   19.486  174.800   18.773  338.227   22.368  365.967   19.878 -27.74039 29.92385 
1 1 1   -6   15    2 o  587.246   11.999  447.421   18.252  430.742   22.385  480.500   31.525  575.914   15.006  607.624   20.029 -31.71002 25.02691 
1 1 1   -6   15    3 o  1284.14   16.313  2142.57   54.263  2167.67   67.315  2096.00   91.696  1290.56   20.137  1266.19   27.958 24.36707 34.45456 
1 1 1   -6   15    4 o  705.731   10.836  645.966   19.809  663.403   28.494  629.659   27.557  714.680   15.392  696.281   15.279 18.39886 21.68762 
1 1 1   -6   15    5 o  572.338   10.592  424.822   15.703  421.723   22.177  427.939   22.237  569.860   15.024  574.051   14.955 -4.191406 21.19806 
1 1 1   -6   15    6 o  457.309   15.180  271.601   17.981   0.0000   0.0000  271.601   17.981  ?   ?   457.309   15.180 0.000000 15.17957 
1 1 1   -6   15    7 o  435.059   11.595  245.535   13.066  254.925   18.900  236.939   18.084  442.939   16.473  427.038   16.348 15.90094 23.20845 
1 1 1   -6   15    8 o  384.407   17.943  192.122   17.866   0.0000   0.0000  192.122   17.866  ?   ?   384.407   17.943 0.000000 17.94310 
1 1 1   -6   15    9 o  624.157   13.953  505.754   22.558  526.200   42.062  497.499   26.727  634.874   25.577  618.728   16.677 16.14618 30.53361 
1 1 1   -6   15   10 o  960.504   25.990  1205.00   64.662  1205.00   64.662   0.0000   0.0000  960.504   25.990  ?   ?  0.000000 25.98955 
1 1 1   -6   15   11 o  1078.84   14.937  1511.83   41.742  1649.00   79.283  1459.23   49.099  1122.91   27.257  1059.23   17.895 63.67725 32.60646 
1 1 1   -6   15   12 o  672.047   16.522  587.155   28.761  585.600   41.443  588.600   39.947  669.787   23.887  671.701   22.959 -1.913452 33.13214 
1 1 1   -6   15   13 o  473.326   16.738  291.352   20.522  321.300   31.898  270.200   26.807  495.215   24.947  455.036   22.744 40.17917 33.75802 
1 1 1   -6   15   14 o  442.756   25.161  257.200   28.737  257.200   28.737   0.0000   0.0000  442.756   25.161  ?   ?  0.000000 25.16099 
1 1 1   -6   15   15 o  192.932   24.491   49.447   11.964   0.0000   0.0000   49.447   11.964  ?   ?   192.932   24.491 0.000000 24.49102 
1 1 1   -6   15   16 o  180.469   20.518   43.037   9.4211   49.840   24.850   41.895   10.181  188.592   50.042  177.642   22.641 10.94995 54.92528 
1 1 1   -6   15   17 o  553.864   25.075  402.200   35.974  402.200   35.974   0.0000   0.0000  553.864   25.075  ?   ?  0.000000 25.07488 
1 1 1   -6   15   18 o  195.531   16.549   50.157   8.3031   57.819   12.016   43.154   11.487  208.978   22.555  179.600   25.400 29.37737 33.96879 
1 1 1   -6   15   19 o  566.574   15.181  418.013   22.280   0.0000   0.0000  418.013   22.280  ?   ?   566.574   15.181 0.000000 15.18138 
1 1 1   -6   15   20 o  125.587   27.243   21.599   8.6074   13.210   11.656   31.660   12.765  103.629   35.761  151.338   33.452 -47.70925 48.96842 
1 1 1   -6   15   21 o  185.630   16.909   45.367   8.0413   52.646   11.213   37.662   11.538  199.011   22.127  166.577   27.713 32.43343 35.46296 
1 1 1   -6   15   22 o  151.821   36.534   32.369   14.193   42.170   22.436   25.830   18.327  171.141   48.432  137.740   44.812 33.40076 65.98305 
1 1 1   -6   15   23 o   84.542   27.113   9.3458   6.7252   10.272   10.652   8.7321   8.6719   94.068   34.026   86.217   30.758 7.850861 45.86789 
1 1 1   -6   15   24 o  313.112   16.843  128.992   13.610   0.0000   0.0000  128.992   13.610  ?   ?   313.112   16.843 0.000000 16.84305 
1 1 1   -6   15   25 o   99.837   27.518   13.869   7.3450   14.612   11.294   13.324   9.6693  104.825   35.218   99.677   32.556 5.147743 47.96075 
1 1 1   -6   15   26 o  258.017   12.818   87.125   8.5669   86.295   12.327   87.901   11.915  254.616   18.823  257.284   17.991 -2.668198 26.03862 
1 1 1   -6   15   27 o  288.491   19.176  111.149   14.248  111.149   14.248   0.0000   0.0000  288.491   19.176  ?   ?  0.000000 19.17626 
1 1 1   -6   15   28 o  218.181   14.412   62.971   8.0990   57.602   11.701   67.910   11.222  205.634   22.325  224.722   19.471 -19.08824 29.62314 
1 1 1   -6   15   29 o  297.849   12.385  116.520   9.5555  109.810   14.091  122.233   13.002  285.824   19.143  302.955   16.632 -17.13092 25.35880 
1 1 1   -6   15   30 o  212.369   14.861   60.011   8.1236   59.577   12.480   60.329   10.701  207.482   23.644  210.781   19.832 -3.299622 30.86010 
1 1 1   -6   15   31 o  282.464   13.848  105.642   10.132  100.300   15.557  109.577   13.353  269.702   22.473  284.924   18.187 -15.22232 28.91072 
1 1 1   -6   15   32 o  287.556   19.236  112.769   14.246  112.769   14.246   0.0000   0.0000  287.556   19.236  ?   ?  0.000000 19.23630 
1 1 1   -6   15   33 o  317.219   15.072  134.825   12.385   91.860   22.040  154.651   14.972  242.131   36.257  337.696   17.173 -95.56479 40.11818 
1 1 1   -6   15   34 o  127.735   21.870   23.344   6.9759   19.941   9.3848   27.546   10.428  112.928   31.096  133.294   30.819 -20.36604 43.78086 
1 1 1   -6   15   35 o   83.345   26.314   10.337   6.3537   7.1234   10.155   12.404   8.1448   79.121   31.990   90.161   29.901 -11.04014 43.78842 
1 1 1   -6   15   36 o  182.533   17.892   46.389   8.3509   46.887   12.446   45.982   11.262  174.842   28.461  175.770   25.478 -0.9288177 38.19922 
1 1 1   -6   15   37 o  204.029   16.164   57.432   8.4729   63.045   11.546   50.882   12.472  208.926   21.650  182.300   27.248 26.62645 34.80194 
1 1 1   -6   15   38 f   91.594   29.142   13.598   7.7813   6.6441   11.296   19.876   10.734   77.451   32.733  106.417   34.266 -28.96585 47.38834 
1 1 1   -6   15   39 o  137.928   25.608   29.702   8.8123   31.589   12.705   27.953   12.233  130.564   36.270  122.534   36.099 8.029938 51.17274 
1 1 1   -6   15   40 o   58.198   26.011   0.4218   8.0229  -4.6982   11.045   6.1398   11.673   59.298   27.914   74.355   32.371 -15.05628 42.74490 
1 1 1   -6   15   41 f   64.335   29.939  -1.1290   12.111  -1.1290   12.111   0.0000   0.0000   64.335   29.939  ?   ?  0.000000 29.93900 
1 1 1   -6   15   42 o   62.969   28.983   0.5628   10.895   8.5850   21.776  -2.1156   12.583   80.689   38.342   63.035   29.710 17.65474 48.50537 
1 1 1   -6   15   43 f  164.897   29.822   48.886   12.269   45.380   23.208   50.246   14.454  110.509   46.823  155.992   36.430 -45.48307 59.32571 
1 1 1   -6   15   44 f   45.505   21.847  -5.9280   7.4681  -3.7451   12.249  -7.2194   9.4217   58.803   28.165   49.759   24.052 9.043667 37.03734 
1 1 1   -6   15   45 o  102.228   31.224   21.894   9.0284   25.731   12.488   17.692   13.069   99.054   36.677   82.906   35.132 16.14719 50.78844 
1 1 1   -6   16    1 o  863.123   11.666  966.466   26.081  983.873   37.390  949.970   36.399  870.124   16.589  855.028   16.435 15.09668 23.35161 
1 1 1   -6   16    2 o  1204.61   13.771  1883.75   42.971  1890.98   60.984  1876.61   60.559  1205.52   19.530  1200.95   19.467 4.571289 27.57495 
1 1 1   -6   16    3 o  874.507   11.928  992.212   27.020  958.367   37.608  1028.32   38.847  858.708   16.908  889.505   16.860 -30.79688 23.87741 
1 1 1   -6   16    4 o  437.196   12.009  247.996   13.600  229.602   19.328  266.031   19.139  420.228   17.757  452.474   16.330 -32.24573 24.12381 
1 1 1   -6   16    5 o  638.857   11.802  529.515   19.530  512.401   27.803  546.183   27.438  627.853   17.096  648.321   16.339 -20.46808 23.64773 
1 1 1   -6   16    6 o  323.510   14.391  135.901   12.060  140.109   17.917  132.416   16.307  327.301   21.249  318.350   19.874 8.951019 29.09433 
1 1 1   -6   16    7 o  430.658   13.007  240.727   14.509  238.216   21.673  242.766   19.532  427.822   19.557  432.104   17.451 -4.281921 26.21087 
1 1 1   -6   16    8 o  409.502   18.949  218.213   20.100  221.000   29.849  215.900   27.189  409.985   28.280  405.674   26.011 4.311279 38.42322 
1 1 1   -6   16    9 o  388.402   26.280  198.100   26.284  198.100   26.284   0.0000   0.0000  388.402   26.280  ?   ?  0.000000 26.27971 
1 1 1   -6   16   10 o  532.544   12.168  368.084   16.785  527.900   35.532  322.178   19.044  636.329   21.557  497.983   14.763 138.3468 26.12790 
1 1 1   -6   16   11 o  453.034   14.584  266.663   17.115   0.0000   0.0000  266.663   17.115  ?   ?   453.034   14.584 0.000000 14.58429 
1 1 1   -6   16   12 o  317.374   12.821  130.795   10.540  131.200   24.780  130.705   11.647  314.489   30.815  317.174   14.176 -2.685059 33.91910 
1 1 1   -6   16   13 o  513.438   13.999  342.550   18.619  329.200   33.201  348.674   22.487  500.760   25.682  517.638   16.771 -16.87817 30.67312 
1 1 1   -6   16   14 o  481.700   17.419  302.152   21.735  298.300   32.412  305.300   29.299  476.257   26.376  483.151   23.411 -6.894043 35.26710 
1 1 1   -6   16   15 o  216.386   37.378   63.900   20.193   63.900   20.193   0.0000   0.0000  216.386   37.378  ?   ?  0.000000 37.37817 
1 1 1   -6   16   16 o  584.125   13.833  443.666   20.930  449.500   38.456  441.211   24.949  585.220   25.368  582.010   16.549 3.210266 30.28919 
1 1 1   -6   16   17 o  600.714   12.994  469.153   20.219  433.200   37.114  484.327   24.112  574.303   24.948  609.910   15.262 -35.60645 29.24640 
1 1 1   -6   16   18 o  135.525   26.707   25.016   9.0421   5.1810   25.774   27.800   9.6557  118.263   49.683  142.968   27.064 -24.70522 56.57640 
1 1 1   -6   16   19 o  328.544   15.065  140.670   12.820  175.900   19.121  111.900   17.280  365.936   20.252  290.935   23.120 75.00079 30.73541 
1 1 1   -6   16   20 o  379.372   11.780  187.196   11.576  203.873   16.821  172.191   15.956  395.119   16.435  363.024   16.968 32.09482 23.62266 
1 1 1   -6   16   21 o  440.262   23.789  256.700   27.029   0.0000   0.0000  256.700   27.029  ?   ?   440.262   23.789 0.000000 23.78949 
1 1 1   -6   16   22 f  196.713   17.898   51.163   9.0201   67.440   21.643   47.741   9.9229  218.577   39.689  189.337   20.563 29.24026 44.69935 
1 1 1   -6   16   23 o  262.902   13.548   90.523   9.1945   74.437   12.916  107.049   13.092  236.323   21.329  284.840   17.834 -48.51736 27.80250 
1 1 1   -6   16   24 o  141.044   21.035   26.927   7.4501   32.401   11.072   22.397   10.071  152.394   29.109  125.799   31.087 26.59486 42.58751 
1 1 1   -6   16   25 o  204.642   16.046   55.460   8.4373   51.293   12.399   59.054   11.515  193.605   25.331  209.418   21.534 -15.81279 33.24714 
1 1 1   -6   16   26 f  286.740   13.143  107.850   9.7622  107.478   14.237  108.180   13.412  283.486   19.506  284.967   18.266 -1.480194 26.72338 
1 1 1   -6   16   27 o  161.715   26.777   36.668   10.824   0.0000   0.0000   36.668   10.824  ?   ?   161.715   26.777 0.000000 26.77660 
1 1 1   -6   16   28 o  216.969   15.229   62.565   8.5045   54.121   12.296   70.310   11.776  197.726   24.534  227.955   20.150 -30.22896 31.74812 
1 1 1   -6   16   29 o  234.929   19.773   74.823   11.921   0.0000   0.0000   74.823   11.921  ?   ?   234.929   19.773 0.000000 19.77318 
1 1 1   -6   16   30 o  129.890   23.573   23.840   7.6391   24.220   11.776   23.565   10.038  125.847   34.904  125.777   31.006 0.7003784E-01 46.68705 
1 1 1   -6   16   31 o  122.144   25.600   21.615   7.8406   27.042   9.8087   12.010   13.049  135.237   28.879   96.131   37.060 39.10605 46.98333 
1 1 1   -6   16   32 o  220.234   24.504   69.076   13.742   75.630   22.945   65.410   17.160  212.023   43.243  206.958   33.127 5.065308 54.47396 
1 1 1   -6   16   33 o  214.949   14.394   62.197   7.9680   57.503   11.482   66.556   11.066  201.368   22.392  218.836   19.735 -17.46764 29.84752 
1 1 1   -6   16   34 o  135.407   22.044   26.412   7.4659   25.163   10.766   27.569   10.362  124.804   32.854  132.401   30.795 -7.597313 45.03002 
1 1 1   -6   16   35 o  140.096   22.910   28.692   8.0265   30.221   11.644   27.307   11.080  135.518   33.387  128.895   33.033 6.623047 46.96688 
1 1 1   -6   16   36 o  122.140   25.720   22.792   7.8801   23.417   10.879   22.102   11.429  117.356   33.893  112.916   35.239 4.440094 48.89262 
1 1 1   -6   16   37 o   91.507   29.360   13.563   7.8852  -0.2211   11.607   25.376   10.746   67.888   30.732  121.642   33.183 -53.75382 45.22792 
1 1 1   -6   16   38 o   53.512   24.561  -2.5541   7.7501 -11.7577   11.119   6.1411   10.808   53.804   26.036   74.826   31.838 -21.02169 41.12858 
1 1 1   -6   16   39 o   85.081   28.258   12.069   7.2733   8.7117   9.2259   17.581   11.822   76.538   30.651   96.032   35.661 -19.49393 47.02315 
1 1 1   -6   16   40 o   57.698   26.297  -0.5923   8.6805   0.7062   14.641  -1.2962   10.779   70.484   32.840   61.678   28.544 8.806129 43.51127 
1 1 1   -6   16   41 o   75.039   36.412  -1.0600   22.130  -1.0600   22.130   0.0000   0.0000   75.039   36.412  ?   ?  0.000000 36.41164 
1 1 1   -6   16   42 o   75.420   29.889   10.090   8.6851   7.4601   11.611   13.429   13.086   72.073   31.802   81.468   34.857 -9.394882 47.18462 
1 1 1   -6   16   43 o   73.027   31.460   9.3169   10.794   23.340   21.529   4.6079   12.475   87.099   40.320   67.755   31.122 19.34353 50.93392 
1 1 1   -6   16   44 o   63.892   28.894   4.6170   10.230  -2.0770   22.607   6.3408   11.472   68.682   34.011   67.315   30.505 1.366974 45.68753 
1 1 1   -6   16   45 o   75.021   30.733   12.520   9.5205   15.817   13.769   9.4987   13.178   77.074   34.289   69.608   31.978 7.466652 46.88601 
1 1 1   -6   17    1 o  811.913   11.813  855.340   24.843  874.040   35.912  838.177   34.404  819.950   16.908  803.017   16.540 16.93262 23.65292 
1 1 1   -6   17    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   17    3 o  905.144   17.088  1065.25   40.065   0.0000   0.0000  1065.25   40.065  ?   ?   905.144   17.088 0.000000 17.08820 
1 1 1   -6   17    4 o  189.621   20.220   47.350   9.7783   33.167   14.303   59.795   13.399  155.615   36.171  212.577   24.799 -56.96245 43.85537 
1 1 1   -6   17    5 o  710.684   13.428  655.777   24.719  592.000   43.179  686.870   30.148  673.233   24.760  726.955   16.011 -53.72253 29.48573 
1 1 1   -6   17    6 o  814.368   16.611  862.303   35.040  885.400   51.932  843.000   47.476  823.359   24.350  803.816   22.802 19.54309 33.35912 
1 1 1   -6   17    7 o  482.167   23.826  303.600   29.757   0.0000   0.0000  303.600   29.757  ?   ?   482.167   23.826 0.000000 23.82569 
1 1 1   -6   17    8 o  766.578   13.352  763.139   26.512  756.180   32.573  776.800   45.636  762.536   16.491  771.413   22.838 -8.876831 28.16995 
1 1 1   -6   17    9 o  495.753   22.725  320.900   29.182   0.0000   0.0000  320.900   29.182  ?   ?   495.753   22.725 0.000000 22.72499 
1 1 1   -6   17   10 o  395.126   13.450  202.807   13.766  188.000   28.199  207.440   15.773  377.303   29.077  399.445   15.244 -22.14166 32.83105 
1 1 1   -6   17   11 o  956.840   12.207  1188.83   30.255  1196.00   62.995  1186.68   34.493  955.615   25.449  955.602   13.935 0.1354980E-01 29.01439 
1 1 1   -6   17   12 o  457.310   11.372  271.499   13.471  276.300   29.980  270.284   15.080  458.519   25.340  456.146   12.763 2.373230 28.37279 
1 1 1   -6   17   13 f  185.717   18.562   45.409   8.8099  130.600   23.295   31.191   9.5167  313.723   28.994  152.349   24.982 161.3734 38.27188 
1 1 1   -6   17   14 o  477.164   14.308  296.143   17.684  308.900   33.491  291.211   20.824  484.050   26.816  472.760   17.005 11.29037 31.75289 
1 1 1   -6   17   15 o  270.022   23.741   96.331   16.437  119.700   25.016   78.580   21.803  298.746   32.871  240.401   36.131 58.34500 48.84621 
1 1 1   -6   17   16 o  314.727   35.453  133.700   28.399  133.700   28.399   0.0000   0.0000  314.727   35.453  ?   ?  0.000000 35.45337 
1 1 1   -6   17   17 o  293.640   22.879  113.875   17.265   0.0000   0.0000  113.875   17.265  ?   ?   293.640   22.879 0.000000 22.87918 
1 1 1   -6   17   18 o  582.181   15.517  442.052   23.399   0.0000   0.0000  442.052   23.399  ?   ?   582.181   15.517 0.000000 15.51654 
1 1 1   -6   17   19 o  315.874   14.699  130.135   12.027  107.800   28.719  134.885   13.245  278.491   41.042  321.395   15.909 -42.90396 44.01719 
1 1 1   -6   17   20 o  318.080   19.520  133.351   16.005  127.600   23.798  138.100   21.627  307.405   30.280  321.520   26.196 -14.11566 40.03921 
1 1 1   -6   17   21 o  388.316   29.917  203.700   29.861  203.700   29.861   0.0000   0.0000  388.316   29.917  ?   ?  0.000000 29.91717 
1 1 1   -6   17   22 o  138.406   31.656   26.974   11.102   26.974   11.102   0.0000   0.0000  138.406   31.656  ?   ?  0.000000 31.65556 
1 1 1   -6   17   23 o  216.354   15.584   61.771   8.6749   65.366   12.502   58.434   12.047  220.552   22.185  208.239   22.701 12.31374 31.74161 
1 1 1   -6   17   24 o  103.269   32.510   14.812   9.7044   0.0000   0.0000   14.812   9.7044  ?   ?   103.269   32.510 0.000000 32.51046 
1 1 1   -6   17   25 o  145.175   19.282   28.510   7.0715   25.592   11.515   30.276   8.9601  132.577   33.513  147.973   24.214 -15.39554 41.34574 
1 1 1   -6   17   26 o  120.294   20.781   19.923   6.2410   22.866   10.322   18.227   7.8354  125.254   31.767  113.027   27.111 12.22775 41.76336 
1 1 1   -6   17   27 o  146.328   18.448   29.025   6.8370   28.026   9.8433   29.957   9.5037  139.885   28.140  145.629   26.155 -5.743881 38.41857 
1 1 1   -6   17   28 o  232.895   14.331   72.013   8.6033   79.186   12.948   66.343   11.512  241.001   20.950  220.769   20.360 20.23233 29.21370 
1 1 1   -6   17   29 o  107.542   23.260   16.457   6.2911   21.582   9.8882   12.973   8.1543  120.109   31.422   94.775   29.795 25.33366 43.30244 
1 1 1   -6   17   30 o   57.358   24.482   0.7990   6.4267   4.1760   9.5860  -1.9580   8.6615   74.225   30.670   60.453   27.022 13.77282 40.87579 
1 1 1   -6   17   31 f   85.553   36.578   5.2520   14.390  -2.8920   22.225   11.130   18.881   90.094   41.441  100.314   42.353 -10.22007 59.25457 
1 1 1   -6   17   32 f  219.186   15.223   64.951   8.5896   69.035   12.137   60.854   12.158  221.585   21.413  206.627   23.111 14.95767 31.50604 
1 1 1   -6   17   33 o  123.329   25.071   22.626   7.7363   21.502   10.873   23.779   11.010  114.449   34.112  120.503   33.867 -6.053802 48.06823 
1 1 1   -6   17   34 o   82.527   28.491   10.165   7.3988   11.452   10.628   8.9550   10.306   88.078   33.571   82.326   32.581 5.752647 46.78153 
1 1 1   -6   17   35 o   67.038   26.958   4.8466   7.1691  -1.4644   9.9151   11.761   10.378   62.677   28.386   87.704   33.234 -25.02756 43.70658 
1 1 1   -6   17   36 o   75.922   28.027   8.3621   7.2811   19.525   11.380   0.6245   9.4743  104.919   35.352   64.003   28.459 40.91579 45.38372 
1 1 1   -6   17   37 o  158.192   20.660   36.626   8.2637   26.421   11.507   47.494   11.875  120.876   34.842  173.480   27.330 -52.60426 44.28203 
1 1 1   -6   17   38 o  146.076   23.549   32.787   8.6077   29.272   12.209   36.262   12.138  124.060   35.925  142.638   33.434 -18.57813 49.07592 
1 1 1   -6   17   39 o   65.674   27.911   4.5926   8.2883   8.6249   12.662   1.5697   10.963   77.905   33.816   65.746   29.805 12.15916 45.07638 
1 1 1   -6   17   40 o  108.761   40.988   29.640   15.731   29.640   15.731   0.0000   0.0000  108.761   40.988  ?   ?  0.000000 40.98772 
1 1 1   -6   17   41 o   45.367   22.635 -19.1590   10.793 -36.7000   21.149 -12.9814   12.551   57.274   28.977   53.392   26.228 3.882008 39.08429 
1 1 1   -6   17   42 o   55.836   25.994  -1.0769   9.1433  -6.7255   12.923   4.5849   12.938   57.750   27.976   68.240   31.472 -10.48954 42.10892 
1 1 1   -6   17   43 f   51.614   24.170  -1.8632   8.0962 -13.4222   12.814   5.8181   10.445   52.016   25.731   65.998   29.575 -13.98225 39.20201 
1 1 1   -6   17   44 o   88.939   33.848   19.838   10.794   17.840   20.481   20.606   12.701   76.752   36.669   86.245   35.433 -9.493279 50.99143 
1 1 1   -6   18    1 o  643.853   12.828  538.245   21.394  580.900   38.572  519.292   25.711  667.191   22.319  632.022   15.705 35.16888 27.29076 
1 1 1   -6   18    2 o  468.421   13.428  284.965   16.293  273.300   29.954  289.866   19.416  456.419   25.437  472.173   15.875 -15.75409 29.98442 
1 1 1   -6   18    3 o  156.057   35.504   33.398   14.028   41.510   20.767   26.590   19.026  173.134   45.654  142.258   45.601 30.87622 64.52667 
1 1 1   -6   18    4 o  150.398   29.646   30.703   11.139   29.412   13.777   33.140   18.928  146.344   36.474  155.595   44.638 -9.250870 57.64440 
1 1 1   -6   18    5 o  717.489   11.449  668.138   21.278  667.786   30.841  668.457   29.394  716.466   16.618  716.973   15.827 -0.5071411 22.94915 
1 1 1   -6   18    6 o  429.238   17.726  239.864   19.708  239.864   19.708   0.0000   0.0000  429.238   17.726  ?   ?  0.000000 17.72556 
1 1 1   -6   18    7 o  191.896   24.015   48.889   11.676   45.507   14.873   54.320   18.849  183.209   32.532  199.275   37.901 -16.06598 49.94771 
1 1 1   -6   18    8 o  433.959   14.005  244.747   15.743  239.932   19.411  254.000   26.910  429.259   17.457  440.056   23.695 -10.79645 29.43144 
1 1 1   -6   18    9 o  364.520   14.762  172.783   13.939  179.634   17.323  160.200   23.475  371.316   18.010  348.560   26.192 22.75513 31.78630 
1 1 1   -6   18   10 o  549.708   11.374  392.342   16.195  367.783   22.483  418.827   23.348  531.526   16.330  567.290   15.889 -35.76355 22.78428 
1 1 1   -6   18   11 o  300.080   13.303  117.044   10.340  170.800   26.781  107.626   11.210  358.977   29.050  287.212   15.121 71.76559 32.74983 
1 1 1   -6   18   12 o  169.320   19.288   37.900   8.3087   34.690   24.473   38.318   8.8333  160.285   51.755  170.051   20.465 -9.766418 55.65374 
1 1 1   -6   18   13 o  623.634   11.306  505.180   18.264  438.500   38.500  524.544   20.747  577.515   25.736  635.248   12.609 -57.73297 28.65906 
1 1 1   -6   18   14 o  326.912   13.202  139.007   11.179  159.800   24.831  133.721   12.520  346.915   27.868  320.428   15.084 26.48718 31.68842 
1 1 1   -6   18   15 o  404.764   15.831  213.596   16.598  176.400   30.994  228.553   19.654  362.348   33.398  418.265   18.141 -55.91699 38.00662 
1 1 1   -6   18   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   18   17 o  538.422   27.573  385.400   38.327  385.400   38.327   0.0000   0.0000  538.422   27.573  ?   ?  0.000000 27.57330 
1 1 1   -6   18   18 o  328.629   35.759  147.600   29.948  147.600   29.948   0.0000   0.0000  328.629   35.759  ?   ?  0.000000 35.75882 
1 1 1   -6   18   19 o  322.388   17.589  136.641   14.632  151.700   25.717  129.432   17.793  335.182   29.935  312.386   22.133 22.79614 37.22847 
1 1 1   -6   18   20 o  252.101   45.146   91.820   28.399   91.820   28.399   0.0000   0.0000  252.101   45.146  ?   ?  0.000000 45.14650 
1 1 1   -6   18   21 o  202.466   18.789   54.500   9.7416   75.160   29.069   51.887   10.339  222.467   51.467  197.006   20.564 25.46123 55.42319 
1 1 1   -6   18   22 o  230.703   18.818   70.837   11.148   63.680   28.447   72.136   12.117  201.224   53.611  232.303   20.341 -31.07932 57.34022 
1 1 1   -6   18   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   18   24 o  222.795   15.156   65.736   8.6947   55.693   12.807   74.321   11.842  201.107   25.134  235.273   19.610 -34.16600 31.87886 
1 1 1   -6   18   25 o  250.122   14.302   82.745   9.2279   80.744   13.670   84.419   12.508  243.722   21.887  250.480   19.430 -6.758179 29.26679 
1 1 1   -6   18   26 o  145.220   20.960   28.982   7.6562   27.386   11.522   30.244   10.245  135.920   33.047  145.254   28.246 -9.333954 43.47358 
1 1 1   -6   18   27 f   61.410   25.298   2.2442   6.4961   4.7064   9.4553   0.0432   8.9400   75.844   30.797   65.363   28.393 10.48090 41.88818 
1 1 1   -6   18   28 o   74.399   25.919   7.2273   6.1302   6.3196   8.8415   8.0675   8.5069   77.487   30.328   81.102   30.224 -3.615082 42.81670 
1 1 1   -6   18   29 o   61.746   26.370   1.1166   7.4636  -8.0450   10.247   11.470   10.893   57.806   27.108   92.238   34.235 -34.43251 43.66805 
1 1 1   -6   18   30 o  198.393   19.490   54.339   9.8865   67.340   11.400   14.890   19.857  220.546   20.179  106.180   44.029 114.3652 48.43291 
1 1 1   -6   18   31 o   70.681   28.954   4.4530   8.4498   38.660   17.226  -6.3856   9.6965  147.597   42.654   57.022   26.620 90.57533 50.27928 
1 1 1   -6   18   32 o   90.883   27.804   12.607   7.1557   12.905   9.8303   12.270   10.436   91.912   32.753   90.678   33.539 1.234222 46.87848 
1 1 1   -6   18   33 o  173.175   18.715   42.109   8.2615   41.146   11.847   43.021   11.526  162.765   29.172  168.086   27.419 -5.321442 40.03474 
1 1 1   -6   18   34 o  120.887   24.477   22.077   7.4016   22.747   10.522   21.420   10.414  115.890   33.291  112.363   33.360 3.527008 47.12947 
1 1 1   -6   18   35 o   57.937   25.058   1.3302   6.9026   0.3711   10.678   2.0187   9.0468   66.507   29.846   65.150   28.428 1.357193 41.21822 
1 1 1   -6   18   36 o   67.214   26.456   5.7040   6.7609   10.547   9.0383  -0.4492   10.187   82.002   31.029   63.454   28.752 18.54796 42.30219 
1 1 1   -6   18   37 o  117.182   27.401   22.500   8.1687   29.919   12.454   16.899   10.822  125.038   36.307   95.577   34.332 29.46094 49.96872 
1 1 1   -6   18   38 f   92.357   30.044   15.199   8.2379   6.6765   12.370   21.991   11.043   74.862   32.938  105.724   34.805 -30.86198 47.91936 
1 1 1   -6   18   39 o   56.225   25.462   0.1045   7.9769  -3.2300   11.157   3.5918   11.409   59.407   27.993   67.903   30.628 -8.495892 41.49331 
1 1 1   -6   18   40 o   70.755   33.148   3.4992   15.257   0.5291   22.880   5.8770   20.472   74.425   36.317   76.289   36.507 -1.864357 51.49405 
1 1 1   -6   18   41 o  127.637   30.163   30.654   9.8144   39.833   13.677   20.910   14.091  131.721   37.990   90.459   37.261 41.26196 53.21330 
1 1 1   -6   18   42 o   93.893   31.420   18.636   8.9888   16.912   12.379   20.558   13.074   83.470   34.700   88.868   36.165 -5.397980 50.11958 
1 1 1   -6   18   43 o  128.983   25.610   29.713   8.2546   37.179   13.443   25.195   10.458  118.447   38.370  103.576   33.860 14.87151 51.17377 
1 1 1   -6   18   44 o   46.455   22.673  -7.0545   8.9291 -36.1365   12.531   22.939   12.726   39.933   20.400   86.863   35.552 -46.93044 40.98905 
1 1 1   -6   19    1 o  490.079   11.701  311.829   14.854  312.325   21.391  311.366   20.643  489.825   16.859  489.155   16.292 0.6701355 23.44517 
1 1 1   -6   19    2 o  282.715   15.201  104.246   11.091  120.580   16.276   90.087   15.154  303.238   20.848  261.590   22.586 41.64853 30.73670 
1 1 1   -6   19    3 o  422.268   11.725  231.518   12.824  235.878   18.819  227.738   17.523  425.630   17.070  418.335   16.171 7.295380 23.51311 
1 1 1   -6   19    4 o  545.788   11.511  386.755   16.274  386.560   23.509  386.934   22.550  544.920   16.655  545.297   15.965 -0.3774414 23.07089 
1 1 1   -6   19    5 o  252.819   16.925   83.599   11.020   97.354   16.504   72.533   14.804  271.728   23.685  234.025   24.799 37.70354 34.29191 
1 1 1   -6   19    6 o  569.795   11.826  421.637   17.455  411.593   24.876  431.379   24.498  562.138   17.084  575.614   16.431 -13.47510 23.70298 
1 1 1   -6   19    7 o  1101.99   15.458  1580.34   44.125  1529.60   53.140  1693.00   79.184  1082.85   18.945  1135.09   26.931 -52.23230 32.92747 
1 1 1   -6   19    8 o  620.895   13.623  501.226   21.911  499.857   27.305  503.700   36.717  619.378   17.019  620.262   22.853 -0.8836670 28.49402 
1 1 1   -6   19    9 o  362.412   13.706  170.802   12.867  190.583   19.635  155.916   17.033  381.452   19.942  345.078   19.131 36.37357 27.63409 
1 1 1   -6   19   10 o  280.505   16.025  102.831   11.595   82.382   17.191  119.897   15.706  248.733   27.122  302.206   20.179 -53.47313 33.80560 
1 1 1   -6   19   11 f  417.756   14.921  227.239   16.146  227.800   30.543  227.021   19.021  414.399   28.629  417.121   17.605 -2.722565 33.60912 
1 1 1   -6   19   12 o  247.745   14.890   80.227   9.5110  119.400   22.666   71.855   10.478  298.919   29.664  234.005   17.411 64.91367 34.39659 
1 1 1   -6   19   13 o  408.960   12.260  217.498   12.987  291.200   31.789  202.732   14.229  469.090   26.268  394.600   13.921 74.48935 29.72841 
1 1 1   -6   19   14 o  292.865   16.606  112.331   12.546   0.0000   0.0000  112.331   12.546  ?   ?   292.865   16.606 0.000000 16.60594 
1 1 1   -6   19   15 o  366.347   17.119  175.438   16.245   0.0000   0.0000  175.438   16.245  ?   ?   366.347   17.119 0.000000 17.11943 
1 1 1   -6   19   16 o  333.023   17.502  145.554   15.044  200.700   30.951  128.494   17.215  386.037   31.220  311.794   21.446 74.24289 37.87585 
1 1 1   -6   19   17 o  328.842   18.621  142.358   15.796  150.800   29.920  139.096   18.600  331.729   35.366  323.903   22.304 7.825867 41.81163 
1 1 1   -6   19   18 o  162.000   37.821   37.384   15.582   64.210   23.224   15.420   21.015  210.816   43.953  121.030   46.926 89.78611 64.29563 
1 1 1   -6   19   19 o  133.931   30.173   25.146   10.216   75.200   27.820   17.343   10.984  224.593   49.182  112.023   34.477 112.5700 60.06272 
1 1 1   -6   19   20 o  147.129   25.653   29.817   9.4212   26.800   28.282   30.193   9.9919  143.537   54.751  147.597   27.135 -4.059784 61.10585 
1 1 1   -6   19   21 o  307.807   14.475  124.369   11.541   96.640   28.762  129.690   12.599  254.371   45.314  314.019   15.490 -59.64796 47.88797 
1 1 1   -6   19   22 o  211.187   18.522   59.635   10.030   28.290   25.790   65.221   10.887  140.423   52.567  220.655   19.240 -80.23204 55.97713 
1 1 1   -6   19   23 o  154.151   23.300   32.773   9.0133   48.270   25.649   30.589   9.6273  170.995   52.695  147.716   26.116 23.27943 58.81144 
1 1 1   -6   19   24 o  203.645   18.618   55.847   9.7126   94.160   26.935   50.120   10.413  246.714   43.749  191.694   21.333 55.02008 48.67331 
1 1 1   -6   19   25 f  238.435   13.617   75.245   8.3750   77.253   12.089   73.393   11.613  238.846   19.717  232.915   19.426 5.930389 27.67862 
1 1 1   -6   19   26 o  150.560   20.320   31.178   7.7223   27.167   11.630   34.341   10.327  134.218   33.546  155.096   26.667 -20.87793 42.85398 
1 1 1   -6   19   27 o  118.221   25.094   20.119   7.4469   23.192   11.060   17.570   10.072  123.177   33.691  108.075   32.973 15.10189 47.14112 
1 1 1   -6   19   28 o  132.595   24.269   25.212   8.0282   23.310   10.810   27.550   11.988  122.830   33.190  132.858   34.521 -10.02763 47.88779 
1 1 1   -6   19   29 o   76.924   26.532   8.1436   6.4157   11.822   9.1322   4.5585   9.0154   90.377   31.627   72.795   29.873 17.58156 43.50504 
1 1 1   -6   19   30 o  162.666   32.894   41.607   13.383   30.500   22.003   48.130   16.861  126.484   48.281  168.942   39.275 -42.45827 62.23798 
1 1 1   -6   19   31 o  129.241   20.914   23.929   6.7623   26.485   9.5024   21.306   9.6253  130.844   28.816  115.321   31.384 15.52267 42.60639 
1 1 1   -6   19   32 o  127.660   23.809   24.214   7.5835   27.585   11.294   21.446   10.233  128.620   33.550  113.589   32.890 15.03149 46.98220 
1 1 1   -6   19   33 o   64.348   25.054   4.8870   6.0094   9.2587   8.3650   0.2243   8.6389   79.794   29.925   61.441   27.255 18.35306 40.47587 
1 1 1   -6   19   34 o  144.299   20.847   30.378   7.5662   23.680   11.755   35.115   9.8863  114.489   35.739  150.639   26.293 -36.14967 44.36864 
1 1 1   -6   19   35 o  144.458   19.973   30.427   7.2739   26.079   9.8953   35.539   10.729  124.113   30.899  147.743   29.070 -23.63009 42.42454 
1 1 1   -6   19   36 o  106.061   28.380   18.885   7.9500   24.295   11.977   14.623   10.630  111.815   36.216   90.229   33.753 21.58587 49.50628 
1 1 1   -6   19   37 o   42.524   20.719  -9.8304   7.3676  -2.4412   10.645 -16.6247   10.208   60.148   28.017   46.376   22.945 13.77195 36.21353 
1 1 1   -6   19   38 f   76.568   30.608   9.9856   9.1823   15.840   15.067   6.5263   11.582   86.803   37.278   72.122   31.796 14.68036 48.99636 
1 1 1   -6   19   39 o   96.877   37.695   22.796   13.597   22.796   13.597   0.0000   0.0000   96.877   37.695  ?   ?  0.000000 37.69492 
1 1 1   -6   19   40 o   93.465   34.248   19.703   10.842 -14.6400   20.249   33.506   12.837   62.976   31.354  119.933   37.332 -56.95724 48.75201 
1 1 1   -6   19   41 o   48.077   23.216  -6.4889   8.7246   7.0862   11.927 -22.1105   12.795   68.753   31.136   47.295   23.748 21.45874 39.15887 
1 1 1   -6   19   42 o   94.610   31.510   19.788   9.0417   19.420   13.221   20.112   12.393   83.780   35.410   86.304   35.175 -2.524635 49.91198 
1 1 1   -6   19   43 o   48.740   23.345  -3.4679   8.4152  -3.8501   12.728  -3.1712   11.216   55.808   27.200   54.217   26.215 1.590511 37.77695 
1 1 1   -6   20    1 o  630.031   11.498  515.545   18.764  523.060   27.086  508.609   26.020  633.664   16.502  624.942   16.074 8.722229 23.03641 
1 1 1   -6   20    2 o  191.932   20.947   48.715   10.245   42.551   15.050   54.038   13.985  176.234   34.202  200.841   27.613 -24.60669 43.95750 
1 1 1   -6   20    3 o  212.387   19.567   59.394   10.643   62.376   15.833   56.937   14.376  215.647   29.088  206.232   27.604 9.414124 40.10041 
1 1 1   -6   20    4 o  467.081   12.312  283.503   14.897  278.576   21.629  287.949   20.547  462.114   18.069  470.039   16.876 -7.924774 24.72385 
1 1 1   -6   20    5 o  249.594   17.198   81.600   11.051   81.975   16.827   81.316   14.654  248.262   26.580  248.051   23.071 0.2105103 35.19624 
1 1 1   -6   20    6 o  815.131   13.967  864.450   29.491  869.375   36.869  855.700   49.141  816.423   17.434  807.671   23.489 8.751709 29.25153 
1 1 1   -6   20    7 o  537.479   13.990  375.905   19.478  388.108   24.645  355.600   31.790  545.427   17.444  520.528   23.577 24.89954 29.32881 
1 1 1   -6   20    8 o  606.246   11.943  477.704   18.755  468.320   27.035  486.409   26.039  599.067   17.422  610.773   16.459 -11.70636 23.96719 
1 1 1   -6   20    9 o  225.897   20.201   67.308   11.696   72.838   17.493   62.838   15.728  232.742   29.694  216.168   28.805 16.57416 41.36937 
1 1 1   -6   20   10 o  136.802   30.995   25.819   10.729   29.189   16.070   23.109   14.412  144.764   40.996  130.080   39.387 14.68448 56.85030 
1 1 1   -6   20   11 f  280.406   15.847  102.893   11.463   93.334   16.909  111.023   15.593  264.971   24.929  290.237   20.880 -25.26590 32.51827 
1 1 1   -6   20   12 o  363.281   16.810  172.409   15.819   0.0000   0.0000  172.409   15.819  ?   ?   363.281   16.810 0.000000 16.81048 
1 1 1   -6   20   13 o  127.141   33.738   22.487   11.295   0.0000   0.0000   22.487   11.295  ?   ?   127.141   33.738 0.000000 33.73809 
1 1 1   -6   20   14 o  111.177   30.382   17.072   8.9986   50.530   23.545   11.349   9.7379  186.469   48.344   95.334   32.699 91.13463 58.36367 
1 1 1   -6   20   15 o  283.887   15.063  105.590   11.037  139.600   29.493  100.052   11.902  318.438   36.410  275.948   16.730 42.49078 40.06923 
1 1 1   -6   20   16 o  346.565   16.593  157.400   14.896  142.900   28.452  162.875   17.483  322.402   34.612  351.318   19.286 -28.91608 39.62192 
1 1 1   -6   20   17 o  142.569   37.189   29.083   13.877   39.190   25.816   24.975   16.457  162.979   53.194  133.170   42.383 29.80864 68.01415 
1 1 1   -6   20   18 o  259.375   26.504   91.275   17.557   81.260   29.655   96.680   21.785  231.326   50.874  264.096   32.534 -32.76970 60.38710 
1 1 1   -6   20   19 o  259.216   27.656   92.004   18.283  115.100   28.437   75.730   23.871  282.547   39.970  227.072   42.135 55.47549 58.07754 
1 1 1   -6   20   20 f  145.498   27.571   29.686   10.011   64.000   22.548   21.262   11.172  206.120   43.594  121.334   34.120 84.78624 55.35872 
1 1 1   -6   20   21 o  103.376   30.208   15.206   8.5973   29.270   24.318   13.197   9.1909  140.139   51.301   97.682   31.733 42.45726 60.32203 
1 1 1   -6   20   22 o  177.010   19.356   42.371   8.7303   11.390   27.348   45.886   9.2124  117.968   50.431  184.179   19.612 -66.21104 54.10988 
1 1 1   -6   20   23 o  107.887   30.042   16.938   8.7057   43.510   28.066   14.110   9.1574  158.422   55.444   99.408   31.613 59.01380 63.82353 
1 1 1   -6   20   24 o  269.279   17.087   97.194   11.857  148.200   30.130   87.849   12.897  313.888   37.819  254.535   19.715 59.35365 42.64919 
1 1 1   -6   20   25 o   62.114   26.659   0.7072   7.6966   7.4990   24.185  -0.0582   8.1187  106.073   46.377   62.136   27.025 43.93726 53.67615 
1 1 1   -6   20   26 o   68.022   27.905   3.4057   7.8632   30.210   22.696  -0.2508   8.3824  132.905   49.399   62.414   27.295 70.49052 56.43834 
1 1 1   -6   20   27 o   67.430   25.743   5.0738   6.2562  -1.6090   9.2096   10.800   8.5251   62.565   27.923   87.555   30.562 -24.98981 41.39731 
1 1 1   -6   20   28 o  108.455   23.552   17.118   6.4269   16.127   10.069   17.799   8.3491  102.025   33.217  108.046   29.156 -6.021255 44.19772 
1 1 1   -6   20   29 o  108.038   39.938   19.368   14.795 -17.6200   23.776   42.740   18.900   79.793   38.480  151.687   44.920 -71.89404 59.14846 
1 1 1   -6   20   30 o   55.544   23.856   0.9528   6.1717   5.1186   9.9594  -1.6441   7.8635   74.363   31.037   56.685   25.511 17.67840 40.17585 
1 1 1   -6   20   31 o   75.069   26.544   8.1048   6.4444   1.6382   10.191   12.414   8.3189   68.145   29.941   88.920   30.224 -20.77505 42.54414 
1 1 1   -6   20   32 o   87.265   26.040   11.858   6.3335   23.878   9.8699   3.4446   8.2579  119.822   31.415   66.097   27.963 53.72553 42.05775 
1 1 1   -6   20   33 o   76.016   27.828   8.5690   7.1559   4.0325   11.289   11.616   9.2520   72.769   31.754   85.289   31.572 -12.51995 44.77844 
1 1 1   -6   20   34 o   81.199   27.419   10.527   6.8459   4.2289   9.1903   18.378   10.261   68.379   29.233  101.114   33.562 -32.73446 44.50872 
1 1 1   -6   20   35 o   52.146   24.075  -2.7144   7.6007 -18.2042   11.275   10.188   10.290   48.819   24.147   80.305   32.296 -31.48568 40.32489 
1 1 1   -6   20   36 o   93.681   27.546   15.016   7.1291   12.131   9.2369   19.267   11.212   82.915   31.370   98.292   34.983 -15.37722 46.98810 
1 1 1   -6   20   37 o   54.715   25.266  -1.5559   8.3774  -3.9912   12.522   0.4176   11.272   61.159   29.065   63.483   29.313 -2.324436 41.27954 
1 1 1   -6   20   38 o   65.311   28.658   4.8374   9.3086   7.9230   14.756   2.7980   11.997   74.384   34.049   66.077   30.413 8.306305 45.65415 
1 1 1   -6   20   39 o   70.126   32.850   5.3227   14.977   13.150   22.701  -0.7105   19.930   78.670   37.853   69.339   33.848 9.330330 50.77917 
1 1 1   -6   20   40 f   46.530   22.699  -8.6507   8.9218   8.2504   12.959 -23.8791   12.301   70.433   32.113   45.317   22.825 25.11540 39.39819 
1 1 1   -6   20   41 o   67.659   28.683   8.4291   8.7165   14.424   12.010   1.7553   12.671   76.983   33.174   61.848   29.348 15.13475 44.29203 
1 1 1   -6   20   42 o   79.441   28.870   13.781   7.6815   1.8667   10.687   26.515   11.049   58.234   27.427  100.542   34.810 -42.30782 44.31666 
1 1 1   -6   20   43 o   61.018   27.093   6.7048   8.5563   10.686   12.818   3.5048   11.492   66.531   30.907   58.809   27.918 7.721928 41.64930 
1 1 1   -6   21    1 o  206.033   20.490   56.102   10.790   48.281   15.794   62.949   14.777  187.724   33.719  216.894   26.877 -29.16983 43.12013 
1 1 1   -6   21    2 o  224.660   19.416   66.485   11.188   72.475   16.817   61.730   14.984  232.486   28.525  214.549   27.602 17.93681 39.69293 
1 1 1   -6   21    3 o  112.746   32.819   17.286   10.165   16.883   15.354   17.602   13.563  117.246   41.011  116.565   38.582 0.6802979 56.30684 
1 1 1   -6   21    4 o  356.028   14.239  165.058   13.131  164.489   19.080  165.570   18.100  353.714   20.917  355.164   19.752 -1.449707 28.76950 
1 1 1   -6   21    5 o  265.373   20.090   92.724   13.707   76.956   17.480  117.900   22.088  239.466   28.756  296.973   29.087 -57.50694 40.90186 
1 1 1   -6   21    6 f  152.082   32.374   31.935   12.362   27.491   16.359   37.850   18.874  140.924   41.806  163.706   43.694 -22.78136 60.47226 
1 1 1   -6   21    7 o  305.185   15.871  121.832   12.503  124.061   18.652  120.014   16.849  306.131   23.706  301.598   21.713 4.533661 32.14687 
1 1 1   -6   21    8 o  351.117   14.569  160.697   13.251  157.778   19.405  163.248   18.137  345.901   21.769  352.366   19.953 -6.465546 29.53010 
1 1 1   -6   21    9 o  367.132   16.217  176.021   15.422  188.100   27.456  170.454   18.641  375.322   28.453  359.952   20.073 15.36984 34.82098 
1 1 1   -6   21   10 o  323.159   22.036  138.050   18.336  132.900   27.636  142.100   24.506  312.418   34.738  325.367   29.395 -12.94821 45.50552 
1 1 1   -6   21   11 o  642.502   23.484  545.100   39.084   0.0000   0.0000  545.100   39.084  ?   ?   642.502   23.484 0.000000 23.48437 
1 1 1   -6   21   12 o  650.952   13.864  552.810   23.378  511.000   42.195  571.328   28.081  620.060   26.271  660.808   16.406 -40.74731 30.97269 
1 1 1   -6   21   13 o  247.986   16.068   80.817   10.266  122.900   24.149   71.534   11.342  300.560   31.486  232.561   18.993 67.99898 36.77086 
1 1 1   -6   21   14 o  293.268   14.171  112.390   10.765  113.800   28.976  112.164   11.595  283.979   40.542  292.356   15.365 -8.376862 43.35630 
1 1 1   -6   21   15 o  460.246   15.107  277.425   18.011  235.600   30.404  300.036   22.355  417.534   28.279  477.493   18.074 -59.95877 33.56136 
1 1 1   -6   21   16 o  252.821   26.829   86.879   17.302   81.780   29.296   89.610   21.440  232.484   50.123  253.618   33.452 -21.13358 60.26081 
1 1 1   -6   21   17 o  177.042   21.745   42.339   9.7626   59.560   27.527   39.861   10.441  194.540   53.128  170.857   24.275 23.68294 58.41069 
1 1 1   -6   21   18 o  346.316   14.976  157.746   13.434  125.200   26.660  168.823   15.553  296.783   35.377  357.566   16.793 -60.78333 39.15992 
1 1 1   -6   21   19 o  219.557   26.202   66.524   14.607   66.900   28.486   66.389   17.014  202.023   53.564  216.650   31.220 -14.62762 61.99829 
1 1 1   -6   21   20 o  114.036   39.449   18.471   14.189   35.730   26.829   11.770   16.718  149.261   53.999  104.164   41.409 45.09740 68.04809 
1 1 1   -6   21   21 o  170.336   25.290   40.568   10.820   73.370   27.891   34.757   11.739  209.253   51.746  155.015   30.321 54.23848 59.97531 
1 1 1   -6   21   22 o  229.394   18.334   70.952   10.803   38.290   28.007   76.661   11.709  149.088   54.982  238.076   19.149 -88.98866 58.22108 
1 1 1   -6   21   23 o   54.922   24.940  -3.4552   7.7162   5.9910   24.729  -4.4742   8.1217  105.630   46.520   54.996   25.206 50.63383 52.90987 
1 1 1   -6   21   24 o  165.978   25.203   39.140   10.495  115.000   26.646   25.212   11.418  272.238   38.892  128.286   33.863 143.9512 51.56856 
1 1 1   -6   21   25 o  114.940   28.866   19.731   8.5823   7.7000   25.802   21.228   9.1005  105.842   47.019  118.908   29.648 -13.06582 55.58592 
1 1 1   -6   21   26 o   65.583   28.714   0.2151   9.3003   0.0000   0.0000   0.2151   9.3003  ?   ?    65.583   28.714 0.000000 28.71437 
1 1 1   -6   21   27 o   84.297   30.073   10.058   8.2900   7.7890   25.225   10.333   8.7775  101.522   45.690   85.516   30.894 16.00545 55.15463 
1 1 1   -6   21   28 o   90.242   37.891   9.4664   14.979   9.6400   24.234   9.3590   19.054  100.062   44.930   94.773   41.307 5.289040 61.03278 
1 1 1   -6   21   29 o   93.811   30.550   13.925   8.5167   15.610   19.202   13.512   9.5025  100.811   42.645   92.530   32.269 8.281364 53.47789 
1 1 1   -6   21   30 f   96.798   32.614   15.502   9.6854   0.0000   0.0000   15.502   9.6854  ?   ?    96.798   32.614 0.000000 32.61401 
1 1 1   -6   21   31 o  127.557   23.633   24.525   7.5210   31.210   11.678   19.788   9.8313  134.951   33.551  107.529   32.525 27.42122 46.72850 
1 1 1   -6   21   32 o  105.614   27.502   18.036   7.5978   10.462   11.548   23.817   10.089   83.679   34.014  117.475   32.198 -33.79640 46.83596 
1 1 1   -6   21   33 o  115.084   24.931   20.818   7.2172   20.636   9.7367   21.040   10.752  107.819   32.313  106.881   34.283 0.9373779 47.11097 
1 1 1   -6   21   34 o  182.678   27.064   53.899   12.419   0.0000   0.0000   53.899   12.419  ?   ?   182.678   27.064 0.000000 27.06414 
1 1 1   -6   21   35 o   50.746   23.019  -0.9579   6.5515   1.8399   8.2808  -5.6399   10.712   60.340   26.729   56.575   26.886 3.764561 37.91148 
1 1 1   -6   21   36 o   71.550   29.164   8.0362   8.5192   22.979   12.884  -3.5713   11.356  100.477   37.245   59.075   27.960 41.40125 46.57165 
1 1 1   -6   21   37 o  134.904   31.875   34.927   10.962   40.790   15.519   29.090   15.486  126.575   41.240  103.313   40.220 23.26219 57.60537 
1 1 1   -6   21   38 o   65.285   31.244   0.1635   15.006   11.760   23.084  -8.3240   19.748   77.221   37.404   64.729   32.006 12.49216 49.22838 
1 1 1   -6   21   39 o   93.809   30.894   18.632   8.7005   17.578   12.135   19.746   12.481   83.716   34.542   87.075   35.373 -3.358734 49.44128 
1 1 1   -6   21   40 o   63.983   27.385   6.7872   8.0816   9.5465   10.439   2.6601   12.767   69.491   30.424   62.489   29.596 7.001904 42.44413 
1 1 1   -6   21   41 o  161.076   24.883   46.771   10.047   61.572   14.763   33.999   13.714  160.859   36.293  104.263   38.469 56.59547 52.88712 
1 1 1   -6   21   42 o   50.821   23.821   0.2852   7.8966  -5.6776   12.474   4.2723   10.201   52.504   25.862   58.552   27.324 -6.047325 37.62216 
1 1 1   -6   22    1 o  181.386   22.991   43.975   10.560   40.377   16.151   46.661   13.955  169.723   37.716  184.987   30.163 -15.26480 48.29437 
1 1 1   -6   22    2 o  117.051   31.719   18.923   9.8568   13.658   15.071   22.859   13.030  109.773   40.355  128.479   37.088 -18.70599 54.80916 
1 1 1   -6   22    3 o  575.781   17.156  433.444   25.587  433.444   25.587   0.0000   0.0000  575.781   17.156  ?   ?  0.000000 17.15570 
1 1 1   -6   22    4 o  417.683   15.047  227.630   16.279  229.366   20.823  224.900   26.108  418.301   19.218  411.956   24.579 6.344482 31.19997 
1 1 1   -6   22    5 o  297.887   21.878  117.372   16.763   96.990   24.505  135.300   22.982  265.601   36.589  317.838   28.208 -52.23776 46.20032 
1 1 1   -6   22    6 o  474.212   25.482  298.600   31.187  298.600   31.187   0.0000   0.0000  474.212   25.482  ?   ?  0.000000 25.48238 
1 1 1   -6   22    7 o  270.804   23.094   97.459   16.045   93.600   23.953  100.600   21.609  260.512   36.499  272.395   31.187 -11.88364 48.00825 
1 1 1   -6   22    8 o  606.269   14.201  479.650   22.302  452.900   27.975  526.300   36.943  587.633   18.379  631.451   22.586 -43.81781 29.11893 
1 1 1   -6   22    9 o  294.145   17.905  113.879   13.577  126.491   17.513   94.880   21.495  308.827   22.038  263.636   32.142 45.19104 38.97141 
1 1 1   -6   22   10 o  441.825   13.373  254.716   15.304  271.136   23.036  241.743   20.476  453.916   19.593  428.998   18.427 24.91797 26.89634 
1 1 1   -6   22   11 f  435.251   13.797  247.445   15.555  250.942   23.409  244.680   20.815  436.011   20.727  431.318   18.631 4.693146 27.86929 
1 1 1   -6   22   12 o  302.394   16.436  120.309   12.826  113.679   18.547  126.385   17.756  291.014   24.842  307.930   22.415 -16.91544 33.45992 
1 1 1   -6   22   13 o  598.306   13.937  468.333   21.600  412.500   39.156  492.753   25.896  553.668   27.302  612.564   16.320 -58.89587 31.80845 
1 1 1   -6   22   14 f  584.787   14.640  448.365   22.176  410.100   37.202  469.458   27.620  552.078   26.015  596.607   17.873 -44.52911 31.56246 
1 1 1   -6   22   15 o  164.691   26.350   37.459   10.862   48.670   26.777   35.251   11.883  175.530   53.800  158.246   30.091 17.28452 61.64273 
1 1 1   -6   22   16 f  449.803   12.090  264.749   14.086  219.600   29.938  277.586   15.964  399.062   29.164  460.043   13.396 -60.98032 32.09382 
1 1 1   -6   22   17 o  117.371   29.570   19.762   8.9858 -16.6800   26.408   24.534   9.5561   93.158   43.633  131.136   28.910 -37.97848 52.34153 
1 1 1   -6   22   18 o   68.405   28.380   2.4913   8.2567   9.9250   26.387   1.6845   8.6933  115.456   49.452   68.177   28.759 47.27911 57.20616 
1 1 1   -6   22   19 o   82.851   31.002   8.0605   8.9683   57.590   23.718  -0.2026   9.6875  187.398   48.490   67.723   29.487 119.6748 56.75176 
1 1 1   -6   22   20 o  117.989   35.511   20.941   11.741   19.020   21.608   21.746   13.985  119.010   47.151  119.746   39.155 -0.7363968 61.28916 
1 1 1   -6   22   21 o  208.430   27.577   61.864   14.523   69.230   24.907   58.070   17.877  203.234   48.066  195.411   36.664 7.823395 60.45322 
1 1 1   -6   22   22 o  306.022   22.870  129.639   17.997  124.400   27.842  133.400   23.588  283.488   38.943  303.147   30.451 -19.65936 49.43550 
1 1 1   -6   22   23 o  136.633   27.215   27.269   9.2936   29.250   24.723   26.943   10.029  130.781   50.845  134.482   29.593 -3.700439 58.83039 
1 1 1   -6   22   24 o   61.567   26.696   0.4502   7.8752 -20.2800   24.622   2.8126   8.3118   81.998   39.446   67.582   28.293 14.41573 48.54335 
1 1 1   -6   22   25 o  103.596   32.979   16.701   9.9642   0.0000   0.0000   16.701   9.9642  ?   ?   103.596   32.979 0.000000 32.97916 
1 1 1   -6   22   26 o   67.570   27.762   3.8890   7.7980 -21.8600   21.991   7.5925   8.3399   74.350   36.128   77.492   29.690 -3.141777 46.76224 
1 1 1   -6   22   27 o  110.224   35.142   20.347   11.311   46.300   20.218   8.5242   13.646  153.113   46.716   86.400   36.216 66.71289 59.11024 
1 1 1   -6   22   28 o   83.239   31.287   10.131   9.1540  -1.0290   21.918   12.490   10.075   85.559   39.969   89.556   32.984 -3.996895 51.82177 
1 1 1   -6   22   29 o   98.974   30.258   16.086   8.4763   16.350   24.512   16.050   9.0336  100.679   45.198   98.268   31.414 2.410248 55.04273 
1 1 1   -6   22   30 o  120.479   31.432   24.534   9.9122   45.030   25.205   20.784   10.781  130.243   51.139  108.065   34.294 22.17804 61.57300 
1 1 1   -6   22   31 f  158.760   24.815   38.810   9.8707   35.000   20.320   39.987   11.293  120.319   46.285  157.016   28.827 -36.69730 54.52850 
1 1 1   -6   22   32 o   41.103   19.852  -7.8559   6.3877   5.7166   8.2538 -28.1248   10.087   69.007   28.482   39.984   20.203 29.02347 34.91958 
1 1 1   -6   22   33 o  141.810   23.918   31.465   8.4732   33.587   12.430   29.622   11.581  132.385   35.512  125.013   34.593 7.372154 49.57599 
1 1 1   -6   22   34 o   95.556   27.248   15.724   7.0738   21.237   9.1271   7.4295   11.194  107.323   31.057   73.764   31.907 33.55863 44.52642 
1 1 1   -6   22   35 o   65.327   27.801   5.3351   8.2435   4.3599   12.142   6.1690   11.228   68.875   31.279   70.305   31.134 -1.429398 44.13314 
1 1 1   -6   22   36 o   99.465   31.365   19.877   9.0294   51.620   13.469  -6.0359   12.169  162.486   33.124   57.044   27.514 105.4419 43.06101 
1 1 1   -6   22   37 f   53.428   25.872  -6.5850   11.027 -11.1854   12.969   5.4210   20.951   53.794   26.472   72.239   35.139 -18.44532 43.99471 
1 1 1   -6   22   38 o   45.821   22.476  -9.6716   9.1117   15.740   20.516 -15.9158   10.170   76.426   36.565   44.191   22.037 32.23520 42.69202 
1 1 1   -6   22   39 o   59.949   27.162   4.0766   9.0896  -7.3479   13.288   14.123   12.461   54.927   26.983   75.145   33.061 -20.21820 42.67418 
1 1 1   -6   22   40 o   59.542   26.801   4.9240   8.6834  -1.5603   11.665   12.983   13.004   55.724   26.893   71.121   32.327 -15.39703 42.05079 
1 1 1   -6   22   41 o   70.787   28.779   11.918   8.2690   13.279   11.040   10.180   12.480   70.126   30.973   65.552   30.468 4.573700 43.44660 
1 1 1   -6   23    1 o  319.076   20.041  134.454   16.480  134.900   24.767  134.100   22.076  315.589   30.685  316.107   27.227 -0.5184021 41.02231 
1 1 1   -6   23    2 o   86.222   35.625   3.7618   12.933   20.100   20.442  -7.1440   16.701  128.272   47.023   81.904   36.990 46.36776 59.82788 
1 1 1   -6   23    3 o  280.566   19.011  103.892   13.734   92.435   17.876  120.400   21.457  262.163   26.697  298.997   28.032 -36.83411 38.71066 
1 1 1   -6   23    4 o  294.660   17.693  114.299   13.442  111.350   16.948  119.300   22.070  289.279   22.803  297.093   29.051 -7.813446 36.93132 
1 1 1   -6   23    5 o  623.162   12.151  506.099   19.614  502.552   27.324  509.868   28.172  619.116   17.038  623.422   17.446 -4.306519 24.38527 
1 1 1   -6   23    6 o  664.802   12.061  576.063   20.769  605.937   30.517  550.288   28.346  679.526   17.337  647.785   16.893 31.74182 24.20672 
1 1 1   -6   23    7 f  251.020   18.806   83.368   12.139   87.616   18.304   80.033   16.219  254.096   28.290  243.556   26.115 10.53957 38.50077 
1 1 1   -6   23    8 o  473.251   12.899  292.380   15.813  287.796   23.058  296.450   21.727  467.352   19.047  474.895   17.662 -7.542877 25.97604 
1 1 1   -6   23    9 o  423.435   13.195  234.262   14.473  221.219   20.462  247.321   20.474  409.450   19.293  433.358   18.240 -23.90781 26.54964 
1 1 1   -6   23   10 o  266.531   17.660   93.940   12.123   81.877   18.391  103.210   16.122  244.169   29.690  277.648   22.613 -33.47981 37.32078 
1 1 1   -6   23   11 o  212.198   22.505   60.632   12.181   48.031   18.702   69.916   16.053  180.992   40.860  225.774   28.055 -44.78136 49.56423 
1 1 1   -6   23   12 o  421.531   15.904  233.792   17.365  243.500   31.136  229.408   20.921  422.024   28.652  415.967   19.417 6.056854 34.61164 
1 1 1   -6   23   13 f  273.283   27.372  102.534   19.116   63.500   28.321  135.200   25.908  198.799   53.721  310.579   32.695 -111.7799 62.88816 
1 1 1   -6   23   14 o  323.347   13.339  137.221   11.172   96.300   26.679  145.922   12.303  254.307   41.965  333.129   14.257 -78.82132 44.32096 
1 1 1   -6   23   15 o  276.699   15.885  101.526   11.338   93.620   27.935  103.085   12.406  246.561   45.413  278.225   17.299 -31.66412 48.59600 
1 1 1   -6   23   16 o  240.411   15.752   76.830   9.7553   76.160   28.171   76.922   10.399  215.158   51.275  240.123   16.825 -24.96512 53.96459 
1 1 1   -6   23   17 o   77.976   30.299   6.2671   8.7752   3.6880   21.207   6.8000   9.6391   99.539   43.476   81.177   31.696 18.36208 53.80328 
1 1 1   -6   23   18 o   70.335   28.415   3.9732   8.0050   22.470   25.523   1.9553   8.4303  126.335   50.843   67.307   28.353 59.02783 58.21413 
1 1 1   -6   23   19 o  186.707   20.403   47.784   9.7068   72.300   28.065   44.453   10.345  202.000   52.981  178.777   22.864 23.22337 57.70387 
1 1 1   -6   23   20 o   88.632   28.632   11.186   7.4897 -11.5300   25.789   13.278   7.8270   91.476   42.932   95.411   29.057 -3.935829 51.84081 
1 1 1   -6   23   21 o   61.645   27.267  -1.0450   8.5863  -2.9300   23.781  -0.7624   9.2073   93.956   43.087   64.174   28.318 29.78215 51.55998 
1 1 1   -6   23   22 o  273.515   20.310  103.152   14.286   79.480   25.495  113.988   17.249  213.270   47.382  284.618   23.610 -71.34840 52.93842 
1 1 1   -6   23   23 o  204.117   42.589   70.570   21.790   0.0000   0.0000   70.570   21.790  ?   ?   204.117   42.589 0.000000 42.58931 
1 1 1   -6   23   24 o  125.097   28.315   23.798   8.9613   47.860   23.869   19.850   9.6685  153.316   51.201  112.131   31.815 41.18571 60.28033 
1 1 1   -6   23   25 o   91.736   29.507   12.959   7.9609   7.7130   22.560   13.706   8.5082   96.282   43.282   93.885   30.533 2.397423 52.96784 
1 1 1   -6   23   26 o   82.717   32.749   9.1751   10.417   54.980   24.369  -1.0653   11.522  156.789   51.707   67.792   30.660 88.99706 60.11342 
1 1 1   -6   23   27 o   85.489   31.313   11.280   9.0618   24.720   24.573   9.1648   9.7489  109.966   47.420   80.998   31.804 28.96816 57.09776 
1 1 1   -6   23   28 o   97.517   30.927   15.921   8.7690   20.330   24.401   15.267   9.3967  102.851   45.706   95.094   32.124 7.757118 55.86544 
1 1 1   -6   23   29 o   80.012   30.008   9.9072   8.4117 -42.5600   21.698   19.187   9.1253   60.500   30.452  105.722   31.188 -45.22206 43.58862 
1 1 1   -6   23   30 f   84.868   28.751   11.903   7.5272   56.400   17.907   2.3543   8.2956  167.475   41.492   62.698   27.293 104.7776 49.66429 
1 1 1   -6   23   31 o  154.333   23.497   36.753   9.0967   27.050   23.450   38.472   9.8696  102.442   45.199  156.062   25.279 -53.61971 51.78796 
1 1 1   -6   23   32 o   90.509   29.358   14.476   7.8682 -12.5500   22.707   18.164   8.3879   71.409   35.119  100.890   29.936 -29.48152 46.14652 
1 1 1   -6   23   33 o   70.859   29.808   7.1512   9.2970 -12.9000   17.661   14.838   10.935   63.433   31.151   86.682   33.783 -23.24889 45.95256 
1 1 1   -6   23   34 f   76.213   31.476   10.486   10.090   15.960   22.420   9.0963   11.298   83.597   39.480   74.189   32.073 9.407578 50.86559 
1 1 1   -6   23   35 o   74.479   30.079   10.429   8.9670   24.510   14.302   1.3097   11.510   95.466   38.187   62.504   29.121 32.96112 48.02307 
1 1 1   -6   23   36 o   48.307   24.086 -17.0840   12.136 -17.0840   12.136   0.0000   0.0000   48.307   24.086  ?   ?  0.000000 24.08632 
1 1 1   -6   23   37 o   64.408   28.568   6.3828   9.4885   1.0290   22.866   7.4963   10.429   67.923   33.734   66.642   29.730 1.281891 44.96515 
1 1 1   -6   23   38 o   74.598   29.735   12.387   8.6420   24.297   13.147   3.3250   11.467   89.199   36.279   60.944   28.611 28.25468 46.20306 
1 1 1   -6   23   39 o   72.588   29.192   12.119   8.4074   12.691   11.366   11.429   12.494   70.843   31.351   68.706   31.405 2.137321 44.37548 
1 1 1   -6   23   40 o   65.901   28.723   10.144   9.2117   15.042   13.190   5.4802   12.870   69.997   32.096   60.547   28.966 9.450298 43.23422 
1 1 1   -6   23   41 o   51.783   25.320  -1.5410   11.291 -28.7700   22.246   7.9072   13.104   51.131   26.201   60.256   28.932 -9.125790 39.03332 
1 1 1   -6   24    1 o  241.788   18.396   77.448   11.435   70.490   16.835   83.407   15.580  226.719   29.356  248.893   24.483 -22.17354 38.22594 
1 1 1   -6   24    2 o  341.343   16.788  153.100   14.844  137.185   18.874  178.900   24.031  320.400   22.893  364.734   25.598 -44.33405 34.34179 
1 1 1   -6   24    3 f  480.191   14.595  301.976   18.154  295.424   22.962  312.900   29.650  473.265   18.730  484.483   23.626 -11.21725 30.15012 
1 1 1   -6   24    4 o  281.974   17.010  104.936   12.366  106.743   18.098  103.354   16.936  281.367   25.095  277.378   23.803 3.989716 34.58765 
1 1 1   -6   24    5 o  323.460   15.021  137.195   12.586  133.478   18.204  140.599   17.421  315.960   22.387  325.005   20.802 -9.044678 30.55971 
1 1 1   -6   24    6 f  439.680   13.220  252.882   15.056  253.369   21.824  252.440   20.799  437.680   19.250  437.287   18.362 0.3937073 26.60328 
1 1 1   -6   24    7 o  637.048   12.328  530.383   20.342  494.214   28.912  565.843   28.627  611.675   18.248  655.437   16.862 -43.76184 24.84534 
1 1 1   -6   24    8 o  388.019   14.156  197.462   14.228  202.053   21.842  194.078   18.753  388.646   21.784  382.809   18.912 5.836426 28.84836 
1 1 1   -6   24    9 o  229.887   20.683   70.920   12.185   77.176   17.573   65.129   16.909  235.884   29.399  215.557   31.191 20.32655 42.86187 
1 1 1   -6   24   10 o  137.125   43.971   28.013   17.689   27.390   26.558   28.510   23.715  139.969   53.135  140.006   50.750 -0.3709412E-01 73.47707 
1 1 1   -6   24   11 o  280.320   26.086  107.850   18.724  101.500   27.162  113.600   25.847  261.211   41.535  280.612   36.418 -19.40042 55.23943 
1 1 1   -6   24   12 o  282.735   18.000  106.693   13.114  100.567   19.806  111.475   17.500  268.298   28.959  285.894   23.848 -17.59573 37.51452 
1 1 1   -6   24   13 o  321.565   16.798  137.638   13.943  124.095   20.322  149.685   19.166  299.367   26.479  331.942   22.422 -32.57443 34.69711 
1 1 1   -6   24   14 o  285.423   20.687  110.356   15.191   91.140   28.824  117.746   17.875  237.431   48.505  292.849   23.769 -55.41788 54.01598 
1 1 1   -6   24   15 o  247.463   16.573   81.905   10.562   67.880   24.172   85.215   11.742  204.183   46.715  251.659   18.135 -47.47633 50.11111 
1 1 1   -6   24   16 o  105.726   30.335   16.447   8.7411   12.400   26.738   16.931   9.2493  114.889   49.504  107.045   31.348 7.843262 58.59472 
1 1 1   -6   24   17 o  108.005   30.485   17.330   8.9011   15.700   26.724   17.533   9.4402  117.231   49.977  108.374   31.650 8.857254 59.15630 
1 1 1   -6   24   18 o  104.589   28.831   16.200   8.0624   5.4920   22.024   17.857   8.6638   99.870   43.945  109.417   29.774 -9.547287 53.08154 
1 1 1   -6   24   19 o  230.592   17.128   71.973   10.158   44.550   25.092   77.348   11.109  153.628   52.490  238.486   18.118 -84.85797 55.52941 
1 1 1   -6   24   20 o  170.484   20.985   40.557   9.0717   53.150   26.783   38.925   9.6416  163.482   54.222  165.769   23.080 -2.287323 58.92952 
1 1 1   -6   24   21 o  221.133   17.867   66.928   10.147   37.950   28.314   71.198   10.869  137.031   54.074  227.615   18.597 -90.58319 57.18273 
1 1 1   -6   24   22 o  116.682   33.870   21.926   10.840   0.0000   0.0000   21.926   10.840  ?   ?   116.682   33.870 0.000000 33.87006 
1 1 1   -6   24   23 o   97.944   39.986   13.816   16.047   9.8860   24.450   16.790   21.270  100.338   45.086  105.427   44.756 -5.089096 63.52854 
1 1 1   -6   24   24 o  153.109   40.862   42.557   16.508   27.480   24.783   54.580   22.132  116.487   48.817  162.633   48.712 -46.14613 68.96358 
1 1 1   -6   24   25 o  100.490   39.269   17.541   14.805   41.840   24.133   2.8750   18.748  132.818   50.596   84.259   38.497 48.55937 63.57648 
1 1 1   -6   24   26 o   83.036   30.377   10.694   8.5247   29.800   23.466   7.7898   9.1498  113.896   47.598   76.573   30.573 37.32304 56.57136 
1 1 1   -6   24   27 o   43.355   21.199 -11.9400   7.9133 -12.5900   21.164 -11.8343   8.5322   73.363   35.601   45.677   22.264 27.68575 41.98934 
1 1 1   -6   24   28 o  154.226   22.019   35.634   8.5469   55.330   19.860   31.157   9.4685  157.361   45.893  139.282   27.220 18.07922 53.35829 
1 1 1   -6   24   29 o  111.858   29.712   21.497   8.7544 -12.1500   21.510   28.178   9.5840   71.964   35.137  129.292   29.295 -57.32810 45.74752 
1 1 1   -6   24   30 o  178.393   20.892   47.746   9.4714   52.820   24.537   46.857   10.267  129.480   50.566  173.845   23.394 -44.36560 55.71497 
1 1 1   -6   24   31 o   51.263   23.978  -3.4630   7.9297   14.550   22.452  -6.0301   8.4759   86.859   40.535   49.871   23.761 36.98841 46.98606 
1 1 1   -6   24   32 o   43.126   21.021  -9.4309   7.6075 -26.1600   15.593  -4.2047   8.7152   52.742   26.447   52.032   24.585 0.7106171 36.10911 
1 1 1   -6   24   33 o  136.396   26.670   32.190   9.0849   38.820   23.663   31.044   9.8389  100.081   44.705  129.315   29.960 -29.23425 53.81604 
1 1 1   -6   24   34 f   69.378   28.786   8.3771   8.4952   0.0000   0.0000   8.3771   8.4952  ?   ?    69.378   28.786 0.000000 28.78584 
1 1 1   -6   24   35 o   47.116   23.523 -17.0362   11.730  -9.5510   20.557 -20.6500   14.284   62.830   31.331   50.203   25.192 12.62714 40.20318 
1 1 1   -6   24   36 o   56.809   27.844  -5.6619   13.895  -0.5611   23.094  -8.5560   17.396   66.310   33.089   59.069   29.352 7.240219 44.23115 
1 1 1   -6   24   37 o   43.673   21.053  -4.9132   7.1010  -4.5976   10.522  -5.1771   9.6228   51.647   25.072   49.474   24.007 2.173424 34.71228 
1 1 1   -6   24   38 o   64.547   27.574   8.5445   8.1655  -0.9262   12.312   15.982   10.910   55.986   27.165   75.551   32.063 -19.56566 42.02292 
1 1 1   -6   24   39 o   98.151   31.610   24.367   9.1338   28.107   13.046   20.772   12.792   87.609   35.942   76.781   33.645 10.82758 49.23255 
1 1 1   -6   24   40 o   42.549   20.922  -6.3246   8.0496 -13.2902   10.549   3.3834   12.454   42.987   21.582   55.890   27.165 -12.90314 34.69449 
1 1 1   -6   25    1 o  485.787   14.753  310.195   18.564  283.975   23.153  357.400   31.065  462.375   19.331  515.854   23.249 -53.47940 30.23560 
1 1 1   -6   25    2 f  243.523   20.759   79.610   12.969   61.077   16.583  108.800   20.812  208.152   31.763  280.532   29.062 -72.37967 43.05180 
1 1 1   -6   25    3 o  281.322   19.064  105.558   13.810  135.294   18.198   65.170   21.208  317.015   22.303  210.021   40.452 106.9943 46.19243 
1 1 1   -6   25    4 o  391.243   13.993  201.039   14.181  198.266   21.039  203.349   19.198  384.567   21.202  391.230   18.944 -6.662323 28.43257 
1 1 1   -6   25    5 o  242.920   19.106   78.933   11.925   78.355   18.300   79.360   15.722  236.362   30.609  240.603   25.621 -4.240601 39.91621 
1 1 1   -6   25    6 o  335.254   14.731  147.995   12.792  156.770   19.307  141.128   17.079  341.018   21.974  324.361   20.432 16.65723 30.00509 
1 1 1   -6   25    7 o  187.482   28.526   49.356   13.416   66.540   26.153   43.219   15.629  203.786   49.936  171.244   36.359 32.54256 61.77003 
1 1 1   -6   25    8 o  304.548   25.661  127.524   20.054  120.700   29.619  133.300   27.251  283.654   41.542  303.884   35.276 -20.22995 54.49935 
1 1 1   -6   25    9 o  249.890   22.839   85.209   14.620   78.283   17.812   99.510   25.596  235.287   29.901  258.135   39.539 -22.84810 49.57194 
1 1 1   -6   25   10 o  209.066   21.675   59.650   11.567   71.019   19.215   53.188   14.486  220.138   34.858  192.975   29.951 27.16287 45.95857 
1 1 1   -6   25   11 o  139.901   32.868   29.014   11.709   16.832   17.010   39.984   16.142  111.943   42.517  161.107   39.080 -49.16364 57.74867 
1 1 1   -6   25   12 o  307.374   17.374  126.642   13.776  113.041   20.060  138.783   18.953  283.105   27.710  317.707   23.190 -34.60181 36.13333 
1 1 1   -6   25   13 o  286.885   16.938  110.397   12.531  110.759   18.610  110.098   16.949  281.083   25.850  282.159   23.402 -1.076508 34.86953 
1 1 1   -6   25   14 o  254.485   19.280   88.052   12.615   63.553   17.112  117.213   18.670  206.762   33.065  289.173   25.176 -82.41109 41.55873 
1 1 1   -6   25   15 o  188.182   18.106   48.157   8.7169   73.050   25.014   44.717   9.2998  206.884   47.659  180.202   20.275 26.68175 51.79283 
1 1 1   -6   25   16 o   74.840   29.306   5.9694   8.2583   2.9060   23.550   6.3989   8.8183   98.725   44.313   77.093   30.255 21.63130 53.65651 
1 1 1   -6   25   17 o   65.755   27.917   1.9095   8.2765   45.650   26.674  -2.7501   8.7062  152.529   53.995   59.131   26.706 93.39822 60.23841 
1 1 1   -6   25   18 o  242.433   16.551   79.633   10.331   99.240   28.597   76.690   11.080  236.413   48.329  236.808   18.202 -0.3948517 51.64347 
1 1 1   -6   25   19 o   95.629   29.039   13.831   7.8256   58.990   24.318   8.6144   8.2652  174.513   50.751   80.537   29.835 93.97526 58.87100 
1 1 1   -6   25   20 o  155.112   23.554   34.764   9.1661   0.0000   0.0000   34.764   9.1661  ?   ?   155.112   23.554 0.000000 23.55398 
1 1 1   -6   25   21 o   82.703   30.858   9.5691   8.8726   11.330   24.896   9.3129   9.4961  101.782   45.632   82.807   31.692 18.97412 55.55764 
1 1 1   -6   25   22 o   75.277   28.721   7.4677   7.7839   20.170   23.290   5.8704   8.2588  107.858   46.335   72.207   28.970 35.65025 54.64614 
1 1 1   -6   25   23 o  198.434   26.073   59.575   13.077   42.120   24.105   66.855   15.567  133.270   50.614  205.666   30.113 -72.39629 58.89465 
1 1 1   -6   25   24 o  103.260   39.703   19.990   14.947   41.730   22.151   1.8170   20.253  132.403   48.884   83.682   38.867 48.72102 62.45226 
1 1 1   -6   25   25 o   95.566   34.311   16.131   10.807   20.780   19.292   14.004   13.047  101.543   42.838   90.870   36.428 10.67319 56.23285 
1 1 1   -6   25   26 o   66.250   30.252  -0.2088   11.555   10.320   15.889 -12.0300   16.836   85.401   37.458   65.904   31.927 19.49739 49.21812 
1 1 1   -6   25   27 o   59.368   27.003  -0.6987   9.0944   17.060   20.207  -5.2094   10.184   93.297   41.520   56.634   26.704 36.66287 49.36597 
1 1 1   -6   25   28 o   93.954   30.976   15.908   8.7458   14.270   22.864   16.189   9.4657   89.358   41.431   93.698   32.233 -4.340355 52.49255 
1 1 1   -6   25   29 o   63.582   27.530   3.6630   8.3499  -1.0990   23.388   4.3587   8.9390   77.371   37.518   65.900   28.509 11.47134 47.12036 
1 1 1   -6   25   30 o  107.366   28.539   20.478   8.0732   7.7370   22.158   22.429   8.6690   80.125   38.242  111.384   29.557 -31.25955 48.33287 
1 1 1   -6   25   31 o   82.551   29.648   12.876   8.0698   26.090   16.821   8.9261   9.1973   96.834   40.369   72.759   30.051 24.07491 50.32599 
1 1 1   -6   25   32 o   66.721   28.189   6.8398   8.3733   22.680   22.704   4.3461   9.0083   84.932   39.993   62.942   27.880 21.98956 48.75225 
1 1 1   -6   25   33 o   48.722   23.226  -4.0907   8.1218   0.0000   0.0000  -4.0907   8.1218  ?   ?    48.722   23.226 0.000000 23.22594 
1 1 1   -6   25   34 o   56.747   26.400   1.1239   9.4050 -16.1200   16.440   9.5132   11.467   54.881   27.466   69.510   31.080 -14.62918 41.47695 
1 1 1   -6   25   35 o   58.039   28.070  -1.1723   12.876   19.810   23.698  -9.9610   15.337   73.952   36.270   55.370   27.521 18.58272 45.52920 
1 1 1   -6   25   36 f   54.529   25.338   1.7624   8.6223   33.370   21.189  -4.5097   9.4391   81.208   38.361   49.206   23.855 32.00174 45.17270 
1 1 1   -6   25   37 o   42.586   20.837  -6.7217   7.6818  -7.6700   23.090  -6.6037   8.1458   59.286   30.027   43.849   21.455 15.43726 36.90408 
1 1 1   -6   25   38 o   61.768   27.847   8.5427   9.4177 -20.6000   22.748   14.571   10.346   53.893   27.528   70.360   30.554 -16.46648 41.12588 
1 1 1   -6   25   39 o   69.572   30.753   16.545   10.905   20.470   22.506   15.341   12.466   63.354   31.768   65.882   30.563 -2.527847 44.08294 
1 1 1   -6   26    1 o  302.679   19.301  123.152   15.054  121.573   19.309  125.600   24.039  296.856   25.354  296.757   31.765 0.9933472E-01 40.64311 
1 1 1   -6   26    2 o  160.472   38.102   39.050   15.601   35.620   24.439   41.410   20.269  147.887   51.739  160.508   46.235 -12.62077 69.38726 
1 1 1   -6   26    3 o  166.224   32.521   40.339   13.501   67.660   25.169   29.302   15.998  204.154   48.341  137.555   41.463 66.59935 63.68726 
1 1 1   -6   26    4 o  320.246   22.911  140.113   18.880  152.600   26.849  127.900   26.553  326.302   32.185  295.654   35.375 30.64734 47.82527 
1 1 1   -6   26    5 o  117.993   41.096   20.523   15.410   11.670   23.572   27.130   20.364  112.215   47.347  132.221   47.138 -20.00612 66.81137 
1 1 1   -6   26    6 o  184.926   29.533   49.069   13.671   41.702   17.826   59.590   21.302  162.454   42.039  193.988   43.470 -31.53369 60.47276 
1 1 1   -6   26    7 o  297.013   17.018  118.090   13.038  129.677   19.000  107.776   17.926  306.377   24.136  278.444   25.124 27.93289 34.83925 
1 1 1   -6   26    8 o  262.982   19.513   93.757   13.197  113.865   20.304   79.045   17.366  283.525   28.013  235.049   29.149 48.47612 40.42731 
1 1 1   -6   26    9 o  143.926   30.966   30.644   11.202   26.882   16.501   33.860   15.256  129.791   42.536  146.430   39.371 -16.63991 57.96010 
1 1 1   -6   26   10 o  193.919   24.398   52.809   11.984   60.536   18.837   47.555   15.533  197.595   38.184  176.868   35.143 20.72694 51.89489 
1 1 1   -6   26   11 o  226.793   21.476   70.993   12.466   64.030   18.520   76.762   16.857  204.305   36.326  230.432   28.875 -26.12755 46.40420 
1 1 1   -6   26   12 o  160.282   29.662   37.926   11.862   45.448   18.188   32.359   15.647  165.894   42.219  140.611   40.657 25.28336 58.61262 
1 1 1   -6   26   13 o  205.650   23.011   59.335   12.048   67.184   17.227   51.820   16.856  211.456   32.490  181.502   37.105 29.95483 49.31929 
1 1 1   -6   26   14 o  228.883   20.212   72.327   11.860   62.869   19.023   78.342   15.170  198.368   38.409  234.212   25.412 -35.84413 46.05466 
1 1 1   -6   26   15 o   85.388   35.420   7.0112   12.858   5.3640   25.327   7.5831   14.924  101.262   45.658   89.732   37.757 11.52997 59.24728 
1 1 1   -6   26   16 o  158.050   22.293   35.470   8.8731   31.420   21.846   36.270   9.7100  129.948   48.433  158.509   24.434 -28.56096 54.24764 
1 1 1   -6   26   17 o  191.907   19.358   51.209   9.4914   24.780   25.907   55.306   10.201  118.838   49.862  199.003   20.063 -80.16515 53.74661 
1 1 1   -6   26   18 o  146.327   26.057   31.828   9.5142   0.0000   0.0000   31.828   9.5142  ?   ?   146.327   26.057 0.000000 26.05654 
1 1 1   -6   26   19 o  155.265   29.083   37.179   11.267   0.0000   0.0000   37.179   11.267  ?   ?   155.265   29.083 0.000000 29.08319 
1 1 1   -6   26   20 o  104.523   27.919   17.141   7.7021   54.860   25.511   13.358   8.0792  153.328   52.905   92.010   29.739 61.31800 60.69106 
1 1 1   -6   26   21 o   68.804   27.781   5.2461   7.6476   46.730   23.611   0.3841   8.0833  140.404   50.678   60.078   26.521 80.32608 57.19821 
1 1 1   -6   26   22 o  203.591   23.738   61.958   12.283   63.940   24.014   61.255   14.295  165.057   51.009  196.403   28.968 -31.34608 58.66047 
1 1 1   -6   26   23 o   55.874   25.763  -2.9179   8.6612   3.9950   20.792  -4.3694   9.5272   84.307   39.231   56.598   26.411 27.70881 47.29299 
1 1 1   -6   26   24 o  115.430   26.591   21.491   7.7868   25.740   21.232   20.831   8.3700  104.584   44.565  111.606   28.770 -7.022430 53.04498 
1 1 1   -6   26   25 o   62.845   27.077   3.0958   7.9976  -0.6424   20.635   3.7566   8.6758   77.864   37.091   65.510   28.213 12.35355 46.60171 
1 1 1   -6   26   26 o   66.957   30.453   1.5327   11.563   14.860   22.265  -3.3896   13.531   89.450   41.266   65.140   30.735 24.30994 51.45370 
1 1 1   -6   26   27 o   58.457   28.649 -14.0251   14.699 -18.4600   22.634 -10.7900   19.331   67.998   33.736   67.766   33.135 0.2319412 47.28630 
1 1 1   -6   26   28 f   46.522   22.822 -12.3267   9.4022 -27.5800   22.748  -9.1841   10.325   63.415   31.818   51.659   25.021 11.75609 40.47772 
1 1 1   -6   26   29 o   48.932   23.687  -8.3084   9.2212 -23.7200   19.516  -3.8788   10.463   59.654   29.865   56.322   26.709 3.331947 40.06586 
1 1 1   -6   26   30 o   56.327   25.462   1.2109   7.9348   1.9250   16.515   0.9965   9.0475   68.898   32.920   58.288   26.674 10.60992 42.37026 
1 1 1   -6   26   31 o   69.209   28.731   8.4986   8.4692   10.190   22.478   8.2188   9.1429   74.826   36.397   68.869   29.293 5.956520 46.72102 
1 1 1   -6   26   32 o   42.399   20.857  -9.9610   8.0259   0.0000   0.0000  -9.9610   8.0259  ?   ?    42.399   20.857 0.000000 20.85704 
1 1 1   -6   26   33 o   48.972   23.763  -5.7269   9.4253 -20.7100   17.948  -0.0216   11.075   54.053   27.268   57.116   27.198 -3.062462 38.51377 
1 1 1   -6   26   34 o   56.165   26.492   1.3745   10.040   7.3030   23.180   0.0056   11.139   66.687   33.257   56.149   26.884 10.53790 42.76447 
1 1 1   -6   26   35 o   61.150   27.129   6.8508   8.5622   8.2500   23.314   6.6327   9.2054   65.163   32.626   61.034   27.522 4.128365 42.68396 
1 1 1   -6   26   36 o   66.042   28.195   10.385   8.5281   38.000   22.186   5.5976   9.2379   77.261   37.237   58.296   26.778 18.96557 45.86565 
1 1 1   -6   26   37 o   49.701   23.714   0.1618   8.5065   13.750   24.075  -1.7765   9.0930   62.372   31.479   48.622   23.533 13.74966 39.30330 
1 1 1   -6   26   38 o   37.940   18.923  -9.8589   7.5149   28.430   18.595 -17.3331   8.2157   68.081   33.114   35.330   17.895 32.75183 37.64018 
1 1 1   -6   27    1 f   95.070   36.719   11.241   12.828  -0.3266   17.174   25.840   19.294   85.713   38.201  126.889   45.810 -41.17579 59.64780 
1 1 1   -6   27    2 o  233.476   19.090   74.128   11.444   95.143   17.650   58.887   15.031  259.105   26.680  201.294   29.723 57.81117 39.94028 
1 1 1   -6   27    3 o   95.017   34.479   12.359   10.950   16.464   16.906   9.3927   14.372  109.005   42.138   93.821   38.014 15.18355 56.75090 
1 1 1   -6   27    4 o  145.292   30.515   31.348   11.119   21.269   16.274   40.172   15.227  117.277   42.104  160.234   37.373 -42.95686 56.29839 
1 1 1   -6   27    5 o  140.599   29.882   29.315   10.547   0.5554   15.195   56.052   14.652   82.137   36.305  195.776   29.835 -113.6397 46.99096 
1 1 1   -6   27    6 o  327.367   15.944  143.397   13.520  147.716   20.619  140.139   17.907  324.322   24.731  318.590   21.831 5.732574 32.98774 
1 1 1   -6   27    7 o  294.488   17.185  117.110   13.052   93.855   19.150  137.283   17.836  253.491   29.729  314.894   22.005 -61.40341 36.98707 
1 1 1   -6   27    8 o  251.917   19.114   86.754   12.380   47.889   18.627  117.500   16.568  169.424   42.513  290.825   22.160 -121.4010 47.94211 
1 1 1   -6   27    9 o  207.200   23.817   60.676   12.550   45.311   18.885   72.828   16.795  162.811   43.815  222.120   29.955 -59.30843 53.07621 
1 1 1   -6   27   10 o  168.873   27.466   41.730   11.602   28.581   19.020   49.520   14.641  128.340   45.577  180.307   32.545 -51.96693 56.00402 
1 1 1   -6   27   11 o  144.932   30.334   31.834   11.022   37.626   16.628   27.294   14.722  148.686   41.560  127.724   40.015 20.96259 57.69266 
1 1 1   -6   27   12 o  114.229   34.299   20.749   10.963   3.8797   18.731   29.538   13.520   90.432   40.123  133.956   37.487 -43.52399 54.90985 
1 1 1   -6   27   13 o   82.369   32.436   8.2073   10.168   20.739   15.171  -2.0109   13.699  111.974   40.591   73.597   33.345 38.37675 52.53160 
1 1 1   -6   27   14 o  133.177   32.988   28.269   11.321   25.717   18.048   29.924   14.536  119.919   44.150  131.802   39.477 -11.88369 59.22569 
1 1 1   -6   27   15 o   78.494   31.706   6.9115   9.9649   7.2150   14.396   6.6323   13.808   86.239   36.721   84.469   35.965 1.769836 51.39919 
1 1 1   -6   27   16 o  116.522   29.413   21.314   8.8787   0.0000   0.0000   21.314   8.8787  ?   ?   116.522   29.413 0.000000 29.41336 
1 1 1   -6   27   17 o   59.366   26.287  -0.1849   8.0019   0.0000   0.0000  -0.1849   8.0019  ?   ?    59.366   26.287 0.000000 26.28731 
1 1 1   -6   27   18 o  189.258   19.696   50.919   9.5144   56.520   25.480   50.011   10.256  153.670   52.883  185.826   21.717 -32.15584 57.16818 
1 1 1   -6   27   19 o   56.143   25.340  -1.3554   7.8236   21.270   24.118  -4.0162   8.2709  104.901   46.077   53.728   24.914 51.17311 52.38104 
1 1 1   -6   27   20 o  142.576   23.948   30.830   8.5307   20.650   24.639   32.217   9.0931  102.077   45.606  144.737   25.168 -42.66019 52.08953 
1 1 1   -6   27   21 o   71.334   31.538   3.4818   11.474   24.240   24.660  -2.2542   12.963  103.153   45.889   67.033   31.121 36.11977 55.44633 
1 1 1   -6   27   22 o  136.300   29.100   30.950   9.9614   12.800   24.391   34.584   10.913   91.181   42.451  142.803   30.433 -51.62228 52.23250 
1 1 1   -6   27   23 o   54.947   24.634  -0.0813   7.2547 -39.1200   21.717   4.8222   7.6969   60.073   30.266   65.525   27.311 -5.452839 40.76664 
1 1 1   -6   27   24 o   67.126   27.329   5.9370   7.4700   3.2530   21.678   6.2986   7.9573   79.675   37.971   68.634   28.104 11.04100 47.24059 
1 1 1   -6   27   25 o  107.411   30.014   20.806   8.6736 -14.3300   22.510   26.932   9.3994   69.404   34.290  123.453   29.745 -54.04880 45.39367 
1 1 1   -6   27   26 o   45.522   22.048  -8.4906   8.0177 -12.9200   22.736  -7.8615   8.5682   69.137   34.214   47.875   23.091 21.26197 41.27658 
1 1 1   -6   27   27 o   51.805   24.714  -5.3792   9.2322   38.080   23.015 -13.7133   10.079  102.967   45.124   46.920   23.137 56.04698 50.71003 
1 1 1   -6   27   28 o   54.593   25.998  -4.0937   10.123 -19.2900   18.770   2.1386   12.021   59.423   29.680   64.495   29.951 -5.072498 42.16636 
1 1 1   -6   27   29 o   61.594   27.522   3.9363   8.9758 -13.0500   16.473   11.109   10.704   58.119   28.826   74.495   31.691 -16.37550 42.83959 
1 1 1   -6   27   30 o   53.968   25.461  -1.3927   9.2824   8.7840   21.961  -3.6063   10.242   71.858   35.174   53.530   25.670 18.32833 43.54489 
1 1 1   -6   27   31 o   55.455   26.152   0.0362   9.7747   0.0000   0.0000   0.0362   9.7747  ?   ?    55.455   26.152 0.000000 26.15229 
1 1 1   -6   27   32 o   57.941   26.953   3.0711   9.8014 -17.3900   20.239   9.3402   11.203   56.418   28.520   66.629   30.174 -10.21135 41.51987 
1 1 1   -6   27   33 o   66.468   30.323   10.466   11.575  -7.3920   22.466   16.920   13.506   59.694   30.161   73.154   33.130 -13.46014 44.80279 
1 1 1   -6   27   34 o   49.109   23.592  -1.9099   8.7368   0.4066   23.774  -2.2716   9.3942   60.999   30.845   49.863   24.081 11.13667 39.13239 
1 1 1   -6   27   35 o   62.951   27.925   9.5409   9.0692   15.610   19.306   7.8223   10.273   64.724   31.936   60.296   27.891 4.427902 42.40079 
1 1 1   -6   27   36 o   67.765   28.618   13.058   8.6238   6.9050   23.834   13.985   9.2505   58.767   29.842   68.305   29.269 -9.538227 41.79942 
1 1 1   -6   27   37 o   52.905   25.035   4.6896   9.0960   16.750   22.347   2.2948   9.9582   59.025   29.854   51.017   24.676 8.007988 38.73215 
1 1 1   -6   28    1 o   56.191   26.670  -9.9512   10.477 -14.5249   15.425  -6.0342   14.275   66.474   31.777   71.274   32.937 -4.799873 45.76665 
1 1 1   -6   28    2 o  194.113   22.843   53.180   11.266   41.068   18.300   60.572   14.296  153.654   43.829  203.444   27.860 -49.79016 51.93469 
1 1 1   -6   28    3 o  214.366   21.121   64.040   11.575   61.388   17.599   66.061   15.367  197.861   35.650  211.684   28.771 -13.82317 45.81143 
1 1 1   -6   28    4 o  192.296   23.707   52.604   11.558   48.290   17.516   55.931   15.383  170.423   40.311  191.657   32.123 -21.23491 51.54447 
1 1 1   -6   28    5 o  184.531   24.857   48.968   11.579   61.308   17.985   40.232   15.132  196.219   36.735  157.172   37.662 39.04730 52.61079 
1 1 1   -6   28    6 o  228.790   20.566   72.846   12.058   71.993   17.562   73.606   16.585  217.218   32.186  222.223   29.545 -5.004593 43.69006 
1 1 1   -6   28    7 o  105.024   34.017   17.338   10.566   10.177   17.241   21.645   13.372   95.903   40.480  114.665   38.323 -18.76199 55.74290 
1 1 1   -6   28    8 o  107.264   34.785   18.359   11.046   32.142   17.345   8.9542   14.328  133.895   43.597   89.979   37.363 43.91608 57.41699 
1 1 1   -6   28    9 o  261.825   18.384   94.396   12.389  100.067   19.826   90.763   15.869  257.123   30.353  250.825   24.748 6.298279 39.16306 
1 1 1   -6   28   10 o  234.315   19.884   76.619   11.955   77.128   19.015   76.287   15.373  220.504   34.415  227.625   26.574 -7.120514 43.48013 
1 1 1   -6   28   11 o  167.803   27.501   42.278   11.540   31.798   18.549   48.894   14.739  129.462   45.087  174.917   33.753 -45.45532 56.32153 
1 1 1   -6   28   12 o  185.928   22.770   49.843   10.737   41.780   16.771   55.442   13.976  152.381   41.409  190.275   29.297 -37.89494 50.72501 
1 1 1   -6   28   13 f  117.294   36.727   23.776   12.404   34.150   24.473   20.190   14.389  125.666   50.056  107.622   39.451 18.04385 63.73378 
1 1 1   -6   28   14 o  131.084   39.206   31.185   14.344   32.740   19.894   29.500   20.703  125.723   46.343  119.748   46.536 5.974648 65.67506 
1 1 1   -6   28   15 o   94.225   35.011   14.573   11.398   35.678   17.477  -1.0480   15.036  133.232   43.781   74.556   34.217 58.67654 55.56588 
1 1 1   -6   28   16 o  135.145   35.776   32.278   12.720   36.280   24.236   30.756   14.944  122.389   49.442  126.037   40.416 -3.648178 63.85909 
1 1 1   -6   28   17 o  135.475   24.382   28.002   8.2414   14.560   19.184   31.045   9.1265   94.638   41.343  141.508   25.851 -46.87030 48.75941 
1 1 1   -6   28   18 o   80.648   29.545   10.280   8.0677   10.140   21.158   10.303   8.7270   89.543   40.906   80.972   30.526 8.570877 51.04071 
1 1 1   -6   28   19 o   46.039   22.525 -12.7436   8.9755 -41.3700   22.540  -7.3487   9.7848   61.426   30.933   53.540   25.515 7.885674 40.09785 
1 1 1   -6   28   20 o   57.728   26.604  -2.0105   9.2196   11.360   23.330  -4.4850   10.037   88.405   41.278   56.884   26.725 31.52060 49.17416 
1 1 1   -6   28   21 o   72.636   29.031   7.8348   8.2593   9.9370   23.229   7.5306   8.8368   85.686   40.380   72.539   29.650 13.14700 50.09661 
1 1 1   -6   28   22 o   67.141   27.493   6.0112   7.6153 -26.5100   22.291   10.308   8.1028   64.264   32.135   77.969   29.409 -13.70519 43.56073 
1 1 1   -6   28   23 o   49.169   22.959  -3.1962   7.2186   68.140   22.648 -11.2631   7.6159  153.930   49.796   41.736   20.488 112.1943 53.84572 
1 1 1   -6   28   24 o   66.353   27.733   5.9555   7.9676   14.550   22.749   4.7538   8.5064   84.139   39.746   64.736   27.908 19.40302 48.56501 
1 1 1   -6   28   25 o   63.223   26.676   5.0981   7.4827   14.120   22.725   4.0009   7.9246   81.912   38.993   61.733   26.774 20.17862 47.30045 
1 1 1   -6   28   26 o   49.958   23.349  -2.3540   7.4928   23.440   21.498  -5.9205   7.9941   86.858   40.237   47.160   22.632 39.69812 46.16538 
1 1 1   -6   28   27 o   45.198   21.783  -6.1779   7.5910   22.220   17.276 -12.9726   8.4505   85.930   38.305   41.881   20.749 44.04889 43.56369 
1 1 1   -6   28   28 o   75.987   31.200   12.689   9.8400   20.960   18.634   9.4913   11.587   80.712   37.415   70.238   31.336 10.47427 48.80396 
1 1 1   -6   28   29 o   55.221   26.493  -1.9938   10.937 -51.0300   23.374   11.752   12.376   51.983   26.653   71.384   32.076 -19.40067 41.70458 
1 1 1   -6   28   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   28   31 o   43.808   21.799 -11.8480   9.7344   28.600   20.997 -22.9221   10.986   75.896   36.489   40.788   20.664 35.10861 41.93409 
1 1 1   -6   28   32 o   86.490   37.165   31.497   14.990   31.450   20.675   31.550   21.765   75.386   36.235   74.301   36.066 1.085663 51.12505 
1 1 1   -6   28   33 o   42.003   20.785  -8.5031   8.3856   34.800   23.683 -14.7102   8.9665   71.603   35.338   39.361   19.780 32.24191 40.49763 
1 1 1   -6   28   34 o   80.617   31.406   20.043   9.4473   41.560   23.339   15.827   10.332   72.040   35.463   69.874   30.437 2.165535 46.73349 
1 1 1   -6   28   35 o   51.979   24.800   3.2386   9.3020 -16.1200   21.438   7.7285   10.324   50.949   26.079   57.032   26.890 -6.082451 37.45950 
1 1 1   -6   28   36 o   50.203   24.219   2.9526   9.4394 -25.9100   23.724   8.3816   10.289   48.414   24.919   55.682   26.429 -7.267235 36.32385 
1 1 1   -6   29    1 o  152.905   29.678   35.918   11.331   26.019   17.260   43.415   15.020  119.926   43.323  161.974   36.655 -42.04816 56.74884 
1 1 1   -6   29    2 o  176.301   24.351   45.238   10.824   28.152   16.030   59.556   14.674  125.029   41.958  197.823   29.541 -72.79339 51.31425 
1 1 1   -6   29    3 o  284.324   17.283  110.921   12.668  130.404   19.232   95.990   16.836  299.462   25.023  255.921   25.747 43.54037 35.90333 
1 1 1   -6   29    4 o  211.549   21.250   63.410   11.487   60.128   17.818   65.744   15.026  190.045   37.527  208.620   28.556 -18.57491 47.15685 
1 1 1   -6   29    5 o  233.032   19.967   76.193   11.936   68.867   18.183   81.740   15.822  205.894   35.368  234.863   26.469 -28.96956 44.17564 
1 1 1   -6   29    6 o  297.417   16.593  121.136   12.732  117.303   18.499  124.586   17.551  282.470   25.559  294.174   23.221 -11.70398 34.53248 
1 1 1   -6   29    7 o  255.585   18.759   91.040   12.332   59.800   19.180  113.056   16.102  183.458   41.351  280.931   22.310 -97.47298 46.98604 
1 1 1   -6   29    8 o  115.073   34.209   22.205   10.945   10.009   16.521   31.745   14.612   91.414   39.141  132.790   39.536 -41.37587 55.63422 
1 1 1   -6   29    9 o  169.043   26.195   43.051   11.099   16.440   18.459   58.120   13.890  101.071   42.225  194.493   28.409 -93.42150 50.89250 
1 1 1   -6   29   10 o  164.404   29.487   42.455   12.096   47.770   23.986   40.642   14.008  143.564   51.161  154.320   35.745 -10.75540 62.41078 
1 1 1   -6   29   11 o   87.206   36.692   9.9781   14.092   25.170   20.661  -3.2380   19.270  111.431   45.417   79.360   37.203 32.07087 58.70962 
1 1 1   -6   29   12 o  141.137   36.656   35.489   13.521   16.740   18.035   59.550   20.431   98.669   41.511  171.832   45.270 -73.16226 61.42101 
1 1 1   -6   29   13 o   47.575   23.569 -19.8146   10.897 -18.1460   13.780 -22.6000   17.804   56.492   27.696   62.677   30.877 -6.184597 41.47841 
1 1 1   -6   29   14 o   99.565   34.196   17.693   10.652   31.759   16.370   7.3626   14.029  122.574   42.375   81.054   35.383 41.51988 55.20506 
1 1 1   -6   29   15 o  101.905   32.788   18.516   9.8289   19.165   14.930   18.020   13.058   98.824   39.181   97.540   37.203 1.283676 54.02943 
1 1 1   -6   29   16 o  114.144   30.155   22.390   9.0494   10.507   12.422   35.827   13.209   82.574   34.581  137.522   36.482 -54.94783 50.26654 
1 1 1   -6   29   17 o  101.891   35.077   20.147   11.211  10.0000   18.631   25.908   14.037   84.767   38.593  110.022   39.146 -25.25446 54.97083 
1 1 1   -6   29   18 o  103.023   37.130   22.213   12.667   8.5680   19.104   32.920   16.922   82.419   38.093  116.045   42.747 -33.62546 57.25673 
1 1 1   -6   29   19 o  100.436   32.961   19.466   9.9068  -1.1610   21.456   25.055   11.169   75.722   36.526  112.140   34.808 -36.41867 50.45540 
1 1 1   -6   29   20 o  120.270   29.469   25.716   9.1086   6.2690   23.310   29.221   9.8954   80.352   38.583  127.386   30.410 -47.03415 49.12675 
1 1 1   -6   29   21 o  170.732   20.613   44.599   8.9315   41.290   23.937   45.134   9.6267  107.387   46.554  169.397   22.496 -62.01034 51.70389 
1 1 1   -6   29   22 o  148.079   21.706   34.436   8.0786   34.670   22.454   34.402   8.6585  100.120   44.199  145.572   23.784 -45.45142 50.19164 
1 1 1   -6   29   23 o   91.103   29.901   16.129   8.1528   9.4060   22.368   17.159   8.7551   77.713   37.438   92.599   31.009 -14.88612 48.61238 
1 1 1   -6   29   24 o  103.224   29.919   20.814   8.4641   36.530   22.581   18.246   9.1297   96.246   43.281   93.330   31.663 2.916405 53.62635 
1 1 1   -6   29   25 o   94.826   30.155   18.417   8.3324   31.230   20.052   15.743   9.1608   91.495   40.991   85.082   31.432 6.412872 51.65493 
1 1 1   -6   29   26 o   50.425   23.470  -0.9163   7.4485 -16.9200   17.331   2.7096   8.2493   55.932   28.022   57.342   25.937 -1.409653 38.18382 
1 1 1   -6   29   27 o   72.568   28.718   11.216   8.0067   20.570   18.541   9.0720   8.8771   77.106   36.257   67.530   28.797 9.576721 46.30135 
1 1 1   -6   29   28 o   86.263   30.416   17.568   8.4563   0.0000   0.0000   17.568   8.4563  ?   ?    86.263   30.416 0.000000 30.41614 
1 1 1   -6   29   29 o   67.580   28.346   10.447   8.3687 -12.8700   23.645   13.787   8.9479   58.312   29.622   73.775   29.958 -15.46318 42.13037 
1 1 1   -6   29   30 o   62.826   29.126   8.9910   11.296   13.410   22.666   7.5308   13.029   64.811   32.408   61.474   29.336 3.336269 43.71335 
1 1 1   -6   29   31 o   65.568   30.806   13.726   13.338   14.380   17.166   12.730   21.188   64.429   31.443   62.856   31.415 1.573536 44.44770 
1 1 1   -6   29   32 o   84.587   32.296   22.604   9.8469   50.280   23.656   16.804   10.830   75.844   36.991   70.381   30.896 5.463455 48.19646 
1 1 1   -6   29   33 o   70.213   30.039   16.555   9.7167   25.550   23.834   14.762   10.641   62.528   31.529   65.587   29.582 -3.058708 43.23357 
1 1 1   -6   29   34 o   43.510   21.246  -2.6917   7.8695   1.9940   18.551  -3.7199   8.6901   53.250   26.963   43.960   21.640 9.290478 34.57304 
1 1 1   -6   29   35 o   37.957   19.036  -9.4955   8.0941   31.070   23.112 -15.1661   8.6413   58.699   29.763   36.023   18.258 22.67623 34.91710 
1 1 1   -6   30    1 o  121.019   33.007   24.651   10.633   22.814   15.448   26.305   14.657  110.218   40.797  118.182   40.120 -7.963333 57.21854 
1 1 1   -6   30    2 o  202.029   21.896   59.231   11.275   53.901   17.487   63.024   14.750  172.463   39.932  200.544   29.256 -28.08047 49.50237 
1 1 1   -6   30    3 o   89.216   33.001   12.605   10.105   8.9291   15.443   15.358   13.363   87.036   37.562   96.004   37.366 -8.968643 52.98177 
1 1 1   -6   30    4 o  112.262   36.100   22.423   11.916   7.0930   24.220   27.319   13.687   92.996   42.950  121.355   38.654 -28.35904 57.78267 
1 1 1   -6   30    5 o   62.677   29.023  -3.7707   11.166 -26.4200   22.064   4.0275   12.947   69.007   34.067   76.464   33.669 -7.457657 47.89689 
1 1 1   -6   30    6 o   79.817   35.488   4.6909   14.729   26.030   24.008  -8.1880   18.651  109.908   47.125   73.777   35.177 36.13109 58.80646 
1 1 1   -6   30    7 o   82.600   36.583   6.4066   15.504   50.860   25.592 -19.3700   19.488  139.399   52.329   67.725   33.147 71.67423 61.94399 
1 1 1   -6   30    8 o   79.310   33.785   7.3075   12.196  -5.9639   17.027   21.290   17.478   72.083   34.151  103.744   41.960 -31.66105 54.10064 
1 1 1   -6   30    9 o   92.866   36.432   15.031   12.782   20.285   17.413   8.8930   18.823  101.358   41.547   87.549   39.429 13.80859 57.27827 
1 1 1   -6   30   10 o  134.111   29.303   29.617   9.8949   44.959   15.320   18.634   12.961  154.161   38.483   99.297   37.247 54.86365 53.55674 
1 1 1   -6   30   11 o   83.320   32.682   11.238   10.285   12.844   16.440   10.205   13.184   88.922   38.565   83.228   35.279 5.693336 52.26686 
1 1 1   -6   30   12 o  128.160   28.689   27.331   9.2867   16.291   14.093   35.803   12.346   92.671   37.610  140.500   34.238 -47.82973 50.85954 
1 1 1   -6   30   13 o   93.960   32.373   16.099   9.5502   23.204   14.742   10.960   12.537  103.594   39.525   82.530   34.660 21.06471 52.56913 
1 1 1   -6   30   14 o  159.176   24.718   40.064   9.8611   54.887   15.299   29.528   12.898  171.042   35.684  119.988   37.433 51.05433 51.71633 
1 1 1   -6   30   15 o   56.823   27.065  -6.0572   10.981   15.380   23.105 -12.3127   12.481   88.602   41.272   55.103   26.874 33.49873 49.25028 
1 1 1   -6   30   16 o   91.974   38.333   18.877   15.162   30.480   23.334   10.400   19.946  100.151   44.590   82.437   38.383 17.71378 58.83445 
1 1 1   -6   30   17 o   97.029   37.010   21.146   12.923   33.080   20.656   13.470   16.565  104.127   44.149   83.316   37.297 20.81148 57.79466 
1 1 1   -6   30   18 o   64.747   27.665   5.0575   8.2226   26.550   17.229  -1.2818   9.3570   98.526   40.946   57.050   26.470 41.47657 48.75731 
1 1 1   -6   30   19 o   64.634   27.844   5.0800   8.4555   31.240   19.442  -1.0224   9.3901   99.956   42.620   57.045   26.485 42.91146 50.17917 
1 1 1   -6   30   20 o  112.563   26.547   22.204   7.6147   17.740   20.054   22.956   8.2311   83.557   38.763  112.270   28.310 -28.71258 47.99989 
1 1 1   -6   30   21 o   58.553   25.929   2.8981   7.7869   14.820   19.470   0.6281   8.4960   79.607   37.343   56.375   25.817 23.23109 45.39827 
1 1 1   -6   30   22 o  105.378   29.499   21.712   8.3705   41.550   20.352   17.674   9.1831  103.775   43.902   90.524   31.713 13.25046 54.15794 
1 1 1   -6   30   23 o   98.077   30.188   19.908   8.4207   36.520   19.859   16.266   9.2979   95.648   41.917   85.157   31.625 10.49046 52.50837 
1 1 1   -6   30   24 o  113.942   28.058   25.156   8.2261   30.300   19.368   24.024   9.0864   86.762   39.442  105.640   31.109 -18.87724 50.23373 
1 1 1   -6   30   25 o   37.913   18.840 -11.5559   7.1713 -34.6000   18.696  -7.5808   7.7653   50.126   25.547   42.981   21.013 7.145298 33.07876 
1 1 1   -6   30   26 o   48.128   22.642  -1.0380   7.2468   3.3840   17.826  -1.9136   7.9318   62.709   30.893   48.559   23.093 14.14946 38.57046 
1 1 1   -6   30   27 o   62.356   28.269   7.9291   9.8629   0.0000   0.0000   7.9291   9.8629  ?   ?    62.356   28.269 0.000000 28.26921 
1 1 1   -6   30   28 o   46.244   22.435  -3.7156   8.3909 -47.3400   22.236   3.5282   9.0608   48.200   24.772   55.029   25.704 -6.828743 35.69785 
1 1 1   -6   30   29 o   60.405   28.292   8.5389   11.102 -20.8800   22.731   17.755   12.723   52.788   27.008   69.756   31.810 -16.96859 41.72890 
1 1 1   -6   30   30 f   55.609   26.500   5.1429   10.555   42.240   19.863  -9.4548   12.460   76.826   36.539   47.230   23.677 29.59647 43.53924 
1 1 1   -6   30   31 o   59.556   27.841   10.173   10.664   7.7600   20.844   11.028   12.411   57.094   28.872   59.654   28.513 -2.559357 40.57796 
1 1 1   -6   30   32 o   44.786   22.231  -4.8955   9.8775 -14.9100   22.838  -2.5911   10.955   50.321   25.837   47.482   23.542 2.839203 34.95378 
1 1 1   -6   30   33 o   43.312   21.982 -12.7315   12.815 -13.3600   21.209 -12.3700   16.084   48.427   24.866   46.133   23.528 2.294189 34.23306 
1 1 1   -6   30   34 o   49.313   24.049   4.9109   9.9918  -1.1480   21.015   6.6806   11.358   48.968   25.119   50.713   24.920 -1.744904 35.38292 
1 1 1   -6   31    1 o   96.343   36.126   17.336   12.191   5.4553   16.029   33.640   18.776   79.844   36.132  119.307   44.816 -39.46319 57.56693 
1 1 1   -6   31    2 o   60.749   28.503  -4.5894   11.354 -16.5325   14.534   14.110   18.186   58.340   28.569   91.201   40.036 -32.86108 49.18422 
1 1 1   -6   31    3 o   64.168   29.684  -2.0070   11.639 -19.9925   15.785   19.420   17.229   58.822   28.996   97.799   40.821 -38.97652 50.07104 
1 1 1   -6   31    4 o   83.953   31.817   11.754   9.5127   6.7235   14.429   15.621   12.651   79.090   35.147   92.100   36.209 -13.01075 50.46159 
1 1 1   -6   31    5 o  112.990   33.052   23.188   10.288   29.473   15.704   18.464   13.616  115.672   41.378   96.816   37.707 18.85654 55.98208 
1 1 1   -6   31    6 o  222.038   18.436   71.097   10.507   86.477   16.574   60.763   13.586  229.978   28.428  193.274   27.949 36.70409 39.86611 
1 1 1   -6   31    7 o   92.507   32.979   15.700   9.9678   2.2434   14.911   26.570   13.402   73.516   33.863  112.953   38.363 -39.43750 51.17079 
1 1 1   -6   31    8 o  148.637   26.681   35.871   9.8952   39.989   16.800   33.684   12.244  131.714   42.908  133.470   34.989 -1.755692 55.36568 
1 1 1   -6   31    9 o  118.790   31.367   25.385   9.7943   28.976   13.967   21.910   13.739  115.318   39.163  100.828   38.231 14.49025 54.72962 
1 1 1   -6   31   10 o  129.022   30.169   29.264   9.9026   4.5713   15.727   45.485   12.747   75.308   34.720  159.584   31.951 -84.27610 47.18433 
1 1 1   -6   31   11 o   71.042   30.132   6.7836   9.6277   15.232   14.412  -0.0246   12.938   87.061   36.894   66.462   30.934 20.59893 48.14625 
1 1 1   -6   31   12 o   65.641   28.634   4.3297   9.1733  -5.9327   14.345   11.430   11.932   62.932   30.232   80.154   33.745 -17.22149 45.30685 
1 1 1   -6   31   13 o   61.629   27.928   1.5116   9.6148  -2.1020   20.167   2.5747   10.938   72.194   34.967   65.373   29.688 6.820610 45.87012 
1 1 1   -6   31   14 o   88.026   37.053   17.713   14.382   30.530   21.804   7.8420   19.134   97.598   43.296   77.547   36.577 20.05103 56.67786 
1 1 1   -6   31   15 o   81.985   32.810   13.521   10.564   11.831   14.208   15.610   15.797   78.841   34.964   83.544   36.967 -4.702644 50.88220 
1 1 1   -6   31   16 o   90.059   30.138   15.848   8.2702   14.702   12.661   16.701   10.922   82.296   34.711   87.497   33.857 -5.200211 48.48827 
1 1 1   -6   31   17 o  119.682   29.665   26.942   9.1503   33.425   12.849   20.271   13.034  119.621   37.368   90.517   36.367 29.10404 52.14325 
1 1 1   -6   31   18 o  113.888   25.935   22.818   7.4797   26.680   16.913   21.879   8.3395   93.087   39.723  106.807   29.273 -13.71988 49.34407 
1 1 1   -6   31   19 o   78.722   28.387   12.148   7.4055   29.640   16.993   8.0469   8.2279   95.131   40.173   68.106   28.300 27.02487 49.14021 
1 1 1   -6   31   20 o   65.575   27.705   7.2193   8.0879   2.0510   17.759   8.5717   9.0847   66.775   32.452   68.560   29.181 -1.784241 43.64229 
1 1 1   -6   31   21 o   94.588   30.181   19.124   8.3413  -1.1270   18.922   24.008   9.2931   64.433   31.759  104.809   31.604 -40.37540 44.80484 
1 1 1   -6   31   22 o   57.190   25.494   3.8079   7.6536  -7.6210   17.913   6.3603   8.4653   59.237   29.492   62.382   27.352 -3.144512 40.22328 
1 1 1   -6   31   23 f   54.839   24.576   3.2725   7.2136 -12.6500   17.157   6.6918   7.9505   55.138   27.661   61.651   26.778 -6.512978 38.49901 
1 1 1   -6   31   24 o   43.124   21.016  -5.9965   7.5933 -20.5800   16.868  -2.2899   8.5037   50.764   25.705   48.869   23.423 1.895252 34.77640 
1 1 1   -6   31   25 o   46.586   22.782  -5.3228   9.1499   0.0000   0.0000  -5.3228   9.1499  ?   ?    46.586   22.782 0.000000 22.78242 
1 1 1   -6   31   26 o   64.949   28.804   11.150   9.6438 -15.7500   21.393   18.010   10.804   53.737   27.382   74.343   31.737 -20.60626 41.91679 
1 1 1   -6   31   27 o   52.711   24.554   3.4911   8.1788   3.1610   22.656   3.5406   8.7702   58.016   29.422   53.254   25.007 4.762573 38.61384 
1 1 1   -6   31   28 o   64.010   29.010   13.012   10.377   6.2360   23.051   14.734   11.621   57.477   29.203   64.771   29.856 -7.294323 41.76370 
1 1 1   -6   31   29 o   45.594   22.484  -3.8274   9.5183   2.5230   21.068  -5.4560   10.669   54.826   27.862   46.012   22.884 8.814236 36.05511 
1 1 1   -6   31   30 o   43.411   21.326  -3.3517   8.3025 -27.0400   16.695   4.4316   9.5698   43.709   22.418   51.666   24.786 -7.957016 33.42018 
1 1 1   -6   31   31 o   62.233   27.359   13.283   8.5199   17.100   22.568   12.649   9.2007   55.131   28.095   59.971   27.233 -4.840050 39.12761 
1 1 1   -6   31   32 o   37.176   18.835 -13.2032   9.1389   15.170   22.990 -18.5280   9.9596   52.386   26.829   36.349   18.536 16.03621 32.60989 
1 1 1   -6   32    1 o  112.271   31.025   23.154   9.3228   44.003   14.939   9.8539   11.931  143.974   39.063   78.060   33.339 65.91404 51.35564 
1 1 1   -6   32    2 o  127.996   29.790   28.968   9.6914   33.577   15.138   25.766   12.616  119.156   40.770  109.055   37.220 10.10072 55.20452 
1 1 1   -6   32    3 o   49.896   23.886  -6.7472   8.7843 -12.3040   12.735  -1.7032   12.133   55.200   26.970   63.054   29.546 -7.854107 40.00476 
1 1 1   -6   32    4 o   41.134   20.518 -17.6095   8.8418 -11.2970   13.546 -22.2954   11.671   57.491   28.029   46.424   23.220 11.06620 36.39781 
1 1 1   -6   32    5 o   54.411   25.354  -2.5202   8.7306 -11.6979   12.636   5.8635   12.077   55.171   26.936   71.586   31.960 -16.41500 41.79734 
1 1 1   -6   32    6 o   67.561   28.775   5.8687   8.8436   1.7457   14.222   8.4679   11.292   69.057   32.239   74.427   32.120 -5.369415 45.50885 
1 1 1   -6   32    7 f   70.731   29.646   7.4954   9.1427   8.0907   14.170   7.0709   11.967   75.494   34.085   72.517   32.127 2.977119 46.83964 
1 1 1   -6   32    8 o   61.807   27.434   2.9454   8.7659  -1.8820   13.754   6.2474   11.376   64.371   30.554   70.426   31.256 -6.055534 43.70900 
1 1 1   -6   32    9 o   66.984   29.078   5.6752   9.3643   1.4915   14.434   8.7163   12.306   67.921   31.954   74.221   32.745 -6.300316 45.75293 
1 1 1   -6   32   10 o   71.398   31.128   7.7700   10.827  -9.5730   22.814   12.811   12.300   68.723   34.056   79.845   33.969 -11.12195 48.10094 
1 1 1   -6   32   11 o   86.683   35.398   17.333   12.581   45.130   21.844   3.5350   15.390  110.462   46.023   69.733   32.864 40.72934 56.55190 
1 1 1   -6   32   12 o   62.868   28.740   2.6918   10.467  -0.9769   12.846   9.9390   18.055   62.302   29.559   76.055   35.768 -13.75324 46.40119 
1 1 1   -6   32   13 o   49.269   23.611  -5.4318   8.6337   10.133   13.748 -15.5674   11.094   74.332   33.566   47.453   23.556 26.87917 41.00687 
1 1 1   -6   32   14 o   90.545   31.015   17.118   8.7606   10.679   12.724   22.922   12.080   74.120   32.968   95.935   35.964 -21.81471 48.78854 
1 1 1   -6   32   15 o   79.907   30.614   13.413   8.8670   6.2050   12.470   20.786   12.611   67.734   31.113   89.376   35.820 -21.64249 47.44573 
1 1 1   -6   32   16 o  112.086   29.754   24.932   8.7827   27.244   12.604   22.750   12.245  101.116   36.946   92.761   35.861 8.355255 51.48776 
1 1 1   -6   32   17 o  136.433   25.924   33.454   8.8266   49.762   12.243   15.804   12.737  157.674   31.082   78.501   33.995 79.17223 46.06236 
1 1 1   -6   32   18 o   58.900   27.337   2.5455   9.9907  -6.5300   16.327   7.9777   12.632   58.989   29.155   67.241   31.042 -8.252926 42.58670 
1 1 1   -6   32   19 o   51.425   23.936   0.0307   7.7463   5.6680   16.356  -1.5995   8.7954   65.445   31.647   51.516   24.447 13.92894 39.98986 
1 1 1   -6   32   20 o   45.753   21.866  -3.2368   7.2934  -7.5440   16.245  -2.1494   8.1622   56.508   28.126   49.021   23.345 7.487045 36.55184 
1 1 1   -6   32   21 o   72.163   27.604   11.651   7.2022   11.880   17.702   11.606   7.8843   66.678   32.403   70.843   28.347 -4.164589 43.05256 
1 1 1   -6   32   22 o   59.858   26.415   6.8591   8.0124   16.140   17.580   4.4257   9.0017   67.575   32.710   56.671   26.177 10.90378 41.89457 
1 1 1   -6   32   23 o   40.910   20.456 -12.2626   9.0312   0.0000   0.0000 -12.2626   9.0312  ?   ?    40.910   20.456 0.000000 20.45643 
1 1 1   -6   32   24 o   44.417   21.948  -6.7680   9.2333 -20.3200   19.794  -2.9992   10.439   50.620   25.842   49.044   24.057 1.576443 35.30627 
1 1 1   -6   32   25 o   55.659   25.384   6.1879   8.1051   8.2220   19.816   5.7793   8.8821   58.164   29.253   55.267   25.693 2.896244 38.93415 
1 1 1   -6   32   26 o   64.528   27.499   11.993   8.0859   47.330   22.510   6.7581   8.6642   71.153   34.987   55.504   25.653 15.64846 43.38446 
1 1 1   -6   32   27 o   53.421   25.992   5.3806   11.480 -18.6100   22.336   13.994   13.384   49.443   25.394   59.711   28.814 -10.26816 38.40731 
1 1 1   -6   32   28 o   50.608   24.655   3.6090   10.425 -32.4500   22.560   13.399   11.755   46.201   23.804   58.858   28.026 -12.65706 36.77092 
1 1 1   -6   32   29 o   47.937   23.089   2.9225   8.4970  -9.6130   18.689   6.1889   9.5400   47.536   24.334   51.453   24.700 -3.916794 34.67344 
1 1 1   -6   32   30 o   37.878   19.036  -8.7249   8.3087 -25.1500   19.757  -5.1959   9.1578   43.675   22.492   41.245   20.620 2.430641 30.51368 
1 1 1   -6   32   31 o   38.402   19.273  -6.5652   8.3718 -15.0800   22.496  -5.1963   9.0196   44.855   23.140   40.063   20.092 4.791950 30.64582 
1 1 1   -6   33    1 f   75.212   29.805   10.572   8.6358   3.8635   13.129   15.688   11.465   67.529   31.340   84.146   34.001 -16.61615 46.24190 
1 1 1   -6   33    2 o   45.747   22.478 -11.4435   9.2358 -19.5849   13.760  -4.7675   12.460   51.165   25.533   58.381   28.079 -7.215740 37.95177 
1 1 1   -6   33    3 o   76.337   30.636   11.249   9.2388   4.8033   14.160   16.027   12.191   69.216   32.265   83.823   34.607 -14.60680 47.31449 
1 1 1   -6   33    4 o   50.491   24.058  -4.5245   8.6926 -12.2558   12.743   2.2043   11.888   53.213   26.197   63.980   29.737 -10.76668 39.62989 
1 1 1   -6   33    5 o   51.199   24.439  -4.6263   9.0544  -9.5986   13.980  -1.0335   11.883   57.004   27.937   60.429   28.601 -3.424690 39.98120 
1 1 1   -6   33    6 o  130.831   31.635   33.778   10.603   25.830   21.265   36.407   12.232   87.439   40.334  128.828   35.512 -41.38911 53.73997 
1 1 1   -6   33    7 o   70.971   32.129   8.2198   12.689   22.730   17.314  -8.6170   18.650   87.072   38.606   63.133   31.196 23.93875 49.63475 
1 1 1   -6   33    8 o   61.139   29.113  -0.7541   12.686   13.030   19.619 -10.6600   16.632   76.583   36.391   59.491   29.408 17.09205 46.78849 
1 1 1   -6   33    9 o  107.640   35.543   27.621   11.513   23.508   15.482   32.710   17.220   88.935   37.980   98.755   40.980 -9.820572 55.87359 
1 1 1   -6   33   10 o   67.690   28.967   7.8980   9.0402   3.7603   12.941   11.842   12.635   65.028   30.485   74.359   32.974 -9.331230 44.90649 
1 1 1   -6   33   11 o   63.913   27.609   6.2805   8.3597   4.4521   11.862   8.0844   11.783   64.362   29.842   68.695   31.043 -4.333572 43.06009 
1 1 1   -6   33   12 o   85.509   30.407   15.918   8.4686   19.245   12.166   12.791   11.795   84.974   34.768   74.664   32.523 10.31078 47.60803 
1 1 1   -6   33   13 o   60.736   26.867   4.9782   8.3379   12.835   11.326  -4.3182   12.320   74.208   32.096   55.832   27.109 18.37565 42.01279 
1 1 1   -6   33   14 o   58.889   26.670   3.8326   8.7531   6.4655   12.591   1.3699   12.177   65.250   30.419   59.900   28.523 5.350422 41.69951 
1 1 1   -6   33   15 o  101.233   31.112   23.007   8.9478   20.962   12.466   25.180   12.851   84.011   34.865   90.544   36.204 -6.532433 50.26262 
1 1 1   -6   33   16 o   48.109   22.854  -2.1985   7.7273  -7.7273   10.337   4.8059   11.634   48.502   23.821   61.353   28.808 -12.85054 37.38106 
1 1 1   -6   33   17 o   70.965   28.309   11.411   7.8381   20.782   11.681   3.7359   10.571   82.425   33.936   58.574   27.490 23.85103 43.67264 
1 1 1   -6   33   18 o   63.245   27.943   8.4463   8.9923   14.810   17.193   6.0502   10.550   67.935   32.752   60.244   28.005 7.691154 43.09210 
1 1 1   -6   33   19 o   46.911   22.176  -0.8314   7.1062  -4.2620   16.783  -0.0819   7.8441   55.784   27.893   49.247   23.286 6.537159 36.33553 
1 1 1   -6   33   20 o   69.410   28.482   12.607   8.1946   26.780   18.197   9.0012   9.1779   71.757   34.359   61.774   27.700 9.982800 44.13424 
1 1 1   -6   33   21 o   41.603   20.781 -10.7559   9.2094   0.0000   0.0000 -10.7559   9.2094  ?   ?    41.603   20.781 0.000000 20.78107 
1 1 1   -6   33   22 o   65.496   29.837   14.887   11.158   0.0000   0.0000   14.887   11.158  ?   ?    65.496   29.837 0.000000 29.83714 
1 1 1   -6   33   23 o   68.282   28.282   14.033   8.1803   17.600   17.528   13.040   9.2495   60.954   30.142   64.140   28.339 -3.185883 41.37202 
1 1 1   -6   33   24 o   43.687   21.337  -2.5534   7.9487 -24.4600   18.545   2.3771   8.7979   45.987   23.590   49.423   23.725 -3.436550 33.45638 
1 1 1   -6   33   25 o   44.340   21.833  -2.6761   8.8674 -16.3500   20.542   0.4555   9.8305   48.064   24.667   47.774   23.416 0.2904243 34.01173 
1 1 1   -6   33   26 o   43.917   21.777  -3.2100   9.3849  -4.8910   22.123  -2.8412   10.364   49.874   25.596   45.191   22.488 4.683170 34.07151 
1 1 1   -6   33   27 o   43.495   21.395  -1.2497   8.4419   13.710   21.927  -3.8528   9.1470   52.450   26.810   42.438   21.120 10.01186 34.12944 
1 1 1   -6   33   28 o   44.999   22.022   1.5774   8.5939  -6.1760   21.960   2.9796   9.3387   46.990   24.175   46.532   22.811 0.4585686 33.23771 
1 1 1   -6   33   29 o   35.827   18.098  -9.7560   8.0630 -17.8500   17.982  -7.7192   9.0206   42.295   21.765   38.339   19.340 3.955372 29.11643 
1 1 1   -6   33   30 o   44.569   22.213   3.8817   10.271 -31.1400   21.578   14.142   11.680   40.574   21.011   50.542   24.920 -9.967335 32.59527 
1 1 1   -6   34    1 o   69.210   32.050   8.5453   13.622   23.480   19.683  -5.1830   18.871   81.526   38.015   62.829   31.106 18.69727 49.11973 
1 1 1   -6   34    2 f   64.936   30.740   4.2126   13.741  -0.1903   19.726   8.3630   19.152   65.814   32.438   70.443   34.108 -4.628670 47.06978 
1 1 1   -6   34    3 f   49.128   24.360 -12.9070   11.737  -6.5170   17.230 -18.4400   16.033   60.523   29.921   53.405   26.784 7.118122 40.15763 
1 1 1   -6   34    4 o   61.467   28.555   3.4457   10.941  -9.6558   13.602   27.460   18.415   54.235   26.769   85.763   38.777 -31.52841 47.11943 
1 1 1   -6   34    5 o   62.431   28.599   4.7830   10.438   6.1731   12.811   2.0390   18.000   65.720   30.653   65.471   32.004 0.2494354 44.31601 
1 1 1   -6   34    6 o   64.692   27.386   7.3965   7.9285   0.8619   11.503   13.311   10.943   58.964   27.974   74.832   31.944 -15.86870 42.46096 
1 1 1   -6   34    7 o   62.443   27.687   6.0035   8.9053   4.4240   12.724   7.5200   12.468   63.305   29.849   66.376   30.712 -3.070770 42.82737 
1 1 1   -6   34    8 o  145.391   25.485   38.381   9.2480   44.292   13.040   32.399   13.117  134.059   36.548  105.014   37.790 29.04482 52.57285 
1 1 1   -6   34    9 o   97.998   30.525   21.306   8.5808   14.769   12.576   27.001   11.738   74.320   32.930   98.333   35.695 -24.01302 48.56422 
1 1 1   -6   34   10 o  105.513   30.244   24.204   8.6927   25.114   11.774   23.114   12.888   93.045   35.365   85.816   35.519 7.228844 50.12240 
1 1 1   -6   34   11 o  131.621   26.822   33.326   8.8342   15.248   11.921   55.346   13.157   74.097   32.474  156.686   33.436 -82.58863 46.61035 
1 1 1   -6   34   12 f   59.606   26.247   5.8933   7.8691  -6.3404   11.836   15.585   10.535   51.514   25.338   75.562   31.755 -24.04747 40.62510 
1 1 1   -6   34   13 o   41.585   20.555  -9.4168   8.1206 -13.5080   11.074  -4.6578   11.944   45.433   22.708   52.337   25.685 -6.903667 34.28353 
1 1 1   -6   34   14 o   37.171   18.652 -14.3179   7.8264 -19.2917   10.505  -8.1145   11.732   41.015   20.712   49.259   24.412 -8.243973 32.01452 
1 1 1   -6   34   15 o   34.281   17.356 -18.2733   7.6708 -26.6732   10.953 -10.1884   10.746   38.584   19.655   45.906   22.853 -7.322048 30.14254 
1 1 1   -6   34   16 o   43.313   21.008  -4.0500   7.3458  -1.1646   10.748  -6.5793   10.063   51.556   25.099   46.548   22.985 5.008064 34.03286 
1 1 1   -6   34   17 o   75.677   28.653   15.123   7.7104   9.7425   10.922   20.468   10.886   61.195   28.463   76.666   32.253 -15.47017 43.01583 
1 1 1   -6   34   18 f   52.180   24.051   3.9209   7.5387   13.076   10.181  -7.1915   11.217   64.751   29.095   46.635   23.237 18.11629 37.23566 
1 1 1   -6   34   19 f   52.397   25.709   2.0112   11.947   0.0000   0.0000   2.0112   11.947  ?   ?    52.397   25.709 0.000000 25.70881 
1 1 1   -6   34   20 o   49.057   23.831   0.9428   9.5521 -40.5100   20.487   12.457   10.797   44.684   23.007   60.677   28.247 -15.99237 36.43095 
1 1 1   -6   34   21 o   51.563   24.296   4.9053   8.4037   9.2620   18.479   3.7693   9.4359   54.974   27.725   50.757   24.418 4.216137 36.94435 
1 1 1   -6   34   22 o   36.992   18.550  -9.8188   7.6741 -21.3900   16.926  -6.8248   8.6098   44.414   22.766   40.724   20.303 3.689964 30.50396 
1 1 1   -6   34   23 f   46.053   22.710  -0.2852   9.7109   0.7053   16.879  -0.7753   11.873   49.766   25.255   47.257   23.604 2.508968 34.56795 
1 1 1   -6   34   24 o   48.888   24.543   2.8872   13.630  -8.1350   18.796   15.110   19.794   46.972   24.071   53.032   26.956 -6.059753 36.13971 
1 1 1   -6   34   25 o   45.479   22.569   0.7944   10.153   5.0690   20.754  -0.5504   11.641   49.126   25.183   45.508   22.823 3.617931 33.98656 
1 1 1   -6   34   26 o   57.466   26.152   13.691   8.5442   23.780   22.325   11.960   9.2484   51.353   26.311   53.984   25.452 -2.630745 36.60725 
1 1 1   -6   34   27 o   42.119   20.941  -0.0481   8.9033   15.420   22.277  -2.9885   9.7127   47.999   24.676   40.967   20.587 7.031799 32.13624 
1 1 1   -6   34   28 o   41.143   20.535   0.1955   8.9157 -10.5200   20.164   2.7996   9.9402   42.142   21.747   43.142   21.556 -1.000050 30.61975 
1 1 1   -6   35    1 o   49.119   23.269  -1.2833   7.9006   2.1635   10.812  -5.2326   11.573   57.170   27.122   51.857   25.416 5.312374 37.16952 
1 1 1   -6   35    2 f   62.807   27.660   7.6342   8.7421   11.470   13.419   4.8055   11.523   67.533   31.456   60.335   28.436 7.197639 42.40392 
1 1 1   -6   35    3 o   55.402   25.351   3.2457   8.1706  -4.9527   12.332   9.6600   10.908   52.933   26.002   65.677   29.756 -12.74399 39.51622 
1 1 1   -6   35    4 o   81.021   30.394   16.416   8.6310   9.2130   11.877   24.474   12.563   64.849   29.995   85.823   35.248 -20.97389 46.28273 
1 1 1   -6   35    5 o   66.562   28.170   9.9490   8.3845   14.256   11.928   5.7420   11.788   70.765   31.666   60.842   28.701 9.922081 42.73716 
1 1 1   -6   35    6 o   49.384   23.350  -0.5921   7.8850 -10.3859   11.407   8.3683   10.911   47.629   23.684   63.197   29.057 -15.56845 37.48650 
1 1 1   -6   35    7 o   80.623   30.478   16.876   8.7153   5.2819   12.436   28.066   12.217   60.005   28.642   91.894   35.738 -31.88928 45.79938 
1 1 1   -6   35    8 o   75.529   29.124   14.274   8.0599   24.769   11.169   2.8721   11.642   88.681   34.260   56.988   27.339 31.69259 43.83062 
1 1 1   -6   35    9 o  125.729   26.787   32.029   8.4569   23.133   12.313   39.973   11.635   80.663   34.137  121.686   35.023 -41.02371 48.90786 
1 1 1   -6   35   10 o   68.591   28.632   12.175   8.4775   18.788   12.731   6.9067   11.363   72.447   32.545   59.657   28.153 12.79066 43.03242 
1 1 1   -6   35   11 o  100.997   29.541   24.249   8.2182   10.916   11.379   38.786   11.882   63.288   29.303  113.048   36.016 -49.76061 46.43028 
1 1 1   -6   35   12 o   70.461   28.670   13.578   8.2155   18.695   11.726   8.6441   11.514   71.877   31.825   59.960   28.310 11.91692 42.59389 
1 1 1   -6   35   13 o   71.429   28.796   14.445   8.2025   9.3939   11.903   19.013   11.319   59.734   28.374   71.895   31.573 -12.16055 42.44879 
1 1 1   -6   35   14 o   52.378   25.461   2.2102   10.952   2.2102   10.952   0.0000   0.0000   52.378   25.461  ?   ?  0.000000 25.46131 
1 1 1   -6   35   15 o   64.907   27.393   12.058   7.8929   2.6850   10.691   23.285   11.701   51.864   25.199   74.274   32.372 -22.41011 41.02343 
1 1 1   -6   35   16 o   67.231   29.176   15.789   9.4208   13.260   16.595   16.991   11.444   57.943   28.771   64.849   29.794 -6.906105 41.41816 
1 1 1   -6   35   17 o   67.961   30.286   19.374   10.791   44.560   17.114   2.7540   13.902   76.974   35.744   51.610   25.741 25.36351 44.04765 
1 1 1   -6   35   18 o   46.128   22.665  -0.6616   9.3871  -9.9645   12.399   11.830   14.368   43.999   22.252   55.585   27.450 -11.58529 35.33628 
1 1 1   -6   35   19 o   43.237   21.665  -5.8352   10.378   16.050   21.287 -12.6586   11.886   54.280   27.626   41.808   21.214 12.47153 34.83149 
1 1 1   -6   35   20 o   68.582   29.106   18.856   8.9915   34.680   21.582   15.532   9.8908   58.321   29.479   60.664   27.808 -2.342800 40.52521 
1 1 1   -6   35   21 o   63.649   29.039   20.186   10.619   0.4533   20.500   27.423   12.415   48.571   24.907   66.967   30.866 -18.39645 39.66177 
1 1 1   -6   35   22 o   46.087   22.675   2.7045   9.5003  -5.6060   17.876   5.9757   11.215   45.784   23.463   48.675   24.077 -2.890198 33.61924 
1 1 1   -6   35   23 o   47.665   23.332   5.9043   9.6621   9.9170   15.752   3.4837   12.234   48.958   24.796   46.364   23.273 2.594036 34.00726 
1 1 1   -6   35   24 o   42.848   21.016   1.7492   7.9594   10.710   17.428  -0.6124   8.9469   47.630   24.310   41.751   20.796 5.878735 31.99118 
1 1 1   -6   35   25 o   40.378   20.132  -0.7894   8.4721 -21.6100   20.944   3.2837   9.2638   41.049   21.217   43.499   21.581 -2.449909 30.26425 
1 1 1   -6   35   26 o   37.805   19.020  -3.3794   8.4087 -19.3400   22.027  -0.6566   9.0977   40.438   20.949   39.867   20.019 0.5715370 28.97656 
1 1 1   -6   36    1 o   58.456   26.319   7.3306   8.3802  -4.8309   11.716   20.073   11.992   49.337   24.441   73.151   32.296 -23.81393 40.50223 
1 1 1   -6   36    2 o   71.620   28.762   14.113   8.1486  -3.5808   11.266   33.527   11.801   49.549   24.439   98.464   35.783 -48.91531 43.33234 
1 1 1   -6   36    3 o   70.861   28.524   13.741   8.0352   3.6878   11.266   24.149   11.464   54.932   26.490   80.734   33.464 -25.80191 42.67959 
1 1 1   -6   36    4 o   57.841   25.841   7.1976   7.9088   5.9440   11.990   8.1631   10.523   56.903   27.412   58.913   27.577 -2.010006 38.88334 
1 1 1   -6   36    5 o   54.761   25.230   5.3039   8.2844   2.0719   11.809   8.4365   11.625   53.484   26.096   58.788   27.958 -5.303982 38.24479 
1 1 1   -6   36    6 o   64.362   26.868   10.743   7.4654  -0.4333   10.246   23.393   10.900   49.996   24.376   79.802   32.810 -29.80556 40.87376 
1 1 1   -6   36    7 o   52.295   24.318   4.0768   7.9664  -0.1372   11.409   8.0861   11.128   50.941   25.021   57.640   27.395 -6.698360 37.10152 
1 1 1   -6   36    8 o   44.765   21.865  -2.9976   8.3519   0.3556   11.923  -6.2276   11.702   51.250   25.251   47.079   23.502 4.171101 34.49639 
1 1 1   -6   36    9 o   59.415   26.224   9.2804   7.9006   2.9560   11.032   15.940   11.320   52.113   25.383   64.820   29.727 -12.70736 39.08892 
1 1 1   -6   36   10 o   49.145   23.209   2.6786   7.7481  -6.2492   12.183   8.7416   10.040   46.782   23.447   56.799   26.699 -10.01645 35.53282 
1 1 1   -6   36   11 o   75.007   29.700   18.596   8.5687   0.5334   12.264   35.825   11.977   50.052   24.832   91.921   35.486 -41.86878 43.31207 
1 1 1   -6   36   12 o   39.452   19.740  -8.8429   8.4719  -1.3830   12.614 -14.9737   11.435   48.619   24.291   41.156   20.875 7.463135 32.02830 
1 1 1   -6   36   13 o   40.057   20.105  -9.2072   9.1213 -10.4100   14.879  -8.4830   11.545   45.865   23.319   43.690   22.019 2.175053 32.07209 
1 1 1   -6   36   14 o   53.232   25.767   8.3344   10.910   40.960   16.397 -17.5800   14.613   71.686   33.826   42.936   21.942 28.75019 40.31965 
1 1 1   -6   36   15 o   54.363   26.746   12.240   13.215   0.0000   0.0000   12.240   13.215  ?   ?    54.363   26.746 0.000000 26.74630 
1 1 1   -6   36   16 o   40.421   20.001  -3.6105   7.7637   1.7039   11.400  -8.2079   10.603   47.210   23.508   41.395   20.892 5.814579 31.45017 
1 1 1   -6   36   17 o   43.134   21.247  -0.6262   8.4250   4.6981   12.219  -5.4508   11.632   48.424   24.148   43.143   21.787 5.280651 32.52430 
1 1 1   -6   36   18 o   59.296   26.732   14.685   8.6772   29.738   13.364   3.7123   11.410   64.020   30.309   47.044   23.440 16.97616 38.31525 
1 1 1   -6   36   19 o   42.375   21.286  -2.6996   10.326 -32.0000   21.471   6.1156   11.777   41.826   21.614   47.692   23.771 -5.865501 32.12875 
1 1 1   -6   36   20 o   46.372   23.078   5.2698   10.923   7.5750   21.686   4.4861   12.645   46.969   24.157   46.050   23.187 0.9192581 33.48433 
1 1 1   -6   36   21 o   48.396   23.644   9.2076   9.7824   15.410   21.625   7.6118   10.969   47.257   24.296   46.818   23.272 0.4387779 33.64287 
1 1 1   -6   36   22 o   38.950   19.436  -1.8186   7.9674   28.240   20.001  -7.4880   8.6863   48.964   25.073   36.524   18.489 12.43958 31.15283 
1 1 1   -6   36   23 o   35.931   18.040  -4.3576   7.3704   14.540   17.385  -8.4983   8.1379   45.272   23.197   34.707   17.605 10.56581 29.12080 
1 1 1   -6   36   24 o   35.572   17.927  -4.3128   7.6497 -20.3100   16.443   0.1057   8.6418   37.295   19.261   38.928   19.543 -1.632748 27.43907 
1 1 1   -6   37    1 o   55.170   25.390   8.2058   8.3571   8.3784   11.924   8.0392   11.716   54.261   26.420   54.033   26.282 0.2283478 37.26608 
1 1 1   -6   37    2 o   65.920   27.900   14.545   8.2258   16.270   12.351   13.170   11.027   60.453   28.769   58.877   27.769 1.576405 39.98526 
1 1 1   -6   37    3 o   38.882   19.406  -7.8167   7.9629   6.1749   11.514 -20.6444   11.025   52.359   25.595   38.143   19.456 14.21546 32.15034 
1 1 1   -6   37    4 o   49.291   23.444   3.8836   8.1780  -0.4435   11.200   8.8244   11.969   47.594   23.633   54.060   26.354 -6.466091 35.39849 
1 1 1   -6   37    5 o   41.115   20.328  -4.3772   7.9613  -8.2176   11.548  -0.8984   10.991   43.578   21.970   46.952   23.331 -3.373665 32.04686 
1 1 1   -6   37    6 f   60.705   27.194   13.167   8.8227   10.970   15.276   14.267   10.808   53.891   26.895   58.989   27.720 -5.098171 38.62275 
1 1 1   -6   37    7 f   81.034   32.344   27.851   10.237   41.530   17.297   20.477   12.700   68.799   33.088   61.754   29.326 7.044670 44.21294 
1 1 1   -6   37    8 o   68.320   30.051   21.482   10.291   28.340   17.424   17.807   12.753   59.865   29.684   58.712   28.280 1.153755 40.99852 
1 1 1   -6   37    9 o   49.702   24.264   5.4869   10.247   15.490   14.278  -5.1370   14.715   55.083   27.233   45.968   23.353 9.115139 35.87465 
1 1 1   -6   37   10 f   46.549   22.788   2.4617   9.2264   5.2563   11.978  -1.6150   14.467   49.199   24.432   46.667   23.650 2.531792 34.00341 
1 1 1   -6   37   11 o   47.879   23.391   4.5131   9.5730  -1.8095   12.258   14.400   15.328   45.152   22.747   52.624   26.363 -7.471481 34.82021 
1 1 1   -6   37   12 o   56.157   25.910   12.533   8.7816   11.390   12.389   13.687   12.449   51.665   25.510   53.117   26.099 -1.451939 36.49506 
1 1 1   -6   37   13 o   49.479   23.504   7.1514   8.1698   17.940   11.350  -4.4480   11.769   56.926   27.225   42.814   21.656 14.11217 34.78743 
1 1 1   -6   37   14 o   45.547   22.040   3.9470   7.9662   14.199   12.299  -3.4620   10.456   52.068   25.653   41.891   21.092 10.17732 33.21053 
1 1 1   -6   37   15 o   36.172   18.273  -8.9460   8.2216 -19.7808   12.784  -1.3035   10.737   37.830   19.418   42.705   21.486 -4.874870 28.96020 
1 1 1   -6   37   16 o   35.457   18.007 -11.2923   8.6981  -6.6267   12.913 -15.1669   11.768   41.308   21.069   37.753   19.324 3.555107 28.58897 
1 1 1   -6   37   17 o   36.373   18.589 -14.0772   10.501  -5.8360   21.394 -16.6930   12.053   43.428   22.410   37.174   19.065 6.254272 29.42270 
1 1 1   -6   37   18 o   41.142   21.102  -5.9916   14.799   6.4820   21.583 -17.0600   20.331   44.431   22.910   40.939   21.152 3.491970 31.18138 
1 1 1   -6   37   19 o   43.504   21.597   5.2832   9.3341  -2.1807   10.670   29.610   19.264   39.911   20.235   48.223   24.687 -8.312286 31.91997 
1 1 1   -6   37   20 o   44.109   22.016   8.1328   10.253   24.270   21.648   3.4657   11.642   44.996   23.190   41.687   21.136 3.309200 31.37653 
1 1 1   -6   37   21 o   40.122   20.077   2.9119   8.7735  -1.8720   21.475   3.8703   9.6122   40.371   20.907   40.760   20.483 -0.3891296 29.26887 
1 1 1   -6   37   22 o   35.798   18.165  -3.5560   8.7204 -11.6600   21.137  -1.8936   9.5732   38.212   19.816   37.040   18.820 1.171658 27.32854 
1 1 1   -6   38    1 o   48.432   23.608   6.4911   9.5970 -10.1089   12.202   33.410   15.539   40.944   20.846   60.755   29.707 -19.81071 36.29119 
1 1 1   -6   38    2 o   34.692   17.659 -14.9366   8.7237 -14.2401   10.671 -16.3400   15.148   37.831   19.282   41.282   21.186 -3.451469 28.64729 
1 1 1   -6   38    3 f   49.039   23.838   7.4758   9.5985   0.1620   11.930   20.900   16.163   44.755   22.534   53.121   26.677 -8.366451 34.91997 
1 1 1   -6   38    4 o   39.573   19.977  -6.9896   9.7228 -13.7310   12.424   3.6620   15.617   39.670   20.270   46.727   23.770 -7.056923 31.23914 
1 1 1   -6   38    5 o   50.410   24.507   9.9340   10.150 -12.5657   12.450   54.520   17.527   39.911   20.385   67.761   32.766 -27.84982 38.58922 
1 1 1   -6   38    6 o   36.013   18.180  -8.9770   8.0573   8.3734   11.481 -25.8174   11.311   48.422   24.024   34.724   17.847 13.69817 29.92779 
1 1 1   -6   38    7 f   37.423   18.809  -6.3605   8.1194  -3.7194   11.541  -8.9492   11.425   42.036   21.283   39.891   20.297 2.145554 29.40959 
1 1 1   -6   38    8 o   76.761   30.329   26.634   8.9172   22.188   12.787   30.845   12.442   55.483   27.090   63.726   29.880 -8.242622 40.33262 
1 1 1   -6   38    9 o   35.774   18.103  -9.1542   8.2763 -17.8151   11.706  -0.4988   11.703   36.847   18.890   42.908   21.690 -6.060757 28.76317 
1 1 1   -6   38   10 o   42.309   20.819   1.8851   8.0164   4.8173   11.544  -0.8462   11.141   44.984   22.584   42.191   21.308 2.793270 31.04946 
1 1 1   -6   38   11 o   38.371   19.259  -3.7707   8.3701 -10.5661   12.388   1.9377   11.354   39.052   19.977   43.165   21.765 -4.112679 29.54290 
1 1 1   -6   38   12 o   41.617   20.633   1.6676   8.4105   12.234   12.599  -6.8256   11.296   47.418   23.776   39.170   19.954 8.247963 31.03979 
1 1 1   -6   38   13 o   39.541   19.706  -0.4609   8.0820 -17.0576   12.179   12.599   10.804   36.443   18.719   48.176   23.793 -11.73314 30.27399 
1 1 1   -6   38   14 o   44.579   21.811   6.6728   8.4141   8.3890   11.799   4.8968   12.003   44.619   22.458   43.047   21.785 1.572433 31.28817 
1 1 1   -6   38   15 o   38.891   19.702  -2.1998   9.9771 -20.0900   20.642   3.2535   11.397   39.213   20.313   41.697   21.116 -2.484852 29.30019 
1 1 1   -6   38   16 o   42.897   21.756   8.1743   12.398   14.080   21.103   5.0620   15.320   42.889   22.137   41.688   21.389 1.200871 30.78151 
1 1 1   -6   38   17 o   36.070   18.472  -8.3751   10.874  -6.3940   13.035 -12.9100   19.721   37.744   19.386   38.530   19.956 -0.7852936 27.82214 
1 1 1   -6   38   18 o   30.134   15.498 -20.2681   8.9243 -12.9128   12.830 -27.1619   12.421   35.494   18.271   32.431   16.748 3.062729 24.78604 
1 1 1   -6   38   19 o   38.645   19.505   3.6847   9.2428   8.6750   13.116  -1.2377   13.027   40.104   20.518   37.472   19.253 2.631542 28.13643 
1 1 1   -6   38   20 o   35.176   18.059  -4.6847   11.125  -2.4580   21.729  -5.4759   12.952   37.223   19.322   35.619   18.337 1.603951 26.63792 
1 1 1   -6   39    1 o   46.817   22.716   8.9043   8.6081   18.989   12.693   0.3159   11.713   49.876   24.831   41.477   21.047 8.398884 32.55059 
1 1 1   -6   39    2 o   41.468   20.545   2.4459   8.2833  -3.6143   11.698   8.5406   11.731   39.934   20.339   44.999   22.615 -5.065598 30.41611 
1 1 1   -6   39    3 f   52.167   24.661   14.590   8.7882   20.835   12.347   8.1770   12.511   51.092   25.271   44.523   22.497 6.569260 33.83447 
1 1 1   -6   39    4 o   62.313   27.651   22.495   8.8998   27.294   12.432   17.451   12.746   55.001   26.824   48.509   24.263 6.492115 36.16933 
1 1 1   -6   39    5 o   43.506   21.356   5.5890   8.2750   17.295   12.033  -4.9139   11.398   48.858   24.300   38.956   19.862 9.902493 31.38459 
1 1 1   -6   39    6 o   37.207   18.710  -3.0837   8.0902   2.1912   12.161  -7.2714   10.836   41.573   21.131   37.605   19.191 3.967659 28.54507 
1 1 1   -6   39    7 o   51.636   24.607   15.908   9.1001   29.282   13.154   3.6341   12.602   53.415   26.357   41.879   21.309 11.53598 33.89354 
1 1 1   -6   39    8 o   41.447   20.697   3.8447   9.1011  -5.7387   13.141   12.678   12.617   38.874   19.935   45.052   22.744 -6.177822 30.24410 
1 1 1   -6   39    9 o   41.402   20.632   4.3245   8.8510   9.8883   12.801  -0.7720   12.252   43.424   22.032   39.709   20.276 3.715160 29.94239 
1 1 1   -6   39   10 o   44.082   21.588   8.2565   8.3026   1.6757   12.178   13.972   11.349   40.118   20.461   45.502   22.779 -5.384022 30.61942 
1 1 1   -6   39   11 o   36.905   18.723  -2.9198   9.2297   34.330   18.827 -14.7049   10.590   45.984   23.601   33.928   17.428 12.05617 29.33814 
1 1 1   -6   39   12 o   31.568   16.224 -17.8622   9.4479  -9.6130   17.200 -21.4265   11.306   37.854   19.554   32.671   16.834 5.182995 25.80218 
1 1 1   -6   39   13 o   39.779   20.361   5.4487   13.063   4.6560   17.311   6.4970   19.907   39.519   20.384   39.739   20.550 -0.2199287 28.94453 
1 1 1   -6   39   14 o   41.215   20.767   9.4529   10.237   9.9946   11.995   8.0000   19.643   40.736   20.733   39.257   20.320 1.479385 29.03039 
1 1 1   -6   39   15 o   35.020   17.730  -1.4746   8.0041  -3.0647   10.450   0.7827   12.450   35.569   18.207   37.174   19.086 -1.604122 26.37727 
1 1 1   -6   39   16 o   34.610   17.532  -1.0064   7.8925   12.184   10.486 -18.2416   11.987   40.618   20.533   32.215   16.630 8.403522 26.42244 
1 1 1   -6   39   17 o   37.931   19.055   6.4323   8.2832   13.617   12.076   0.0494   11.383   39.217   20.034   35.361   18.160 3.855850 27.03973 
1 1 1   -6   40    1 o   31.654   16.166 -10.2244   7.8164 -10.8115   10.437  -9.4743   11.796   34.103   17.507   35.344   18.166 -1.240631 25.22889 
1 1 1   -6   40    2 o   40.679   20.288   6.4928   8.6349   6.6010   11.918   6.3732   12.528   40.016   20.395   39.869   20.370 0.1470642 28.82488 
1 1 1   -6   40    3 o   38.226   19.260   2.5566   8.8006  -2.0827   12.515   7.0952   12.378   37.346   19.172   39.987   20.415 -2.641075 28.00603 
1 1 1   -6   40    4 o   34.261   17.449  -5.3688   8.6026  -6.6318   12.768  -4.3188   11.642   36.181   18.605   36.336   18.643 -0.1546516 26.33798 
1 1 1   -6   40    5 o   36.914   18.610   0.9539   8.2827   11.832   12.433  -7.7252   11.106   41.126   20.949   34.993   17.970 6.132938 27.60009 
1 1 1   -6   40    6 f   37.542   18.896   2.4577   8.3557   2.5770   11.614   2.3297   12.031   37.946   19.405   37.902   19.411 0.4396057E-01 27.44745 
1 1 1   -6   40    7 o   36.444   18.595  -0.3320   10.132 -11.5400   17.545   5.2759   12.411   36.043   18.673   38.459   19.698 -2.416302 27.14201 
1 1 1   -6   40    8 o   34.068   17.449  -5.9661   9.7447   8.4220   16.058 -14.3530   12.260   38.509   19.852   33.455   17.251 5.053608 26.30071 
1 1 1   -6   40    9 f   35.233   18.121  -4.5000   12.210 -17.5300   16.083   13.230   18.761   34.292   17.770   38.491   19.913 -4.198868 26.68869 
1 1 1   -6   40   10 f   33.224   17.026  -6.0312   9.4052  -2.9061   11.263 -13.2300   17.095   34.959   17.958   34.714   17.998 0.2443619 25.42490 
1 1 1   -6   40   11 o   39.324   19.819   10.099   9.3566   1.1240   11.407   28.560   16.359   35.618   18.286   40.501   20.838 -4.882572 27.72351 
1 1 1   -6   40   12 o   41.630   20.710   14.192   8.7627   16.329   12.517   12.137   12.271   39.071   19.994   37.976   19.461 1.094398 27.90104 
1 1 1   -6   40   13 o   33.325   17.033  -1.1604   8.8311 -13.9087   12.624   11.058   12.359   31.884   16.480   36.950   18.974 -5.066793 25.13140 
1 1 1   -6   41    1 o   32.504   16.710  -5.4143   10.211   7.4060   18.211 -11.2939   12.333   35.465   18.391   32.142   16.602 3.322990 24.77666 
1 1 1   -6   41    2 o   32.780   16.924  -7.6842   12.512 -11.8500   17.524  -3.3520   17.871   33.359   17.318   34.249   17.773 -0.8895721 24.81451 
1 1 1   -6   41    3 o   34.938   17.961   3.8374   11.791   5.3960   16.032   2.0010   17.403   35.094   18.171   34.672   17.980 0.4218292 25.56267 
1 1 1   -6   41    4 o   38.128   19.493   15.963   11.642   10.050   16.734   21.510   16.207   35.478   18.376   37.217   19.217 -1.739330 26.58863 
1 1 1   -6   41    5 o   34.508   17.623   3.5159   9.2800   5.9777   11.759  -0.5489   15.110   35.065   18.021   33.884   17.547 1.181534 25.15258 
1 1 1   -6   41    6 o   33.064   16.972  -0.2698   9.7716   0.6513   11.717  -2.3740   17.709   33.575   17.292   33.591   17.437 -0.1520920E-01 24.55734 
1 1 1   -6   41    7 o   33.926   17.318   3.4256   8.8700  -1.2990   13.044   7.4893   12.097   33.048   17.070   34.770   17.891 -1.722160 24.72808 
1 1 1   -6   41    8 o   35.448   18.093   8.9989   9.6630  -5.3099   13.937   22.246   13.410   32.225   16.693   37.156   19.104 -4.930130 25.36989 
1 1 1   -5    0    1 o  1547.49   22.104  3109.02   88.564  3109.02   88.564  3109.02   88.564  1547.49   22.104  1547.49   22.104 -0.000000 0.000000 
1 1 1   -5    0    2 o  155.134   11.457   31.692   4.5462   31.692   4.5462   31.692   4.5462  155.134   11.457  155.134   11.457 -0.000000 0.000000 
1 1 1   -5    0    3 o  877.588   14.911  999.176   33.874  999.176   33.874  999.176   33.874  877.588   14.911  877.588   14.911 -0.000000 0.000000 
1 1 1   -5    0    4 o  785.140   14.100  799.777   28.654  799.777   28.654  799.777   28.654  785.140   14.100  785.140   14.100 0.000000 0.000000 
1 1 1   -5    0    5 o  849.596   14.725  936.514   32.383  936.514   32.383  936.514   32.383  849.596   14.725  849.596   14.725 -0.000000 0.000000 
1 1 1   -5    0    6 o  602.249   12.714  470.704   19.813  470.704   19.813  470.704   19.813  602.249   12.714  602.249   12.714 -0.000000 0.000000 
1 1 1   -5    0    7 o  191.666   12.365   48.202   6.0802   48.202   6.0802   48.202   6.0802  191.666   12.365  191.666   12.365 0.000000 0.000000 
1 1 1   -5    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    0    9 o  264.921   12.219   91.552   8.3446   91.552   8.3446   91.552   8.3446  264.921   12.219  264.921   12.219 -0.000000 0.000000 
1 1 1   -5    0   10 o  521.907   12.549  353.760   16.943  353.760   16.943  353.760   16.943  521.907   12.549  521.907   12.549 -0.000000 0.000000 
1 1 1   -5    0   11 o  430.534   12.314  240.955   13.707  240.955   13.707  240.955   13.707  430.534   12.314  430.534   12.314 -0.000000 0.000000 
1 1 1   -5    0   12 o  593.332   18.540  459.000   28.431  459.000   28.431  459.000   28.431  593.332   18.540  593.332   18.540 -0.000000 0.000000 
1 1 1   -5    0   13 o  515.962   18.339  347.700   24.440  347.700   24.440  347.700   24.440  515.962   18.339  515.962   18.339 0.000000 0.000000 
1 1 1   -5    0   14 o  353.149   12.743  162.552   11.623  162.552   11.623  162.552   11.623  353.149   12.743  353.149   12.743 0.000000 0.000000 
1 1 1   -5    0   15 f  272.434   13.009   97.010   9.1327   97.010   9.1327   97.010   9.1327  272.434   13.009  272.434   13.009 -0.000000 0.000000 
1 1 1   -5    0   16 o  173.032   17.149   40.028   7.5130   40.028   7.5130   40.028   7.5130  173.032   17.149  173.032   17.149 -0.000000 0.000000 
1 1 1   -5    0   17 o  947.859   16.184  1167.18   39.710  1167.18   39.710  1167.18   39.710  947.859   16.184  947.859   16.184 -0.000000 0.000000 
1 1 1   -5    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    0   19 o  681.554   14.244  603.089   25.123  603.089   25.123  603.089   25.123  681.554   14.244  681.554   14.244 -0.000000 0.000000 
1 1 1   -5    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    0   21 o  107.787   39.887   20.272   10.331   20.272   10.331   20.272   10.331  107.787   39.887  107.787   39.887 -0.000000 0.000000 
1 1 1   -5    0   22 o  1463.57   21.825  2783.68   82.698  2783.68   82.698  2783.68   82.698  1463.57   21.825  1463.57   21.825 -0.000000 0.000000 
1 1 1   -5    0   23 o  1055.19   17.588  1446.10   48.042  1446.10   48.042  1446.10   48.042  1055.19   17.588  1055.19   17.588 0.000000 0.000000 
1 1 1   -5    0   24 o  715.984   14.945  665.879   27.689  665.879   27.689  665.879   27.689  715.984   14.945  715.984   14.945 0.000000 0.000000 
1 1 1   -5    0   25 o  783.385   15.563  797.358   31.553  797.358   31.553  797.358   31.553  783.385   15.563  783.385   15.563 -0.000000 0.000000 
1 1 1   -5    0   26 o  686.796   15.117  613.128   26.864  613.128   26.864  613.128   26.864  686.796   15.117  686.796   15.117 -0.000000 0.000000 
1 1 1   -5    0   27 o  285.072   17.077  106.717   12.506  106.717   12.506  106.717   12.506  285.072   17.077  285.072   17.077 -0.000000 0.000000 
1 1 1   -5    0   28 o  409.840   22.041  220.800   23.244  220.800   23.244  220.800   23.244  409.840   22.041  409.840   22.041 0.000000 0.000000 
1 1 1   -5    0   29 o  354.504   15.564  164.326   14.229  164.326   14.229  164.326   14.229  354.504   15.564  354.504   15.564 -0.000000 0.000000 
1 1 1   -5    0   30 o   41.037   27.482  -2.8547   8.1288  -2.8547   8.1288  -2.8547   8.1288   41.037   27.482   41.037   27.482 -0.000000 0.000000 
1 1 1   -5    0   31 o  496.377   15.284  321.856   19.610  321.856   19.610  321.856   19.610  496.377   15.284  496.377   15.284 -0.000000 0.000000 
1 1 1   -5    0   32 o  269.652   19.094   96.624   13.183   96.624   13.183   96.624   13.183  269.652   19.094  269.652   19.094 -0.000000 0.000000 
1 1 1   -5    0   33 o  170.943   24.099   40.781   10.061   40.781   10.061   40.781   10.061  170.943   24.099  170.943   24.099 0.000000 0.000000 
1 1 1   -5    0   34 o   74.975   39.799   11.398   10.416   11.398   10.416   11.398   10.416   74.975   39.799   74.975   39.799 0.000000 0.000000 
1 1 1   -5    0   35 o   65.546   37.068   8.2228   9.6730   8.2228   9.6730   8.2228   9.6730   65.546   37.068   65.546   37.068 -0.000000 0.000000 
1 1 1   -5    0   36 o  243.397   18.932   79.744   11.770   79.744   11.770   79.744   11.770  243.397   18.932  243.397   18.932 0.000000 0.000000 
1 1 1   -5    0   37 o   42.810   30.692 -22.6000   16.011 -22.6000   16.011 -22.6000   16.011   42.810   30.692   42.810   30.692 0.000000 0.000000 
1 1 1   -5    0   38 o   58.477   35.990   5.2383   10.600   5.2383   10.600   5.2383   10.600   58.477   35.990   58.477   35.990 -0.000000 0.000000 
1 1 1   -5    0   39 o   72.639   38.402   11.692   9.6685   11.692   9.6685   11.692   9.6685   72.639   38.402   72.639   38.402 0.000000 0.000000 
1 1 1   -5    0   40 o   26.173   19.291 -27.0177   9.4958 -27.0177   9.4958 -27.0177   9.4958   26.173   19.291   26.173   19.291 0.000000 0.000000 
1 1 1   -5    0   41 o   86.894   40.877   17.099   10.353   17.099   10.353   17.099   10.353   86.894   40.877   86.894   40.877 -0.000000 0.000000 
1 1 1   -5    0   42 o   52.789   33.481   4.0333   9.9203   4.0333   9.9203   4.0333   9.9203   52.789   33.481   52.789   33.481 0.000000 0.000000 
1 1 1   -5    0   43 o   91.778   43.801   20.884   11.930   20.884   11.930   20.884   11.930   91.778   43.801   91.778   43.801 -0.000000 0.000000 
1 1 1   -5    0   44 o  295.245   21.074  124.823   15.928  124.823   15.928  124.823   15.928  295.245   21.074  295.245   21.074 -0.000000 0.000000 
1 1 1   -5    0   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    0   46 o  236.083   22.552   83.991   13.502   83.991   13.502   83.991   13.502  236.083   22.552  236.083   22.552 -0.000000 0.000000 
1 1 1   -5    0   47 o   70.873   41.879   17.877   13.211   17.877   13.211   17.877   13.211   70.873   41.879   70.873   41.879 0.000000 0.000000 
1 1 1   -5    0   48 o   73.609   42.840   21.026   13.471   21.026   13.471   21.026   13.471   73.609   42.840   73.609   42.840 -0.000000 0.000000 
1 1 1   -5    0   49 o  134.312   41.922   42.538   12.789   42.538   12.789   42.538   12.789  134.312   41.922  134.312   41.922 -0.000000 0.000000 
1 1 1   -5    1    1 o  1692.71   23.829  3726.26  104.482   0.0000   0.0000  3726.26  104.482  ?   ?   1692.71   23.829 0.000000 23.82900 
1 1 1   -5    1    2 o  983.842   15.954  1255.97   40.659   0.0000   0.0000  1255.97   40.659  ?   ?   983.842   15.954 0.000000 15.95424 
1 1 1   -5    1    3 o  1297.93   13.651  2184.87   45.896  2112.22   62.826  2268.01   67.210  1275.33   19.018  1321.41   19.636 -46.07788 27.33591 
1 1 1   -5    1    4 o  503.110   8.4085  328.006   10.958  328.761   15.506  327.252   15.488  503.553   11.888  502.395   11.902 1.158295 16.82158 
1 1 1   -5    1    5 o  949.732   11.096  1169.36   27.298  1129.76   37.579  1213.60   39.721  933.075   15.548  967.037   15.857 -33.96271 22.20806 
1 1 1   -5    1    6 o  306.029   8.0919  121.362   6.4145  117.128   9.0550  125.627   9.0882  300.556   11.631  311.280   11.271 -10.72385 16.19631 
1 1 1   -5    1    7 o  578.845   8.9187  434.265   13.373  424.102   18.687  444.932   19.144  571.828   12.616  585.702   12.619 -13.87451 17.84381 
1 1 1   -5    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    1    9 o  756.682   9.9653  742.372   19.532  733.856   27.407  751.161   27.844  751.922   14.071  760.729   14.130 -8.806763 19.94172 
1 1 1   -5    1   10 o  776.568   10.132  782.091   20.382  777.231   28.673  787.054   28.977  773.640   14.308  778.505   14.370 -4.864685 20.27827 
1 1 1   -5    1   11 o  324.315   9.9111  136.441   8.3260  136.923   10.240  135.500   14.302  324.757   12.173  322.230   17.197 2.526855 21.06914 
1 1 1   -5    1   12 o  142.891   13.650   26.789   4.9909   24.403   6.2231   31.090   8.3555  135.605   18.174  152.684   21.740 -17.07874 28.33606 
1 1 1   -5    1   13 o  507.750   10.355  334.860   13.619  330.900   23.596  336.838   16.677  503.263   18.100  508.890   12.652 -5.626404 22.08383 
1 1 1   -5    1   14 o  443.982   10.278  256.079   11.820  257.500   21.239  255.441   14.226  443.710   18.479  443.124   12.394 0.5868225 22.25100 
1 1 1   -5    1   15 o  408.456   8.8459  216.522   9.3592  217.832   13.400  215.274   13.077  409.254   12.641  406.874   12.408 2.379578 17.71315 
1 1 1   -5    1   16 o  611.141   9.5419  484.619   15.105  493.629   21.786  476.278   20.962  616.205   13.649  605.324   13.369 10.88049 19.10543 
1 1 1   -5    1   17 o  879.737   11.012  1004.22   25.095  997.360   35.430  1011.13   35.549  875.907   15.616  881.946   15.561 -6.038513 22.04524 
1 1 1   -5    1   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    1   19 o  731.848   10.327  694.431   19.577  705.348   28.033  684.039   27.351  737.174   14.681  725.968   14.545 11.20630 20.66566 
1 1 1   -5    1   20 o  716.904   10.384  666.324   19.283  647.305   27.009  686.098   27.540  706.232   14.764  727.100   14.623 -20.86859 20.77988 
1 1 1   -5    1   21 o  935.146   11.776  1134.09   28.526  1128.16   40.357  1140.02   40.328  932.078   16.715  936.979   16.616 -4.900940 23.56884 
1 1 1   -5    1   22 o  811.460   11.050  853.857   23.226  839.297   32.569  868.922   33.130  804.019   15.638  818.087   15.634 -14.06732 22.11301 
1 1 1   -5    1   23 o  590.993   10.121  452.874   15.494  452.263   22.104  453.465   21.725  590.245   14.457  591.054   14.190 -0.8088379 20.25751 
1 1 1   -5    1   24 o  239.816   12.674   74.842   7.8450   72.585   11.491   76.812   10.736  235.453   19.003  242.483   17.205 -7.029434 25.63435 
1 1 1   -5    1   25 f  765.542   10.825  760.270   21.465  738.243   29.989  783.409   30.737  753.747   15.360  776.475   15.282 -22.72791 21.66711 
1 1 1   -5    1   26 o  724.495   10.729  681.058   20.136  668.922   28.238  693.612   28.721  717.354   15.197  730.476   15.179 -13.12195 21.47859 
1 1 1   -5    1   27 o  553.451   12.136  397.779   17.398  376.600   28.946  409.758   21.770  537.124   20.805  561.331   14.972 -24.20642 25.63195 
1 1 1   -5    1   28 o  482.289   15.725  302.832   19.645  332.100   28.691  277.000   26.954  503.809   21.985  459.983   22.622 43.82544 31.54498 
1 1 1   -5    1   29 o   61.059   25.553   0.9355   6.7764   3.0542   9.2577  -1.5100   9.9459   74.732   30.424   68.619   29.878 6.113556 42.64167 
1 1 1   -5    1   30 o  166.877   17.295   36.775   7.3675   31.902   11.291   40.389   9.7227  152.476   29.654  173.979   22.071 -21.50302 36.96624 
1 1 1   -5    1   31 f  232.556   14.739   70.896   8.8326   62.289   12.679   79.011   12.312  216.004   23.015  244.471   19.607 -28.46716 30.23430 
1 1 1   -5    1   32 o  216.880   15.408   61.892   8.5994   56.710   12.212   66.989   12.112  205.440   23.364  224.188   21.105 -18.74719 31.48453 
1 1 1   -5    1   33 f  169.722   16.237   38.185   7.0511   27.624   9.9102   49.012   10.034  140.723   28.170  191.265   20.578 -50.54163 34.88548 
1 1 1   -5    1   34 o  216.492   15.214   61.897   8.4773   63.968   12.199   59.963   11.789  217.896   21.910  210.904   21.899 6.992615 30.97784 
1 1 1   -5    1   35 o  232.544   14.130   71.311   8.4708   67.292   12.560   74.665   11.473  223.042   22.028  236.334   18.899 -13.29219 29.02409 
1 1 1   -5    1   36 o  144.904   28.575   29.890   10.345   29.890   10.345   0.0000   0.0000  144.904   28.575  ?   ?  0.000000 28.57549 
1 1 1   -5    1   37 o  145.537   32.172   31.147   11.806   24.070   15.813   40.060   17.746  125.686   41.662  159.502   42.271 -33.81615 59.35159 
1 1 1   -5    1   38 o  220.807   14.821   65.000   8.4277   69.757   12.405   60.922   11.485  225.326   21.516  210.552   21.354 14.77386 30.31328 
1 1 1   -5    1   39 o  125.798   24.461   22.709   7.6837   14.337   11.303   29.902   10.477   99.471   35.155  142.036   29.444 -42.56472 45.85614 
1 1 1   -5    1   40 o  146.810   21.288   30.275   7.8593   43.833   10.988   16.076   11.246  174.755   24.986  102.660   35.140 72.09499 43.11729 
1 1 1   -5    1   41 o  124.275   24.365   22.521   7.5631   27.980   11.226   17.986   10.234  133.396   32.735  106.895   33.343 26.50104 46.72583 
1 1 1   -5    1   42 o   98.443   29.491   14.988   8.1116   25.985   11.597   4.4526   11.350  126.059   34.507   76.794   32.650 49.26570 47.50563 
1 1 1   -5    1   43 o  259.774   14.205   91.280   9.5222   91.785   13.550   90.787   13.384  254.518   20.734  253.286   20.578 1.232330 29.21178 
1 1 1   -5    1   44 o  156.607   19.620   35.030   7.7843   43.114   11.452   28.086   10.613  167.130   27.403  130.500   31.709 36.63057 41.90887 
1 1 1   -5    1   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    1   46 o   70.706   29.599   5.7346   9.0963   8.1150   12.884   3.3688   12.844   79.687   34.350   73.028   32.756 6.658897 47.46432 
1 1 1   -5    1   47 f   71.561   28.525   7.2899   7.9531  -5.4140   12.261   16.517   10.450   61.145   28.972   93.950   33.738 -32.80532 44.47026 
1 1 1   -5    1   48 o   79.754   29.986   10.973   8.4097   9.6974   11.236   12.599   12.682   77.935   32.775   83.381   34.930 -5.446289 47.89932 
1 1 1   -5    1   49 o   94.709   31.395   17.416   8.9797   13.853   11.965   22.012   13.588   83.199   34.310   96.744   37.672 -13.54453 50.95450 
1 1 1   -5    2    1 o  1347.22   14.042  2354.12   49.002  2231.54   65.816  2506.59   73.403  1310.81   19.384  1389.03   20.401 -78.22839 28.14130 
1 1 1   -5    2    2 o  2167.33   20.878  6103.63  117.212  6083.90  165.224  6123.61  166.306  2160.32   29.526  2167.31   29.624 -6.991455 41.82512 
1 1 1   -5    2    3 o  1342.28   13.995  2336.96   48.658  2332.29   68.681  2341.66   68.945  1339.94   19.788  1342.62   19.824 -2.681641 28.01021 
1 1 1   -5    2    4 f  759.322   9.8005  747.307   19.276  760.533   27.568  734.655   26.964  765.721   13.899  752.587   13.832 13.13452 19.60869 
1 1 1   -5    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    2    6 o  481.577   8.4518  300.550   10.543  304.915   15.027  296.318   14.796  484.913   11.963  478.028   11.949 6.884430 16.90871 
1 1 1   -5    2    7 o  1017.80   13.413  1343.88   35.363  1320.00   60.290  1356.41   43.662  1007.08   23.112  1022.10   16.492 -15.02032 28.39217 
1 1 1   -5    2    8 o   98.394   28.098   12.940   7.5163   12.940   7.5163   0.0000   0.0000   98.394   28.098  ?   ?  0.000000 28.09772 
1 1 1   -5    2    9 o  757.258  10.0000  743.537   19.616  733.404   27.506  754.026   27.983  751.654   14.127  762.142   14.174 -10.48834 20.01231 
1 1 1   -5    2   10 o  612.384   10.656  486.448   16.903  487.395   20.789  484.600   29.036  612.739   13.098  610.295   18.367 2.443909 22.55903 
1 1 1   -5    2   11 o  248.362   10.504   80.040   6.7578   80.911   8.3525   78.390   11.499  249.251   12.982  244.653   18.276 4.597519 22.41765 
1 1 1   -5    2   12 o  573.953   12.997  428.269   19.322   0.0000   0.0000  428.269   19.322  ?   ?   573.953   12.997 0.000000 12.99659 
1 1 1   -5    2   13 o   45.876   18.649   1.0864   3.4717  -2.4401   5.1760   3.9704   4.6808   46.182   20.749   61.340   22.499 -15.15823 30.60573 
1 1 1   -5    2   14 o  401.108   10.316  209.014   10.718  231.000   19.605  199.641   12.801  420.362   18.005  391.714   12.616 28.64743 21.98494 
1 1 1   -5    2   15 o  213.394   11.656   59.357   6.4186   60.530   11.855   58.871   7.6342  213.840   21.704  212.219   13.966 1.620636 25.80887 
1 1 1   -5    2   16 o  488.059   9.2050  309.017   11.637  305.988   16.596  311.947   16.323  485.238   13.203  489.983   12.861 -4.745026 18.43164 
1 1 1   -5    2   17 o   84.837   20.548   9.7538   4.4677   11.476   6.7868   8.4365   5.9350   92.661   26.772   80.817   25.421 11.84334 36.91857 
1 1 1   -5    2   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    2   19 o  1336.83   14.278  2319.29   49.440  2308.35   69.700  2330.38   70.140  1332.31   20.196  1338.65   20.228 -6.333862 28.58420 
1 1 1   -5    2   20 o  817.558   10.888  866.651   23.059  849.444   32.437  884.229   32.785  808.939   15.480  825.353   15.335 -16.41431 21.79005 
1 1 1   -5    2   21 o  726.889   10.767  685.070   20.273  693.487   29.065  677.095   28.291  730.926   15.351  722.260   15.122 8.666199 21.54835 
1 1 1   -5    2   22 o  714.945   10.547  662.758   19.532  651.120   27.353  674.865   27.899  708.242   14.910  721.037   14.938 -12.79498 21.10530 
1 1 1   -5    2   23 f  189.389   12.863   46.755   6.2730   54.539   9.3966   40.497   8.4253  204.057   17.960  175.483   18.830 28.57414 26.02166 
1 1 1   -5    2   24 o  334.961   10.944  145.533   9.4951  144.485   13.642  146.517   13.224  333.481   15.793  335.858   15.200 -2.376221 21.91952 
1 1 1   -5    2   25 o  615.489   10.407  491.389   16.592  504.024   24.059  479.932   22.911  622.849   14.913  607.827   14.552 15.02246 20.83610 
1 1 1   -5    2   26 o  437.511   10.567  248.358   11.976  250.949   17.551  246.100   16.382  439.342   15.423  435.170   14.533 4.172180 21.19125 
1 1 1   -5    2   27 o  434.145   12.149  244.778   13.662  260.100   23.305  236.756   16.863  446.463   20.152  426.636   15.259 19.82690 25.27733 
1 1 1   -5    2   28 o  420.237   16.263  230.023   17.703  243.300   26.916  219.900   23.502  430.050   24.261  409.293   22.252 20.75717 32.92008 
1 1 1   -5    2   29 o  691.262   10.836  620.736   19.402  605.816   27.428  635.680   27.450  681.829   15.530  698.530   15.171 -16.70111 21.71000 
1 1 1   -5    2   30 o  485.318   10.632  306.122   13.365  293.585   19.300  317.675   18.527  474.297   15.709  493.652   14.489 -19.35605 21.37043 
1 1 1   -5    2   31 o  184.875   17.047   45.128   8.0714   34.806   11.809   54.178   11.057  158.887   29.788  201.659   21.500 -42.77242 36.73622 
1 1 1   -5    2   32 o  557.909   10.729  405.326   15.505  390.064   21.931  420.576   21.923  545.695   15.515  566.872   14.930 -21.17731 21.53197 
1 1 1   -5    2   33 o  194.994   15.522   50.217   7.7753   50.973   11.004   49.463   10.988  194.531   22.237  191.478   22.589 3.052902 31.69769 
1 1 1   -5    2   34 o  108.522   25.934   16.521   7.1908   22.591   10.458   11.078   9.9031  125.591   32.043   93.449   32.919 32.14217 45.93949 
1 1 1   -5    2   35 o  158.077   18.593   33.609   7.4678   28.700   11.558   37.128   9.7846  141.008   32.333  164.477   23.646 -23.46939 40.05656 
1 1 1   -5    2   36 o  154.680   23.003   32.982   8.9362   15.890   13.875   45.096   11.682  108.326   38.879  180.068   25.780 -71.74203 46.64941 
1 1 1   -5    2   37 o  159.976   31.087   37.234   12.418   22.240   18.701   49.060   16.608  122.900   44.988  180.609   36.751 -57.70924 58.09066 
1 1 1   -5    2   38 o  153.964   18.236   32.269   7.1314   25.808   9.9420   39.117   10.235  132.368   29.724  166.744   24.420 -34.37523 38.46872 
1 1 1   -5    2   39 o   83.584   28.616   9.6744   7.4574   1.9927   9.9661   19.447   11.241   71.129   30.426  112.293   34.932 -41.16422 46.32480 
1 1 1   -5    2   40 o  135.009   21.406   25.711   7.2361   22.809   10.488   28.349   9.9966  121.065   32.682  137.583   28.966 -16.51772 43.67096 
1 1 1   -5    2   41 o   74.603   28.043   6.9732   7.3542   2.7163   10.355   11.305   10.446   72.267   30.967   89.759   33.484 -17.49226 45.60817 
1 1 1   -5    2   42 o  118.465   26.369   21.116   7.8834   15.875   10.687   27.372   11.676  100.024   34.256  129.532   34.270 -29.50806 48.45502 
1 1 1   -5    2   43 o  300.595   19.773  126.977   15.310   0.0000   0.0000  126.977   15.310  ?   ?   300.595   19.773 0.000000 19.77290 
1 1 1   -5    2   44 o   90.292   30.839   13.106   8.6609   15.366   12.392   10.948   12.109   95.717   36.306   86.842   34.995 8.874420 50.42582 
1 1 1   -5    2   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    2   46 f   77.483   28.454   9.4064   7.4895  -2.2560   9.2520   31.576   12.756   58.014   26.705  128.933   36.530 -70.91900 45.24992 
1 1 1   -5    2   47 o  112.660   30.734   22.419   9.2177   28.771   12.743   15.449   13.349  119.522   37.194   90.083   36.588 29.43839 52.17390 
1 1 1   -5    2   48 o  111.537   29.536   22.032   8.6684   19.821   13.378   23.633   11.381   95.809   37.359  107.864   35.325 -12.05507 51.41521 
1 1 1   -5    2   49 o   97.483   31.314   18.427   8.9679   17.791   13.542   18.924   11.968   88.990   36.577   92.802   35.564 -3.811760 51.01665 
1 1 1   -5    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    3    2 o  1117.39   12.271  1618.97   35.517  1588.24   49.423  1651.78   51.075  1106.11   17.250  1127.99   17.481 -21.87341 24.55853 
1 1 1   -5    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    3    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    3    6 o  194.082   12.194   49.043   6.0990   49.043   6.0990   0.0000   0.0000  194.082   12.194  ?   ?  0.000000 12.19379 
1 1 1   -5    3    7 o  688.230   13.350  614.512   23.799  621.400   33.877  607.800   33.442  691.482   18.914  683.877   18.878 7.604431 26.72310 
1 1 1   -5    3    8 o  493.304   12.548  315.702   16.034  315.300   22.730  316.100   22.622  492.572   17.815  493.206   17.707 -0.6345215 25.11770 
1 1 1   -5    3    9 o  298.057   9.7257  115.190   7.5088  117.170   9.3524  111.600   12.596  300.517   12.014  292.579   16.689 7.938507 20.56369 
1 1 1   -5    3   10 o  490.847   10.105  312.506   12.848  310.189   15.817  317.000   22.027  488.832   12.492  493.666   17.226 -4.833435 21.27842 
1 1 1   -5    3   11 o  537.360   9.0223  374.554   12.558  360.085   17.494  389.937   18.039  526.470   12.828  547.874   12.711 -21.40411 18.05919 
1 1 1   -5    3   12 o  293.648   8.9743  111.897   6.8262  115.642   9.6269  108.110   9.6806  298.253   12.461  288.333   12.962 9.919769 17.97992 
1 1 1   -5    3   13 o  177.157   10.536   40.919   4.8132   42.352   6.9177   39.574   6.7011  179.645   15.003  173.604   15.051 6.040268 21.25151 
1 1 1   -5    3   14 o  360.869   9.0561  169.059   8.4653  165.213   12.046  172.812   11.899  356.292   13.052  364.453   12.605 -8.160614 18.14452 
1 1 1   -5    3   15 o  178.103   13.362   41.492   6.1197   57.990   12.271   36.030   7.0605  209.027   23.046  165.401   16.709 43.62627 28.46565 
1 1 1   -5    3   16 o  431.269   10.665  241.400   11.914  237.000   20.788  243.552   14.538  426.366   18.823  432.967   12.963 -6.601929 22.85468 
1 1 1   -5    3   17 o  732.317   11.698  695.904   22.189  752.000   39.918  670.820   26.693  759.804   20.282  718.652   14.340 41.15173 24.83951 
1 1 1   -5    3   18 o  492.253   19.766  315.200   25.204  315.200   25.204   0.0000   0.0000  492.253   19.766  ?   ?  0.000000 19.76646 
1 1 1   -5    3   19 o  911.058   16.017  1077.74   37.799  1077.74   37.799   0.0000   0.0000  911.058   16.017  ?   ?  0.000000 16.01731 
1 1 1   -5    3   20 o  563.407   9.9051  411.500   14.455  423.599   20.850  400.302   20.059  571.358   14.088  555.435   13.942 15.92316 19.82050 
1 1 1   -5    3   21 o  667.466   10.539  577.620   18.221  588.974   26.277  567.105   25.288  673.620   15.060  661.023   14.769 12.59711 21.09310 
1 1 1   -5    3   22 o  649.180   10.188  546.408   17.131  571.786   24.873  523.503   23.630  663.723   14.467  635.091   14.364 28.63141 20.38695 
1 1 1   -5    3   23 o  419.870   10.178  228.594   11.070  237.988   15.899  219.757   15.421  428.160   14.336  411.424   14.470 16.73508 20.36915 
1 1 1   -5    3   24 o  317.495   10.853  130.753   8.9258  131.753   12.835  129.816   12.421  318.454   15.560  316.128   15.169 2.325806 21.72993 
1 1 1   -5    3   25 o  562.885   14.320  411.574   20.879   0.0000   0.0000  411.574   20.879  ?   ?   562.885   14.320 0.000000 14.32004 
1 1 1   -5    3   26 o  246.430   12.703   79.069   8.0808   77.996   10.938   80.358   11.990  244.181   17.407  247.663   18.831 -3.481476 25.64444 
1 1 1   -5    3   27 o  679.152   14.847  599.878   26.119  615.300   36.963  584.500   36.911  686.458   20.788  668.920   21.303 17.53772 29.76457 
1 1 1   -5    3   28 o  447.798   12.632  260.622   14.652  314.800   28.439  241.044   17.096  490.309   22.392  430.293   15.338 60.01590 27.14143 
1 1 1   -5    3   29 o  197.247   16.020   51.057   8.1143   57.466   12.052   45.743   10.974  208.047   22.733  185.202   23.398 22.84547 32.62349 
1 1 1   -5    3   30 o  151.324   20.140   30.548   7.6983   41.051   11.489   21.991   10.371  174.313   26.260  125.893   31.795 48.41992 41.23695 
1 1 1   -5    3   31 o  434.859   10.833  246.055   12.203  233.158   17.612  257.964   16.923  422.128   16.107  444.393   14.702 -22.26498 21.80732 
1 1 1   -5    3   32 o  111.549   25.885   17.271   7.3350   8.2615   10.387   26.235   10.360   88.316   33.300  136.900   30.040 -48.58349 44.84767 
1 1 1   -5    3   33 o  174.293   16.805   40.337   7.4930   42.892   10.547   37.732   10.648  177.784   23.476  165.857   25.609 11.92659 34.74074 
1 1 1   -5    3   34 o  225.262   14.255   66.861   8.2746   75.445   11.881   58.775   11.531  237.645   19.471  208.794   21.635 28.85037 29.10666 
1 1 1   -5    3   35 o  242.173   13.999   77.326   8.7439   73.154   12.544   81.270   12.195  232.957   21.014  246.383   19.261 -13.42535 28.50590 
1 1 1   -5    3   36 o  182.794   23.045   45.872   10.669   32.240   14.263   63.190   16.076  146.418   37.455  211.024   30.277 -64.60623 48.16225 
1 1 1   -5    3   37 o  148.339   31.011   32.163   11.532   28.650   19.441   34.070   14.325  134.586   46.199  149.453   37.161 -14.86697 59.28970 
1 1 1   -5    3   38 o  105.536   27.620   16.283   7.6381   19.719   10.833   12.886   10.771  114.142   34.056   96.334   34.288 17.80829 48.32740 
1 1 1   -5    3   39 o  224.718   14.134   67.417   8.1854   77.137   11.557   57.634   11.594  237.694   18.928  203.171   22.404 34.52315 29.32909 
1 1 1   -5    3   40 o   71.264   26.984   6.0088   6.8381   2.1557   9.9931   9.4018   9.3774   70.838   30.389   84.565   31.690 -13.72767 43.90590 
1 1 1   -5    3   41 o   64.589   26.873   2.8688   7.4327  -1.9686   10.673   7.4239   10.357   65.836   29.666   81.026   32.466 -15.19074 43.97842 
1 1 1   -5    3   42 o  105.986   29.147   17.462   8.2515   34.036   11.371  -0.9730   11.992  147.799   30.705   70.034   31.513 77.76479 43.99845 
1 1 1   -5    3   43 o  118.842   26.269   21.551   7.8713   22.569   10.861   20.425   11.423  116.074   33.964  109.637   35.354 6.436691 49.02535 
1 1 1   -5    3   44 o  103.963   27.018   17.044   7.3425   25.834   10.378   8.2357   10.390  124.360   32.024   79.600   32.296 44.76018 45.48160 
1 1 1   -5    3   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    3   46 o   69.850   28.989   5.7834   8.6189  -1.5609   12.743   11.976   11.701   66.786   30.953   85.035   34.354 -18.24898 46.24161 
1 1 1   -5    3   47 o   95.388   31.670   16.556   9.1364   21.410   13.210   12.107   12.649  101.340   37.684   84.054   35.021 17.28639 51.44474 
1 1 1   -5    3   48 o  145.683   26.837   35.228   9.7540   38.378   13.566   31.857   14.034  137.013   37.247  119.488   39.232 17.52497 54.09655 
1 1 1   -5    3   49 o   73.679   28.833   9.2968   7.9903   12.606   11.627   6.3354   10.999   80.593   33.577   70.116   30.945 10.47646 45.66201 
1 1 1   -5    4    1 o  571.719   8.7556  423.598   12.966  436.500   26.653  419.597   14.841  579.807   17.747  568.957   10.070 10.84979 20.40458 
1 1 1   -5    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    4    3 o  795.025   10.072  819.308   20.742  790.218   28.661  851.295   30.055  780.461   14.177  810.047   14.324 -29.58649 20.15342 
1 1 1   -5    4    4 o  711.891   9.6032  656.886   17.708  660.766   25.180  653.089   24.910  713.705   13.620  709.552   13.553 4.152649 19.21427 
1 1 1   -5    4    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    4    6 o  781.827   14.106  793.161   28.568  798.100   40.561  788.300   40.243  783.513   19.985  778.692   19.951 4.820313 28.23952 
1 1 1   -5    4    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    4    8 f  540.172   12.681  378.611   17.744  430.400   26.896  338.700   23.611  575.385   18.046  510.443   17.857 64.94232 25.38734 
1 1 1   -5    4    9 o  556.275   10.329  401.352   14.884  401.481   18.312  401.100   25.550  556.159   12.711  555.319   17.762 0.8400269 21.84162 
1 1 1   -5    4   10 o  808.115   14.701  848.817   30.772   0.0000   0.0000  848.817   30.772  ?   ?   808.115   14.701 0.000000 14.70069 
1 1 1   -5    4   11 o  247.988   9.1175   79.791   5.8568   80.365   8.2703   79.213   8.2951  248.327   12.902  246.520   13.037 1.806671 18.34148 
1 1 1   -5    4   12 o  202.026   9.9287   52.999   5.1958   52.964   7.3713   53.033   7.3248  201.187   14.237  201.335   14.135 -0.1477051 20.06168 
1 1 1   -5    4   13 o  192.402   10.603   48.247   5.2640   45.915   7.4560   50.564   7.4330  186.996   15.534  196.427   14.716 -9.431091 21.39723 
1 1 1   -5    4   14 o  268.445   9.6253   93.572   6.6930   85.277   9.3518  102.282   9.5831  255.500   14.186  280.346   13.197 -24.84570 19.37526 
1 1 1   -5    4   15 f  335.862   9.3658  146.387   8.1481  143.633   11.641  149.033   11.409  332.330   13.522  338.572   13.009 -6.242035 18.76421 
1 1 1   -5    4   16 o  291.961   11.269  110.643   8.5224  155.800   17.588   96.787   9.7426  345.116   19.756  272.567   13.845 72.54886 24.12416 
1 1 1   -5    4   17 o  309.090   19.150  124.800   15.257   0.0000   0.0000  124.800   15.257  ?   ?   309.090   19.150 0.000000 19.15020 
1 1 1   -5    4   18 o  110.983   28.067   16.709   8.0740   17.980   12.072   15.680   10.860  117.103   36.162  109.811   34.364 7.292076 49.88559 
1 1 1   -5    4   19 o  1118.94   12.720  1624.13   36.869  1607.01   51.747  1641.78   52.542  1112.15   17.963  1124.10   18.045 -11.95313 25.46132 
1 1 1   -5    4   20 o  844.779   11.113  925.374   24.318  922.624   34.380  928.128   34.402  843.024   15.744  845.539   15.707 -2.515381 22.23934 
1 1 1   -5    4   21 f  876.269   11.471  995.762   26.036  988.773   36.685  1002.86   36.958  872.625   16.230  878.817   16.235 -6.191833 22.95635 
1 1 1   -5    4   22 o  1238.08   13.681  1989.23   43.876  1964.00   61.469  2015.44   62.647  1228.99   19.309  1244.95   19.427 -15.96094 27.39017 
1 1 1   -5    4   23 f  726.588   10.560  684.651   19.875  697.498   28.563  672.590   27.675  732.875   15.046  719.696   14.845 13.17932 21.13662 
1 1 1   -5    4   24 o  559.446   10.065  405.900   14.585  419.441   20.928  393.113   20.338  568.321   14.216  550.190   14.271 18.13135 20.14343 
1 1 1   -5    4   25 f  196.822   15.490   50.661   7.8336   51.326   11.369   50.061   10.809  197.044   22.690  194.723   21.803 2.321167 31.46764 
1 1 1   -5    4   26 o  339.503   10.827  149.580   9.5214  149.908   14.580  149.336   12.573  339.420   16.583  338.973   14.319 0.4472656 21.90959 
1 1 1   -5    4   27 o  584.144   20.582  445.600   31.143  445.600   31.143   0.0000   0.0000  584.144   20.582  ?   ?  0.000000 20.58224 
1 1 1   -5    4   28 o  393.990   14.909  202.066   15.216   0.0000   0.0000  202.066   15.216  ?   ?   393.990   14.909 0.000000 14.90927 
1 1 1   -5    4   29 o  460.505   10.571  275.495   12.609  264.453   17.838  286.523   17.826  450.434   15.288  468.970   14.675 -18.53607 21.19150 
1 1 1   -5    4   30 o  157.783   19.477   33.124   7.7914   36.115   11.192   30.313   10.853  162.874   27.509  148.476   29.259 14.39806 40.15996 
1 1 1   -5    4   31 o  257.961   13.177   87.024   8.7752   79.587   12.815   93.590   12.041  244.996   20.378  266.572   17.536 -21.57620 26.88474 
1 1 1   -5    4   32 o  207.107   15.223   56.492   8.1096   64.807   11.695   48.792   11.255  220.414   20.728  190.207   23.332 30.20712 31.20977 
1 1 1   -5    4   33 o  258.313   17.737   88.429   11.796   0.0000   0.0000   88.429   11.796  ?   ?   258.313   17.737 0.000000 17.73735 
1 1 1   -5    4   34 o  308.447   11.813  124.391   9.4385  132.536   13.602  116.828   13.107  316.507   16.650  296.928   17.114 19.57883 23.87724 
1 1 1   -5    4   35 o  276.506   12.794  100.278   9.1636  103.117   12.931   97.414   12.988  278.135   18.046  270.030   18.683 8.105042 25.97521 
1 1 1   -5    4   36 o   56.445   25.696  -4.1747   8.2580   2.6990   11.738 -10.9100   11.620   78.824   33.343   60.497   28.525 18.32661 43.88001 
1 1 1   -5    4   37 o   92.325   31.945   11.633   9.3042   27.240   18.837   6.5966   10.701  131.539   45.457   82.837   33.067 48.70225 56.21178 
1 1 1   -5    4   38 o  117.342   25.508   19.857   7.5319   10.372   11.217   27.646   10.164   90.906   34.526  136.939   29.524 -46.03294 45.42834 
1 1 1   -5    4   39 o  210.755   15.187   59.645   8.2351   56.548   12.694   61.896   10.821  199.229   25.159  212.057   19.934 -12.82759 32.09919 
1 1 1   -5    4   40 o  261.729   13.495   91.457   9.1179   94.780   13.058   88.296   12.737  262.383   19.350  253.026   19.586 9.357147 27.53232 
1 1 1   -5    4   41 o   91.213   27.458   12.483   7.0193   11.183   9.1844   14.307   10.884   88.036   31.628   96.903   34.471 -8.867538 46.78199 
1 1 1   -5    4   42 o  116.084   27.681   20.651   8.2065   13.392   11.689   27.705   11.524   94.078   35.356  130.253   33.847 -36.17447 48.94551 
1 1 1   -5    4   43 o  165.898   21.717   39.729   9.1084   38.336   13.199   40.994   12.585  151.809   34.365  160.111   31.468 -8.301102 46.59596 
1 1 1   -5    4   44 o  124.489   28.550   24.769   9.0101   33.542   13.002   16.664   12.497  137.664   36.040   97.851   36.600 39.81291 51.36562 
1 1 1   -5    4   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    4   46 o   88.009   31.216   13.404   8.9199   15.010   12.040   11.450   13.280   90.693   35.421   84.567   35.602 6.125961 50.22080 
1 1 1   -5    4   47 o   55.174   24.703   0.1253   7.2701   2.0769   9.6081  -2.4886   11.119   64.069   28.563   61.334   28.591 2.734760 40.41356 
1 1 1   -5    4   48 o   57.108   25.794   0.3240   8.1242  -6.5890   10.757   9.5017   12.395   55.363   26.485   77.633   33.577 -22.26986 42.76527 
1 1 1   -5    4   49 o   65.754   28.648   5.1070   9.1568   10.012   12.801  -0.0327   13.104   76.298   33.540   64.797   30.472 11.50122 45.31514 
1 1 1   -5    5    1 o  619.192   10.559  497.035   16.936  606.100   32.794  457.370   19.777  683.078   18.534  593.834   12.857 89.24457 22.55697 
1 1 1   -5    5    2 o  722.334   9.6642  676.317   18.082  659.700   36.043  681.905   20.903  712.511   19.529  725.216   11.127 -12.70477 22.47688 
1 1 1   -5    5    3 o  534.156   10.141  369.875   14.031  364.500   24.603  372.466   17.081  529.745   17.930  535.908   12.305 -6.162842 21.74610 
1 1 1   -5    5    4 o  493.080   16.675  315.700   21.298  315.700   21.298   0.0000   0.0000  493.080   16.675  ?   ?  0.000000 16.67490 
1 1 1   -5    5    5 o  414.713   11.437  223.032   12.286  219.500   17.332  226.600   17.420  411.148   16.274  417.756   16.098 -6.608154 22.89076 
1 1 1   -5    5    6 o  559.923   8.9179  406.386   12.934  393.473   18.073  419.944   18.519  550.723   12.669  568.954   12.566 -18.23083 17.84373 
1 1 1   -5    5    7 o  562.834   18.530  411.900   27.015  411.900   27.015   0.0000   0.0000  562.834   18.530  ?   ?  0.000000 18.52983 
1 1 1   -5    5    8 o  246.195   10.091   78.606   6.4349   80.384   8.1806   75.720   10.422  248.541   12.750  240.768   16.816 7.773010 21.10298 
1 1 1   -5    5    9 o  648.211   9.4875  544.953   15.930  530.089   22.248  560.592   22.820  638.860   13.444  656.989   13.409 -18.12885 18.98835 
1 1 1   -5    5   10 o  419.461   8.7257  228.217   9.4808  229.003   13.502  227.453   13.316  419.864   12.415  418.454   12.285 1.410126 17.46537 
1 1 1   -5    5   11 o  372.640   8.6968  180.179   8.3946  173.988   11.819  186.481   11.925  365.825   12.473  378.768   12.154 -12.94278 17.41557 
1 1 1   -5    5   12 o  401.979   12.545  210.223   13.062  210.223   13.062   0.0000   0.0000  401.979   12.545  ?   ?  0.000000 12.54493 
1 1 1   -5    5   13 o  327.961   12.561  139.950   10.671   0.0000   0.0000  139.950   10.671  ?   ?   327.961   12.561 0.000000 12.56119 
1 1 1   -5    5   14 o  409.908   9.1010  218.086   9.6633  232.369   13.881  204.654   13.461  422.692   12.678  396.627   13.102 26.06467 18.23149 
1 1 1   -5    5   15 o  535.780   9.2966  372.432   12.902  356.739   17.900  389.400   18.613  523.910   13.190  547.377   13.128 -23.46698 18.60953 
1 1 1   -5    5   16 f  385.119   13.307  192.621   13.275  192.621   13.275   0.0000   0.0000  385.119   13.307  ?   ?  0.000000 13.30743 
1 1 1   -5    5   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    5   18 o  369.480   11.068  177.035   10.593  175.900   18.579  177.581   12.894  367.276   19.600  369.937   13.456 -2.661072 23.77437 
1 1 1   -5    5   19 o  760.263   10.689  749.429   21.050  780.237   30.626  721.845   28.979  775.286   15.250  745.738   15.002 29.54761 21.39238 
1 1 1   -5    5   20 o  243.630   12.983   77.217   8.1637   82.140   11.265   71.772   11.847  250.867   17.445  234.146   19.717 16.72037 26.32603 
1 1 1   -5    5   21 o  975.954   16.973  1237.20   42.908   0.0000   0.0000  1237.20   42.908  ?   ?   975.954   16.973 0.000000 16.97306 
1 1 1   -5    5   22 o  1013.46   12.197  1332.44   32.019  1299.87   44.574  1367.15   46.023  1000.18   17.205  1025.72   17.322 -25.53387 24.41435 
1 1 1   -5    5   23 o  883.580   11.346  1012.74   25.969  1002.82   36.555  1022.85   36.899  878.542   16.063  887.276   16.055 -8.734009 22.71079 
1 1 1   -5    5   24 o  209.187   14.616   57.117   7.8698   54.390   11.426   59.578   10.855  203.073   22.077  212.981   19.908 -9.908066 29.72692 
1 1 1   -5    5   25 o  536.455   10.260  373.335   14.257  371.282   20.420  375.289   19.915  534.511   14.749  537.442   14.306 -2.930481 20.54686 
1 1 1   -5    5   26 o  378.781   10.846  186.210   10.642  198.370   15.211  174.551   14.894  390.577   15.034  366.312   15.697 24.26468 21.73557 
1 1 1   -5    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    5   28 f  479.920   10.631  299.112   13.215  289.292   18.753  308.800   18.626  471.283   15.362  487.019   14.764 -15.73544 21.30682 
1 1 1   -5    5   29 o  180.762   15.933   42.951   7.3840   38.230   10.470   47.623   10.416  168.651   24.698  189.308   21.629 -20.65633 32.82983 
1 1 1   -5    5   30 o   52.805   23.734  -3.1006   6.7808  -6.3001   9.2701   0.5813   9.9444   58.591   26.881   71.883   30.562 -13.29167 40.70161 
1 1 1   -5    5   31 o  326.442   11.679  138.836   9.8759  122.987   14.147  153.904   13.793  305.513   17.955  342.924   15.528 -37.41113 23.73839 
1 1 1   -5    5   32 o  182.074   16.635   43.906   7.7590   42.040   11.145   45.661   10.809  175.647   25.218  183.849   23.215 -8.201920 34.27662 
1 1 1   -5    5   33 o  259.738   12.645   88.240   8.5072   78.789   12.619   96.116   11.519  242.806   20.248  269.654   16.571 -26.84798 26.16451 
1 1 1   -5    5   34 o  139.096   18.561   26.082   6.5207   27.298   8.9544   24.708   9.5145  140.058   25.626  132.087   28.634 7.971039 38.42681 
1 1 1   -5    5   35 o  236.633   13.077   73.731   7.9844   65.578   10.777   83.653   11.888  221.094   19.002  250.115   18.480 -29.02068 26.50656 
1 1 1   -5    5   36 o  137.684   36.466   28.540   13.212   28.540   13.212   0.0000   0.0000  137.684   36.466  ?   ?  0.000000 36.46635 
1 1 1   -5    5   37 o  195.666   15.775   51.213   7.9276   51.606   10.842   50.762   11.622  193.583   22.013  190.919   24.032 2.664566 32.58992 
1 1 1   -5    5   38 o  164.691   17.713   36.874   7.4378   38.690   10.437   35.001   10.602  164.949   25.230  155.595   27.301 9.354340 37.17350 
1 1 1   -5    5   39 o  205.732   15.345   56.944   8.1187   39.987   10.969   77.491   12.074  166.207   26.357  237.337   19.821 -71.13042 32.97823 
1 1 1   -5    5   40 o  143.250   20.238   28.750   7.3006   19.959   9.9540   38.984   10.740  112.969   32.360  163.326   26.277 -50.35693 41.68480 
1 1 1   -5    5   41 o   54.108   24.273  -1.7184   7.0559   10.917   9.7113 -15.8471   10.269   87.637   32.365   49.702   24.270 37.93478 40.45388 
1 1 1   -5    5   42 o  142.741   22.823   29.580   8.1545   21.690   10.962   39.356   12.202  114.474   34.281  158.579   30.816 -44.10568 46.09546 
1 1 1   -5    5   43 o  248.770   14.152   83.966   9.0818   81.570   12.808   86.389   12.879  238.927   20.906  246.513   20.351 -7.586334 29.17617 
1 1 1   -5    5   44 o  103.927   28.209   17.434   7.7885   14.923   10.146   21.036   12.153   94.001   33.298  107.486   36.531 -13.48550 49.42974 
1 1 1   -5    5   45 o  141.543   38.583   38.519   14.534   35.610   20.809   41.290   20.308  120.295   46.681  130.600   47.019 -10.30420 66.25629 
1 1 1   -5    5   46 o  106.387   30.183   19.691   8.7025   22.510   12.989   17.395   11.723  105.245   37.633   95.446   35.498 9.799484 51.73305 
1 1 1   -5    5   47 o   72.504   30.057   7.3508   9.2503  -8.9751   12.877   24.760   13.297   58.810   28.350  107.361   38.110 -48.55114 47.49861 
1 1 1   -5    5   48 o   73.928   29.356   8.9289   8.3934   11.179   13.148   7.3811   10.904   80.028   34.598   72.808   31.492 7.220650 46.78433 
1 1 1   -5    5   49 o   57.063   26.180   0.0919   8.7928  -0.4100   12.297   0.6170   12.577   62.876   29.553   64.332   30.125 -1.456215 42.20109 
1 1 1   -5    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    6    2 o  712.960   11.122  659.122   20.539   0.0000   0.0000  659.122   20.539  ?   ?   712.960   11.122 0.000000 11.12159 
1 1 1   -5    6    3 f  1064.03   16.893  1470.43   46.560   0.0000   0.0000  1470.43   46.560  ?   ?   1064.03   16.893 0.000000 16.89311 
1 1 1   -5    6    4 o  449.392   9.8372  261.820   11.451  294.900   21.507  248.732   13.528  476.431   17.427  437.914   11.926 38.51776 21.11742 
1 1 1   -5    6    5 o  450.343   8.5491  262.878   9.9727  259.703   14.066  266.086   14.141  447.433   12.137  452.903   12.054 -5.470215 17.10548 
1 1 1   -5    6    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    6    7 o  356.600   12.198  165.024   11.267  160.400   16.805  168.800   15.186  350.626   18.569  360.379   16.268 -9.752380 24.68683 
1 1 1   -5    6    8 o  408.169   8.7565  216.032   9.2581  209.081   13.002  223.179   13.185  401.301   12.509  414.629   12.277 -13.32797 17.52657 
1 1 1   -5    6    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    6   10 o  561.976   9.1572  409.840   13.330  407.829   18.962  411.805   18.743  560.022   13.072  562.782   12.857 -2.759705 18.33498 
1 1 1   -5    6   11 o  474.208   8.9123  291.893   10.947  289.952   15.400  293.875   15.565  472.108   12.593  475.282   12.643 -3.173950 17.84464 
1 1 1   -5    6   12 o  278.145   9.2174  100.453   6.6410   99.711   9.3935  101.195   9.3899  276.758   13.103  278.820   13.001 -2.061859 18.45885 
1 1 1   -5    6   13 o   92.246   18.267   11.506   4.2104   9.5589   5.7789   13.710   6.1469   84.438   24.793  100.114   24.013 -15.67561 34.51534 
1 1 1   -5    6   14 o  423.138   12.920  232.789   14.161   0.0000   0.0000  232.789   14.161  ?   ?   423.138   12.920 0.000000 12.91978 
1 1 1   -5    6   15 o  548.718   9.4198  390.584   13.389  385.099   19.073  395.912   18.799  544.390   13.525  552.029   13.147 -7.639404 18.86234 
1 1 1   -5    6   16 o  421.257   12.650  230.343   13.804  228.300   19.490  232.400   19.553  418.914   17.961  422.669   17.859 -3.755524 25.32875 
1 1 1   -5    6   17 o  363.738   13.717  171.720   12.924  185.000   18.630  159.400   17.944  376.680   19.156  349.477   19.904 27.20261 27.62509 
1 1 1   -5    6   18 o  712.235   11.928  657.953   22.006  673.400   39.529  651.015   26.491  719.423   21.212  708.231   14.440 11.19189 25.66082 
1 1 1   -5    6   19 o  339.506   12.726  149.521   11.192  134.600   20.956  155.475   13.238  320.370   25.463  346.105   14.766 -25.73557 29.43452 
1 1 1   -5    6   20 o  695.044   10.920  626.405   19.660  670.038   28.710  587.878   26.978  718.423   15.428  672.931   15.477 45.49158 21.85295 
1 1 1   -5    6   21 o  276.099   12.161   98.884   8.6969   93.108   12.498  104.307   12.110  267.045   18.176  282.897   16.599 -15.85172 24.61443 
1 1 1   -5    6   22 o  591.185   10.118  453.193   15.494  460.493   22.262  446.335   21.577  595.561   14.431  586.356   14.207 9.204956 20.25016 
1 1 1   -5    6   23 f  559.570   10.196  406.080   14.779  402.656   20.909  409.499   20.893  556.824   14.497  561.549   14.364 -4.725098 20.40744 
1 1 1   -5    6   24 o  1045.52   12.428  1418.92   33.657  1456.98   48.542  1383.69   46.708  1058.23   17.709  1031.33   17.484 26.89844 24.88553 
1 1 1   -5    6   25 o  663.397   10.673  571.054   18.340  574.045   26.426  568.276   25.473  664.470   15.354  661.201   14.873 3.268677 21.37617 
1 1 1   -5    6   26 o  184.922   18.810   45.034   8.8845   47.350   14.095   43.507   11.444  187.404   30.052  180.542   25.154 6.861084 39.19032 
1 1 1   -5    6   27 o  517.990   23.635  351.700   31.713  351.700   31.713   0.0000   0.0000  517.990   23.635  ?   ?  0.000000 23.63540 
1 1 1   -5    6   28 o  190.087   16.489   47.468   8.0385   54.502   11.573   40.910   11.174  202.656   22.421  174.558   25.462 28.09868 33.92696 
1 1 1   -5    6   29 o  234.380   12.964   71.729   7.8400   58.978   10.657   86.774   11.575  211.257   19.702  257.061   17.488 -45.80400 26.34322 
1 1 1   -5    6   30 o  164.061   16.827   35.588   7.0498   28.578   9.1022   46.098   11.145  144.883   25.167  185.285   23.769 -40.40170 34.61730 
1 1 1   -5    6   31 o  307.034   11.778  122.875   9.3668  114.998   13.070  131.193   13.430  295.501   17.149  315.883   16.471 -20.38226 23.77794 
1 1 1   -5    6   32 o   67.717   25.186   4.8630   5.9013   7.3133   7.8412   1.6621   8.9620   79.940   29.151   69.943   29.336 9.996773 41.35634 
1 1 1   -5    6   33 o  230.745   14.157   70.103   8.4206   78.795   12.331   62.509   11.526  242.859   19.774  215.745   20.887 27.11467 28.76226 
1 1 1   -5    6   34 o  332.897   11.708  144.971   10.096  145.618   14.383  144.343   14.174  331.496   16.806  330.117   16.629 1.379364 23.64223 
1 1 1   -5    6   35 o  436.155   14.846  250.921   16.772   0.0000   0.0000  250.921   16.772  ?   ?   436.155   14.846 0.000000 14.84557 
1 1 1   -5    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    6   37 o  220.157   12.923   64.162   7.3375   60.866   10.794   66.993   10.004  211.286   19.959  223.027   17.457 -11.74155 26.51589 
1 1 1   -5    6   38 o   54.632   23.579   0.1586   6.0858  -2.0106   7.7306   3.6940   9.8691   57.012   25.503   74.077   30.905 -17.06484 40.06915 
1 1 1   -5    6   39 o  167.146   16.874   38.039   7.2057   33.472   9.7910   43.435   10.643  151.925   25.803  174.498   24.198 -22.57333 35.37406 
1 1 1   -5    6   40 o   90.430   28.447   12.195   7.4319   11.282   10.421   13.139   10.601   89.748   33.451   94.298   33.969 -4.549973 47.67492 
1 1 1   -5    6   41 o   99.160   29.007   15.153   7.9235   7.6918   11.392   22.145   11.028   82.689   33.716  116.579   34.254 -33.89008 48.06419 
1 1 1   -5    6   42 o  218.313   16.700   65.544   9.3724   63.793   13.990   66.970   12.624  206.385   26.801  215.267   22.996 -8.882462 35.31464 
1 1 1   -5    6   43 o  143.293   25.002   30.942   8.9425   33.403   12.915   28.676   12.394  138.946   35.694  128.061   35.912 10.88530 50.63346 
1 1 1   -5    6   44 o   97.278   30.547   15.838   8.5736   15.672   13.182   15.960   11.287   94.778   37.049   95.644   34.960 -0.8659592 50.93928 
1 1 1   -5    6   45 o   53.575   26.396 -18.5372   13.026 -24.6000   19.922 -14.0100   17.215   64.230   31.828   65.335   31.798 -1.105667 44.99037 
1 1 1   -5    6   46 o   56.817   26.173  -2.0387   8.9089 -13.7781   12.508   10.049   12.692   54.838   26.779   81.140   34.513 -26.30170 43.68384 
1 1 1   -5    6   47 o   74.173   29.998   8.4553   8.9324   17.516   12.685  -0.4571   12.580   92.503   36.292   65.871   30.607 26.63124 47.47536 
1 1 1   -5    6   48 o   56.044   25.358   0.2913   7.8924  -4.6588   10.014   8.4093   12.823   55.035   26.107   75.361   33.328 -20.32680 42.33644 
1 1 1   -5    6   49 o   49.857   23.650  -4.2377   8.2155   6.4028   11.850 -14.0855   11.400   69.716   31.352   49.549   24.466 20.16713 39.76813 
1 1 1   -5    7    1 o  913.753   21.893  1087.00   51.817   0.0000   0.0000  1087.00   51.817  ?   ?   913.753   21.893 0.000000 21.89256 
1 1 1   -5    7    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    7    3 o  587.247   10.468  447.203   15.923  538.000   30.936  414.481   18.572  643.248   18.567  565.189   12.685 78.05872 22.48636 
1 1 1   -5    7    4 o  519.589   10.168  350.090   13.685  404.500   26.056  329.364   16.081  557.765   18.034  503.827   12.322 53.93777 21.84215 
1 1 1   -5    7    5 o  688.697   13.855  615.813   24.717  670.900   36.859  570.800   33.318  717.914   19.821  662.261   19.423 55.65332 27.75047 
1 1 1   -5    7    6 o  454.783   12.402  268.464   14.610  361.600   23.728  211.600   18.541  527.249   17.374  403.291   17.748 123.9580 24.83665 
1 1 1   -5    7    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    7    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    7    9 o  157.881   11.210   32.542   4.5545   36.523   6.5496   28.814   6.3377  166.770   15.333  147.715   16.866 19.05423 22.79423 
1 1 1   -5    7   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    7   11 f  386.094   9.0107  193.540   9.0116  185.815   12.784  201.170   12.705  377.801   13.063  393.190   12.475 -15.38916 18.06275 
1 1 1   -5    7   12 f  715.544   10.041  665.080   18.611  674.367   26.753  656.370   25.909  719.418   14.356  709.831   14.091 9.586182 20.11600 
1 1 1   -5    7   13 o  583.254   9.4855  441.593   14.331  443.917   20.410  439.333   20.126  584.109   13.490  581.108   13.371 3.000305 18.99330 
1 1 1   -5    7   14 o  505.171   9.3065  331.089   12.178  323.081   17.185  339.167   17.259  498.576   13.307  510.872   13.043 -12.29608 18.63281 
1 1 1   -5    7   15 o  366.687   10.554  174.445   10.024  171.000   16.609  176.420   12.573  362.483   17.689  368.579   13.169 -6.096191 22.05248 
1 1 1   -5    7   16 o  678.743   11.738  597.681   20.637  593.117   25.523  606.300   35.072  675.835   14.579  682.544   19.837 -6.709351 24.61823 
1 1 1   -5    7   17 o  520.998   14.071  352.302   18.989  339.100   27.344  364.600   26.391  510.515   20.678  529.525   19.240 -19.00974 28.24496 
1 1 1   -5    7   18 f  439.686   9.7485  250.621   11.103  249.434   15.652  251.824   15.751  438.435   13.782  440.529   13.804 -2.094055 19.50627 
1 1 1   -5    7   19 o  1137.28   15.078  1678.93   44.419  1652.00   76.716  1692.51   54.481  1125.55   26.313  1141.24   18.430 -15.69470 32.12531 
1 1 1   -5    7   20 o  437.003   23.825  249.500   26.867  249.500   26.867   0.0000   0.0000  437.003   23.825  ?   ?  0.000000 23.82461 
1 1 1   -5    7   21 o  268.721   12.592   93.689   8.7647   93.670   12.588   93.707   12.211  267.819   18.254  267.939   17.694 -0.1199646 25.42186 
1 1 1   -5    7   22 o  203.466   21.190   54.488   11.004   0.0000   0.0000   54.488   11.004  ?   ?   203.466   21.190 0.000000 21.19037 
1 1 1   -5    7   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    7   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    7   25 o  320.274   17.079  133.899   14.117   0.0000   0.0000  133.899   14.117  ?   ?   320.274   17.079 0.000000 17.07863 
1 1 1   -5    7   26 o  199.580   19.995   52.507   10.198   59.280   13.871   44.540   15.044  211.014   25.923  180.758   33.359 30.25667 42.24686 
1 1 1   -5    7   27 o  262.911   15.304   90.308   10.377  104.300   19.844   85.041   12.174  280.011   27.723  254.568   18.591 25.44295 33.37976 
1 1 1   -5    7   28 o  100.736   26.763   13.872   7.1019   23.571   10.768   6.4043   9.4482  130.557   32.072   82.665   31.618 47.89223 45.03691 
1 1 1   -5    7   29 o  198.892   15.448   51.940   7.8960   50.181   11.789   53.371   10.633  193.608   24.025  200.549   20.770 -6.940491 31.75773 
1 1 1   -5    7   30 o  137.065   21.170   25.320   7.2740   23.063   9.8946   27.975   10.730  128.622   30.212  141.885   30.126 -13.26266 42.66595 
1 1 1   -5    7   31 o  242.711   13.323   77.193   8.3440   76.126   11.367   78.439   12.287  239.753   18.445  243.020   19.689 -3.266388 26.97862 
1 1 1   -5    7   32 o  305.884   11.721  122.163   9.2866  123.072   13.290  121.296   12.982  305.265   16.873  303.145   16.595 2.120148 23.66652 
1 1 1   -5    7   33 o  145.706   19.991   28.720   7.3461   30.878   10.508   26.658   10.274  148.258   28.396  137.040   29.793 11.21826 41.15756 
1 1 1   -5    7   34 o  273.323   12.236   97.868   8.6628   95.793   12.233   99.956   12.269  268.204   17.708  274.134   17.368 -5.930328 24.80355 
1 1 1   -5    7   35 o  221.639   14.984   65.156   8.5518   75.149   12.344   55.935   11.858  235.812   20.411  202.017   23.075 33.79503 30.80687 
1 1 1   -5    7   36 o  102.801   43.648   8.0610   20.235   8.0610   20.235   0.0000   0.0000  102.801   43.648  ?   ?  0.000000 43.64777 
1 1 1   -5    7   37 o  122.454   24.810   21.450   7.5998   6.5538   10.690   36.674   10.807   82.072   32.948  159.816   27.071 -77.74361 42.64315 
1 1 1   -5    7   38 o  221.738   14.237   65.688   8.1339   75.634   12.755   58.871   10.560  233.730   21.301  206.845   19.957 26.88472 29.18906 
1 1 1   -5    7   39 o  118.980   25.594   20.790   7.6538   21.237   10.836   20.346   10.812  116.045   33.915  113.620   34.051 2.424675 48.05970 
1 1 1   -5    7   40 o  159.843   19.510   35.647   7.9103   36.170   11.385   35.159   10.999  154.353   29.550  152.621   28.880 1.731903 41.31942 
1 1 1   -5    7   41 o  144.860   30.591   32.724   11.119   0.0000   0.0000   32.724   11.119  ?   ?   144.860   30.591 0.000000 30.59130 
1 1 1   -5    7   42 o  186.763   18.707   48.892   8.9282   59.907   12.802   38.462   12.458  201.102   25.125  154.581   32.160 46.52054 40.81025 
1 1 1   -5    7   43 o  177.164   25.094   47.301   11.194   47.301   11.194   0.0000   0.0000  177.164   25.094  ?   ?  0.000000 25.09393 
1 1 1   -5    7   44 o  110.760   33.306   21.665   10.331   25.370   12.450   13.470   18.515  116.208   36.850   92.425   40.489 23.78271 54.74768 
1 1 1   -5    7   45 o  103.114   31.812   18.900   9.3450   47.980   20.308   11.089   10.526  139.863   47.225   82.732   32.867 57.13096 57.53677 
1 1 1   -5    7   46 o  110.137   31.310   21.820   9.3547   4.7584   12.776   41.539   13.735   73.141   32.747  147.217   36.257 -74.07643 48.85669 
1 1 1   -5    7   47 o   99.513   31.012   18.353   8.8557   29.022   13.170   9.5490   11.964  115.675   38.006   77.801   33.310 37.87385 50.53726 
1 1 1   -5    7   48 o   88.441   31.745   15.388   9.2507   15.467   13.097   15.309   13.068   85.288   35.594   85.037   35.528 0.2507935 50.29041 
1 1 1   -5    7   49 o   83.468   31.830   14.562   9.5578   9.4295   14.094   18.932   13.006   74.021   33.648   87.937   35.960 -13.91567 49.24728 
1 1 1   -5    8    1 o  1051.54   11.993  1434.78   32.667  1436.24   46.283  1433.33   46.115  1051.09   16.999  1050.03   16.955 1.053101 24.00898 
1 1 1   -5    8    2 o  835.362   10.556  905.136   22.842  904.728   32.309  905.543   32.298  834.552   14.946  834.930   14.934 -0.3775024 21.12815 
1 1 1   -5    8    3 o  1358.23   14.321  2396.13   50.386  2411.95   71.704  2380.70   70.817  1360.73   20.343  1351.93   20.222 8.798584 28.68442 
1 1 1   -5    8    4 o  699.450   13.919  635.449   25.218  646.500   36.263  625.100   35.094  704.458   19.873  692.764   19.557 11.69360 27.88190 
1 1 1   -5    8    5 o  745.034   14.210  721.273   27.424  816.300   42.597  654.000   35.840  791.118   20.787  708.408   19.532 82.71063 28.52310 
1 1 1   -5    8    6 o  489.138   10.320  310.480   13.075  355.200   24.696  293.062   15.413  522.091   18.261  474.999   12.527 47.09164 22.14442 
1 1 1   -5    8    7 o  671.955   9.6966  585.976   16.878  576.752   23.735  595.410   24.004  665.963   13.759  676.662   13.695 -10.69904 19.41306 
1 1 1   -5    8    8 o  340.053   8.9351  150.068   7.8704  141.622   11.097  158.617   11.164  329.976   12.983  349.286   12.340 -19.30981 17.91133 
1 1 1   -5    8    9 o  680.362   9.7946  601.174   17.261  599.881   24.452  602.459   24.371  678.680   13.909  680.157   13.833 -1.477356 19.61656 
1 1 1   -5    8   10 o  534.321   9.2453  370.735   12.796  362.126   17.998  379.535   18.197  527.370   13.175  539.934   13.011 -12.56348 18.51644 
1 1 1   -5    8   11 o  390.772   9.0632  198.259   9.1740  200.482   13.038  196.079   12.911  392.475   12.825  388.138   12.841 4.336487 18.14882 
1 1 1   -5    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    8   13 o  279.092   9.6729  101.081   6.9928   99.024   9.8677  103.156   9.9111  275.608   13.866  281.673   13.584 -6.065033 19.41139 
1 1 1   -5    8   14 o  198.757   11.560   51.452   5.9257   46.115   8.6127   56.249   8.1655  187.340   17.969  207.432   15.305 -20.09250 23.60341 
1 1 1   -5    8   15 o  411.171   12.739  219.438   13.568  207.600   19.059  231.600   19.319  399.453   18.420  421.987   17.674 -22.53442 25.52739 
1 1 1   -5    8   16 o  398.901   14.987  206.611   15.485  206.500   23.158  206.700   20.826  397.524   22.583  398.061   20.265 -0.5367432 30.34241 
1 1 1   -5    8   17 f  593.075   9.8097  456.009   15.070  464.349   21.496  447.949   21.133  598.174   13.873  587.515   13.887 10.65936 19.62925 
1 1 1   -5    8   18 o  476.437   9.9086  294.279   12.228  290.646   17.553  297.706   17.045  473.233   14.319  478.985   13.738 -5.751801 19.84397 
1 1 1   -5    8   19 o  580.864   10.576  437.484   15.913  446.569   22.997  429.138   22.042  586.515   15.137  574.984   14.799 11.53119 21.16961 
1 1 1   -5    8   20 o  827.077   13.017  887.580   27.886  862.400   48.570  899.962   34.060  813.675   23.045  832.467   15.795 -18.79236 27.93810 
1 1 1   -5    8   21 o  1278.70   16.160  2124.23   53.525  2083.00   91.878  2145.41   65.855  1262.29   28.100  1284.06   19.799 -21.77576 34.37455 
1 1 1   -5    8   22 o  1247.62   13.832  2021.05   44.701  2074.66   65.025  1973.01   61.552  1262.38   19.886  1231.25   19.299 31.12915 27.71124 
1 1 1   -5    8   23 o  216.346   14.754   61.094   8.2190   52.129   11.704   69.815   11.544  198.524   23.198  230.722   19.499 -32.19818 30.30409 
1 1 1   -5    8   24 o  620.686   10.510  499.866   16.898  513.289   23.961  486.585   23.835  628.415   14.720  611.802   15.040 16.61285 21.04489 
1 1 1   -5    8   25 o  518.566   10.772  349.035   14.469  339.564   20.480  358.476   20.446  510.893   15.475  524.993   15.035 -14.10025 21.57625 
1 1 1   -5    8   26 o  290.968   19.218  110.988   14.403  110.988   14.403   0.0000   0.0000  290.968   19.218  ?   ?  0.000000 19.21826 
1 1 1   -5    8   27 o   50.548   22.794  -3.2161   6.3143  -3.3594   8.1379  -2.9994   10.010   58.531   26.176   66.488   29.423 -7.956768 39.38117 
1 1 1   -5    8   28 o  238.954   14.227   74.656   8.7664   81.334   12.712   68.600   12.105  248.365   19.927  227.788   20.743 20.57628 28.76424 
1 1 1   -5    8   29 o  218.230   14.709   62.437   8.2660   65.019   12.588   60.481   10.960  221.024   22.292  213.656   20.037 7.367569 29.97395 
1 1 1   -5    8   30 o  188.703   16.178   46.985   7.8313   56.724   11.345   38.120   10.824  206.105   21.570  167.331   25.801 38.77440 33.62971 
1 1 1   -5    8   31 o  273.576   12.790   97.784   9.0639   97.935   12.582   97.621   13.068  272.083   17.953  271.404   18.703 0.6793213 25.92546 
1 1 1   -5    8   32 o  205.415   14.853   55.685   7.8498   54.142   11.708   56.945   10.580  199.962   23.025  206.185   20.064 -6.223923 30.53999 
1 1 1   -5    8   33 o  270.313   12.919   95.768   9.0455   99.216   12.982   92.516   12.610  272.876   18.476  263.411   18.601 9.464722 26.21769 
1 1 1   -5    8   34 o  307.864   17.018  126.000   13.519   0.0000   0.0000  126.000   13.519  ?   ?   307.864   17.018 0.000000 17.01806 
1 1 1   -5    8   35 o  292.371   14.202  112.792   10.756  154.000   17.880   89.426   13.464  337.701   20.538  257.125   20.382 80.57605 28.93516 
1 1 1   -5    8   36 o   41.284   20.514 -19.6376   8.4988 -33.6700   19.704 -16.4306   9.4200   66.410   32.671   47.237   23.104 19.17269 40.01472 
1 1 1   -5    8   37 o  101.964   26.858   15.206   7.1923   21.760   10.815   10.008   9.6305  119.306   33.578   87.555   32.248 31.75084 46.55555 
1 1 1   -5    8   38 o  173.372   18.361   41.199   8.1201   48.853   11.701   34.088   11.278  184.808   25.091  150.948   29.902 33.85986 39.03412 
1 1 1   -5    8   39 o   65.195   25.920   4.1167   6.5507   0.3046   9.0924   8.2310   9.4459   64.841   28.390   81.528   31.503 -16.68763 42.40821 
1 1 1   -5    8   40 o   58.292   25.419   0.2497   7.2233  -0.1066   10.094   0.6236   10.341   66.620   29.511   68.413   30.108 -1.793381 42.15865 
1 1 1   -5    8   41 o  145.342   22.807   30.652   8.3038   33.824   12.119   27.845   11.401  144.737   33.051  130.483   33.545 14.25409 47.09162 
1 1 1   -5    8   42 o  266.633   14.457   96.594   9.9477  101.432   14.886   92.691   13.372  265.512   21.838  255.395   20.382 10.11603 29.87219 
1 1 1   -5    8   43 o   99.917   30.208   16.516   8.4818   10.823   12.241   21.773   11.764   85.936   34.985  109.914   35.910 -23.97880 50.13415 
1 1 1   -5    8   44 o   63.324   30.641 -12.3500   15.394 -12.3500   15.394   0.0000   0.0000   63.324   30.641  ?   ?  0.000000 30.64123 
1 1 1   -5    8   45 o   50.521   24.192  -7.8123   9.0235 -15.5442   12.875  -0.3470   12.651   54.662   26.793   67.471   31.119 -12.80991 41.06425 
1 1 1   -5    8   46 o   92.137   31.215   15.494   8.8727   35.102   13.706   1.3504   11.641  130.298   38.162   66.629   30.401 63.66870 48.79050 
1 1 1   -5    8   47 o   87.435   32.082   14.616   9.5183   14.074   13.338   15.179   13.587   84.601   35.651   86.311   36.157 -1.710091 50.77737 
1 1 1   -5    8   48 o   83.499   30.536   13.459   8.6129   17.586   12.978   10.210   11.514   87.932   35.935   75.934   32.599 11.99768 48.51817 
1 1 1   -5    9    1 o  610.706   9.4174  483.768   14.898  451.788   20.449  519.939   21.748  589.723   13.387  632.657   13.271 -42.93396 18.84980 
1 1 1   -5    9    2 o  367.665   10.364  175.405   9.8702  181.200   17.705  172.792   11.889  372.943   18.327  364.753   12.584 8.190033 22.23129 
1 1 1   -5    9    3 o   61.618   27.153  -2.3380   8.4368  -2.3380   8.4368   0.0000   0.0000   61.618   27.153  ?   ?  0.000000 27.15272 
1 1 1   -5    9    4 o  329.150   13.205  140.807   11.259  140.807   11.259   0.0000   0.0000  329.150   13.205  ?   ?  0.000000 13.20507 
1 1 1   -5    9    5 o  476.999   10.318  295.382   12.749  325.400   23.958  283.523   15.058  499.340   18.523  467.075   12.446 32.26471 22.31558 
1 1 1   -5    9    6 o  387.844   9.0354  195.217   9.0772  191.900   18.872  196.215   10.354  383.202   19.012  388.718   10.283 -5.515289 21.61471 
1 1 1   -5    9    7 o  479.044   9.1642  297.915   11.372  304.900   23.830  295.855   12.940  482.746   19.057  477.214   10.468 5.531464 21.74265 
1 1 1   -5    9    8 o  289.426   11.070  108.895   8.2991  107.100   16.176  109.536   9.6685  284.641   22.114  290.088   12.867 -5.447784 25.58455 
1 1 1   -5    9    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    9   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    9   11 o  403.555   9.0495  211.386   9.4597  205.572   13.422  217.124   13.334  397.500   13.036  408.577   12.599 -11.07724 18.12934 
1 1 1   -5    9   12 o  692.229   10.020  621.959   17.966  624.726   25.555  619.255   25.263  693.004   14.236  689.984   14.135 3.020020 20.06162 
1 1 1   -5    9   13 o  612.508   9.6883  486.702   15.371  466.100   21.298  509.099   22.207  598.905   13.729  625.926   13.697 -27.02100 19.39282 
1 1 1   -5    9   14 o  475.605   12.641  293.626   15.573  303.500   21.995  283.700   22.053  483.028   17.580  466.929   18.233 16.09872 25.32767 
1 1 1   -5    9   15 f  913.321   11.438  1082.04   27.060  1100.04   38.908  1065.17   37.660  920.148   16.324  905.493   16.056 14.65503 22.89738 
1 1 1   -5    9   16 o  1023.82   17.338  1361.98   45.980  1363.00   65.642  1361.00   64.426  1022.49   24.784  1021.86   24.340 0.6313477 34.73757 
1 1 1   -5    9   17 o  339.841   14.193  149.889   12.494   0.0000   0.0000  149.889   12.494  ?   ?   339.841   14.193 0.000000 14.19271 
1 1 1   -5    9   18 o  287.362   18.435  107.759   13.650  107.759   13.650   0.0000   0.0000  287.362   18.435  ?   ?  0.000000 18.43509 
1 1 1   -5    9   19 o  350.445   11.711  159.293   10.631  150.186   15.369  167.647   14.720  339.522   17.535  359.300   15.816 -19.77820 23.61427 
1 1 1   -5    9   20 o  306.681   17.084  122.603   13.517  122.603   13.517   0.0000   0.0000  306.681   17.084  ?   ?  0.000000 17.08373 
1 1 1   -5    9   21 o  583.182   22.756  443.400   34.376  443.400   34.376   0.0000   0.0000  583.182   22.756  ?   ?  0.000000 22.75621 
1 1 1   -5    9   22 o  733.177   23.157  701.500   43.979  701.500   43.979   0.0000   0.0000  733.177   23.157  ?   ?  0.000000 23.15727 
1 1 1   -5    9   23 f  582.310   12.062  440.179   18.193  458.800   33.891  432.640   21.564  592.903   22.068  577.017   14.427 15.88531 26.36525 
1 1 1   -5    9   24 o  364.172   11.292  172.156   10.652  152.194   15.014  192.387   15.115  341.922   16.952  384.625   15.171 -42.70313 22.74913 
1 1 1   -5    9   25 o  280.923   15.313  102.997   11.101   89.560   14.520  121.900   17.221  260.849   21.686  304.533   21.979 -43.68469 30.87618 
1 1 1   -5    9   26 o  327.719   19.085  140.744   16.131  144.100   22.508  137.200   23.130  329.838   26.570  321.378   28.067 8.460114 38.64843 
1 1 1   -5    9   27 o  303.167   12.523  119.549   9.8343  113.291   13.851  125.910   13.965  293.864   18.287  310.024   17.461 -16.15997 25.28462 
1 1 1   -5    9   28 o  177.908   17.427   41.784   7.9279   46.371   11.057   36.932   11.373  186.164   23.450  164.749   27.628 21.41470 36.23875 
1 1 1   -5    9   29 f  173.369   17.950   39.835   7.9440   38.475   11.730   40.987   10.797  167.701   27.989  174.204   24.613 -6.503616 37.27180 
1 1 1   -5    9   30 o  161.078   17.465   34.484   7.1703   37.789   10.486   31.581   9.8265  166.604   25.076  151.766   25.928 14.83812 36.06975 
1 1 1   -5    9   31 o  104.978   25.278   15.368   6.7916   7.1664   9.2156   25.117   10.048   82.660   31.319  133.449   29.819 -50.78900 43.24402 
1 1 1   -5    9   32 o  136.662   21.384   25.472   7.3217   31.040   10.163   19.463   10.557  149.070   27.326  116.575   33.303 32.49533 43.07949 
1 1 1   -5    9   33 o   97.436   26.948   13.390   7.0300   10.138   9.8715   16.738   10.014   90.493   32.752  108.332   32.838 -17.83889 46.37946 
1 1 1   -5    9   34 o  194.048   16.714   50.289   8.3190   57.779   11.971   43.294   11.569  205.510   22.876  176.118   26.154 29.39244 34.74696 
1 1 1   -5    9   35 o   73.337   32.053  -0.1392   11.544  -0.1392   11.544   0.0000   0.0000   73.337   32.053  ?   ?  0.000000 32.05289 
1 1 1   -5    9   36 o  210.375   15.903   59.300   8.6019   65.425   12.428   53.667   11.918  217.606   22.368  195.994   23.974 21.61191 32.78828 
1 1 1   -5    9   37 o  327.419   12.042  141.541   10.213  144.760   14.464  138.341   14.422  327.568   17.106  319.933   17.468 7.635406 24.44913 
1 1 1   -5    9   38 o   84.934   27.462   10.430   6.8887   2.8966   10.145   16.876   9.3840   72.540   30.855  104.832   31.792 -32.29137 44.30292 
1 1 1   -5    9   39 o  122.938   24.358   22.101   7.4824   25.621   10.271   18.120   10.923  128.267   31.210  106.648   34.590 21.61832 46.58910 
1 1 1   -5    9   40 o  135.011   22.127   26.239   7.4702   33.407   10.474   18.819   10.657  148.331   28.293  107.643   34.089 40.68824 44.30125 
1 1 1   -5    9   41 o  121.112   25.685   22.171   7.8078   31.368   10.909   12.511   11.180  140.551   30.813   90.954   34.487 49.59646 46.24768 
1 1 1   -5    9   42 o  183.902   18.256   47.571   8.5815   50.537   11.898   44.354   12.389  182.767   25.853  167.443   29.650 15.32370 39.33810 
1 1 1   -5    9   43 o  152.893   21.610   34.455   8.3198   27.100   11.317   43.105   12.273  123.891   34.161  162.524   30.266 -38.63306 45.64016 
1 1 1   -5    9   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5    9   45 o   69.885   28.109   6.7122   7.7967   8.2379   9.9799   4.3226   12.490   75.534   31.259   72.362   32.390 3.172028 45.01366 
1 1 1   -5    9   46 o  126.601   26.665   26.627   8.4680   27.863   11.464   25.143   12.563  118.791   34.931  108.665   37.141 10.12548 50.98684 
1 1 1   -5    9   47 o   97.492   30.966   18.120   8.7885   24.698   11.809   9.9552   13.157  106.880   36.013   77.510   34.039 29.36958 49.55403 
1 1 1   -5    9   48 o   60.112   26.620   3.0646   8.2076   9.1887   11.489  -3.3174   11.729   73.418   32.036   58.680   27.956 14.73838 42.51854 
1 1 1   -5   10    1 o  485.022   10.666  305.509   13.400  291.225   16.026  338.700   24.430  473.225   13.074  509.298   18.518 -36.07312 22.66857 
1 1 1   -5   10    2 o  650.934   11.210  550.478   18.901  542.273   23.077  567.200   32.944  645.549   13.800  658.745   19.307 -13.19531 23.73183 
1 1 1   -5   10    3 o  1042.61   13.939  1414.94   37.644  1405.12   45.936  1435.00   65.686  1037.69   17.090  1044.71   24.273 -7.011597 29.68568 
1 1 1   -5   10    4 o  607.257   11.076  479.206   17.422  482.276   21.479  473.300   29.785  608.677   13.623  601.513   19.116 7.163696 23.47388 
1 1 1   -5   10    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   10    6 o  124.106   14.621   20.352   4.6100   35.600   11.876   17.647   5.0023  161.297   29.512  114.947   17.340 46.35033 34.22894 
1 1 1   -5   10    7 o  673.117   9.9331  588.658   17.319  545.300   34.233  603.573   20.078  644.573   20.503  681.259   11.378 -36.68597 23.44875 
1 1 1   -5   10    8 o  262.671   11.565   89.737   7.8688  127.100   16.540   78.806   8.9462  310.518   20.681  245.501   14.128 65.01799 25.04619 
1 1 1   -5   10    9 o  412.172   10.891  220.796   11.627  215.000   21.825  223.094   13.740  404.321   20.910  414.035   12.811 -9.713806 24.52272 
1 1 1   -5   10   10 o  591.425   9.5562  454.084   14.640  453.088   20.799  455.061   20.610  590.069   13.608  591.384   13.454 -1.314880 19.13611 
1 1 1   -5   10   11 o  247.342   10.283   79.414   6.5884   81.628   9.4814   77.346   9.1617  250.046   14.703  243.391   14.599 6.654770 20.72034 
1 1 1   -5   10   12 o  374.874   13.791  182.618   13.392  182.618   13.392   0.0000   0.0000  374.874   13.791  ?   ?  0.000000 13.79130 
1 1 1   -5   10   13 o  163.644   15.931   35.137   6.6675   37.820   9.8415   32.860   9.0649  168.699   23.130  157.074   22.958 11.62592 32.58939 
1 1 1   -5   10   14 o  829.975   10.869  893.465   23.367  897.507   33.302  889.544   32.795  831.235   15.467  827.566   15.299 3.669800 21.75481 
1 1 1   -5   10   15 f  392.180   15.159  199.708   15.400  200.100   23.210  199.400   20.582  391.253   23.003  390.950   20.395 0.3027649 30.74271 
1 1 1   -5   10   16 o  753.607   10.681  736.430   20.849  746.120   29.922  727.287   29.067  758.078   15.238  748.479   14.992 9.599304 21.37683 
1 1 1   -5   10   17 o  719.118   10.830  670.581   20.173  669.570   28.914  671.541   28.159  718.111   15.544  719.216   15.115 -1.105042 21.68143 
1 1 1   -5   10   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   10   19 o  302.054   11.516  118.346   9.0105  117.524   12.794  119.154   12.692  300.312   16.510  302.420   16.262 -2.108429 23.17416 
1 1 1   -5   10   20 o  1039.68   12.319  1402.66   33.176  1421.14   47.703  1385.36   46.171  1045.46   17.615  1032.30   17.267 13.16394 24.66643 
1 1 1   -5   10   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   10   22 f  786.694   12.845  803.592   26.176  848.000   47.382  784.086   31.403  805.972   22.696  776.618   15.610 29.35419 27.54571 
1 1 1   -5   10   23 o  496.510   12.250  320.111   15.755  311.500   30.197  323.332   18.468  488.022   23.888  498.768   14.294 -10.74628 27.83808 
1 1 1   -5   10   24 o  338.844   13.839  149.259   12.147  127.400   26.477  155.086   13.670  308.533   33.677  345.253   15.286 -36.72043 36.98375 
1 1 1   -5   10   25 o  285.309   19.259  106.767   14.150  106.767   14.150   0.0000   0.0000  285.309   19.259  ?   ?  0.000000 19.25869 
1 1 1   -5   10   26 o  103.889   28.173   14.736   7.7727   21.640   15.559   12.440   8.9725  127.716   41.269   97.726   31.315 29.98940 51.80441 
1 1 1   -5   10   27 o  312.728   12.567  127.272   10.180  102.542   14.140  153.876   14.667  279.070   19.688  343.272   16.495 -64.20190 25.68422 
1 1 1   -5   10   28 o   65.954   25.842   3.5350   6.4246   1.1795   8.1265   7.4607   10.491   66.573   27.929   87.320   33.337 -20.74709 43.49014 
1 1 1   -5   10   29 f   49.951   23.128  -5.6858   7.0891   6.0632   10.124 -16.9900   9.9302   82.938   32.455   49.655   24.162 33.28318 40.46181 
1 1 1   -5   10   30 o  408.178   10.872  217.162   11.495  231.112   16.966  205.325   15.628  419.674   15.607  395.685   15.248 23.98889 21.81885 
1 1 1   -5   10   31 o  157.900   17.296   33.274   6.9584   34.892   9.9327   31.714   9.7512  159.359   24.875  151.465   25.777 7.894302 35.82236 
1 1 1   -5   10   32 o  133.404   21.578   24.367   7.2017   30.781   10.490   18.649   9.9049  147.757   28.440  114.011   32.150 33.74561 42.92368 
1 1 1   -5   10   33 o   81.981   27.795   8.8104   7.0349   17.803   10.137   0.4547   9.7711  111.059   32.899   69.545   29.946 41.51387 44.48750 
1 1 1   -5   10   34 o  100.215   28.256   14.401   7.6513   13.340   11.773   15.177   10.067   99.892   35.817  103.081   33.185 -3.189034 48.82694 
1 1 1   -5   10   35 o   66.066   32.267 -27.6500   18.178 -27.6500   18.178   0.0000   0.0000   66.066   32.267  ?   ?  0.000000 32.26724 
1 1 1   -5   10   36 o  181.327   14.962   44.044   6.9646   45.953   10.167   42.355   9.5600  181.857   22.032  174.749   21.578 7.107239 30.83873 
1 1 1   -5   10   37 o  159.982   18.600   35.182   7.5639   31.420   10.124   39.935   11.380  146.133   27.760  165.310   27.547 -19.17723 39.10763 
1 1 1   -5   10   38 o   97.531   27.719   14.299   7.3331   16.548   10.436   12.106   10.307  103.100   33.829   91.748   33.426 11.35186 47.55748 
1 1 1   -5   10   39 f   83.836   28.117   10.294   7.1983   28.507   10.688  -4.8283   9.7384  135.020   31.187   58.929   27.222 76.09148 41.39671 
1 1 1   -5   10   40 o  108.871   27.554   18.250   7.7771   16.862   11.038   19.618   10.959  101.753   34.815  108.905   34.577 -7.152184 49.06812 
1 1 1   -5   10   41 o  113.994   26.220   19.953   7.5810   24.632   11.207   16.005   10.294  120.581   34.266   98.517   33.620 22.06344 48.00512 
1 1 1   -5   10   42 o   87.527   30.066   12.263   8.2345   11.439   11.827   13.039   11.472   86.977   34.748   90.013   34.736 -3.036491 49.13248 
1 1 1   -5   10   43 o   78.398   30.550   9.1488   8.9411   12.980   15.701   7.3100   10.877   89.772   38.290   76.790   32.269 12.98150 50.07376 
1 1 1   -5   10   44 o   75.918   34.105   5.0577   13.981  -8.9060   22.033   14.470   18.089   74.442   36.170   90.121   39.734 -15.67897 53.73113 
1 1 1   -5   10   45 o  106.603   29.054   19.798   8.2420   13.803   13.448   23.404   10.431   86.214   36.032  110.923   33.490 -24.70862 49.19217 
1 1 1   -5   10   46 o   62.149   27.893   1.9134   9.3282  -8.5659   13.225   12.288   13.159   58.954   28.496   81.983   35.013 -23.02901 45.14361 
1 1 1   -5   10   47 o   83.259   30.508   13.251   8.6029   10.714   13.414   15.024   11.213   77.607   34.216   85.005   33.875 -7.397995 48.14797 
1 1 1   -5   10   48 o   60.202   27.296   2.4334   9.1985   5.8190   13.169  -0.7921   12.854   69.058   31.815   62.063   29.481 6.995445 43.37413 
1 1 1   -5   11    1 o  464.416   10.580  280.312   12.728  281.497   15.774  278.100   21.547  464.968   13.096  461.059   18.042 3.909332 22.29433 
1 1 1   -5   11    2 o  639.307   19.395  535.600   32.119   0.0000   0.0000  535.600   32.119  ?   ?   639.307   19.395 0.000000 19.39549 
1 1 1   -5   11    3 o  322.791   11.025  135.471   9.2186  129.439   11.328  147.300   15.864  315.168   13.875  334.959   18.354 -19.79105 23.00821 
1 1 1   -5   11    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   11    5 o  368.007   9.6407  175.931   9.1900  165.297   13.046  186.404   12.947  356.095   14.144  378.303   13.213 -22.20798 19.35535 
1 1 1   -5   11    6 o  387.976   11.321  195.750   11.378  182.800   20.014  201.934   13.830  372.561   20.823  393.707   13.561 -21.14612 24.84913 
1 1 1   -5   11    7 o  498.526   9.4821  322.755   12.245  321.000   25.813  323.264   13.909  494.824   20.139  498.724   10.767 -3.900452 22.83645 
1 1 1   -5   11    8 o  278.094   10.191  100.451   7.3409   98.680   16.544  100.885   8.1914  272.947   23.633  278.598   11.351 -5.650787 26.21772 
1 1 1   -5   11    9 o  402.450   9.5708  210.229   9.9773  201.100   21.164  212.837   11.313  391.462   20.948  404.820   10.789 -13.35861 23.56272 
1 1 1   -5   11   10 o  266.707   10.986   92.355   7.5898   87.090   17.680   93.544   8.4036  256.044   27.067  268.350   12.090 -12.30588 29.64433 
1 1 1   -5   11   11 o  106.649   19.649   15.290   5.2282   19.780   16.747   14.806   5.5033  125.979   42.884  104.692   21.024 21.28735 47.76008 
1 1 1   -5   11   12 o  717.823   14.086  669.240   26.191  681.300   37.455  657.700   36.638  723.228   19.993  710.609   19.904 12.61877 28.21177 
1 1 1   -5   11   13 o  368.136   9.9583  175.739   9.4961  184.673   13.634  167.322   13.234  377.155   13.956  358.983   14.232 18.17221 19.93262 
1 1 1   -5   11   14 o  473.571   15.167  291.217   18.606  264.600   26.657  316.500   25.980  450.085   22.941  493.190   20.337 -43.10553 30.65746 
1 1 1   -5   11   15 o  455.268   10.037  268.736   11.836  280.161   17.085  258.194   16.412  464.593   14.197  446.006   14.206 18.58652 20.08410 
1 1 1   -5   11   16 o  359.770   11.212  167.861   10.449  176.882   15.400  160.166   14.223  369.047   16.110  351.205   15.635 17.84244 22.44950 
1 1 1   -5   11   17 o  768.552   15.788  767.088   31.431   0.0000   0.0000  767.088   31.431  ?   ?   768.552   15.788 0.000000 15.78840 
1 1 1   -5   11   18 f  237.350   13.317   73.341   8.1541   65.720   11.814   80.275   11.268  223.777   20.613  247.891   17.665 -24.11377 27.14677 
1 1 1   -5   11   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   11   20 o  618.956   10.467  496.932   16.782  480.809   23.851  512.742   23.618  608.330   15.136  628.287   14.512 -19.95685 20.96935 
1 1 1   -5   11   21 o  1108.58   12.939  1595.76   37.156  1584.01   52.572  1607.48   52.522  1103.06   18.399  1111.25   18.246 -8.187866 25.91260 
1 1 1   -5   11   22 o  709.837   10.939  653.912   20.114  669.930   29.417  639.848   27.565  717.683   15.824  701.506   15.169 16.17761 21.92039 
1 1 1   -5   11   23 o  479.405   12.579  298.561   15.621  311.600   31.920  294.454   17.912  486.877   25.398  475.858   14.532 11.01950 29.26167 
1 1 1   -5   11   24 o  270.144   22.524   96.190   15.617   0.0000   0.0000   96.190   15.617  ?   ?   270.144   22.524 0.000000 22.52359 
1 1 1   -5   11   25 o   77.470   33.641  -1.4823   12.541 -17.3300   18.554   11.850   17.018   78.225   36.618  110.559   42.399 -32.33341 56.02263 
1 1 1   -5   11   26 o  370.369   15.939  178.964   15.291  178.964   15.291   0.0000   0.0000  370.369   15.939  ?   ?  0.000000 15.93895 
1 1 1   -5   11   27 o  176.721   17.651   41.273   7.9721   35.218   11.671   46.570   10.915  160.282   29.185  186.589   23.076 -26.30742 37.20620 
1 1 1   -5   11   28 o  211.758   14.936   58.898   8.1400   46.269   11.008   74.138   12.092  185.536   23.427  236.510   19.923 -50.97346 30.75292 
1 1 1   -5   11   29 f  190.462   17.200   48.052   8.3940   37.604   11.868   58.509   11.873  164.856   28.844  208.852   22.292 -43.99577 36.45412 
1 1 1   -5   11   30 o  227.479   21.374   69.407   12.447   0.0000   0.0000   69.407   12.447  ?   ?   227.479   21.374 0.000000 21.37379 
1 1 1   -5   11   31 o  285.742   12.349  106.869   9.1401  102.250   13.045  111.324   12.811  277.217   18.269  289.755   17.144 -12.53854 25.05351 
1 1 1   -5   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   11   33 o  281.945   13.174  104.540   9.6210   98.262   13.824  110.437   13.399  270.087   19.899  287.349   18.094 -17.26199 26.89543 
1 1 1   -5   11   34 o  113.904   29.708   18.957   8.8566   9.2040   11.139   35.720   14.603   89.285   34.288  153.032   37.201 -63.74670 50.59257 
1 1 1   -5   11   35 o   46.807   22.512 -10.6993   8.0089   5.9440   16.308 -15.9895   9.1940   92.183   39.163   46.622   22.808 45.56112 45.32058 
1 1 1   -5   11   36 f  190.830   17.334   49.430   8.4747   48.258   11.561   50.792   12.460  184.249   24.857  188.137   26.285 -3.888748 36.17749 
1 1 1   -5   11   37 o  257.938   20.572   92.251   13.631   92.251   13.631   0.0000   0.0000  257.938   20.572  ?   ?  0.000000 20.57205 
1 1 1   -5   11   38 o   81.220   26.738   9.5479   6.5173   14.433   9.7621   5.6199   8.7538   96.897   32.742   73.927   29.767 22.97033 44.25097 
1 1 1   -5   11   39 o   77.753   28.375   8.3023   7.4315   16.952   10.491  -0.4088   10.529  102.604   33.931   67.002   29.883 35.60241 45.21363 
1 1 1   -5   11   40 o   86.696   28.378   11.501   7.3450   17.808   10.949   6.3411   9.9040  103.441   34.678   76.393   31.326 27.04747 46.73177 
1 1 1   -5   11   41 o  154.335   22.286   34.889   8.6512   37.759   12.299   32.077   12.172  151.552   32.316  137.224   34.329 14.32791 47.14614 
1 1 1   -5   11   42 f  192.280   17.950   52.334   8.8370   53.031   12.669   51.672   12.333  183.853   27.442  181.966   26.982 1.886703 38.48539 
1 1 1   -5   11   43 o  122.700   33.601   27.171   10.993   23.960   13.016   35.160   20.532  109.683   37.793  118.159   46.225 -8.476479 59.70784 
1 1 1   -5   11   44 f   66.893   27.225   5.7006   7.4102   8.7693   10.091   2.1095   10.917   76.569   31.535   66.793   30.059 9.776237 43.56625 
1 1 1   -5   11   45 o   85.677   29.892   13.162   8.1550   17.147   10.461   6.9877   13.021   93.420   33.730   75.032   33.363 18.38814 47.44299 
1 1 1   -5   11   46 o   85.625   30.228   13.711   8.3547   17.518   10.934   8.3703   12.951   91.740   34.250   75.224   33.370 16.51543 47.81853 
1 1 1   -5   11   47 o  111.748   29.392   23.294   8.6216   28.935   11.747   16.706   12.694  114.484   35.725   85.610   35.326 28.87399 50.24141 
1 1 1   -5   11   48 o   70.863   32.935   7.9468   14.583   11.720   22.969   5.3990   18.875   75.595   36.776   70.741   34.158 4.853302 50.19201 
1 1 1   -5   12    1 o  544.189   10.901  385.023   15.367  378.736   18.845  397.500   26.546  539.177   13.493  550.920   18.602 -11.74329 22.98043 
1 1 1   -5   12    2 o  376.041   10.898  183.842   10.615  176.383   13.086  198.200   18.154  367.921   13.731  389.169   18.009 -21.24780 22.64607 
1 1 1   -5   12    3 o  353.806   9.6300  162.600   8.8255  161.503   12.495  163.692   12.468  352.084   13.700  354.481   13.578 -2.396637 19.28901 
1 1 1   -5   12    4 o  437.029   9.5546  248.060   10.816  243.821   15.265  252.333   15.327  432.655   13.621  440.175   13.443 -7.520203 19.13765 
1 1 1   -5   12    5 o  283.003   10.633  104.071   7.7948  102.180   11.030  105.958   11.017  279.520   15.293  284.707   14.991 -5.187500 21.41472 
1 1 1   -5   12    6 o  228.081   12.024   67.822   7.0784   50.939   9.9609   85.044   10.060  196.313   19.862  255.001   15.302 -58.68721 25.07255 
1 1 1   -5   12    7 o  316.185   12.381  129.957   10.141  121.400   18.170  133.827   12.221  303.331   23.304  320.617   14.715 -17.28641 27.56070 
1 1 1   -5   12    8 o  789.743   10.695  809.750   21.879  824.000   45.216  805.393   25.001  793.547   21.997  787.315   12.259 6.231812 25.18271 
1 1 1   -5   12    9 o  217.263   13.796   61.594   7.7236   71.850   17.055   58.949   8.6628  232.025   29.011  212.265   15.870 19.75967 33.06820 
1 1 1   -5   12   10 f  486.034   11.222  306.558   14.128   0.0000   0.0000  306.558   14.128  ?   ?   486.034   11.222 0.000000 11.22159 
1 1 1   -5   12   11 o  283.409   12.905  104.263   9.4738  116.100   20.599  101.088   10.669  296.724   27.099  278.566   14.840 18.15714 30.89624 
1 1 1   -5   12   12 o  381.395   10.290  188.639   10.166  194.200   23.648  187.378   11.259  385.172   23.819  380.060   11.437 5.111359 26.42260 
1 1 1   -5   12   13 o  805.993   15.911  843.797   33.218  824.600   46.974  863.000   46.981  795.565   22.794  813.984   22.282 -18.41992 31.87605 
1 1 1   -5   12   14 o  436.254   11.884  246.873   13.429  289.600   25.381  230.260   15.827  471.749   20.770  421.159   14.507 50.58939 25.33505 
1 1 1   -5   12   15 o  592.964   10.532  455.934   16.177  466.897   23.456  445.990   22.339  599.668   15.101  586.124   14.714 13.54358 21.08388 
1 1 1   -5   12   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   12   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   12   18 o  162.024   16.370   34.461   6.7760   41.599   9.9831   28.363   9.2270  177.299   22.226  145.312   25.440 31.98672 33.78185 
1 1 1   -5   12   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   12   20 f  556.913   10.577  402.383   15.258  412.347   22.547  393.965   20.725  563.219   15.455  550.638   14.530 12.58081 21.21251 
1 1 1   -5   12   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   12   22 o  177.906   16.518   41.552   7.5252   40.656   11.640   42.196   9.8636  174.087   26.663  178.410   21.797 -4.322357 34.43845 
1 1 1   -5   12   23 o  509.193   11.685  336.777   15.412  340.700   26.714  334.821   18.869  510.685   20.195  507.338   14.358 3.347015 24.77866 
1 1 1   -5   12   24 o  177.225   49.028   44.410   23.267   44.410   23.267   0.0000   0.0000  177.225   49.028  ?   ?  0.000000 49.02843 
1 1 1   -5   12   25 o  293.336   15.225  112.459   11.529   83.930   21.411  124.109   13.682  248.462   34.172  307.815   17.229 -59.35364 38.26946 
1 1 1   -5   12   26 o  256.872   16.491   86.565   10.915  118.800   25.273   79.174   12.102  295.762   33.584  245.042   19.220 50.72034 38.69502 
1 1 1   -5   12   27 o  107.050   25.246   15.803   6.8869   8.5928   10.995   20.458   8.8345   90.868   34.262  121.415   28.567 -30.54636 44.60934 
1 1 1   -5   12   28 o  155.962   17.539   32.349   6.9628   20.502   10.436   41.852   9.3472  120.710   32.608  176.805   20.808 -56.09511 38.68115 
1 1 1   -5   12   29 o  275.668   12.851   99.350   9.1768  102.967   13.613   96.336   12.424  278.507   18.983  269.722   17.884 8.785492 26.08063 
1 1 1   -5   12   30 o  260.488   13.541   89.189   9.1049   85.302   13.170   92.746   12.601  252.433   20.314  263.980   18.546 -11.54691 27.50667 
1 1 1   -5   12   31 o  222.943   13.989   65.575   8.0374   58.758   10.746   74.231   12.109  208.942   20.102  235.054   20.081 -26.11183 28.41414 
1 1 1   -5   12   32 o   95.111   27.631   12.792   7.2118   7.4945   10.113   18.273   10.287   84.308   32.591  112.193   33.117 -27.88567 46.46469 
1 1 1   -5   12   33 o  227.188   14.508   68.469   8.4932   55.104   12.505   79.913   11.572  199.188   24.772  243.780   18.462 -44.59244 30.89488 
1 1 1   -5   12   34 o  200.335   40.254   62.560   20.164   62.560   20.164   0.0000   0.0000  200.335   40.254  ?   ?  0.000000 40.25373 
1 1 1   -5   12   35 f  160.079   19.130   35.161   7.7752   42.119   10.879   27.896   11.116  172.134   25.141  135.754   32.114 36.37981 40.78473 
1 1 1   -5   12   36 o   69.213   25.996   5.6571   6.3177   17.874   10.326  -1.6529   7.9872  107.533   33.484   58.223   25.993 49.30930 42.38844 
1 1 1   -5   12   37 o  113.525   25.395   19.058   7.2808   28.747   10.185   8.9326   10.412  137.459   29.488   84.390   32.944 53.06834 44.21407 
1 1 1   -5   12   38 o  122.132   24.935   22.093   7.6215   18.239   10.500   26.384   11.080  106.338   33.855  128.015   33.151 -21.67617 47.38300 
1 1 1   -5   12   39 o  125.276   22.752   22.935   7.1112   20.709   9.8682   25.340   10.257  112.924   32.177  125.604   31.563 -12.67942 45.07276 
1 1 1   -5   12   40 o  143.000   22.162   29.849   7.9434   24.619   11.210   35.123   11.257  120.246   34.307  148.542   30.283 -28.29595 45.76051 
1 1 1   -5   12   41 o   59.256   25.695   1.3877   7.2959   11.377   10.010  -9.9325   10.656   85.535   32.585   54.615   26.188 30.91964 41.80469 
1 1 1   -5   12   42 o   41.679   20.549 -13.9059   7.9394 -26.9196   11.138  -0.4636   11.320   43.895   22.057   65.765   29.996 -21.87047 37.23244 
1 1 1   -5   12   43 o   65.361   32.769 -33.8000   23.892 -33.8000   23.892   0.0000   0.0000   65.361   32.769  ?   ?  0.000000 32.76894 
1 1 1   -5   12   44 o   68.584   28.244   6.2494   8.0939   9.5693   12.753   4.0099   10.474   79.009   34.115   68.118   30.123 10.89069 45.51118 
1 1 1   -5   12   45 o  165.916   23.957   43.952   9.9977   34.266   14.047   53.893   14.232  123.430   39.143  169.610   33.583 -46.18011 51.57492 
1 1 1   -5   12   46 f   71.911   28.454   8.7028   7.8594   15.276   12.846   4.7706   9.9358   84.292   35.221   66.205   29.305 18.08649 45.81838 
1 1 1   -5   12   47 o   83.513   31.415   14.563   9.2324   18.068   12.707   10.643   13.437   86.249   35.439   74.872   33.549 11.37721 48.79956 
1 1 1   -5   13    1 o  262.168   12.151   89.367   8.2515   93.543   10.191   81.420   14.060  267.574   14.761  248.181   22.102 19.39305 26.57810 
1 1 1   -5   13    2 o  272.821   10.788   96.693   7.6235   87.755   10.666  106.027   10.900  258.954   15.980  284.924   14.820 -25.97000 21.79417 
1 1 1   -5   13    3 o  737.113   10.433  705.626   19.919  694.438   28.000  717.090   28.344  730.238   14.803  742.068   14.746 -11.83020 20.89394 
1 1 1   -5   13    4 o  243.392   11.472   76.962   7.2324   73.820   10.345   79.967   10.116  237.348   16.937  247.247   15.879 -9.899551 23.21626 
1 1 1   -5   13    5 o  375.768   10.107  183.291   9.8373  180.640   14.108  185.800   13.724  372.581   14.618  377.936   14.019 -5.355164 20.25399 
1 1 1   -5   13    6 o  314.345   10.833  128.283   8.8206  121.810   12.741  134.242   12.224  305.444   16.161  321.241   14.690 -15.79739 21.83947 
1 1 1   -5   13    7 o  915.985   11.581  1089.32   27.478  1081.78   38.807  1096.91   38.914  911.685   16.433  918.054   16.364 -6.368958 23.19090 
1 1 1   -5   13    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   13    9 o  517.618   13.480  347.912   18.073   0.0000   0.0000  347.912   18.073  ?   ?   517.618   13.480 0.000000 13.47966 
1 1 1   -5   13   10 o  582.958   10.180  440.736   15.372  427.000   32.274  444.767   17.483  572.429   21.766  585.506   11.527 -13.07715 24.62988 
1 1 1   -5   13   11 o  320.765   12.287  133.502   10.209  178.300   20.826  119.331   11.713  369.331   21.866  303.132   14.917 66.19885 26.46977 
1 1 1   -5   13   12 o  726.750   12.651  685.314   23.816  666.200   40.381  695.509   29.490  715.251   21.795  731.791   15.558 -16.54059 26.77835 
1 1 1   -5   13   13 o  396.320   25.819  205.800   26.361  205.800   26.361   0.0000   0.0000  396.320   25.819  ?   ?  0.000000 25.81891 
1 1 1   -5   13   14 o   85.119   30.373   8.1099   8.4564 -13.6100   23.147   11.456   9.0843   94.699   43.076   95.717   31.570 -1.018097 53.40638 
1 1 1   -5   13   15 o  553.873   11.082  397.883   15.900  388.784   22.832  406.450   22.155  547.074   16.112  559.448   15.289 -12.37390 22.21104 
1 1 1   -5   13   16 o  709.498   10.829  652.893   19.901  658.971   28.143  646.814   28.145  712.293   15.253  705.673   15.398 6.619873 21.67380 
1 1 1   -5   13   17 f  939.317   11.915  1144.86   28.991  1181.56   42.399  1112.64   39.730  953.300   17.170  925.197   16.578 28.10266 23.86740 
1 1 1   -5   13   18 o  698.276   10.729  632.539   19.407  661.312   28.518  607.722   26.486  713.356   15.433  683.914   14.951 29.44269 21.48749 
1 1 1   -5   13   19 o  308.075   11.701  123.185   9.3374  126.970   13.222  119.420   13.188  312.023   16.417  302.515   16.897 9.507721 23.55933 
1 1 1   -5   13   20 o  408.804   10.689  216.871   11.319  230.869   16.799  205.230   15.319  421.349   15.392  397.317   14.885 24.03244 21.41186 
1 1 1   -5   13   21 o  380.785   11.542  188.269   11.385  172.897   16.305  202.891   15.903  364.339   17.277  394.889   15.547 -30.55078 23.24244 
1 1 1   -5   13   22 o  423.034   12.031  232.491   13.184  235.700   22.629  230.843   16.221  424.692   20.571  421.191   14.868 3.500702 25.38126 
1 1 1   -5   13   23 o  106.744   29.120   15.545   8.2749   18.854   11.645   12.170   11.760  118.088   35.327  101.466   35.859 16.62269 50.33775 
1 1 1   -5   13   24 o  208.578   29.700   58.769   15.593   43.930   22.976   71.440   21.231  175.678   48.765  227.948   37.244 -52.26976 61.36034 
1 1 1   -5   13   25 o  302.462   12.231  119.052   9.5829  129.481   13.338  107.925   13.777  314.411   16.434  286.488   18.667 27.92389 24.87086 
1 1 1   -5   13   26 o  380.217   13.655  188.557   13.449  191.000   28.830  187.878   15.204  376.679   29.790  379.152   15.481 -2.472961 33.57279 
1 1 1   -5   13   27 o  141.610   25.447   27.483   8.9911   48.540   24.679   24.260   9.6546  180.190   50.725  131.945   29.036 48.24496 58.44777 
1 1 1   -5   13   28 o  100.047   26.408   13.938   6.9438   1.9089   10.297   23.970   9.4036   74.732   31.400  130.823   28.552 -56.09129 42.43988 
1 1 1   -5   13   29 o   90.677   26.821   11.357   6.7409   5.8346   10.268   15.539   8.9362   81.977   32.496  105.132   30.820 -23.15443 44.78645 
1 1 1   -5   13   30 o  122.941   21.889   20.812   6.7152   26.712   10.818   17.114   8.5654  136.316   31.297  109.544   29.520 26.77232 43.02250 
1 1 1   -5   13   31 o  175.335   16.912   41.110   7.5858   41.921   10.965   40.366   10.505  173.931   25.062  170.893   24.427 3.037399 34.99712 
1 1 1   -5   13   32 o  117.141   25.242   19.461   7.4333   24.102   10.882   15.401   10.178  127.793   32.730  103.727   33.363 24.06630 46.73738 
1 1 1   -5   13   33 o  307.885   15.690  126.294   12.472  129.600   16.678  122.100   18.784  308.547   20.993  296.742   24.661 11.80502 32.38648 
1 1 1   -5   13   34 o  111.023   30.205   18.361   8.9174   37.660   21.743   14.458   9.7775  147.135   48.857   99.463   32.750 47.67191 58.81804 
1 1 1   -5   13   35 o  111.901   25.928   18.355   7.3681   16.728   10.635   19.858   10.218  104.713   34.140  113.483   32.867 -8.770866 47.38966 
1 1 1   -5   13   36 o  249.148   14.020   83.173   9.0112   93.089   12.482   72.378   13.023  260.370   18.630  226.519   22.492 33.85089 29.20587 
1 1 1   -5   13   37 o  129.001   22.584   24.021   7.2715   27.542   9.5606   19.189   11.200  134.648   28.310  108.688   35.002 25.95950 45.01810 
1 1 1   -5   13   38 o  181.339   16.750   45.257   7.7789   44.223   11.756   46.061   10.375  171.308   27.418  178.531   22.967 -7.223831 35.76654 
1 1 1   -5   13   39 o  100.809   26.701   15.735   7.0829   9.1606   9.8992   22.630   10.139   81.983   32.090  117.174   32.344 -35.19030 45.56186 
1 1 1   -5   13   40 o   98.619   29.488   15.800   8.1154   19.496   11.477   12.105   11.477  105.273   35.502   88.439   34.570 16.83411 49.55322 
1 1 1   -5   13   41 o   94.932   29.797   15.046   8.1590   15.894   12.011   14.319   11.118   94.681   35.783   91.385   34.453 3.296455 49.67379 
1 1 1   -5   13   42 o   65.976   28.609   3.4076   9.0445  -6.0930   13.173   11.881   12.440   63.011   29.906   84.928   35.000 -21.91662 46.03686 
1 1 1   -5   13   43 f  101.929   35.190   20.643   11.287   37.430   19.848   12.620   13.722  117.528   45.595   84.635   35.940 32.89275 58.05684 
1 1 1   -5   13   44 o   67.872   27.705   6.4341   7.7022   5.8053   9.6139   7.5612   12.870   69.046   29.718   75.174   33.310 -6.128326 44.63988 
1 1 1   -5   13   45 o   74.410   29.815   9.4660   8.7355   9.5990   12.211   9.3266   12.502   76.072   33.114   75.827   33.243 0.2453995 46.92191 
1 1 1   -5   13   46 o   66.789   28.469   6.4823   8.6694  -0.8330   12.582   13.096   11.963   62.283   29.463   79.469   33.641 -17.18632 44.71895 
1 1 1   -5   13   47 o   47.590   23.117  -7.5559   8.9838   1.2482   12.540 -16.8397   12.877   62.445   29.501   49.923   24.879 12.52178 38.59148 
1 1 1   -5   14    1 o  223.297   12.571   64.982   7.2416   67.385   10.406   62.726   10.084  226.699   17.866  218.657   17.962 8.041733 25.33465 
1 1 1   -5   14    2 o  658.841   14.621  564.496   24.953  564.496   24.953   0.0000   0.0000  658.841   14.621  ?   ?  0.000000 14.62143 
1 1 1   -5   14    3 o  518.987   10.016  349.494   13.465  357.559   19.419  342.026   18.688  524.435   14.295  512.948   14.065 11.48657 20.05412 
1 1 1   -5   14    4 o  399.019   10.390  206.600   10.739  220.069   15.689  194.725   14.731  411.428   14.722  387.016   14.695 24.41257 20.80069 
1 1 1   -5   14    5 o  410.917   11.602  219.174   12.349  215.600   21.595  220.911   15.053  406.077   20.597  412.325   14.094 -6.248230 24.95783 
1 1 1   -5   14    6 o  213.325   18.855   59.715   10.312   67.710   14.876   52.320   14.307  226.064   25.869  197.754   28.773 28.30913 38.69246 
1 1 1   -5   14    7 o  519.301   14.231  350.268   19.143  357.000   27.569  344.000   26.602  523.490   20.331  513.921   19.983 9.568970 28.50762 
1 1 1   -5   14    8 o  358.985   15.675  167.447   14.576  167.447   14.576   0.0000   0.0000  358.985   15.675  ?   ?  0.000000 15.67487 
1 1 1   -5   14    9 o  1237.84   13.788  1989.18   44.211  1855.00   84.359  2039.99   51.911  1191.23   27.339  1253.03   15.994 -61.79785 31.67368 
1 1 1   -5   14   10 o  1041.93   12.449  1408.64   33.598  1341.00   65.991  1432.30   39.036  1013.73   25.131  1050.32   14.348 -36.59778 28.93858 
1 1 1   -5   14   11 o  701.312   15.839  638.861   28.773  644.300   41.234  633.700   40.168  703.227   22.637  697.491   22.233 5.735779 31.72878 
1 1 1   -5   14   12 o  367.387   12.934  175.147   12.309  215.300   26.231  163.809   13.939  405.492   25.097  355.170   15.151 50.32199 29.31574 
1 1 1   -5   14   13 f  586.560   11.396  446.272   17.315  471.500   39.241  440.172   19.295  601.152   25.200  582.423   12.790 18.72925 28.25980 
1 1 1   -5   14   14 f  424.929   11.999  234.263   13.207  201.800   31.851  241.004   14.514  391.137   31.710  430.935   13.003 -39.79770 34.27200 
1 1 1   -5   14   15 o  248.205   14.010   80.241   8.9707  145.700   24.660   70.257   9.6305  332.420   28.927  231.970   16.128 100.4505 33.11883 
1 1 1   -5   14   16 o  426.385   10.769  235.837   11.894  237.490   17.010  234.256   16.638  427.527   15.360  424.626   15.126 2.900299 21.55798 
1 1 1   -5   14   17 o  604.471   10.615  474.017   16.621  458.503   23.543  489.433   23.468  593.965   15.302  613.745   14.762 -19.78021 21.26151 
1 1 1   -5   14   18 o  649.748   14.793  548.703   24.896   0.0000   0.0000  548.703   24.896  ?   ?   649.748   14.793 0.000000 14.79254 
1 1 1   -5   14   19 o  281.440   13.045  102.894   9.5099   92.413   13.890  112.141   13.047  265.390   20.361  292.984   17.268 -27.59384 26.69773 
1 1 1   -5   14   20 o  502.612   10.835  327.925   14.107  330.435   20.282  325.572   19.633  503.927   15.538  500.263   15.151 3.664795 21.70210 
1 1 1   -5   14   21 o  136.915   22.614   25.174   7.7402   22.927   12.084   26.737   10.079  129.207   35.165  139.975   28.761 -10.76717 45.42849 
1 1 1   -5   14   22 o  232.600   17.978   71.030   10.748   75.630   16.026   67.270   14.489  238.264   26.411  224.813   25.323 13.45125 36.58928 
1 1 1   -5   14   23 o  344.802   20.675  156.325   18.380  131.600   27.309  176.800   24.851  312.045   34.355  365.073   26.459 -53.02820 43.36329 
1 1 1   -5   14   24 o  139.834   21.766   26.286   7.6275   33.118   10.828   19.557   10.746  155.811   27.852  119.057   33.457 36.75483 43.53260 
1 1 1   -5   14   25 o  442.654   10.674  254.854   12.239  257.175   17.526  252.644   17.098  443.689   15.250  439.823   15.008 3.866516 21.39624 
1 1 1   -5   14   26 f   61.171   26.094   0.2028   7.2931 -16.1716   10.711   14.357   9.9582   53.316   25.741  103.339   32.977 -50.02347 41.83362 
1 1 1   -5   14   27 o  117.506   30.993   19.472   9.5693   7.1770   24.062   21.781   10.430  113.477   47.856  124.002   32.189 -10.52551 57.67378 
1 1 1   -5   14   28 o  327.794   15.035  141.147   12.766  115.100   27.228  148.487   14.453  283.651   38.014  335.685   16.622 -52.03323 41.48874 
1 1 1   -5   14   29 o  259.009   13.520   88.274   9.0392   68.545   12.622  109.046   12.951  225.193   21.915  286.469   17.538 -61.27579 28.06922 
1 1 1   -5   14   30 o  252.489   13.897   84.116   9.0537   77.684   13.014   90.148   12.604  239.709   21.177  259.432   18.885 -19.72241 28.37420 
1 1 1   -5   14   31 o  267.084   18.528   95.712   12.739   0.0000   0.0000   95.712   12.739  ?   ?   267.084   18.528 0.000000 18.52839 
1 1 1   -5   14   32 o  154.527   19.973   32.667   7.8075   64.850   13.648   17.011   9.5189  215.790   24.872  107.622   31.881 108.1683 40.43532 
1 1 1   -5   14   33 o  153.772   48.646   40.870   21.706   40.870   21.706   0.0000   0.0000  153.772   48.646  ?   ?  0.000000 48.64600 
1 1 1   -5   14   34 o  107.992   27.488   17.256   7.7090   18.011   11.095   16.552   10.719  108.340   34.832  104.529   34.285 3.810516 48.87505 
1 1 1   -5   14   35 o  143.823   21.403   29.182   7.7304   38.810   10.737   18.820   11.139  163.101   26.309  109.225   34.879 53.87562 43.68940 
1 1 1   -5   14   36 f  116.118   24.084   19.781   7.0064   20.693   9.3288   18.601   10.612  115.057   30.723  107.726   34.006 7.331581 45.82933 
1 1 1   -5   14   37 o  206.770   15.795   58.340   8.3956   58.057   12.561   58.568   11.287  199.090   24.902  202.617   21.851 -3.527527 33.13020 
1 1 1   -5   14   38 o   79.557   28.288   9.2065   7.3293   13.597   10.445   4.9475   10.287   92.871   33.678   74.363   31.322 18.50774 45.99221 
1 1 1   -5   14   39 o  171.130   19.683   41.770   8.5663   46.473   12.022   36.919   12.209  173.357   27.705  149.654   32.432 23.70305 42.65497 
1 1 1   -5   14   40 o   59.283   25.004   2.5235   6.5703   6.4835   9.4992  -1.1087   9.0975   74.013   30.552   60.047   27.193 13.96572 40.90081 
1 1 1   -5   14   41 o   60.014   26.090   1.8930   7.5603  -4.7679   9.8865   11.274   11.733   56.740   26.614   84.061   34.240 -27.32089 43.36663 
1 1 1   -5   14   42 o   65.689   31.400  -6.1580   15.059  -6.1580   15.059   0.0000   0.0000   65.689   31.400  ?   ?  0.000000 31.40008 
1 1 1   -5   14   43 o   70.126   29.404   6.6603   8.9996  -2.8894   13.081   15.243   12.401   63.885   30.166   87.645   35.381 -23.76015 46.49509 
1 1 1   -5   14   44 o  115.441   30.984   24.890   9.4587   23.985   13.428   25.781   13.326  101.277   37.927  105.262   38.060 -3.985535 53.73139 
1 1 1   -5   14   45 o   77.150   28.826   10.928   7.7477   9.0349   12.095   12.245   10.089   73.899   32.541   79.152   31.927 -5.252975 45.58773 
1 1 1   -5   14   46 o   63.138   27.236   5.3749   8.1118   2.4645   10.361   9.9832   13.038   61.642   28.332   73.328   32.939 -11.68580 43.44709 
1 1 1   -5   15    1 o  243.983   26.035   78.720   16.199   78.720   16.199   0.0000   0.0000  243.983   26.035  ?   ?  0.000000 26.03451 
1 1 1   -5   15    2 o  920.521   16.398  1101.75   39.100  1116.00   55.796  1088.00   54.808  924.623   23.296  912.987   23.176 11.63599 32.86081 
1 1 1   -5   15    3 o  565.892   14.353  415.971   21.038  440.300   30.614  394.200   28.960  581.348   20.330  550.073   20.325 31.27441 28.74734 
1 1 1   -5   15    4 o  424.033   12.157  233.349   13.353  239.820   16.843  222.400   21.909  429.632   15.135  413.194   20.470 16.43839 25.45737 
1 1 1   -5   15    5 f  372.514   10.958  180.011   10.574  175.164   15.057  184.727   14.853  367.146   15.833  377.084   15.206 -9.937561 21.95234 
1 1 1   -5   15    6 o  341.522   11.390  151.316   10.076  155.734   14.616  147.315   13.909  346.169   16.300  336.708   15.947 9.461792 22.80378 
1 1 1   -5   15    7 o  185.142   16.128   44.874   7.6571   38.159   10.681   51.973   10.983  169.184   25.137  198.579   21.705 -29.39467 33.21110 
1 1 1   -5   15    8 o  700.083   10.813  635.677   19.609  634.690   27.942  636.636   27.525  699.025   15.432  700.129   15.177 -1.103882 21.64455 
1 1 1   -5   15    9 o  713.640   23.104  663.800   42.708  663.800   42.708   0.0000   0.0000  713.640   23.104  ?   ?  0.000000 23.10380 
1 1 1   -5   15   10 o  845.832   16.764  929.679   36.729  899.200   51.159  962.100   52.764  830.456   23.782  859.027   23.713 -28.57141 33.58401 
1 1 1   -5   15   11 o  669.763   23.185  584.700   40.223  584.700   40.223   0.0000   0.0000  669.763   23.185  ?   ?  0.000000 23.18494 
1 1 1   -5   15   12 o  442.132   13.566  253.745   15.537  332.900   32.768  230.789   17.646  505.062   25.047  421.461   16.164 83.60049 29.80981 
1 1 1   -5   15   13 o  424.655   11.955  233.981   13.150  225.500   30.361  235.939   14.589  414.190   28.471  426.343   13.211 -12.15295 31.38680 
1 1 1   -5   15   14 o  373.297   11.984  180.830   11.588  185.800   28.419  179.839   12.691  375.453   29.458  372.199   13.163 3.254761 32.26506 
1 1 1   -5   15   15 o  473.300   11.017  290.638   13.507  351.400   31.377  276.818   14.965  518.848   23.347  461.793   12.510 57.05557 26.48718 
1 1 1   -5   15   16 o  384.063   11.945  191.463   11.883  258.500   29.880  178.869   12.951  443.668   26.115  371.104   13.473 72.56369 29.38598 
1 1 1   -5   15   17 o  472.822   25.717  293.600   31.378  293.600   31.378   0.0000   0.0000  472.822   25.717  ?   ?  0.000000 25.71654 
1 1 1   -5   15   18 o  290.409   18.867  110.397   14.116  110.397   14.116   0.0000   0.0000  290.409   18.867  ?   ?  0.000000 18.86682 
1 1 1   -5   15   19 o  248.255   13.739   80.366   8.8003   81.939   13.256   79.127   11.767  249.620   20.689  245.626   18.634 3.993362 27.84291 
1 1 1   -5   15   20 o  157.034   20.727   32.785   8.2248   35.229   12.042   30.648   11.261  160.866   30.002  149.785   30.068 11.08060 42.47633 
1 1 1   -5   15   21 o  155.630   21.681   32.323   8.5028   32.720   14.193   32.100   10.619  153.510   36.269  153.755   27.682 -0.2441711 45.62609 
1 1 1   -5   15   22 o  163.862   25.654   36.215   10.532   34.197   12.364   41.550   20.105  157.742   31.363  171.231   44.809 -13.48914 54.69458 
1 1 1   -5   15   23 o  301.780   15.585  119.180   12.141   90.330   26.954  126.524   13.599  253.992   42.468  310.671   16.963 -56.67926 45.73068 
1 1 1   -5   15   24 o  269.852   13.329   94.941   9.3170   93.792   13.371   96.025   12.990  266.530   19.503  269.909   18.694 -3.378235 27.01549 
1 1 1   -5   15   25 o  248.449   14.125   80.907   9.0526   98.210   13.132   65.236   12.497  272.651   18.707  221.013   22.126 51.63730 28.97373 
1 1 1   -5   15   26 o   94.138   26.334   12.251   6.6731   0.2744   10.087   21.571   8.8987   71.218   30.541  124.138   28.302 -52.92032 41.63882 
1 1 1   -5   15   27 o  109.025   23.997   16.526   6.5934   3.6440   10.773   24.240   8.3370   79.039   32.572  132.214   25.265 -53.17467 41.22161 
1 1 1   -5   15   28 o   65.585   26.195   3.3111   6.7191   47.860   24.932  -0.1779   6.9772  173.065   51.671   58.557   25.260 114.5081 57.51463 
1 1 1   -5   15   29 o   90.596   29.439   11.228   7.9099   1.9530   21.423   12.691   8.5113   99.595   43.594   95.559   30.486 4.036369 53.19624 
1 1 1   -5   15   30 o   87.870   26.451   10.814   6.5137   18.645   9.2524   3.1195   9.1718  113.209   30.754   72.378   29.961 40.83087 42.93499 
1 1 1   -5   15   31 o  192.456   16.883   49.715   8.3317   36.695   12.230   60.990   11.381  158.668   30.868  211.344   21.070 -52.67619 37.37395 
1 1 1   -5   15   32 o  115.857   27.310   19.549   8.0622   22.770   9.8876   13.160   13.926  123.624   30.948  100.471   38.396 23.15289 49.31595 
1 1 1   -5   15   33 o  229.170   19.106   71.744   11.238   68.740   25.612   72.460   12.506  196.365   50.169  228.873   21.342 -32.50739 54.52002 
1 1 1   -5   15   34 o  157.099   18.865   34.097   7.5232   28.499   10.533   39.928   10.749  136.859   30.492  165.938   25.851 -29.07867 39.97491 
1 1 1   -5   15   35 o  131.122   19.855   24.197   6.5327   21.062   9.7747   26.728   8.7820  115.677   31.687  134.251   26.194 -18.57460 41.11217 
1 1 1   -5   15   36 o   64.147   26.355   3.4290   7.0269   1.5098   10.876   4.8042   9.2064   70.668   30.993   72.543   30.022 -1.875008 43.14966 
1 1 1   -5   15   37 o   57.083   25.375  -0.6391   7.5262   9.7955   10.713 -10.8063   10.575   84.600   33.301   54.424   26.095 30.17653 42.30721 
1 1 1   -5   15   38 o   96.957   27.998   14.885   7.4247   17.468   10.015   11.734   11.064  102.007   33.124   87.993   34.068 14.01336 47.51642 
1 1 1   -5   15   39 o   86.437   27.886   11.884   7.1061   16.399   10.936   8.5847   9.3486   97.192   34.555   78.489   31.040 18.70253 46.44945 
1 1 1   -5   15   40 o   57.679   27.431  -7.4139   11.193   0.0000   0.0000  -7.4139   11.193  ?   ?    57.679   27.431 0.000000 27.43124 
1 1 1   -5   15   41 o   61.865   27.573   1.3421   8.9481 -13.7100   15.538   8.8111   10.945   61.399   29.953   77.726   32.497 -16.32711 44.19558 
1 1 1   -5   15   42 o   93.070   35.571   17.640   11.953 -14.8400   20.724   33.830   14.631   67.473   33.254  122.700   40.046 -55.22734 52.05295 
1 1 1   -5   15   43 o   70.758   28.319   7.8491   7.8707   9.2037   9.8217   5.4182   13.158   74.831   30.992   71.849   32.603 2.981270 44.98317 
1 1 1   -5   15   44 o   68.905   28.900   7.1819   8.6977   3.1555   12.297   11.213   12.304   66.886   30.787   77.628   33.515 -10.74286 45.50951 
1 1 1   -5   15   45 o   93.476   31.463   18.145   9.0140   29.829   13.519   8.7914   12.095  107.582   38.401   72.091   32.100 35.49139 50.05011 
1 1 1   -5   15   46 o   91.285   32.288   18.917   9.5362   17.423   13.372   20.463   13.603   81.343   35.029   85.719   36.057 -4.376579 50.27081 
1 1 1   -5   16    1 o  188.993   18.784   46.922   9.0739   48.302   10.902   43.810   16.371  191.220   22.436  179.272   36.496 11.94749 42.84053 
1 1 1   -5   16    2 o  378.743   12.862  186.177   12.618  196.119   15.508  166.700   21.706  388.546   15.408  356.729   23.624 31.81723 28.20519 
1 1 1   -5   16    3 o  283.854   12.348  104.556   9.0788   94.045   13.067  114.365   12.623  268.200   18.931  296.188   16.519 -27.98828 25.12457 
1 1 1   -5   16    4 o  607.521   10.589  478.689   16.664  485.215   23.940  472.555   23.210  611.202   15.121  603.205   14.855 7.996704 21.19708 
1 1 1   -5   16    5 o  243.768   14.238   77.417   8.9515   80.260   13.191   74.991   12.187  247.416   20.775  239.232   19.846 8.184860 28.73091 
1 1 1   -5   16    6 o  651.422   10.694  550.371   18.044  532.239   25.154  569.592   25.899  640.147   15.170  662.238   15.098 -22.09113 21.40236 
1 1 1   -5   16    7 o  570.577   12.702  422.481   18.773  430.300   34.798  419.271   22.296  574.481   23.384  568.169   15.149 6.311707 27.86255 
1 1 1   -5   16    8 o  806.906   16.716  846.151   34.939  846.100   49.955  846.200   48.885  805.441   23.944  805.609   23.426 -0.1676636 33.49762 
1 1 1   -5   16    9 o  559.559   13.442  406.423   19.483  396.041   23.859  427.200   33.753  552.035   16.686  572.498   22.761 -20.46313 28.22155 
1 1 1   -5   16   10 o  785.860   24.320  805.800   49.506  805.800   49.506   0.0000   0.0000  785.860   24.320  ?   ?  0.000000 24.32009 
1 1 1   -5   16   11 o  640.756   11.358  532.641   18.851  536.900   39.444  531.380   21.461  641.506   23.737  639.837   12.949 1.669556 27.03919 
1 1 1   -5   16   12 o  493.517   11.200  315.987   14.317  334.500   30.055  310.553   16.283  506.389   22.913  489.122   12.852 17.26642 26.27119 
1 1 1   -5   16   13 f  470.930   12.817  287.916   15.635  269.400   29.524  295.133   18.432  453.305   25.244  476.594   14.931 -23.28891 29.32902 
1 1 1   -5   16   14 o  370.047   11.927  177.740   11.432  190.900   28.204  175.153   12.506  380.439   28.834  367.257   13.146 13.18164 31.68961 
1 1 1   -5   16   15 o  219.310   16.466   62.920   9.2856   93.110   24.157   57.686   10.058  262.922   36.450  209.618   18.722 53.30467 40.97727 
1 1 1   -5   16   16 o  241.211   17.275   76.138   10.722   87.440   25.322   73.669   11.836  253.462   39.887  236.917   19.458 16.54494 44.37970 
1 1 1   -5   16   17 o  325.189   13.710  137.457   11.549  171.400   28.902  131.008   12.598  359.091   31.388  317.325   15.327 41.76566 34.93008 
1 1 1   -5   16   18 o  505.056   11.537  331.298   15.093  320.500   35.388  333.699   16.687  492.688   27.843  506.731   12.713 -14.04227 30.60822 
1 1 1   -5   16   19 o  451.738   15.769  265.828   18.452   0.0000   0.0000  265.828   18.452  ?   ?   451.738   15.769 0.000000 15.76890 
1 1 1   -5   16   20 o   87.421   28.565   9.7639   7.4435   12.680   12.803   8.2750   9.1485  104.333   37.357   86.588   31.501 17.74441 48.86552 
1 1 1   -5   16   21 o  195.543   22.421   50.870   11.151   51.884   12.950   47.960   21.930  196.612   26.072  183.402   46.187 13.20921 53.03792 
1 1 1   -5   16   22 o  155.964   25.385   32.947   9.9028   28.680   25.647   33.694   10.735  148.801   52.916  157.254   27.348 -8.452698 59.56541 
1 1 1   -5   16   23 o  246.688   14.181   79.678   9.0237   83.762   13.707   76.554   11.988  251.300   21.256  240.652   19.396 10.64798 28.77545 
1 1 1   -5   16   24 o  202.165   15.206   53.777   7.9044   52.851   12.096   54.467   10.442  198.104   24.066  202.272   20.200 -4.168182 31.42049 
1 1 1   -5   16   25 o   70.694   26.191   5.3786   6.3697   3.3136   8.9542   7.4941   9.0629   73.362   29.900   83.300   31.166 -9.937881 43.18944 
1 1 1   -5   16   26 o  160.043   19.276   34.398   7.8302   27.342   11.248   41.032   10.906  138.395   32.014  173.039   25.062 -34.64424 40.65764 
1 1 1   -5   16   27 o  285.062   12.832  106.503   9.4749   98.495   13.339  114.658   13.461  271.587   19.082  293.685   17.778 -22.09827 26.08075 
1 1 1   -5   16   28 o  120.874   22.714   20.292   6.8505   27.144   9.2277   11.879   10.225  138.780   26.638   95.089   33.455 43.69070 42.76490 
1 1 1   -5   16   29 o  224.897   19.092   68.127   11.017   55.580   26.151   70.834   12.148  181.479   52.586  228.573   20.743 -47.09468 56.52965 
1 1 1   -5   16   30 o  173.937   21.608   41.584   9.5258   26.610   19.357   46.368   10.942  130.576   46.021  182.792   23.666 -52.21591 51.74971 
1 1 1   -5   16   31 o  141.511   23.061   28.097   8.1619   22.510   12.796   31.929   10.598  120.854   37.216  148.207   28.642 -27.35266 46.96124 
1 1 1   -5   16   32 o   79.203   34.431   1.9436   13.166   27.190   22.219 -11.7200   16.346  127.835   48.583   71.845   33.862 55.99018 59.21989 
1 1 1   -5   16   33 o  153.800   19.018   32.707   7.4151   39.299   11.376   27.837   9.7776  163.335   27.889  136.523   28.566 26.81161 39.92284 
1 1 1   -5   16   34 o  124.757   22.483   22.399   6.9983   26.402   9.5341   17.722   10.305  131.852   28.728  105.775   33.524 26.07671 44.14890 
1 1 1   -5   16   35 o  253.776   14.627   87.072   9.5744   96.162   13.997   79.079   13.126  261.205   20.861  235.956   21.719 25.24919 30.11492 
1 1 1   -5   16   36 o   69.270   27.393   5.4515   7.2807   0.5576   10.370   10.210   10.225   67.378   29.876   84.984   32.794 -17.60573 44.36184 
1 1 1   -5   16   37 o  108.863   27.573   18.630   7.7839   12.148   10.780   25.690   11.251   88.809   33.820  122.765   34.141 -33.95635 48.05581 
1 1 1   -5   16   38 o  201.612   16.612   56.626   8.5980   54.817   12.559   58.221   11.796  188.844   26.395  197.829   23.477 -8.985214 35.32563 
1 1 1   -5   16   39 o  120.914   27.999   23.754   8.5965   15.523   12.502   31.135   11.839   93.271   36.187  132.105   34.296 -38.83410 49.85671 
1 1 1   -5   16   40 f  199.419   17.667   56.970   9.0315   60.177   12.764   53.755   12.781  194.906   25.926  181.390   28.111 13.51575 38.24113 
1 1 1   -5   16   41 o  151.992   41.208   50.120   16.631   50.120   16.631   0.0000   0.0000  151.992   41.208  ?   ?  0.000000 41.20804 
1 1 1   -5   16   42 o   72.057   30.097   7.8570   9.3749  -3.0918   13.626   17.698   12.918   63.844   30.335   90.446   36.252 -26.60200 47.26936 
1 1 1   -5   16   43 o   83.970   31.751   13.962   9.4596   5.8855   13.550   21.641   13.212   71.479   32.686   95.271   37.133 -23.79208 49.46945 
1 1 1   -5   16   44 f  133.145   25.109   30.109   8.3421   36.011   12.720   25.655   11.050  126.575   36.675  107.442   34.786 19.13304 50.54819 
1 1 1   -5   16   45 o   43.285   21.111  -8.2572   7.7058 -16.1292   9.6944   5.2518   12.700   43.062   21.480   66.531   30.858 -23.46854 37.59816 
1 1 1   -5   16   46 o   57.193   28.238  -7.3039   15.177   16.150   22.127 -28.1400   20.856   73.620   35.878   55.068   27.959 18.55151 45.48493 
1 1 1   -5   17    1 o  862.225   11.720  964.518   26.176  1004.56   38.149  928.896   35.983  879.150   16.752  845.450   16.431 33.69995 23.46498 
1 1 1   -5   17    2 o  1276.84   16.430  2118.67   54.339  2170.05   68.016  2028.00   90.348  1291.07   20.338  1245.21   28.011 45.85803 34.61572 
1 1 1   -5   17    3 o  923.623   14.044  1107.61   33.599  1137.77   41.863  1053.00   56.323  935.522   17.275  898.380   24.203 37.14233 29.73609 
1 1 1   -5   17    4 o  264.112   14.429   90.849   9.8342   90.612   15.019   91.026   13.011  262.759   22.277  263.811   19.171 -1.051758 29.39021 
1 1 1   -5   17    5 o  682.669   13.399  604.958   23.694  614.600   42.591  600.637   28.514  686.384   23.955  679.873   16.191 6.511353 28.91368 
1 1 1   -5   17    6 o  528.957   17.002  363.713   23.296  352.100   34.261  373.700   31.771  519.259   25.472  535.369   22.910 -16.10992 34.25928 
1 1 1   -5   17    7 o  447.357   14.897  259.940   17.263  256.624   20.976  266.900   30.389  444.178   18.231  451.237   26.111 -7.058655 31.84536 
1 1 1   -5   17    8 o  574.716   16.683  429.360   24.836  429.360   24.836   0.0000   0.0000  574.716   16.683  ?   ?  0.000000 16.68330 
1 1 1   -5   17    9 o  283.276   15.465  104.576   11.305  104.693   17.304  104.490   14.932  282.231   23.893  282.490   20.548 -0.2592163 31.51341 
1 1 1   -5   17   10 o  258.240   16.760   87.077   11.150   84.881   16.348   88.987   15.247  253.639   25.217  260.177   22.856 -6.537415 34.03360 
1 1 1   -5   17   11 o  622.653   11.091  503.049   17.889  563.700   40.721  488.546   19.913  656.920   23.931  613.456   12.531 43.46436 27.01353 
1 1 1   -5   17   12 o  861.446   11.839  963.241   26.417  926.400   53.657  975.028   30.350  841.734   24.609  866.409   13.523 -24.67505 28.08040 
1 1 1   -5   17   13 o  577.970   12.645  433.801   18.931  576.000   38.864  389.560   21.677  664.056   22.594  547.368   15.289 116.6874 27.28050 
1 1 1   -5   17   14 o  470.606   11.527  287.518   14.052  303.600   31.751  283.601   15.670  480.697   25.592  467.244   12.947 13.45319 28.68049 
1 1 1   -5   17   15 o  439.375   13.865  250.952   15.780  315.500   33.650  232.754   17.867  489.543   26.637  422.847   16.312 66.69656 31.23484 
1 1 1   -5   17   16 o  518.508   10.997  349.074   14.769  387.800   33.008  339.380   16.515  544.114   23.420  511.074   12.475 33.04001 26.53514 
1 1 1   -5   17   17 o  571.919   11.608  424.919   17.197  443.400   39.456  420.585   19.108  580.624   26.234  568.781   12.969 11.84265 29.26472 
1 1 1   -5   17   18 o  621.019   13.292  501.672   21.381   0.0000   0.0000  501.672   21.381  ?   ?   621.019   13.292 0.000000 13.29161 
1 1 1   -5   17   19 f  347.863   14.556  157.630   13.116  114.300   27.165  170.803   14.977  289.618   37.060  361.893   15.977 -72.27557 40.35720 
1 1 1   -5   17   20 o  387.634   16.271  196.180   16.337  156.900   31.207  211.010   19.175  339.734   36.011  401.562   18.434 -61.82816 40.45502 
1 1 1   -5   17   21 o  332.189   15.004  144.032   12.911  116.900   29.830  150.286   14.322  289.839   40.867  339.087   16.305 -49.24774 43.99965 
1 1 1   -5   17   22 o  180.144   16.667   42.844   7.6893   54.173   12.596   36.114   9.7082  200.685   24.755  163.620   23.588 37.06483 34.19340 
1 1 1   -5   17   23 o  167.246   19.096   37.293   8.1244   43.052   12.397   32.957   10.756  177.221   27.930  154.616   27.883 22.60495 39.46556 
1 1 1   -5   17   24 o  118.328   24.746   19.388   7.3408   27.756   10.405   11.095   10.358  140.706   29.492   94.743   33.635 45.96317 44.73376 
1 1 1   -5   17   25 o   86.238   26.584   10.123   6.5272   4.6268   8.6038   17.576   10.019   74.859   29.723  111.393   32.627 -36.53391 44.13566 
1 1 1   -5   17   26 o  239.782   14.034   75.795   8.6787   77.051   13.020   74.791   11.642  239.109   21.243  236.401   19.178 2.707520 28.61894 
1 1 1   -5   17   27 o  143.766   19.338   28.050   7.0189   21.466   11.259   32.235   8.9767  120.955   34.336  152.772   23.432 -31.81726 41.56951 
1 1 1   -5   17   28 o   48.011   21.645  -2.4729   5.6892 -13.7326   8.8142   5.5681   7.4486   47.423   23.004   73.116   28.048 -25.69298 36.27488 
1 1 1   -5   17   29 o  185.395   15.824   45.974   7.5264   28.143   11.080   61.250   10.256  138.083   31.654  212.872   18.792 -74.78870 36.81219 
1 1 1   -5   17   30 o  153.678   24.842   33.419   9.5513   0.0000   0.0000   33.419   9.5513  ?   ?   153.678   24.842 0.000000 24.84152 
1 1 1   -5   17   31 o  351.584   27.268  176.500   24.639  176.500   24.639   0.0000   0.0000  351.584   27.268  ?   ?  0.000000 27.26754 
1 1 1   -5   17   32 o  129.330   29.209   25.183   9.5540   69.880   23.915   16.694   10.422  198.808   47.153  104.118   33.789 94.69025 58.00983 
1 1 1   -5   17   33 o  206.740   15.386   57.872   8.1807   57.352   11.069   58.497   12.144  201.734   21.514  202.111   23.644 -0.3770447 31.96700 
1 1 1   -5   17   34 o  176.616   18.586   43.440   8.3751   45.743   12.019   41.267   11.677  174.504   27.500  164.917   28.356 9.587357 39.50133 
1 1 1   -5   17   35 o   94.985   28.153   14.076   7.4212   21.511   10.543   6.7736   10.448  113.695   33.518   78.126   32.122 35.56927 46.42456 
1 1 1   -5   17   36 o  152.361   21.297   33.618   8.1752   35.907   11.881   31.559   11.266  148.443   31.853  138.714   32.006 9.729340 45.15530 
1 1 1   -5   17   37 o  168.779   18.998   40.613   8.1613   33.457   12.317   46.214   10.897  139.091   34.382  174.926   24.739 -35.83508 42.35701 
1 1 1   -5   17   38 o  119.379   27.486   22.962   8.3236   13.628   11.633   32.752   11.915   89.596   34.866  136.389   33.877 -46.79257 48.61349 
1 1 1   -5   17   39 o  157.797   20.735   36.985   8.2702   48.063   11.737   26.062   11.655  172.881   27.101  116.879   35.426 56.00142 44.60370 
1 1 1   -5   17   40 o   89.065   32.419   14.756   9.6915   21.460   15.926   10.814   12.213   97.220   39.779   80.775   34.081 16.44523 52.38203 
1 1 1   -5   17   41 o   67.712   33.594 -15.9800   22.447 -15.9800   22.447   0.0000   0.0000   67.712   33.594  ?   ?  0.000000 33.59434 
1 1 1   -5   17   42 o  103.981   29.699   20.218   8.3967   29.875   10.792   5.4048   13.366  122.702   33.165   70.812   32.411 51.88987 46.37184 
1 1 1   -5   17   43 o   44.526   21.790 -10.0222   8.4132 -22.9074   11.735   3.6062   12.068   45.148   22.680   66.051   30.439 -20.90310 37.95977 
1 1 1   -5   17   44 o   95.237   30.370   18.646   8.4472   27.485   13.893   13.461   10.640   99.005   38.220   78.291   32.327 20.71408 50.05808 
1 1 1   -5   17   45 o  109.929   32.417   26.851   9.8606   27.697   14.001   26.018   13.889   94.641   37.809   92.016   37.339 2.624886 53.13854 
1 1 1   -5   18    1 o  460.313   18.042  275.623   21.512  292.600   31.682  261.100   29.303  472.481   25.986  446.357   25.450 26.12436 36.37305 
1 1 1   -5   18    2 o  474.041   17.742  292.273   21.785  296.900   31.073  287.800   30.551  476.090   25.287  468.723   25.256 7.367035 35.73957 
1 1 1   -5   18    3 o  801.034   16.906  834.263   35.078  842.800   51.002  826.600   48.323  803.415   24.508  795.930   23.438 7.484436 33.91136 
1 1 1   -5   18    4 o  406.939   14.293  215.078   15.066  193.761   17.825  268.400   28.192  385.947   17.830  452.797   24.123 -66.84995 29.99723 
1 1 1   -5   18    5 o  475.076   11.763  292.876   14.476  309.235   21.773  279.917   19.379  487.624   17.238  464.053   16.122 23.57089 23.60195 
1 1 1   -5   18    6 o  251.644   16.667   82.698   10.802   83.157   15.654   82.280   14.926  251.176   24.367  250.020   23.316 1.155411 33.72486 
1 1 1   -5   18    7 o  426.634   12.328  236.266   13.624  240.009   19.885  232.955   18.704  429.471   17.875  423.201   17.062 6.270538 24.71112 
1 1 1   -5   18    8 o  431.750   11.902  241.947   13.311  243.434   18.948  240.498   18.702  432.600   16.909  429.997   16.791 2.603119 23.82996 
1 1 1   -5   18    9 o  178.763   20.988   42.236   9.5336   49.436   13.747   35.566   13.233  192.139   28.484  161.543   32.745 30.59619 43.39965 
1 1 1   -5   18   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   18   11 o  1096.98   13.304  1563.35   37.802  1582.46   54.019  1545.01   52.919  1101.94   18.925  1088.87   18.762 13.06238 26.64934 
1 1 1   -5   18   12 o  559.205   11.399  405.977   16.511  477.900   38.027  389.268   18.329  604.167   24.299  547.389   12.927 56.77808 27.52339 
1 1 1   -5   18   13 o  505.735   11.640  332.135   15.249  306.500   34.233  338.482   17.032  482.158   27.523  510.392   12.883 -28.23328 30.38941 
1 1 1   -5   18   14 o  532.491   12.868  368.508   17.749  335.600   33.214  381.661   20.999  505.005   25.473  541.581   14.969 -36.57553 29.54528 
1 1 1   -5   18   15 o  259.294   14.868   87.794   9.9443   89.590   27.403   87.521   10.672  254.664   43.078  258.723   16.003 -4.059052 45.95402 
1 1 1   -5   18   16 o  350.208   13.075  159.508   11.861  174.800   30.036  156.682   12.910  361.422   32.428  346.943   14.366 14.47931 35.46770 
1 1 1   -5   18   17 o  191.306   26.333   49.124   12.703   0.0000   0.0000   49.124   12.703  ?   ?   191.306   26.333 0.000000 26.33252 
1 1 1   -5   18   18 o  444.178   13.829  256.957   15.911  278.800   30.472  248.768   18.657  458.854   25.741  436.529   16.500 22.32587 30.57531 
1 1 1   -5   18   19 o  136.792   35.541   26.153   12.708   24.120   26.988   26.732   14.405  143.374   53.754  138.229   38.698 5.145035 66.23409 
1 1 1   -5   18   20 o  400.369   14.674  209.254   15.218  158.000   32.053  224.170   17.291  339.079   37.099  414.055   16.122 -74.97672 40.45069 
1 1 1   -5   18   21 o   65.113   28.037  -0.3264   8.5643 -43.6000   26.158   4.8691   9.0639   79.500   38.802   77.492   30.590 2.008018 49.40963 
1 1 1   -5   18   22 o  238.184   16.686   74.826   10.230   74.600   27.089   74.863   11.048  224.291   48.072  237.877   18.064 -13.58626 51.35416 
1 1 1   -5   18   23 o  340.122   15.343  151.846   13.518   80.470   28.330  172.887   15.381  230.756   48.915  362.587   16.377 -131.8307 51.58327 
1 1 1   -5   18   24 o  194.370   15.361   49.993   7.6709   50.752   12.059   49.477   9.9418  192.695   24.730  191.852   20.314 0.8429260 32.00381 
1 1 1   -5   18   25 f  157.465   18.773   33.401   7.5061   44.942   10.944   23.150   10.314  181.010   23.928  126.610   31.561 54.40015 39.60601 
1 1 1   -5   18   26 o   81.887   26.444   9.0859   6.3889   7.8198   8.5212   10.711   9.6553   81.698   30.288   91.146   32.462 -9.448128 44.39759 
1 1 1   -5   18   27 o   60.337   25.629   0.8847   6.9820   5.0452   10.227  -2.7478   9.5556   78.947   32.038   63.255   28.321 15.69126 42.76144 
1 1 1   -5   18   28 o  146.501   21.073   29.603   7.7665   32.809   11.337   26.768   10.661  149.967   30.229  134.692   31.174 15.27527 43.42353 
1 1 1   -5   18   29 o  227.240   15.233   68.996   8.9148   92.630   14.369   54.206   11.367  259.638   21.560  197.640   22.610 61.99800 31.24204 
1 1 1   -5   18   30 o   66.587   27.538   2.9732   7.7383  -1.3621   9.9779   9.5160   12.258   65.679   29.205   90.048   35.565 -24.36876 46.01970 
1 1 1   -5   18   31 o  155.845   25.630   35.208   9.9866   47.200   23.707   32.621   11.011  156.935   50.964  147.153   29.907 9.781296 59.09109 
1 1 1   -5   18   32 o  177.535   21.413   44.511   9.6482   57.640   18.673   39.729   11.269  184.979   40.125  163.322   27.622 21.65659 48.71348 
1 1 1   -5   18   33 o  178.605   23.089   46.064   10.432   39.200   23.166   47.809   11.684  136.641   50.063  179.776   25.832 -43.13498 56.33464 
1 1 1   -5   18   34 o   75.882   27.747   8.0344   7.1113   2.1239   10.013   14.051   10.102   68.843   29.976   93.893   33.229 -25.05016 44.75231 
1 1 1   -5   18   35 o   84.791   27.808   11.128   7.0517   16.810   10.765   6.8568   9.3328   99.700   34.369   75.640   30.638 24.05964 46.04251 
1 1 1   -5   18   36 o   87.112   27.970   12.065   7.1555   4.8691   11.109   17.168   9.3544   74.174   31.935  100.702   31.943 -26.52837 45.16846 
1 1 1   -5   18   37 o   59.538   25.209   2.5920   6.7195   7.5492   9.2194  -3.0253   9.8140   75.232   30.458   59.049   27.295 16.18279 40.89930 
1 1 1   -5   18   38 o   71.444   28.273   7.1459   7.7607  -1.3840   11.128   15.224   10.829   63.412   29.225   91.425   34.094 -28.01225 44.90600 
1 1 1   -5   18   39 o  112.839   30.360   22.669   9.0685   4.6475   13.293   38.359   12.403   73.025   32.988  143.737   33.868 -70.71224 47.27842 
1 1 1   -5   18   40 o  104.133   35.416   22.838   11.422   22.838   11.422   0.0000   0.0000  104.133   35.416  ?   ?  0.000000 35.41641 
1 1 1   -5   18   41 o  117.290   30.488   25.797   9.3484   34.137   13.552   18.225   12.913  121.468   38.438   89.310   36.086 32.15808 52.72284 
1 1 1   -5   18   42 o   91.496   32.223   17.640   9.4878   19.704   13.601   15.684   13.242   88.841   36.602   82.694   35.215 6.146744 50.79205 
1 1 1   -5   18   43 o   59.241   26.259   3.4835   8.0042   21.992   12.156 -10.6847   10.635   92.965   35.789   49.199   24.163 43.76593 43.18239 
1 1 1   -5   18   44 o   51.821   24.063  -0.3158   7.7549   11.577   9.9738 -18.4974   12.332   73.117   30.822   47.191   23.642 25.92646 38.84476 
1 1 1   -5   18   45 o   63.320   31.898  -3.9120   24.079  -3.9120   24.079   0.0000   0.0000   63.320   31.898  ?   ?  0.000000 31.89782 
1 1 1   -5   19    1 o  441.139   11.489  252.555   13.128  250.354   19.184  254.493   18.004  438.695   16.882  442.437   15.710 -3.741669 23.06051 
1 1 1   -5   19    2 o  653.596   11.232  554.358   19.016  552.335   27.215  556.288   26.582  651.726   16.121  654.123   15.688 -2.397766 22.49467 
1 1 1   -5   19    3 o  549.512   11.308  391.875   16.096  394.987   23.208  388.992   22.344  551.099   16.257  546.968   15.770 4.131531 22.64974 
1 1 1   -5   19    4 o  431.675   13.424  242.039   15.010  251.472   18.895  225.900   24.714  439.673   16.591  415.245   23.068 24.42810 28.41410 
1 1 1   -5   19    5 o  832.787   13.795  901.026   29.759  877.917   36.298  948.400   51.972  821.364   17.061  851.874   23.553 -30.50934 29.08271 
1 1 1   -5   19    6 o  899.324   14.088  1050.98   32.818  1046.89   40.334  1059.00   56.453  896.800   17.363  899.832   24.220 -3.032227 29.80063 
1 1 1   -5   19    7 o  590.052   11.562  451.964   17.671  464.921   25.902  440.682   24.170  597.696   16.730  582.022   16.032 15.67474 23.17150 
1 1 1   -5   19    8 o  363.133   13.462  171.339   12.662  163.690   18.628  177.910   17.264  353.614   20.424  369.555   18.035 -15.94150 27.24710 
1 1 1   -5   19    9 o  613.157   11.588  488.147   18.405  489.365   26.590  487.028   25.500  613.087   16.743  611.743   16.093 1.344177 23.22313 
1 1 1   -5   19   10 o  572.114   11.785  425.071   17.465  425.848   25.195  424.353   24.231  571.799   17.010  570.910   16.386 0.8887939 23.61864 
1 1 1   -5   19   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   19   12 f  181.446   28.123   44.337   12.790   58.660   23.672   38.432   15.200  204.467   45.829  166.848   36.209 37.62006 58.40700 
1 1 1   -5   19   13 o  322.050   13.134  134.866   10.957  112.300   25.809  139.827   12.102  288.374   35.287  327.805   14.252 -39.43082 38.05649 
1 1 1   -5   19   14 o  386.945   12.408  194.661   12.436  180.500   31.118  197.353   13.567  366.983   33.091  389.482   13.448 -22.49875 35.71925 
1 1 1   -5   19   15 o  367.852   14.747  176.276   14.052   0.0000   0.0000  176.276   14.052  ?   ?   367.852   14.747 0.000000 14.74729 
1 1 1   -5   19   16 o  449.439   16.087  263.585   18.729   0.0000   0.0000  263.585   18.729  ?   ?   449.439   16.087 0.000000 16.08743 
1 1 1   -5   19   17 o  199.585   18.118   52.547   9.2648   52.790   22.581   52.497   10.159  191.943   46.015  199.106   19.967 -7.163406 50.16048 
1 1 1   -5   19   18 o  158.351   33.508   34.931   13.315   60.530   27.711   27.246   15.183  202.788   52.384  139.255   39.988 63.53268 65.90253 
1 1 1   -5   19   19 o  339.475   15.105  150.615   13.282   96.130   30.212  163.669   14.788  258.293   46.884  353.654   16.143 -95.36032 49.58488 
1 1 1   -5   19   20 o  414.702   12.788  224.392   13.736  148.000   31.059  242.967   15.316  326.089   37.451  431.287   13.709 -105.1982 39.88107 
1 1 1   -5   19   21 o  433.744   16.215  247.029   18.218  233.000   30.927  254.484   22.544  414.203   29.009  438.757   19.836 -24.55368 35.14201 
1 1 1   -5   19   22 o  343.729   13.642  154.759   12.147  131.200   29.098  159.731   13.367  303.594   37.821  348.862   14.792 -45.26828 40.61127 
1 1 1   -5   19   23 o  129.819   28.095   23.819   9.1734   33.590   25.595   22.379   9.8262  149.067   52.878  125.060   30.586 24.00645 61.08725 
1 1 1   -5   19   24 o  143.301   25.005   28.609   8.9441   56.840   26.914   25.105   9.4831  185.690   53.216  132.787   28.428 52.90320 60.33307 
1 1 1   -5   19   25 o  121.876   27.475   21.252   8.4665   7.4440   24.525   23.121   9.0211  109.799   47.361  126.972   28.166 -17.17283 55.10292 
1 1 1   -5   19   26 o   51.749   22.448  -0.3493   5.5727  -0.1933   9.2907  -0.4370   6.9646   66.343   28.882   57.477   25.014 8.866257 38.20828 
1 1 1   -5   19   27 o   99.637   25.151   14.250   6.4921   3.6306   8.7070   27.545   9.7423   71.512   29.354  137.909   28.223 -66.39693 40.72063 
1 1 1   -5   19   28 f  203.305   16.320   55.586   8.5218   44.420   12.524   65.213   11.629  175.065   28.607  217.853   20.862 -42.78790 35.40611 
1 1 1   -5   19   29 o   62.468   26.672   1.2137   7.6331  -5.5610   11.113   7.2650   10.503   63.454   29.230   82.340   32.794 -18.88589 43.92986 
1 1 1   -5   19   30 o  226.743   26.656   74.549   15.357   77.940   23.914   72.170   20.033  212.772   44.806  212.386   37.800 0.3854523 58.62099 
1 1 1   -5   19   31 o  196.094   16.208   52.398   8.1589   51.846   12.197   52.845   10.976  188.369   25.666  192.741   22.403 -4.372498 34.06783 
1 1 1   -5   19   32 o  131.368   22.289   25.005   7.3135   27.148   11.588   23.587   9.4287  128.273   34.236  122.491   29.963 5.781975 45.49609 
1 1 1   -5   19   33 o   83.077   28.389   10.424   7.3394 -14.2700   15.864   17.150   8.2787   65.307   31.478  103.708   29.444 -38.40028 43.10286 
1 1 1   -5   19   34 o   68.104   27.372   5.1681   7.3868   42.780   20.991  -0.1481   7.8916  139.181   47.992   58.597   26.018 80.58403 54.59115 
1 1 1   -5   19   35 o   79.851   28.177   9.7866   7.2587   2.1751   11.076   15.516   9.6099   69.820   30.921   95.682   32.485 -25.86202 44.84908 
1 1 1   -5   19   36 o  131.298   24.015   26.423   7.8666   33.156   11.538   20.576   10.753  138.528   32.684  106.479   34.298 32.04874 47.37708 
1 1 1   -5   19   37 o   80.611   29.717   10.639   8.1802   18.900   11.957   3.3706   11.215   98.799   36.002   69.803   31.005 28.99561 47.51275 
1 1 1   -5   19   38 o   65.687   27.677   4.8755   8.0371   1.5307   11.092   8.5726   11.662   65.786   29.884   76.807   32.885 -11.02043 44.43544 
1 1 1   -5   19   39 o  146.922   31.233   39.182   11.520   56.080   16.661   23.700   15.947  160.876   40.118   97.612   39.857 63.26371 56.55100 
1 1 1   -5   19   40 o   43.228   21.572 -18.1487   9.8234   15.840   22.506 -26.1484   10.918   83.279   39.398   41.979   21.188 41.30012 44.73464 
1 1 1   -5   19   41 o  114.629   30.403   25.359   9.1752   20.685   12.710   30.445   13.259   91.657   36.210  110.615   38.143 -18.95763 52.59334 
1 1 1   -5   19   42 o   74.473   29.877   10.986   8.7836   31.492   12.378  -9.8137   12.466  113.692   36.817   53.534   26.266 60.15762 45.22555 
1 1 1   -5   19   43 o   57.954   26.032   3.2839   8.1432  -3.9189   13.170   7.7419   10.361   57.610   27.985   66.859   29.744 -9.249683 40.83968 
1 1 1   -5   19   44 o   49.042   23.641  -4.0950   8.9522  -7.5165   12.576  -0.5806   12.746   52.745   25.978   57.921   27.992 -5.175636 38.18862 
1 1 1   -5   20    1 o  451.839   11.760  265.086   13.764  274.624   20.510  257.271   18.565  459.229   17.242  444.635   16.119 14.59399 23.60307 
1 1 1   -5   20    2 o  377.945   12.888  185.569   12.618  182.208   18.064  188.771   17.632  373.881   18.652  380.654   17.882 -6.772552 25.83938 
1 1 1   -5   20    3 o  622.656   11.340  503.337   18.290  517.978   26.146  489.306   25.595  630.899   15.999  613.168   16.115 17.73077 22.70803 
1 1 1   -5   20    4 o  445.839   12.393  258.191   14.312  254.955   20.535  261.247   19.957  442.334   17.922  447.866   17.203 -5.531952 24.84219 
1 1 1   -5   20    5 o  483.229   16.827  304.095   21.062   0.0000   0.0000  304.095   21.062  ?   ?   483.229   16.827 0.000000 16.82676 
1 1 1   -5   20    6 o  694.220   13.561  626.477   24.386  623.710   30.477  631.400   40.656  691.962   17.003  694.692   22.593 -2.729553 28.27670 
1 1 1   -5   20    7 o  721.792   13.790  677.391   25.783  647.673   31.359  739.400   45.297  705.026   17.171  751.407   23.273 -46.38049 28.92176 
1 1 1   -5   20    8 o  399.030   18.467  207.719   19.087   0.0000   0.0000  207.719   19.087  ?   ?   399.030   18.467 0.000000 18.46676 
1 1 1   -5   20    9 o  482.947   17.470  304.129   21.854   0.0000   0.0000  304.129   21.854  ?   ?   482.947   17.470 0.000000 17.46972 
1 1 1   -5   20   10 o  458.639   12.727  273.464   15.120  271.144   21.462  275.749   21.303  455.798   18.178  459.708   17.890 -3.910126 25.50500 
1 1 1   -5   20   11 o  347.344   14.460  157.061   13.010  165.158   18.302  148.791   18.497  354.811   19.995  336.411   21.337 18.40027 29.24161 
1 1 1   -5   20   12 f  429.122   13.009  239.551   14.460  256.600   21.943  226.465   19.225  442.998   19.123  416.432   17.823 26.56567 26.14054 
1 1 1   -5   20   13 o  343.527   14.150  153.695   12.591   0.0000   0.0000  153.695   12.591  ?   ?   343.527   14.150 0.000000 14.15012 
1 1 1   -5   20   14 o  674.177   16.019  593.187   27.974   0.0000   0.0000  593.187   27.974  ?   ?   674.177   16.019 0.000000 16.01858 
1 1 1   -5   20   15 o  505.969   12.009  333.116   15.739  312.500   36.314  337.885   17.465  483.795   29.113  509.322   13.238 -25.52713 31.98176 
1 1 1   -5   20   16 o  285.085   14.485  106.313   10.661  102.500   24.611  107.194   11.829  273.253   35.618  285.949   16.035 -12.69611 39.06085 
1 1 1   -5   20   17 o  332.451   21.148  146.222   18.117  144.200   30.725  147.300   22.431  323.096   37.404  331.788   26.315 -8.692657 45.73392 
1 1 1   -5   20   18 o  193.638   22.013   50.193   10.845   1.6110   26.655   59.830   11.872  113.258   49.112  211.624   21.978 -98.36579 53.80576 
1 1 1   -5   20   19 o  286.205   15.191  107.605   11.222  105.500   25.719  108.100   12.472  274.134   37.179  286.392   16.886 -12.25748 40.83374 
1 1 1   -5   20   20 o  183.821   19.721   45.215   9.2436   7.5890   27.970   49.829   9.7939  119.681   51.078  193.018   19.873 -73.33747 54.80753 
1 1 1   -5   20   21 o  177.250   22.240   42.604   9.9861   61.510   29.389   40.136   10.618  195.101   55.507  171.094   24.671 24.00775 60.74237 
1 1 1   -5   20   22 o  167.477   22.250   38.256   9.4134   21.400   28.842   40.266   9.9587  133.206   53.893  171.609   22.980 -38.40305 58.58776 
1 1 1   -5   20   23 o  274.509   14.832   99.695   10.507   70.530   31.303  103.398   11.154  202.439   57.178  279.316   15.477 -76.87643 59.23552 
1 1 1   -5   20   24 o   89.358   30.824   10.690   8.6596   11.280   28.165   10.629   9.1004  117.862   50.797   89.759   31.563 28.10307 59.80397 
1 1 1   -5   20   25 o   54.924   25.319  -5.3065   8.3582 -18.7400   27.178  -3.9032   8.7839   90.817   43.061   58.556   26.597 32.26068 50.61280 
1 1 1   -5   20   26 o   83.234   29.833   9.0080   8.1672 -23.4300   26.341   12.458   8.5906   85.574   41.071   93.556   30.693 -7.982254 51.27216 
1 1 1   -5   20   27 o   74.335   29.358   5.5579   8.3524 -25.5200   26.984   8.8510   8.7838   84.555   40.831   83.320   30.779 1.234581 51.13190 
1 1 1   -5   20   28 o   64.512   24.732   4.4884   5.7894   4.5820   7.9730   4.3840   8.4202   70.658   28.424   71.364   29.030 -0.7058640 40.62807 
1 1 1   -5   20   29 o  110.652   40.170   19.723   14.865   17.840   22.378   21.210   19.887  111.009   46.444  114.470   45.272 -3.460739 64.85828 
1 1 1   -5   20   30 o  107.890   25.248   17.361   6.9310   24.754   11.171   12.734   8.8379  123.597   33.882   91.675   31.153 31.92181 46.02737 
1 1 1   -5   20   31 o   65.498   25.015   5.1153   5.9084   6.0550   8.2356   4.1187   8.4812   72.900   29.038   69.178   28.737 3.721527 40.85366 
1 1 1   -5   20   32 o  167.265   17.581   39.064   7.5032   36.539   11.614   40.873   9.8302  151.283   30.686  166.716   23.408 -15.43393 38.59511 
1 1 1   -5   20   33 o   94.705   35.493   15.048   11.764   15.048   11.764   0.0000   0.0000   94.705   35.493  ?   ?  0.000000 35.49279 
1 1 1   -5   20   34 o   92.675   31.363   14.373   8.9569   1.4000   19.284   17.942   10.114   81.577   37.901  101.455   33.304 -19.87834 50.45487 
1 1 1   -5   20   35 o   67.260   29.125   3.4337   9.3479 -15.9500   21.209   8.1071   10.414   70.922   34.684   77.477   31.986 -6.555405 47.18156 
1 1 1   -5   20   36 o   93.953   30.047   15.367   8.2641   5.1839   11.919   24.794   11.468   73.324   32.294  113.789   35.264 -40.46503 47.81716 
1 1 1   -5   20   37 o   58.982   25.579   2.4106   7.2320   1.5612   9.4359   3.6200   11.259   62.515   28.056   68.756   30.766 -6.240993 41.63711 
1 1 1   -5   20   38 o  187.803   22.538   55.272   10.745   66.710   18.081   49.026   13.360  175.315   40.612  161.954   32.969 13.36131 52.30905 
1 1 1   -5   20   39 o  104.865   46.255   43.740   24.541   43.740   24.541   0.0000   0.0000  104.865   46.255  ?   ?  0.000000 46.25488 
1 1 1   -5   20   40 o   96.353   30.305   18.493   8.4345   1.8568   11.391   38.686   12.550   62.826   29.169  133.751   35.596 -70.92581 46.02120 
1 1 1   -5   20   41 o   92.510   32.112   18.844   9.4054   20.206   13.654   17.613   12.975   86.508   36.242   83.210   35.119 3.298210 50.46641 
1 1 1   -5   20   42 o   55.470   25.662   0.9952   8.7006   2.4087   12.447  -0.3552   12.166   62.009   29.325   59.133   28.254 2.876167 40.72184 
1 1 1   -5   20   43 o   53.849   24.258   2.5216   7.1306   6.0212   10.306  -0.6921   9.8761   62.465   28.541   54.160   25.761 8.305088 38.44759 
1 1 1   -5   21    1 o  336.540   13.597  147.285   11.853  161.898   17.322  134.418   16.254  351.644   19.088  320.205   19.692 31.43881 27.42522 
1 1 1   -5   21    2 o  453.699   12.406  267.508   14.580  253.874   21.011  280.168   20.247  441.090   18.390  463.644   16.859 -22.55423 24.94796 
1 1 1   -5   21    3 o  400.423   13.123  208.466   13.611  216.391   19.927  201.533   18.637  407.123   18.895  392.993   18.308 14.12994 26.30984 
1 1 1   -5   21    4 o  292.125   15.599  111.450   11.761  135.854   17.607   91.792   15.803  321.536   21.260  263.581   23.389 57.95496 31.60759 
1 1 1   -5   21    5 o  415.437   13.238  224.442   14.245  208.954   20.578  238.693   19.740  399.828   19.870  427.717   17.817 -27.88934 26.68783 
1 1 1   -5   21    6 o  361.995   14.565  170.581   13.657  158.294   19.750  181.842   18.907  346.894   22.094  372.472   19.666 -25.57794 29.57893 
1 1 1   -5   21    7 o  1082.19   15.550  1525.88   43.591  1566.64   54.705  1455.00   72.147  1094.79   19.291  1050.81   26.506 43.98303 32.78278 
1 1 1   -5   21    8 o  742.332   13.946  717.276   26.815  700.609   32.653  751.800   46.995  732.705   17.205  756.305   23.988 -23.60083 29.52013 
1 1 1   -5   21    9 o  504.568   12.446  331.106   16.267  353.532   23.709  311.158   22.361  520.298   17.592  488.100   17.686 32.19763 24.94498 
1 1 1   -5   21   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   21   11 o  101.417   37.383   11.352   12.945   32.380   22.367   0.7613   15.874  153.338   49.475   90.057   38.458 63.28109 62.66385 
1 1 1   -5   21   12 o  639.556   17.524  534.925   29.031  552.400   42.253  519.300   39.954  646.578   25.228  627.216   24.592 19.36151 35.23113 
1 1 1   -5   21   13 o  227.056   22.936   68.618   13.305  110.400   23.695   49.381   16.078  285.169   32.667  188.972   34.101 96.19708 47.22338 
1 1 1   -5   21   14 o  559.329   11.767  407.253   17.049  384.100   38.742  412.814   18.986  536.227   27.989  562.813   13.023 -26.58630 30.87078 
1 1 1   -5   21   15 o  323.866   32.371  142.800   26.792  142.800   26.792   0.0000   0.0000  323.866   32.371  ?   ?  0.000000 32.37071 
1 1 1   -5   21   16 o  385.946   21.594  197.497   21.502  216.000   32.764  183.500   28.497  398.276   32.029  367.943   30.165 30.33286 43.99753 
1 1 1   -5   21   17 o  234.965   16.364   72.792   9.8973   56.390   22.643   76.665   11.004  195.430   45.568  240.790   17.768 -45.36018 48.90967 
1 1 1   -5   21   18 o  357.577   13.566  167.315   12.566  135.300   31.931  173.181   13.669  306.953   41.200  363.522   14.516 -56.56882 43.68264 
1 1 1   -5   21   19 o  331.961   14.277  144.585   12.277  143.900   32.449  144.700   13.263  315.287   40.681  331.732   15.434 -16.44495 43.51062 
1 1 1   -5   21   20 o  263.018   16.156   91.616   10.954   27.540   29.234  102.081   11.815  141.746   55.239  277.553   16.508 -135.8062 57.65297 
1 1 1   -5   21   21 o  378.634   12.683  188.128   12.439  157.900   30.355  194.229   13.637  330.683   36.021  384.308   13.699 -53.62491 38.53808 
1 1 1   -5   21   22 o  287.358   14.337  108.964   10.672   70.550   24.615  117.856   11.843  210.788   46.345  298.063   15.391 -87.27512 48.83370 
1 1 1   -5   21   23 o  246.656   15.015   80.870   9.5476   61.500   24.733   84.262   10.350  191.982   49.437  251.371   15.978 -59.38892 51.95514 
1 1 1   -5   21   24 o  142.630   23.159   28.484   8.2626   25.250   21.834   29.025   8.9265  127.801   48.259  143.172   24.978 -15.37137 54.33971 
1 1 1   -5   21   25 o  108.956   29.524   17.585   8.5401 -14.6400   19.032   25.710   9.5562   76.305   36.138  132.359   28.700 -56.05432 46.14777 
1 1 1   -5   21   26 o  252.952   16.591   86.247   10.811   42.630   28.921   93.331   11.655  148.520   55.653  262.782   17.218 -114.2617 58.25579 
1 1 1   -5   21   27 f   89.221   32.954   10.900   10.069   0.0000   0.0000   10.900   10.069  ?   ?    89.221   32.954 0.000000 32.95436 
1 1 1   -5   21   28 o  114.638   35.673   21.307   11.722   43.190   25.659   15.535   13.178  144.876   52.747  100.998   37.621 43.87785 64.78914 
1 1 1   -5   21   29 o   61.754   27.268  -0.1376   8.5506  -9.9990   23.655   1.3446   9.1707   83.980   39.922   66.109   28.737 17.87099 49.18906 
1 1 1   -5   21   30 o   72.235   25.968   7.1912   6.1924   5.6721   8.1247   9.2969   9.5655   71.560   28.726   82.204   31.719 -10.64404 42.79335 
1 1 1   -5   21   31 o   72.797   27.743   7.0402   7.2576   3.5321   10.989   9.7542   9.6656   72.661   31.521   82.477   31.868 -9.815765 44.82349 
1 1 1   -5   21   32 o   86.029   27.261   11.664   6.8145   11.748   9.2714   11.565   10.050   86.142   31.654   86.024   32.679 0.1172104 45.49641 
1 1 1   -5   21   33 o   48.764   22.830  -4.6544   7.2168 -13.8452   10.407   3.8598   10.017   50.154   24.478   69.840   30.196 -19.68619 38.87058 
1 1 1   -5   21   34 o   75.704   28.740   8.6314   7.7703   7.1859   10.973   10.085   11.004   76.146   32.226   81.460   33.168 -5.314323 46.24509 
1 1 1   -5   21   35 o   70.967   30.195   5.8388   9.7200  -4.7880   20.892   8.7746   10.981   75.121   36.187   77.694   32.522 -2.573776 48.65407 
1 1 1   -5   21   36 o   62.540   28.324   1.0799   9.8736 -16.5700   20.536   6.3869   11.261   66.394   32.794   72.545   31.684 -6.151009 45.59896 
1 1 1   -5   21   37 o   46.405   22.512  -8.8811   8.4443 -10.3334   12.931  -7.8014   11.150   56.455   27.494   54.619   26.343 1.835957 38.07696 
1 1 1   -5   21   38 o   51.615   25.035  -8.3848   10.433  -8.3848   10.433   0.0000   0.0000   51.615   25.035  ?   ?  0.000000 25.03503 
1 1 1   -5   21   39 o   81.124   31.978   13.999   9.8915   30.030   22.358   10.098   11.030   90.076   41.482   73.379   31.706 16.69680 52.21103 
1 1 1   -5   21   40 o  110.361   31.692   25.519   9.5369   31.705   14.062   20.250   12.978  105.680   38.961   86.995   35.787 18.68488 52.90310 
1 1 1   -5   21   41 o   41.571   20.537 -10.9270   8.0685 -15.3435   10.753  -5.2364   12.206   45.464   22.669   54.983   26.763 -9.518791 35.07336 
1 1 1   -5   21   42 o   77.604   29.903   14.015   8.4925   13.728   13.766   14.191   10.791   71.757   32.861   74.495   31.758 -2.737411 45.69929 
1 1 1   -5   21   43 o   69.947   28.604   11.596   8.2297   14.234   13.129   9.8883   10.562   69.552   31.940   65.328   29.468 4.223633 43.45705 
1 1 1   -5   22    1 o  586.791   11.678  447.584   17.750  466.555   26.204  431.500   24.128  597.899   16.919  575.182   16.195 22.71667 23.42072 
1 1 1   -5   22    2 o  346.571   14.110  156.400   12.667  162.659   19.237  151.609   16.831  351.635   21.220  339.922   19.194 11.71231 28.61262 
1 1 1   -5   22    3 o  364.233   13.992  172.744   13.201  184.297   20.026  163.866   17.554  374.474   20.726  353.402   19.249 21.07224 28.28573 
1 1 1   -5   22    4 o  390.031   20.351  199.822   20.490  199.822   20.490   0.0000   0.0000  390.031   20.351  ?   ?  0.000000 20.35146 
1 1 1   -5   22    5 o  191.208   22.737   48.694   11.041   59.426   16.439   39.876   14.901  209.193   31.300  169.624   35.073 39.56877 47.00845 
1 1 1   -5   22    6 o  216.524   21.065   62.068   11.665  106.065   17.795   28.915   15.447  282.672   24.547  143.829   40.005 138.8427 46.93597 
1 1 1   -5   22    7 o  451.240   14.827  265.476   17.330  260.700   30.354  267.785   21.108  443.185   26.564  452.485   18.009 -9.300842 32.09325 
1 1 1   -5   22    8 o  168.425   50.134   40.510   23.497   40.510   23.497   0.0000   0.0000  168.425   50.134  ?   ?  0.000000 50.13358 
1 1 1   -5   22    9 o  424.804   27.752  240.600   30.370  240.600   30.370   0.0000   0.0000  424.804   27.752  ?   ?  0.000000 27.75243 
1 1 1   -5   22   10 o  333.292   18.342  145.980   15.774  136.858   19.271  164.500   27.458  321.242   23.318  349.511   30.638 -28.26865 38.50258 
1 1 1   -5   22   11 o  369.402   14.686  178.146   14.053  165.665   20.624  188.962   19.200  353.627   22.634  378.786   19.635 -25.15955 29.96375 
1 1 1   -5   22   12 o  547.918   17.139  393.355   24.325   0.0000   0.0000  393.355   24.325  ?   ?   547.918   17.139 0.000000 17.13916 
1 1 1   -5   22   13 o  351.363   16.006  161.650   14.568  149.163   21.940  171.496   19.482  333.827   25.567  359.927   20.987 -26.10031 33.07796 
1 1 1   -5   22   14 o  318.346   22.871  135.098   18.734  131.200   29.282  137.800   24.375  306.451   37.682  318.378   29.907 -11.92676 48.10802 
1 1 1   -5   22   15 o  220.471   19.591   64.670   11.072   46.460   28.039   68.034   12.051  174.450   55.300  225.790   20.840 -51.33911 59.09669 
1 1 1   -5   22   16 o  163.619   23.511   36.424   9.6781   15.100   24.167   40.497   10.562  123.037   49.489  172.406   24.327 -49.36858 55.14473 
1 1 1   -5   22   17 o  354.185   13.648  164.425   12.521  149.500   32.462  167.034   13.572  322.059   39.757  356.648   14.691 -34.58948 42.38396 
1 1 1   -5   22   18 o  181.311   21.064   44.471   9.7082   55.310   27.671   42.950   10.367  184.228   54.298  177.390   23.111 6.837845 59.01194 
1 1 1   -5   22   19 o  181.376   19.576   44.389   9.0514   19.900   22.579   49.079   9.8801  124.392   48.526  190.521   20.334 -66.12888 52.61446 
1 1 1   -5   22   20 o   67.760   28.515   1.8188   8.5139   11.780   25.889   0.6109   9.0154  116.341   49.383   67.104   28.828 49.23763 57.18122 
1 1 1   -5   22   21 o   82.728   28.068   9.1607   7.1742   34.360   27.328   7.2954   7.4350  144.510   54.109   77.611   28.373 66.89893 61.09626 
1 1 1   -5   22   22 o  159.760   23.651   35.674   9.4915   16.600   27.210   38.316   10.128  120.282   50.817  165.304   24.385 -45.02135 56.36456 
1 1 1   -5   22   23 o  123.568   28.948   22.473   9.1031   5.4020   25.930   24.872   9.7219  106.088   47.131  129.833   29.569 -23.74532 55.63906 
1 1 1   -5   22   24 o  205.130   17.976   57.153   9.4554   16.870   26.920   62.822   10.099  117.185   50.064  214.940   18.313 -97.75500 53.30804 
1 1 1   -5   22   25 o  222.284   18.799   67.622   10.723   0.0000   0.0000   67.622   10.723  ?   ?   222.284   18.799 0.000000 18.79942 
1 1 1   -5   22   26 o  104.240   31.661   16.762   9.3017  -9.9370   27.933   20.092   9.8648   92.520   43.806  113.529   32.109 -21.00983 54.31398 
1 1 1   -5   22   27 o  109.456   36.117   19.569   11.889   45.430   25.417   12.325   13.451  146.704   52.624   94.236   37.244 52.46799 64.47034 
1 1 1   -5   22   28 o  127.281   28.531   25.041   9.1738   29.790   20.205   23.807   10.296  123.273   46.453  121.360   32.216 1.912277 56.53074 
1 1 1   -5   22   29 o  114.131   28.772   20.605   8.5036 -23.7600   22.018   28.383   9.2188   71.351   34.987  135.881   27.142 -64.52969 44.28062 
1 1 1   -5   22   30 o   85.649   29.306   11.522   7.8216   11.970   23.789   11.467   8.2820   96.607   43.838   85.537   30.107 11.06921 53.18116 
1 1 1   -5   22   31 o   71.383   29.915   5.2932   9.3064 -23.2500   23.555   10.573   10.131   71.881   35.431   83.354   32.508 -11.47305 48.08478 
1 1 1   -5   22   32 o   56.626   26.027  -2.5044   8.7446  -3.0660   17.633  -2.3212   10.070   74.503   35.132   60.548   27.867 13.95492 44.84236 
1 1 1   -5   22   33 o  105.765   28.748   18.853   8.0824   15.882   11.350   21.909   11.512   92.940   34.857  107.032   35.550 -14.09218 49.78802 
1 1 1   -5   22   34 o  115.837   28.235   22.692   8.3950   23.385   12.029   22.035   11.722  107.641   36.346  104.990   35.877 2.651634 51.06986 
1 1 1   -5   22   35 o   69.032   28.149   6.7635   7.9410   9.1749   10.909   4.0452   11.582   76.381   32.217   69.186   31.064 7.195175 44.75399 
1 1 1   -5   22   36 o   51.983   25.114  -8.0699   10.239 -47.6700   23.244   1.4647   11.406   57.099   29.042   64.246   29.602 -7.146599 41.46918 
1 1 1   -5   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   22   38 o   66.088   29.008   6.3463   9.5439 -15.8600   22.941   10.994   10.495   63.751   31.982   74.338   31.492 -10.58641 44.88406 
1 1 1   -5   22   39 o   95.276   29.863   18.749   8.1984   12.130   11.167   26.488   12.074   74.488   32.045  100.888   36.262 -26.39970 48.39208 
1 1 1   -5   22   40 o  100.508   32.356   23.249   9.5706   20.529   13.911   25.694   13.188   82.593   35.647   92.609   36.790 -10.01614 51.22725 
1 1 1   -5   22   41 o   50.176   24.052  -2.7594   8.9714   2.8831   12.884  -8.0710   12.500   60.510   28.957   51.991   25.662 8.519348 38.69162 
1 1 1   -5   22   42 o   46.642   22.159  -1.7567   7.2657  -0.9747   10.037  -2.6175   10.531   52.379   25.195   51.628   25.067 0.7510910 35.54044 
1 1 1   -5   23    1 o  113.467   34.426   17.511   11.002   40.020   20.638   8.5736   13.004  167.181   46.145   95.635   36.961 71.54573 59.12263 
1 1 1   -5   23    2 o  421.029   14.458  231.192   15.768  251.800   29.116  222.639   18.757  435.332   25.938  412.488   17.555 22.84338 31.32038 
1 1 1   -5   23    3 o  293.613   22.737  114.252   17.158  134.100   26.650  100.200   22.424  314.394   33.228  271.598   32.520 42.79617 46.49366 
1 1 1   -5   23    4 o  334.397   21.256  147.650   18.316  150.100   27.925  145.800   24.266  332.866   32.814  329.720   28.698 3.145905 43.59248 
1 1 1   -5   23    5 o  221.851   29.433   66.728   16.496   72.870   25.388   62.240   21.702  225.929   44.962  209.806   41.403 16.12311 61.12157 
1 1 1   -5   23    6 o  348.584   18.064  159.661   16.255  152.973   20.598  170.700   26.463  339.478   23.571  356.580   28.899 -17.10193 37.29217 
1 1 1   -5   23    7 o  453.929   13.664  268.755   16.066  233.280   22.892  303.193   22.554  420.902   20.996  480.859   18.108 -59.95746 27.72610 
1 1 1   -5   23    8 o  287.697   17.757  108.933   13.168  125.674   19.957   96.024   17.525  306.661   25.351  267.720   25.582 38.94086 36.01556 
1 1 1   -5   23    9 o  167.221   32.312   38.921   13.490   29.400   16.432   58.600   23.624  143.637   41.703  200.388   46.423 -56.75108 62.40386 
1 1 1   -5   23   10 o  150.310   36.674   32.146   14.153   47.570   18.205   8.5830   22.501  182.332   39.673  113.673   46.980 68.65859 61.49061 
1 1 1   -5   23   11 o  270.296   21.138   97.168   14.682  105.776   19.423   85.690   22.427  279.783   27.142  247.658   36.015 32.12494 45.09732 
1 1 1   -5   23   12 o  415.429   18.849  227.559   20.283  241.500   29.848  215.600   27.646  423.034   27.386  399.935   26.842 23.09869 38.34719 
1 1 1   -5   23   13 o  282.844   22.695  107.187   16.487  114.969   21.328   95.630   25.991  290.148   28.756  258.210   40.165 31.93799 49.39757 
1 1 1   -5   23   14 o  127.079   33.829   23.157   11.333   25.534   15.921   20.716   16.135  132.793   41.615  122.579   42.088 10.21403 59.18776 
1 1 1   -5   23   15 o  143.638   24.608   28.494   8.8265   29.800   26.695   28.333   9.3525  144.323   53.588  142.645   26.280 1.678375 59.68513 
1 1 1   -5   23   16 o  148.094   25.862   30.559   9.5599   54.030   26.258   26.972   10.264  182.557   52.634  137.530   29.683 45.02702 60.42713 
1 1 1   -5   23   17 o  206.730   17.970   57.225   9.5271   34.520   24.185   61.395   10.365  147.878   51.485  213.814   18.910 -65.93578 54.84755 
1 1 1   -5   23   18 o  111.348   30.949   18.035   9.2481   26.240   27.778   17.013   9.8076  135.281   53.504  108.256   32.428 27.02493 62.56373 
1 1 1   -5   23   19 o   92.630   30.779   11.938   8.6289   42.770   28.242   8.7629   9.0622  156.544   55.543   84.584   31.259 71.96014 63.73542 
1 1 1   -5   23   20 o  116.819   29.852   20.098   9.0667  -7.7850   25.090   24.286   9.7238   94.371   43.630  128.585   29.780 -34.21405 52.82438 
1 1 1   -5   23   21 o  122.462   29.337   22.142   9.1839   0.0000   0.0000   22.142   9.1839  ?   ?   122.462   29.337 0.000000 29.33724 
1 1 1   -5   23   22 o  175.900   20.725   42.760   9.2618   43.990   21.319   42.474   10.283  158.487   47.885  173.834   23.434 -15.34738 53.31170 
1 1 1   -5   23   23 f  184.567   19.895   47.007   9.3612   54.970   21.703   45.186   10.376  177.347   46.627  179.204   22.875 -1.856186 51.93591 
1 1 1   -5   23   24 o  218.565   18.970   65.699   10.633   0.0000   0.0000   65.699   10.633  ?   ?   218.565   18.970 0.000000 18.96983 
1 1 1   -5   23   25 o   55.577   24.232   0.0241   6.5617   0.0196   18.943   0.0247   6.9948   85.968   39.052   57.188   24.974 28.77963 46.35492 
1 1 1   -5   23   26 f   82.187   33.857   7.4090   11.636   13.350   18.398   3.4485   15.022   99.275   41.855   81.964   36.169 17.31056 55.31764 
1 1 1   -5   23   27 o  119.921   28.478   22.478   8.7146   68.850   23.085   14.771   9.4109  187.124   47.533   95.964   32.149 91.16000 57.38448 
1 1 1   -5   23   28 o   75.426   28.949   7.6933   7.9373 -30.7800   24.336   12.273   8.3964   71.142   35.240   88.160   30.356 -17.01777 46.51184 
1 1 1   -5   23   29 o   74.137   29.285   7.2334   8.3120   57.850   24.228   0.4811   8.8491  154.225   51.585   62.012   27.542 92.21274 58.47699 
1 1 1   -5   23   30 o   57.191   25.836  -1.0049   8.1542 -27.1600   20.344   4.0014   8.9004   64.469   31.985   67.718   28.855 -3.249016 43.07706 
1 1 1   -5   23   31 o  138.567   23.845   29.494   8.2500   17.150   16.909   33.351   9.4513   94.925   40.079  145.382   26.055 -50.45786 47.80311 
1 1 1   -5   23   32 o  155.523   22.815   36.960   8.9180   58.960   24.033   33.447   9.6036  143.982   51.222  143.909   26.747 0.7254028E-01 57.78525 
1 1 1   -5   23   33 o   56.504   26.428  -3.3821   9.6303 -17.6100   21.285   0.2800   10.799   67.331   33.281   63.650   29.132 3.681236 44.23017 
1 1 1   -5   23   34 o  109.599   33.222   23.556   10.249   47.700   20.761   15.776   11.785  125.916   47.158   88.003   34.836 37.91312 58.62994 
1 1 1   -5   23   35 o   72.679   28.178   9.0668   7.5766   7.6918   9.9606   10.955   11.672   70.952   30.386   77.230   32.979 -6.278175 44.84324 
1 1 1   -5   23   36 o   61.142   28.376   1.1339   10.762   0.6054   15.334   1.6470   15.109   66.323   31.699   66.950   31.849 -0.6268921 44.93534 
1 1 1   -5   23   37 o   51.940   25.993 -19.3959   14.719 -33.0800   22.724  -9.5040   19.320   57.509   29.197   62.535   31.050 -5.025791 42.62064 
1 1 1   -5   23   38 o   57.063   26.268   1.7904   8.9529 -22.3500   18.158   9.5439   10.291   54.716   27.581   69.725   30.374 -15.00867 41.02790 
1 1 1   -5   23   39 o   52.686   25.367  -3.3156   10.235 -10.1300   23.240  -1.6759   11.400   62.118   31.298   55.981   26.908 6.137203 41.27430 
1 1 1   -5   23   40 o   70.043   28.348   10.861   7.9828   7.1449   10.250   16.589   12.727   63.018   28.665   74.859   33.150 -11.84134 43.82460 
1 1 1   -5   23   41 o   65.591   28.660   10.170   9.2240   9.0369   13.688   11.112   12.484   63.431   30.214   65.569   30.475 -2.138115 42.91385 
1 1 1   -5   24    1 o  419.241   13.264  229.327   14.404  233.202   21.479  226.160   19.418  420.904   19.701  415.033   18.062 5.870758 26.72732 
1 1 1   -5   24    2 o  396.718   13.461  205.409   13.833  202.816   20.664  207.514   18.620  391.752   20.435  397.524   18.083 -5.771515 27.28648 
1 1 1   -5   24    3 o  235.244   18.907   73.225   11.424   69.666   17.384   75.930   15.155  225.639   30.527  237.745   24.983 -12.10664 39.44680 
1 1 1   -5   24    4 o  288.974   16.256  109.745   12.119  114.413   17.814  105.724   16.534  292.732   23.696  281.622   22.863 11.11029 32.92764 
1 1 1   -5   24    5 o  308.450   15.578  124.882   12.406  106.362   17.480  143.680   17.611  281.915   24.171  329.263   20.755 -47.34741 31.85942 
1 1 1   -5   24    6 o  423.678   13.561  234.487   14.883  227.692   21.216  241.071   20.884  415.523   19.711  427.887   18.842 -12.36401 27.26834 
1 1 1   -5   24    7 o  272.173   18.179   97.903   12.743   81.901   18.292  112.989   17.761  244.815   29.436  290.475   23.815 -45.65958 37.86324 
1 1 1   -5   24    8 o  105.747   34.871   14.981   11.084   17.492   16.426   12.882   15.018  117.399   42.285  106.525   40.067 10.87453 58.25230 
1 1 1   -5   24    9 o  117.914   35.925   19.538   11.962   29.250   21.559   15.218   14.379  143.121   48.657  109.999   39.568 33.12267 62.71434 
1 1 1   -5   24   10 o  372.724   21.982  185.529   21.129  170.800   32.172  196.700   28.018  348.802   36.132  379.864   28.687 -31.06213 46.13492 
1 1 1   -5   24   11 o   78.430   34.671  -2.3810   13.863   9.6744   17.610 -22.0300   22.482  104.520   42.173   82.386   39.093 22.13385 57.50441 
1 1 1   -5   24   12 o  237.314   25.043   76.744   15.162   69.290   18.962   89.960   25.248  220.752   34.272  247.864   40.740 -27.11246 53.23818 
1 1 1   -5   24   13 o  258.328   18.811   89.103   12.501   84.987   19.518   91.965   16.278  245.906   31.356  259.826   24.474 -13.92036 39.77631 
1 1 1   -5   24   14 o   91.670   35.440   9.0838   11.959   33.175   18.526  -8.1263   15.659  146.561   44.719   75.841   34.847 70.72003 56.69371 
1 1 1   -5   24   15 o  122.414   36.773   22.246   12.599  -6.7890   21.519   37.390   15.541   90.470   41.300  157.213   38.475 -66.74297 56.44476 
1 1 1   -5   24   16 o  145.775   25.606   29.944   9.3160   30.650   28.167   29.857   9.8715  140.406   54.359  144.795   27.321 -4.388748 60.83915 
1 1 1   -5   24   17 o  156.979   24.209   34.497   9.5275   64.650   27.374   30.341   10.163  192.673   53.131  145.248   28.027 47.42480 60.07015 
1 1 1   -5   24   18 o  134.825   26.831   26.167   9.0407   35.870   23.399   24.465   9.8019  144.723   50.627  128.827   29.942 15.89502 58.81826 
1 1 1   -5   24   19 o   90.528   30.442   11.559   8.4380   3.3350   26.207   12.511   8.9126  104.162   46.750   93.606   31.287 10.55561 56.25346 
1 1 1   -5   24   20 o  218.553   18.070   64.882   10.138   69.520   28.561   64.214   10.844  192.092   54.743  216.575   19.541 -24.48273 58.12600 
1 1 1   -5   24   21 o   61.779   26.022   1.7903   7.1009 -30.2600   26.125   4.3468   7.3787   79.561   38.819   68.532   27.423 11.02919 47.52853 
1 1 1   -5   24   22 o   71.963   29.169   4.7662   8.4658 -22.8900   25.865   8.0847   8.9594   82.135   39.737   80.685   30.806 1.450455 50.28001 
1 1 1   -5   24   23 o  127.567   32.527   25.665   10.781   0.0000   0.0000   25.665   10.781  ?   ?   127.567   32.527 0.000000 32.52723 
1 1 1   -5   24   24 o  127.825   26.870   24.622   8.6142   25.030   23.882   24.561   9.2360  117.210   48.418  126.344   28.855 -9.133430 56.36383 
1 1 1   -5   24   25 o  141.344   41.714   36.826   16.322   30.810   24.714   41.480   21.737  121.459   49.608  140.367   48.813 -18.90829 69.59594 
1 1 1   -5   24   26 o  108.922   30.857   19.394   9.1026   8.8590   24.040   21.157   9.8349   95.453   43.605  112.887   32.107 -17.43481 54.15018 
1 1 1   -5   24   27 o  158.401   20.788   36.402   8.3237   56.480   25.339   33.974   8.8127  149.941   52.671  150.997   23.280 -1.055878 57.58609 
1 1 1   -5   24   28 o   62.140   27.014   1.9383   8.1051   14.160   22.102   0.0394   8.7120   94.948   42.746   60.538   27.078 34.41027 50.60104 
1 1 1   -5   24   29 o   99.286   30.187   16.855   8.4527   21.460   18.439   15.630   9.5109  101.045   42.207   94.355   32.316 6.690453 53.15796 
1 1 1   -5   24   30 o   43.926   21.331  -9.7679   7.6337  -3.0420   20.117 -10.8994   8.2509   76.101   36.354   45.065   21.950 31.03662 42.46647 
1 1 1   -5   24   31 o   63.379   27.195   3.5806   8.0062  -8.8730   22.353   5.4134   8.5751   73.604   35.911   68.021   28.621 5.582214 45.92160 
1 1 1   -5   24   32 o   82.319   30.484   12.093   8.6269   3.3380   21.022   13.866   9.4602   78.111   37.272   86.295   31.929 -8.184227 49.07800 
1 1 1   -5   24   33 o   70.811   28.196   8.0075   7.7624   1.4230   19.867   9.1938   8.4326   73.878   35.513   73.914   29.401 -0.3560638E-01 46.10426 
1 1 1   -5   24   34 o   40.858   20.326 -15.1363   8.4402   5.5030   22.192 -18.6266   9.1260   75.376   36.549   40.731   20.396 34.64504 41.85511 
1 1 1   -5   24   35 o   76.047   31.464   11.759   10.108   0.0000   0.0000   11.759   10.108  ?   ?    76.047   31.464 0.000000 31.46384 
1 1 1   -5   24   36 o   48.744   24.573 -24.6169   14.437 -24.9500   21.880 -24.3600   19.214   58.419   29.546   55.760   28.140 2.659004 40.80251 
1 1 1   -5   24   37 o   53.666   25.768  -3.0002   10.394  -9.3870   22.324  -1.2326   11.744   62.581   31.416   57.346   27.497 5.235004 41.74984 
1 1 1   -5   24   38 o   40.979   20.091  -8.0821   7.2524 -13.7573   10.558  -3.0128   9.9789   45.237   22.542   52.072   25.065 -6.834328 33.71046 
1 1 1   -5   24   39 o  104.913   34.139   28.969   10.636   26.770   22.846   29.578   12.018   73.937   36.125   98.748   36.077 -24.81052 51.05430 
1 1 1   -5   24   40 o   48.447   23.841  -5.9059   10.520 -24.7600   22.283  -0.4979   11.934   53.138   27.151   54.221   26.407 -1.082741 37.87468 
1 1 1   -5   25    1 o  388.743   13.680  197.749   13.775  187.313   19.705  207.724   19.265  375.518   20.334  396.647   18.750 -21.12836 27.65912 
1 1 1   -5   25    2 o  332.441   14.226  144.753   12.250  156.605   18.206  134.948   16.559  343.126   20.579  318.601   20.169 24.52466 28.81441 
1 1 1   -5   25    3 o  442.506   13.077  256.068   14.989  249.518   21.949  261.793   20.518  434.255   19.512  445.611   17.776 -11.35623 26.39549 
1 1 1   -5   25    4 o  283.488   17.178  106.232   12.554   95.319   18.554  115.448   17.050  264.319   27.503  293.453   22.605 -29.13467 35.60004 
1 1 1   -5   25    5 o  198.874   23.521   53.570   11.882   50.808   17.990   55.707   15.825  187.229   38.383  199.487   31.685 -12.25775 49.77131 
1 1 1   -5   25    6 o   91.389   35.479   8.3707   12.024   15.230   21.117   5.0799   14.627  118.445   46.712   91.259   37.811 27.18655 60.09708 
1 1 1   -5   25    7 o  306.033   23.320  126.217   18.347  135.200   29.915  120.800   23.229  307.025   38.459  295.139   30.840 11.88638 49.29706 
1 1 1   -5   25    8 o  438.959   16.903  254.433   19.219  250.012   25.183  260.600   29.741  431.346   22.618  437.604   26.361 -6.258453 34.73435 
1 1 1   -5   25    9 o  270.667   18.407   97.628   12.829  117.609   18.952   80.728   17.429  293.753   25.149  241.328   28.427 52.42525 37.95468 
1 1 1   -5   25   10 o  261.432   19.223   91.495   12.926   95.200   19.099   88.362   17.559  261.682   28.644  252.835   27.241 8.846634 39.52935 
1 1 1   -5   25   11 o  203.500   22.904   56.572   11.863   44.145   18.086   65.955   15.716  169.930   41.457  216.898   28.677 -46.96777 50.40891 
1 1 1   -5   25   12 o  238.243   26.124   78.723   15.857   79.011   20.370   78.280   25.263  233.005   34.819  223.944   45.110 9.061081 56.98425 
1 1 1   -5   25   13 o  220.694   24.541   67.390   13.792   73.011   16.581   54.770   24.844  227.171   28.827  180.564   50.918 46.60637 58.51164 
1 1 1   -5   25   14 o  180.092   25.435   45.498   11.535   62.334   19.384   36.266   14.353  202.408   38.375  154.461   36.460 47.94754 52.93391 
1 1 1   -5   25   15 o  160.020   29.143   37.118   11.635   36.104   15.865   38.298   17.114  151.239   39.914  154.621   41.751 -3.381851 57.76078 
1 1 1   -5   25   16 o  229.071   16.174   70.399   9.5351   58.200   28.049   71.993   10.139  176.776   55.209  231.222   17.049 -54.44537 57.78157 
1 1 1   -5   25   17 o  108.455   31.060   17.648   9.1714   2.1700   28.456   19.443   9.6884  105.321   47.852  113.453   31.728 -8.132286 57.41447 
1 1 1   -5   25   18 o  142.782   24.959   29.255   8.8950   62.980   27.197   25.216   9.4127  182.191   53.869  130.401   28.649 51.78973 61.01356 
1 1 1   -5   25   19 o   77.426   30.056   6.8641   8.6288   51.520   22.329  -0.9752   9.3555  168.396   48.533   63.988   28.375 104.4082 56.21902 
1 1 1   -5   25   20 o   68.179   28.273   3.3967   8.1891   23.250   22.726   0.4340   8.7789  118.587   47.887   64.214   28.012 54.37248 55.47842 
1 1 1   -5   25   21 f  114.694   28.410   20.036   8.3968   0.0000   0.0000   20.036   8.3968  ?   ?   114.694   28.410 0.000000 28.41038 
1 1 1   -5   25   22 o   46.473   22.494 -11.3408   8.3116 -31.2000   26.444  -9.1639   8.7553   76.796   37.793   50.340   24.030 26.45607 44.78563 
1 1 1   -5   25   23 o  102.431   34.816   17.307   11.038 -22.1800   25.640   26.291   12.229   78.726   38.422  124.224   35.951 -45.49808 52.61846 
1 1 1   -5   25   24 o   81.095   36.128   3.9375   15.344 -14.2000   24.004   16.470   19.953   79.319   38.352  100.943   43.112 -21.62328 57.70261 
1 1 1   -5   25   25 o  122.787   26.093   23.371   8.0432   39.020   23.863   21.365   8.5431  126.718   49.758  115.215   28.725 11.50317 57.45411 
1 1 1   -5   25   26 o  103.220   29.587   17.721   8.3186   47.360   21.828   12.685   8.9977  140.111   48.904   87.783   31.329 52.32833 58.07858 
1 1 1   -5   25   27 o   80.514   29.156   10.338   7.8246   33.940   18.475   5.1792   8.6374  120.857   44.639   69.048   28.869 51.80936 53.16061 
1 1 1   -5   25   28 o  130.110   27.234   27.539   8.8840   37.730   21.065   25.334   9.7980  119.715   46.824  120.499   31.159 -0.7844849 56.24436 
1 1 1   -5   25   29 o   85.313   29.226   12.511   7.7792   13.610   22.192   12.357   8.3062   89.026   41.115   84.530   30.108 4.495552 50.96015 
1 1 1   -5   25   30 o   79.553   29.851   10.862   8.3261   10.640   22.741   10.896   8.9474   84.812   39.964   79.622   30.690 5.189949 50.38867 
1 1 1   -5   25   31 o   55.966   25.585  -0.5192   8.2956   4.6990   20.030  -1.5996   9.1139   77.053   36.660   56.529   26.191 20.52474 45.05501 
1 1 1   -5   25   32 o   62.629   26.861   4.5212   7.8037  -6.9680   19.904   6.6079   8.4828   67.754   33.232   67.647   28.465 0.1070023 43.75635 
1 1 1   -5   25   33 o   51.291   24.241  -3.3003   8.4806 -26.8000   22.490   0.5951   9.1565   60.480   30.512   57.682   26.557 2.797905 40.45112 
1 1 1   -5   25   34 o   53.620   25.913  -5.5539   10.922   0.0000   0.0000  -5.5539   10.922  ?   ?    53.620   25.913 0.000000 25.91279 
1 1 1   -5   25   35 o   48.222   23.820 -11.3972   10.845 -12.8300   21.803 -10.9261   12.501   61.547   30.918   51.713   25.550 9.834095 40.10896 
1 1 1   -5   25   36 o   56.774   26.350   2.0612   9.2825  -8.8990   23.472   4.0930   10.106   62.384   31.435   60.283   27.807 2.100613 41.96879 
1 1 1   -5   25   37 o   38.760   19.399 -14.3976   8.2048 -59.4800   16.394   0.6674   9.4771   40.600   20.887   54.447   25.699 -13.84738 33.11701 
1 1 1   -5   25   38 o   49.340   23.555  -1.5064   8.4187 -23.1500   23.583   1.6547   9.0125   55.380   28.267   53.845   25.306 1.535439 37.93914 
1 1 1   -5   25   39 o   39.966   19.928 -11.2168   8.3081   4.7360   16.032 -17.0744   9.7144   59.257   29.213   39.851   20.098 19.40588 35.45879 
1 1 1   -5   25   40 o   63.854   31.016   16.884   16.170   9.6920   24.569   22.380   21.478   59.228   30.098   63.965   31.917 -4.736404 43.87056 
1 1 1   -5   26    1 o  209.906   26.411   60.821   14.042   79.560   26.263   53.320   16.617  227.681   46.112  192.210   34.650 35.47127 57.67905 
1 1 1   -5   26    2 o  300.825   22.888  122.460   17.701  127.100   28.080  119.400   22.802  296.393   37.407  292.223   30.577 4.169586 48.31401 
1 1 1   -5   26    3 o  342.212   21.673  157.702   19.112  165.500   27.786  150.700   26.331  343.426   31.589  327.762   31.398 15.66382 44.53850 
1 1 1   -5   26    4 o  380.132   20.916  194.113   20.515  191.700   29.409  196.400   28.633  370.008   30.969  375.689   29.665 -5.681458 42.88433 
1 1 1   -5   26    5 o  242.190   24.250   80.255   15.009   74.863   19.335   88.430   23.808  228.384   33.695  244.839   38.836 -16.45560 51.41637 
1 1 1   -5   26    6 o  356.548   14.702  167.644   13.578  198.804   21.500  146.970   17.512  383.701   21.721  330.463   20.560 53.23807 29.90846 
1 1 1   -5   26    7 o  231.899   20.732   72.779   12.322   65.630   18.269   78.746   16.690  212.485   34.365  237.465   27.651 -24.98071 44.10795 
1 1 1   -5   26    8 o   87.329   34.447   7.7075   11.486   5.0984   17.070   9.8664   15.527   94.306   40.067   98.711   39.681 -4.405006 56.39053 
1 1 1   -5   26    9 o  221.361   20.721   66.599   11.743   60.245   18.020   71.289   15.482  201.506   35.838  225.502   27.045 -23.99638 44.89694 
1 1 1   -5   26   10 o   92.667   35.313   10.324   11.758   12.145   18.678   9.1279   15.133  106.059   43.200   96.029   38.972 10.02982 58.18179 
1 1 1   -5   26   11 f  142.547   32.352   30.223   11.672   22.458   16.695   37.649   16.326  121.400   42.744  154.547   40.347 -33.14684 58.77916 
1 1 1   -5   26   12 o  173.050   28.233   43.109   12.219   37.773   19.137   46.781   15.876  150.750   45.330  175.100   36.200 -24.34930 58.01027 
1 1 1   -5   26   13 o  205.686   27.423   60.545   14.247   56.390   17.359   69.120   24.935  191.937   36.244  201.078   48.447 -9.141388 60.50394 
1 1 1   -5   26   14 o  102.697   38.048   14.975   13.443   11.974   16.306   21.340   23.749  100.292   40.541  120.355   48.830 -20.06257 63.46615 
1 1 1   -5   26   15 o   97.028   35.764   13.205   11.848   37.493   18.090  -5.0375   15.678  148.365   43.950   76.332   34.998 72.03322 56.18240 
1 1 1   -5   26   16 o  113.373   38.138   20.391   13.244   43.860   23.046   8.8171   16.184  153.238   50.271   94.082   39.439 59.15540 63.89545 
1 1 1   -5   26   17 o   74.441   29.758   5.6524   8.6793   7.2530   26.927   5.4668   9.1687  104.618   47.133   75.136   30.390 29.48223 56.08141 
1 1 1   -5   26   18 o  169.329   20.330   40.096   8.7388   2.1050   27.985   44.200   9.1988  100.280   46.262  177.874   20.330 -77.59386 50.53234 
1 1 1   -5   26   19 o  105.084   32.225   17.439   9.6055   0.0000   0.0000   17.439   9.6055  ?   ?   105.084   32.225 0.000000 32.22490 
1 1 1   -5   26   20 o   78.979   31.548   7.3963   9.7468   0.0000   0.0000   7.3963   9.7468  ?   ?    78.979   31.548 0.000000 31.54791 
1 1 1   -5   26   21 o  113.237   28.023   19.960   8.1752   31.600   20.471   17.751   8.9171  124.703   46.804  105.125   30.778 19.57774 56.01699 
1 1 1   -5   26   22 o  149.187   31.458   36.043   11.774   28.000   22.121   39.222   13.907  115.641   47.049  150.896   36.071 -35.25515 59.28468 
1 1 1   -5   26   23 o   98.670   32.045   16.395   9.3727   47.960   21.541   9.0237   10.410  145.195   48.640   80.897   32.501 64.29739 58.49867 
1 1 1   -5   26   24 o   72.962   28.204   7.3696   7.5735   2.6800   19.800   8.1732   8.1967   82.739   38.430   75.729   29.323 7.010551 48.33883 
1 1 1   -5   26   25 o   94.822   30.521   15.427   8.5162   19.020   18.046   14.397   9.6594   97.708   41.338   90.970   32.461 6.738022 52.56011 
1 1 1   -5   26   26 o   98.374   29.053   16.541   7.9152   14.790   20.578   16.844   8.5748   91.235   41.145   98.053   30.510 -6.817139 51.22258 
1 1 1   -5   26   27 o   53.965   24.732  -1.7093   7.8183 -12.2500   21.619  -0.1234   8.3859   71.129   34.835   57.962   26.191 13.16659 43.58219 
1 1 1   -5   26   28 o   77.273   29.357   9.9582   8.1107   8.4020   22.473   10.191   8.6968   83.190   39.361   77.963   30.199 5.227325 49.61099 
1 1 1   -5   26   29 o   78.476   29.758   10.803   8.3241   38.760   22.890   6.5417   8.9360  108.433   46.240   69.301   29.191 39.13216 54.68365 
1 1 1   -5   26   30 o   76.816   29.637   10.602   8.3500   44.110   19.976   3.5083   9.1915  118.335   45.788   63.353   28.107 54.98210 53.72687 
1 1 1   -5   26   31 o   49.440   23.184  -2.8145   7.4926 -22.1700   20.176   0.2817   8.0697   60.007   30.088   55.268   25.254 4.738590 39.28178 
1 1 1   -5   26   32 o   58.575   26.495   2.4164   8.6071  -1.4810   23.147   3.0417   9.2719   69.399   34.375   60.542   27.431 8.857403 43.97871 
1 1 1   -5   26   33 o   52.149   25.334  -6.2746   10.797   0.0000   0.0000  -6.2746   10.797  ?   ?    52.149   25.334 0.000000 25.33403 
1 1 1   -5   26   34 o   60.410   27.926   3.8209   10.275 -20.3300   21.207   11.230   11.746   57.494   29.080   70.654   31.534 -13.15965 42.89516 
1 1 1   -5   26   35 o   52.930   25.289  -1.3538   9.7419 -15.9900   23.414   1.7103   10.713   59.047   29.941   57.362   27.151 1.685173 40.41874 
1 1 1   -5   26   36 o   47.755   22.755  -2.0552   7.7779 -15.1700   18.223   0.8662   8.6007   54.196   27.357   52.715   24.758 1.481060 36.89660 
1 1 1   -5   26   37 o   57.495   26.527   5.0460   9.2058   44.870   23.889  -1.8990   9.9762   78.840   38.154   50.875   24.630 27.96405 45.41338 
1 1 1   -5   26   38 o   34.953   17.679 -17.1754   7.8413 -18.2200   21.397 -17.0133   8.4276   52.604   26.856   36.562   18.474 16.04158 32.59604 
1 1 1   -5   26   39 o   53.209   24.839   4.5941   8.4414 -10.9700   23.990   6.7935   9.0181   53.293   27.303   56.191   26.041 -2.897583 37.73046 
1 1 1   -5   27    1 o  286.512   17.284  109.892   12.768   97.166   18.408  121.690   17.724  262.975   27.427  297.792   23.159 -34.81622 35.89661 
1 1 1   -5   27    2 o  158.567   27.285   35.794   10.803   31.821   16.483   38.786   14.303  141.970   41.926  160.673   35.328 -18.70349 54.82558 
1 1 1   -5   27    3 o  150.093   30.630   32.896   11.506   31.897   17.809   33.611   15.074  141.129   43.978  147.208   38.933 -6.078842 58.73558 
1 1 1   -5   27    4 o  210.085   22.472   60.769   12.039   60.938   18.289   60.640   15.992  201.324   36.412  204.539   31.170 -3.215515 47.93120 
1 1 1   -5   27    5 o  247.240   18.910   82.651   12.019   68.223   18.434   93.319   15.851  214.568   34.323  259.676   23.831 -45.10818 41.78514 
1 1 1   -5   27    6 o  135.822   31.651   27.432   10.929   25.465   17.017   28.813   14.259  127.112   43.228  135.745   38.678 -8.633133 58.00538 
1 1 1   -5   27    7 o  224.110   21.187   68.923   12.154   74.244   17.282   63.717   17.095  226.435   30.218  207.612   32.885 18.82277 44.66060 
1 1 1   -5   27    8 o  237.880   21.236   77.755   12.948   71.433   19.768   82.506   17.135  216.497   36.551  240.135   28.078 -23.63768 46.09047 
1 1 1   -5   27    9 o  145.101   31.545   31.543   11.518   29.359   18.144   33.016   14.907  133.025   44.640  143.770   39.027 -10.74536 59.29473 
1 1 1   -5   27   10 o  189.861   26.281   51.571   12.578   55.816   18.281   47.753   17.334  187.807   38.859  172.672   39.598 15.13422 55.48010 
1 1 1   -5   27   11 o  240.010   19.796   79.036   12.197  102.294   19.209   63.323   15.789  265.839   28.332  207.140   30.325 58.69858 41.50055 
1 1 1   -5   27   12 o   91.566   35.251   10.861   11.793  -8.4764   17.894   25.709   15.679   77.698   36.236  124.618   41.494 -46.92030 55.08877 
1 1 1   -5   27   13 o  231.690   20.469   74.328   12.158   69.449   18.140   78.308   16.382  212.504   34.109  231.764   27.845 -19.25955 44.03131 
1 1 1   -5   27   14 o  240.837   21.183   80.888   13.080   76.213   19.462   84.738   17.664  220.829   35.207  239.331   29.092 -18.50258 45.67132 
1 1 1   -5   27   15 o   93.762   37.505   11.476   13.796   18.289   17.771   1.1410   21.888  108.406   42.820   91.873   41.829 16.53326 59.86002 
1 1 1   -5   27   16 o  153.056   33.592   37.242   12.952   43.618   15.705   23.680   22.904  161.682   38.120  116.637   47.711 45.04570 61.06958 
1 1 1   -5   27   17 o  165.009   22.214   39.014   9.2534   0.0000   0.0000   39.014   9.2534  ?   ?   165.009   22.214 0.000000 22.21377 
1 1 1   -5   27   18 o  107.538   33.940   19.088   10.571   0.0000   0.0000   19.088   10.571  ?   ?   107.538   33.940 0.000000 33.93955 
1 1 1   -5   27   19 o   70.124   28.516   5.1514   8.1213   62.860   25.488  -1.3695   8.5679  166.945   52.703   59.129   26.618 107.8156 59.04374 
1 1 1   -5   27   20 o   52.884   23.870  -1.6117   6.9433   24.430   24.774  -3.8316   7.2332  109.672   47.452   50.482   23.370 59.19068 52.89486 
1 1 1   -5   27   21 o  108.354   39.603   22.592   14.485   57.640   25.021   4.9270   17.764  151.164   52.382   83.522   37.893 67.64195 64.65126 
1 1 1   -5   27   22 o   54.907   25.512  -3.8490   8.7403   20.970   24.063  -7.6211   9.3810  101.228   45.160   52.525   25.017 48.70307 51.62611 
1 1 1   -5   27   23 o   67.646   27.973   5.1938   7.9834 -17.1100   23.455   8.1164   8.4904   72.720   35.749   74.960   29.601 -2.239944 46.41399 
1 1 1   -5   27   24 o  136.292   23.488   28.741   7.9926   27.170   22.293   28.972   8.5618  103.359   44.867  135.017   25.413 -31.65800 51.56474 
1 1 1   -5   27   25 o  122.872   25.922   24.558   7.9908   13.980   21.828   26.195   8.5868   88.523   40.845  125.748   27.157 -37.22557 49.04895 
1 1 1   -5   27   26 o   78.300   29.330   10.421   8.0315   0.0932   21.865   12.031   8.6352   76.940   37.053   82.361   30.499 -5.421509 47.99036 
1 1 1   -5   27   27 o   55.128   25.199  -0.6868   8.0439   26.670   22.697  -4.6164   8.6022   95.687   43.176   51.546   24.378 44.14107 49.58287 
1 1 1   -5   27   28 o   81.798   30.364   12.601   8.5696   3.3650   22.360   14.191   9.2780   76.034   36.825   85.140   31.597 -9.105492 48.52221 
1 1 1   -5   27   29 o   64.313   27.369   5.5356   7.9891   3.3180   17.474   6.1217   8.9830   71.111   33.945   66.549   28.684 4.562141 44.44183 
1 1 1   -5   27   30 o  111.164   27.855   22.866   8.0044   25.770   20.558   22.347   8.6902   87.192   40.014  106.317   30.161 -19.12493 50.10759 
1 1 1   -5   27   31 o   64.479   27.625   6.6815   8.2390   7.2830   23.814   6.5997   8.7813   71.702   35.396   64.696   28.122 7.005768 45.20765 
1 1 1   -5   27   32 o   64.587   29.345   6.6580   10.702   0.0000   0.0000   6.6580   10.702  ?   ?    64.587   29.345 0.000000 29.34474 
1 1 1   -5   27   33 o   56.612   25.860   3.1976   8.4533  -6.3330   17.521   6.0892   9.6508   58.584   29.167   61.850   28.008 -3.265862 40.43737 
1 1 1   -5   27   34 o   60.339   27.482   5.9401   9.4595   7.5970   23.754   5.6278   10.312   65.254   32.710   60.401   27.941 4.853302 43.01899 
1 1 1   -5   27   35 o   42.304   20.825  -7.8311   8.0496  -4.2170   22.225  -8.3768   8.6359   59.190   29.918   43.269   21.352 15.92166 36.75541 
1 1 1   -5   27   36 f   53.915   25.041   3.4816   8.4074   17.180   21.181   0.9196   9.1600   64.922   32.281   51.716   24.657 13.20652 40.62056 
1 1 1   -5   27   37 o   44.056   21.614  -4.9058   8.4379 -26.7200   23.816  -1.7745   9.0232   51.132   26.260   47.727   23.180 3.404663 35.02690 
1 1 1   -5   27   38 o   50.856   24.016   3.4430   8.2953 -11.6100   16.909   8.2145   9.5196   48.844   24.836   56.854   26.486 -8.009499 36.30931 
1 1 1   -5   28    1 o   73.337   31.810   1.3070   11.188   0.6597   17.258   1.7762   14.694   86.206   38.367   82.350   36.073 3.855865 52.66198 
1 1 1   -5   28    2 o   94.217   33.668   12.491   10.394   21.369   17.508   7.6598   12.917  116.953   43.404   87.738   35.853 29.21467 56.29688 
1 1 1   -5   28    3 o  103.815   34.569   16.218   10.883   9.2930   17.431   20.642   13.931   97.331   40.872  114.706   39.113 -17.37508 56.57140 
1 1 1   -5   28    4 o  146.615   31.495   32.467   11.604   45.410   18.166   23.545   15.082  165.225   42.273  120.765   40.699 44.46001 58.68029 
1 1 1   -5   28    5 o  161.374   27.103   37.864   10.928   39.766   16.641   36.421   14.489  155.189   40.841  151.162   37.246 4.027145 55.27464 
1 1 1   -5   28    6 o  135.420   32.016   28.074   11.053   41.142   17.164   18.814   14.449  156.949   41.561  110.168   39.660 46.78112 57.44775 
1 1 1   -5   28    7 f   95.306   35.206   12.835   11.493   23.377   18.066   5.6685   14.895  119.227   44.121   87.319   37.271 31.90744 57.75640 
1 1 1   -5   28    8 o  171.525   26.852   42.890   11.539   20.725   17.656   59.415   15.245  114.021   43.315  199.362   30.491 -85.34080 52.97034 
1 1 1   -5   28    9 o  139.726   31.571   30.026   11.157   37.303   17.443   24.986   14.515  146.451   43.095  122.474   39.882 23.97724 58.71793 
1 1 1   -5   28   10 o  110.577   35.149   19.477   11.322   21.856   18.321   18.008   14.400  115.007   44.019  107.011   39.431 7.996788 59.09737 
1 1 1   -5   28   11 o   70.914   30.507   2.2917   10.121   17.327   16.106  -7.5197   13.011  105.880   41.073   65.830   30.767 40.04974 51.31900 
1 1 1   -5   28   12 o  221.692   21.692   69.361   12.297   90.102   20.097   56.948   15.547  240.761   33.100  191.455   32.513 49.30646 46.39735 
1 1 1   -5   28   13 o  195.777   22.397   54.693   11.153   46.638   17.207   60.530   14.647  163.877   40.716  200.080   29.116 -36.20273 50.05529 
1 1 1   -5   28   14 o  183.419   26.425   50.023   12.192   51.232   19.113   49.193   15.832  167.308   43.646  172.105   36.637 -4.797363 56.98412 
1 1 1   -5   28   15 o  202.331   27.274   61.659   13.930   81.390   23.533   51.018   17.283  210.322   44.580  170.559   39.840 39.76332 59.78781 
1 1 1   -5   28   16 o  129.347   49.583   37.190   23.267   37.190   23.267   0.0000   0.0000  129.347   49.583  ?   ?  0.000000 49.58305 
1 1 1   -5   28   17 o   93.022   38.178   13.234   14.726   8.7350   20.564   17.970   21.097   91.953   41.331  102.368   44.042 -10.41467 60.39781 
1 1 1   -5   28   18 o   96.902   30.196   15.478   8.3957   11.960   23.247   16.006   9.0033   95.340   43.291   97.834   31.370 -2.493332 53.46248 
1 1 1   -5   28   19 o   56.397   27.111 -10.3925   11.581 -51.2100   23.398   2.8521   13.328   60.719   30.691   74.333   33.353 -13.61354 45.32500 
1 1 1   -5   28   20 o   82.355   31.427   10.867   9.3208   52.380   24.176   3.6188   10.102  138.531   51.084   68.952   30.065 69.57841 59.27462 
1 1 1   -5   28   21 o   64.664   27.470   3.8830   8.0219   22.080   24.047   1.6044   8.5093   98.619   44.476   61.589   27.198 37.02999 52.13281 
1 1 1   -5   28   22 o   67.911   28.119   5.6674   8.0824 -26.8400   23.069   10.216   8.6293   66.390   33.120   78.914   30.209 -12.52435 44.82729 
1 1 1   -5   28   23 o   64.967   26.813   5.1510   7.3149   3.2150   21.909   5.3938   7.7602   79.554   37.985   66.245   27.501 13.30872 46.89570 
1 1 1   -5   28   24 o   93.903   29.779   16.031   8.1304   37.820   22.381   12.718   8.7265  109.528   46.170   83.655   30.715 25.87254 55.45358 
1 1 1   -5   28   25 o   73.380   29.177   8.8702   8.3013 -17.2900   22.284   13.086   8.9452   66.662   33.141   83.529   31.019 -16.86707 45.39285 
1 1 1   -5   28   26 o   72.533   29.101   8.8703   8.3334 -22.8000   22.254   14.036   8.9874   63.361   31.746   84.798   31.165 -21.43723 44.48650 
1 1 1   -5   28   27 o   45.069   21.815  -7.5385   7.8185   13.590   20.741 -11.0382   8.4412   79.857   37.793   43.850   21.534 36.00727 43.49740 
1 1 1   -5   28   28 o   77.012   29.101   11.585   7.9429 -18.8000   17.521   19.445   8.9112   56.969   28.488   96.739   31.229 -39.76937 42.27082 
1 1 1   -5   28   29 o   50.407   23.341  -0.7060   7.2227 -18.6100   19.827   2.0334   7.7556   58.509   29.404   55.754   25.191 2.754623 38.71918 
1 1 1   -5   28   30 o   47.116   22.706  -4.9983   8.2462   0.0000   0.0000  -4.9983   8.2462  ?   ?    47.116   22.706 0.000000 22.70628 
1 1 1   -5   28   31 o   42.123   20.753  -9.3027   8.0484 -13.9900   23.977  -8.7075   8.5442   60.177   30.491   43.901   21.581 16.27554 37.35565 
1 1 1   -5   28   32 f   52.155   24.994  -1.2431   9.6756 -17.2000   18.253   4.9931   11.411   53.621   27.104   60.286   28.377 -6.665005 39.24173 
1 1 1   -5   28   33 o   75.499   31.724   16.838   10.511   28.020   23.634   14.081   11.736   71.348   35.229   69.466   31.223 1.881516 47.07413 
1 1 1   -5   28   34 o   55.273   25.674   4.1140   8.8397  -0.7823   23.325   4.9352   9.5523   58.987   29.908   56.769   26.475 2.217846 39.94250 
1 1 1   -5   28   35 o   43.886   21.366  -3.9209   7.7927   18.460   19.166  -8.3536   8.5296   64.172   31.693   41.820   20.742 22.35229 37.87712 
1 1 1   -5   28   36 o   55.401   25.901   6.3764   9.2326  -4.3060   23.709   8.2859   10.024   54.302   27.767   57.622   26.955 -3.320107 38.69811 
1 1 1   -5   28   37 o   75.975   29.649   18.839   8.4311   41.560   22.268   15.037   9.1093   65.344   32.588   65.738   28.608 -0.3939514 43.36405 
1 1 1   -5   29    1 o   64.711   29.434  -3.1777   10.806   1.0320   16.498  -6.3401   14.299   83.153   37.223   70.431   32.694 12.72236 49.54249 
1 1 1   -5   29    2 o   69.814   30.686   0.6252   10.713 -18.2227   15.649   17.251   14.697   63.751   30.859  105.223   39.626 -41.47211 50.22425 
1 1 1   -5   29    3 o  125.874   33.625   25.259   11.171   40.942   18.057   15.533   14.219  151.641   43.626  101.563   38.802 50.07798 58.38530 
1 1 1   -5   29    4 o  154.027   28.346   35.585   10.893   17.404   16.034   51.166   14.843  105.779   40.997  181.447   32.788 -75.66827 52.49560 
1 1 1   -5   29    5 o  162.210   27.551   39.173   11.162   33.190   17.498   43.279   14.494  135.491   43.763  164.268   35.127 -28.77721 56.11666 
1 1 1   -5   29    6 o  185.762   24.214   49.842   11.374   45.996   16.518   53.309   15.685  165.109   39.207  183.345   34.287 -18.23633 52.08432 
1 1 1   -5   29    7 o  189.467   30.102   54.741   14.279   0.0000   0.0000   54.741   14.279  ?   ?   189.467   30.102 0.000000 30.10238 
1 1 1   -5   29    8 o  197.777   22.918   56.097   11.523   48.491   16.890   62.721   15.762  168.537   39.395  201.491   31.209 -32.95386 50.25898 
1 1 1   -5   29    9 o  135.224   32.430   29.292   11.213   38.087   19.040   24.622   13.874  140.607   45.673  118.923   39.005 21.68351 60.06139 
1 1 1   -5   29   10 o  139.050   30.966   30.571   10.867   16.454   16.340   41.768   14.552  101.763   40.777  158.002   36.316 -56.23920 54.60411 
1 1 1   -5   29   11 o   68.403   30.165   1.0806   10.432   11.297   18.401  -3.7578   12.663   95.086   41.019   67.586   31.159 27.50002 51.51155 
1 1 1   -5   29   12 o   95.208   35.405   14.585   11.661   4.0630   21.136   19.190   13.982   89.385   40.853  104.939   38.819 -15.55396 56.35543 
1 1 1   -5   29   13 o   73.394   32.981   1.0062   13.084   2.8110   21.497  -0.0558   16.491   87.802   40.520   78.334   35.907 9.468185 54.14078 
1 1 1   -5   29   14 o   92.883   36.059   14.067   12.420   5.7761   15.780   27.570   20.137   83.031   36.833  114.438   45.461 -31.40712 58.51009 
1 1 1   -5   29   15 o   67.258   30.099   0.8207   10.779   10.736   16.659  -6.3209   14.138   89.188   38.750   66.605   31.423 22.58340 49.88995 
1 1 1   -5   29   16 o   78.909   31.738   8.7866   9.9394   4.6914   14.269   12.646   13.853   77.936   34.772   88.950   36.821 -11.01363 50.64409 
1 1 1   -5   29   17 o   69.383   31.453   1.1479   12.208 -20.0300   18.070   18.930   16.558   63.471   31.237   97.911   40.368 -34.43981 51.04241 
1 1 1   -5   29   18 o  138.343   39.109   38.375   14.638   41.920   20.331   34.560   21.092  128.158   46.908  115.131   46.259 13.02665 65.88116 
1 1 1   -5   29   19 o   75.584   30.313   8.6497   9.0380   9.7030   22.664   8.4505   9.8555   86.277   40.414   75.867   31.196 10.41024 51.05346 
1 1 1   -5   29   20 o   95.111   31.354   16.644   8.9610   36.410   24.061   13.461   9.6555  108.402   46.834   85.951   32.166 22.45122 56.81656 
1 1 1   -5   29   21 o  118.563   29.718   24.949   9.1092   26.550   24.106   24.683   9.8388   96.400   43.893  115.067   31.900 -18.66682 54.26028 
1 1 1   -5   29   22 o  108.691   27.966   20.687   7.9190   4.8680   23.306   22.752   8.4200   78.992   38.095  113.445   28.647 -34.45324 47.66408 
1 1 1   -5   29   23 o   64.869   27.302   5.4311   7.8065 -11.8000   21.502   8.0472   8.3781   67.607   33.423   71.052   28.936 -3.444344 44.20888 
1 1 1   -5   29   24 o   67.842   28.460   6.8636   8.4379  -0.3530   22.178   8.0849   9.1241   72.689   35.531   70.788   29.640 1.901039 46.27060 
1 1 1   -5   29   25 o   60.519   26.760   3.4653   8.2633   8.6990   21.414   2.5496   8.9571   75.925   36.590   60.218   27.152 15.70621 45.56403 
1 1 1   -5   29   26 o   41.383   20.365 -10.5164   7.6756   18.830   19.023 -16.2229   8.3887   81.332   37.739   39.475   19.735 41.85735 42.58742 
1 1 1   -5   29   27 o   45.202   21.559  -4.1573   7.0164  -7.4180   15.265  -3.2840   7.9004   58.415   28.741   48.709   23.131 9.706024 36.89264 
1 1 1   -5   29   28 o  124.626   23.733   27.159   7.3817   25.570   20.684   27.391   7.9020   80.052   37.841  122.252   25.766 -42.19959 45.77999 
1 1 1   -5   29   29 o   52.653   24.541   0.6638   8.1886   0.0000   0.0000   0.6638   8.1886  ?   ?    52.653   24.541 0.000000 24.54132 
1 1 1   -5   29   30 o   47.273   23.093  -5.8496   9.3244  -0.7374   22.800  -6.8763   10.218   61.878   31.154   48.177   23.666 13.70039 39.12395 
1 1 1   -5   29   31 o   60.496   29.353   5.5821   14.374   5.8860   20.008   5.2580   20.662   61.968   30.902   61.818   30.916 0.1500931 43.71201 
1 1 1   -5   29   32 o   63.876   27.895   9.9483   8.7268  -2.3100   21.088   12.481   9.5861   57.677   29.152   67.381   29.336 -9.703365 41.35703 
1 1 1   -5   29   33 o   53.248   25.053   3.3990   8.8765 -22.5400   22.996   7.9405   9.6222   51.997   26.645   59.152   27.230 -7.154789 38.09776 
1 1 1   -5   29   34 o   48.286   22.818   1.3595   7.5115  -0.5318   20.316   1.6590   8.0843   54.783   27.791   49.340   23.421 5.442940 36.34376 
1 1 1   -5   29   35 o   39.740   19.705  -6.7942   7.6775   26.090   21.948 -11.3792   8.1953   60.810   30.610   37.799   18.984 23.01157 36.01908 
1 1 1   -5   29   36 o   40.013   19.855  -5.6659   7.8534 -29.9300   23.745  -2.6857   8.3218   46.422   23.941   43.060   21.193 3.362518 31.97345 
1 1 1   -5   30    1 o  143.117   30.558   32.326   10.984   39.866   16.100   25.763   15.023  148.826   40.626  119.109   40.615 29.71759 57.44652 
1 1 1   -5   30    2 o  171.163   26.542   44.009   11.387   53.678   17.034   36.197   15.310  176.923   38.280  142.119   39.934 34.80376 55.31818 
1 1 1   -5   30    3 o  114.392   33.472   21.708   10.549   27.860   16.293   17.267   13.842  121.858   42.267  101.749   38.424 20.10896 57.12222 
1 1 1   -5   30    4 o  222.503   21.317   70.716   12.136   75.735   18.600   66.996   16.014  215.439   34.494  206.659   30.860 8.780075 46.28346 
1 1 1   -5   30    5 o  146.297   28.391   33.143   10.371   23.437   15.823   40.453   13.732  112.793   41.367  155.626   34.922 -42.83293 54.13715 
1 1 1   -5   30    6 o   77.390   32.556   5.9764   11.091   17.386   17.620  -1.5104   14.273  101.869   41.780   73.176   33.493 28.69293 53.54727 
1 1 1   -5   30    7 f   55.461   26.466  -9.4728   10.604 -20.0800   18.838  -4.5534   12.829   67.381   32.896   66.492   30.900 0.8889771 45.13230 
1 1 1   -5   30    8 o  120.758   37.566   26.320   13.000   83.240   26.329   7.9688   14.950  196.922   51.156   85.392   36.905 111.5297 63.07838 
1 1 1   -5   30    9 o  140.352   39.232   36.432   14.817   53.380   23.983   25.970   18.843  150.103   51.317  112.863   44.247 37.24026 67.75874 
1 1 1   -5   30   10 o  118.279   37.003   25.587   12.594   14.912   16.776   39.370   19.062   95.396   40.080  135.005   45.753 -39.60928 60.82545 
1 1 1   -5   30   11 o   76.899   32.980   6.0912   11.764   21.590   16.644  -9.3820   16.630  104.806   41.427   68.826   32.927 35.97971 52.91825 
1 1 1   -5   30   12 o  108.789   34.255   21.256   10.773   37.781   16.862   9.8577   14.004  134.111   42.924   84.678   36.141 49.43232 56.11234 
1 1 1   -5   30   13 o   87.158   31.560   12.766   9.1678   13.036   14.785   12.598   11.685   89.050   37.532   87.072   34.618 1.978050 51.05908 
1 1 1   -5   30   14 o   57.588   26.902  -4.0063   9.9277   1.8578   15.576  -8.0184   12.884   74.997   34.569   60.810   29.061 14.18745 45.16164 
1 1 1   -5   30   15 o   59.094   27.932  -5.3663   11.267  -7.6120   23.825  -4.7193   12.788   76.761   37.369   63.105   29.806 13.65673 47.80028 
1 1 1   -5   30   16 o   52.013   25.923 -23.7003   13.997   8.1500   22.145 -44.8900   18.063   84.218   39.608   51.765   26.254 32.45325 47.51923 
1 1 1   -5   30   17 o  102.711   35.250   21.352   11.317   28.647   13.512   4.2020   20.718  114.698   38.522   79.158   37.551 35.54078 53.79596 
1 1 1   -5   30   18 o  159.087   28.416   43.153   11.280   22.900   20.327   52.166   13.559   94.222   41.801  169.884   31.987 -75.66234 52.63520 
1 1 1   -5   30   19 o  101.490   33.992   21.075   10.520  -3.3860   21.178   29.089   12.122   72.429   35.254  117.171   36.246 -44.74171 50.56268 
1 1 1   -5   30   20 o   64.515   28.651   3.8174   9.5729 -35.1500   22.026   12.892   10.629   59.092   29.858   81.377   32.789 -22.28494 44.34673 
1 1 1   -5   30   21 o   74.297   29.085   9.8049   8.1328   40.420   21.855   4.8838   8.7621  106.243   45.242   64.521   28.068 41.72198 53.24120 
1 1 1   -5   30   22 f   58.072   26.014   2.1081   8.0731   7.2710   20.073   1.1118   8.8178   74.954   35.941   58.026   26.469 16.92718 44.63622 
1 1 1   -5   30   23 o   68.057   28.442   7.7051   8.3794   24.350   20.434   4.3402   9.1874   86.446   39.753   62.780   27.963 23.66665 48.60283 
1 1 1   -5   30   24 o   56.476   25.646   1.7979   8.1612  -3.0450   19.517   2.8241   8.9844   65.669   32.346   59.377   26.943 6.291512 42.09742 
1 1 1   -5   30   25 o   45.124   21.597  -4.4576   7.1735 -12.1500   17.756  -2.9571   7.8420   58.353   29.102   48.706   23.105 9.647575 37.15828 
1 1 1   -5   30   26 o   53.387   23.771   2.5704   6.6326  -0.5917   16.589   3.1721   7.2361   61.870   30.344   55.494   24.760 6.375954 39.16413 
1 1 1   -5   30   27 o   40.579   20.078 -10.2101   7.8190   0.0000   0.0000 -10.2101   7.8190  ?   ?    40.579   20.078 0.000000 20.07829 
1 1 1   -5   30   28 o   92.560   35.008   26.354   11.502   0.0000   0.0000   26.354   11.502  ?   ?    92.560   35.008 0.000000 35.00845 
1 1 1   -5   30   29 o   46.406   23.155 -11.0009   11.298 -10.2100   22.469 -11.2685   13.070   56.809   28.860   48.882   24.468 7.926731 37.83627 
1 1 1   -5   30   30 o   54.690   26.309   2.5474   10.953   7.4940   21.243   0.7559   12.784   60.516   30.416   54.605   26.752 5.911182 40.50679 
1 1 1   -5   30   31 o   68.134   28.307   12.796   8.2301   15.200   17.389   12.102   9.3428   62.711   30.819   65.029   28.618 -2.317379 42.05728 
1 1 1   -5   30   32 o   45.167   22.199  -4.0301   9.0270  -0.0825   22.584  -4.7808   9.8480   55.256   28.154   45.837   22.653 9.418648 36.13624 
1 1 1   -5   30   33 o   47.065   22.908  -0.4301   8.9407  -9.5750   22.828   1.2267   9.7169   51.469   26.386   49.248   23.950 2.220718 35.63418 
1 1 1   -5   30   34 o   63.126   27.557   13.601   8.5096   25.330   17.225   9.8143   9.7874   61.167   30.178   56.028   26.345 5.138958 40.05966 
1 1 1   -5   31    1 o   85.323   36.710   9.3136   14.659   27.090   24.158  -1.0470   18.443  109.772   47.175   78.609   36.703 31.16374 59.77114 
1 1 1   -5   31    2 o   80.409   35.454   5.9811   14.405   18.660   21.316  -4.6760   19.543  100.410   43.729   77.134   36.556 23.27576 56.99667 
1 1 1   -5   31    3 o  124.424   40.483   30.719   14.956   33.290   24.592   29.210   18.841  116.089   48.638  115.480   44.529 0.6096802 65.94286 
1 1 1   -5   31    4 f  126.921   36.653   29.677   12.724   33.236   17.047   25.200   19.119  125.055   43.242  108.592   43.898 16.46315 61.61909 
1 1 1   -5   31    5 o  115.862   38.100   25.817   13.235   0.4277   17.414   60.540   20.364   77.772   36.094  169.831   45.412 -92.05961 58.00850 
1 1 1   -5   31    6 o   97.886   36.335   17.578   12.271   15.604   16.725   19.880   18.059   94.137   39.810  100.203   41.805 -6.066216 57.72782 
1 1 1   -5   31    7 o  216.247   20.412   68.192   11.298   76.279   17.024   61.827   15.104  213.236   31.794  192.337   31.401 20.89980 44.68607 
1 1 1   -5   31    8 f  174.736   26.025   47.893   11.420   16.358   17.931   69.414   14.813   94.032   40.528  207.563   28.288 -113.5308 49.42391 
1 1 1   -5   31    9 o  144.407   28.767   34.378   10.383   25.706   15.429   41.555   14.036  109.144   40.697  148.856   36.648 -39.71204 54.76638 
1 1 1   -5   31   10 o   60.432   27.759  -1.4326   9.9256   24.402   16.255 -16.7907   12.533  104.677   41.079   53.004   26.072 51.67347 48.65374 
1 1 1   -5   31   11 f  105.200   32.731   20.484   9.8690   17.313   15.033   22.885   13.083   92.774   38.377  104.889   37.741 -12.11478 53.82522 
1 1 1   -5   31   12 o   54.365   25.758  -5.5266   9.6900   7.5480   15.377 -14.1388   12.480   78.815   35.553   54.090   26.485 24.72462 44.33345 
1 1 1   -5   31   13 f  147.824   39.299   45.781   15.307   56.570   22.642   36.700   20.774  137.940   49.649  112.527   45.664 25.41211 67.45506 
1 1 1   -5   31   14 o   94.364   34.970   18.329   11.357   43.371   15.893  -7.8030   16.235  137.721   41.286   64.806   31.385 72.91419 51.86076 
1 1 1   -5   31   15 o   80.943   31.872   12.115   9.8160   9.9322   14.580   13.925   13.275   78.514   35.081   83.782   35.451 -5.267487 49.87375 
1 1 1   -5   31   16 o  181.158   21.707   51.153   9.9831   50.599   14.554   51.646   13.719  157.715   36.369  164.835   33.278 -7.120453 49.29659 
1 1 1   -5   31   17 o  156.614   24.526   40.341   9.6232   28.437   14.161   50.554   13.117  106.427   39.120  164.014   32.024 -57.58757 50.55576 
1 1 1   -5   31   18 f  122.180   32.583   29.704   10.501   21.990   17.923   33.737   12.959   88.945   39.365  121.313   37.468 -32.36815 54.34567 
1 1 1   -5   31   19 o  189.490   24.755   60.234   11.860   51.870   19.860   64.870   14.786  125.044   46.263  183.196   32.342 -58.15235 56.44721 
1 1 1   -5   31   20 o  123.813   37.364   36.276   12.985   43.070   19.971   31.300   17.092  108.084   44.421   98.796   40.898 9.287849 60.38129 
1 1 1   -5   31   21 o   88.038   33.010   17.953   10.178   15.910   19.514   18.716   11.929   77.789   36.766   86.279   34.746 -8.489647 50.58689 
1 1 1   -5   31   22 f  108.731   30.366   24.307   8.8810   12.840   19.538   27.294   9.9706   73.790   35.403  111.816   32.491 -38.02630 48.05253 
1 1 1   -5   31   23 o   49.344   23.066  -1.1022   7.3182   8.6140   17.823  -3.0725   8.0259   68.971   33.275   48.617   23.152 20.35379 40.53693 
1 1 1   -5   31   24 o   49.177   22.883  -0.3541   7.0728 -13.2500   16.877   2.3932   7.7898   55.036   27.585   54.607   24.897 0.4290504 37.15945 
1 1 1   -5   31   25 o   58.049   25.525   5.2823   7.4195   14.800   17.878   3.3019   8.1550   69.139   33.348   55.528   25.378 13.61148 41.90666 
1 1 1   -5   31   26 o   58.705   26.972   5.6091   9.3788   0.0000   0.0000   5.6091   9.3788  ?   ?    58.705   26.972 0.000000 26.97228 
1 1 1   -5   31   27 o   40.476   20.348 -15.0752   9.5308 -45.4100   21.666  -7.7969   10.613   47.790   24.561   46.846   23.217 0.9438019 33.79772 
1 1 1   -5   31   28 o   57.093   27.280   5.6346   11.342  -3.2960   22.457   8.6930   13.142   56.559   28.745   59.988   28.848 -3.428741 40.72437 
1 1 1   -5   31   29 o   53.065   25.603   2.8045   10.557  -5.8700   22.372   5.2893   11.974   54.548   27.813   55.806   27.008 -1.258415 38.76913 
1 1 1   -5   31   30 o   48.155   22.884   1.3147   7.7613   15.870   18.065  -1.9802   8.5950   60.196   29.912   45.932   22.379 14.26427 37.35683 
1 1 1   -5   31   31 o   56.263   25.854   8.2335   8.6217   34.090   21.685   3.3788   9.3963   63.599   31.786   50.735   24.397 12.86429 40.06978 
1 1 1   -5   31   32 o   60.104   27.034   12.207   8.8160   7.9340   23.090   12.936   9.5387   53.116   27.179   60.036   27.442 -6.920490 38.62326 
1 1 1   -5   31   33 o   43.869   21.371   0.0638   7.8291   9.1200   21.288  -1.3527   8.4191   51.294   26.235   43.308   21.315 7.985561 33.80238 
1 1 1   -5   32    1 o  180.067   22.811   49.663   10.401   67.694   15.734   35.667   13.862  197.258   31.880  132.590   38.248 64.66753 49.79177 
1 1 1   -5   32    2 o  168.318   23.961   44.137   10.152   41.937   15.574   45.762   13.386  140.651   40.532  159.280   33.507 -18.62848 52.58842 
1 1 1   -5   32    3 o  128.681   28.837   28.078   9.3741   22.936   14.932   31.424   12.043  101.895   39.542  128.052   35.212 -26.15728 52.94769 
1 1 1   -5   32    4 o  134.605   30.401   31.545   10.350   33.848   15.449   29.669   13.940  122.155   41.190  117.224   39.129 4.930527 56.81275 
1 1 1   -5   32    5 o  159.890   25.180   40.818   10.084   33.590   15.398   46.244   13.342  121.140   41.121  159.436   33.377 -38.29617 52.96217 
1 1 1   -5   32    6 o  167.241   23.989   44.031   10.095   42.743   14.696   45.181   13.891  143.996   38.608  153.638   35.600 -9.641571 52.51657 
1 1 1   -5   32    7 f   66.452   28.965   4.2709   9.3697 -14.8554   14.621   17.599   12.205   57.789   28.372   92.632   35.806 -34.84311 45.68369 
1 1 1   -5   32    8 o   78.125   31.046   10.450   9.3939  -2.3360   14.774   19.128   12.171   66.945   31.744   95.225   36.014 -28.27986 48.00667 
1 1 1   -5   32    9 o   88.801   34.420   15.952   11.303   22.850   21.667   13.373   13.249   92.881   42.022   83.415   35.362 9.465981 54.92141 
1 1 1   -5   32   10 o   73.473   31.330   8.2416   10.507   12.300   23.199   7.1944   11.785   83.312   39.584   72.854   32.098 10.45812 50.96244 
1 1 1   -5   32   11 o  102.086   39.945   26.757   15.335   66.310   23.360  -3.1990   20.329  142.223   50.509   71.103   34.593 71.11945 61.21981 
1 1 1   -5   32   12 o   92.066   33.353   17.720   10.240   20.987   13.632   13.490   15.514   93.541   37.327   81.351   36.279 12.18959 52.05276 
1 1 1   -5   32   13 o   77.392   30.400   11.234   8.9108   8.3491   14.440   13.008   11.324   74.295   33.883   80.260   33.263 -5.965446 47.48121 
1 1 1   -5   32   14 o   53.306   25.034  -2.5151   8.7925  -3.6272   13.636  -1.7237   11.503   61.396   29.489   59.714   28.225 1.682098 40.81949 
1 1 1   -5   32   15 o   76.553   29.503   11.229   8.2675   8.5259   12.866   13.130   10.790   72.282   32.571   79.240   32.619 -6.957550 46.09652 
1 1 1   -5   32   16 o   78.788   30.970   12.759   9.2538   4.1563   13.440   20.514   12.760   67.071   31.321   89.898   36.030 -22.82676 47.74098 
1 1 1   -5   32   17 o   62.363   27.465   4.8612   8.6196  -7.1752   11.739   18.941   12.697   54.052   26.295   85.995   35.390 -31.94304 44.08934 
1 1 1   -5   32   18 o   48.031   22.410  -1.7287   6.8565  -4.3685   8.8200   2.3030   10.900   49.961   23.922   61.036   28.403 -11.07436 37.13508 
1 1 1   -5   32   19 o   64.688   28.317   6.7957   9.0411   4.5000   16.616   7.7613   10.776   66.827   32.212   67.057   30.046 -0.2300415 44.04975 
1 1 1   -5   32   20 o   89.461   33.461   20.430   10.445   11.690   17.504   25.264   13.017   70.955   33.900   91.781   36.523 -20.82590 49.83078 
1 1 1   -5   32   21 o   70.229   30.365   11.308   10.130   13.560   18.264   10.307   12.175   70.557   33.950   68.263   31.124 2.294098 46.05785 
1 1 1   -5   32   22 o   83.319   30.955   17.368   8.9102   5.8330   18.227   20.990   10.214   64.051   31.493   87.590   33.023 -23.53876 45.63272 
1 1 1   -5   32   23 o   68.922   29.922   12.267   9.9175   26.470   17.948   6.0243   11.899   76.025   35.724   60.626   28.671 15.39886 45.80653 
1 1 1   -5   32   24 o   41.862   20.768  -9.5528   8.5740   0.0000   0.0000  -9.5528   8.5740  ?   ?    41.862   20.768 0.000000 20.76792 
1 1 1   -5   32   25 o   58.247   26.890   6.8253   9.4783   31.150   20.626   0.3133   10.672   70.970   34.598   52.256   25.340 18.71413 42.88504 
1 1 1   -5   32   26 o   41.474   20.626  -8.8594   8.6632  -4.0270   20.492  -9.9111   9.5595   54.735   27.782   42.550   21.242 12.18529 34.97186 
1 1 1   -5   32   27 o   45.000   22.736 -13.3339   12.757 -55.2300   21.920   8.1230   15.687   44.245   22.826   57.136   28.301 -12.89164 36.35870 
1 1 1   -5   32   28 o   87.080   32.672   26.467   9.9736   32.410   23.662   25.184   10.998   62.550   31.524   78.847   32.737 -16.29707 45.44755 
1 1 1   -5   32   29 o   59.034   25.919   9.8615   7.6250   12.510   20.897   9.4548   8.1896   55.559   28.185   57.698   25.994 -2.138653 38.34174 
1 1 1   -5   32   30 o   46.659   22.222   2.3055   7.3992  -3.5220   16.508   3.7706   8.2773   48.579   24.685   48.900   23.349 -0.3210258 33.97827 
1 1 1   -5   32   31 o   52.698   24.577   8.1538   8.2322 -31.4500   22.475   14.291   8.8471   44.174   22.802   60.528   27.165 -16.35379 35.46637 
1 1 1   -5   32   32 o   49.821   23.557   7.1707   8.0263  -8.1060   22.802   9.3312   8.5751   46.043   23.733   52.026   24.523 -5.983307 34.12635 
1 1 1   -5   33    1 o  116.021   32.345   26.272   10.086   19.588   15.266   31.450   13.435   89.955   38.037  116.317   38.395 -26.36192 54.04573 
1 1 1   -5   33    2 o  214.083   19.336   69.124   10.607   73.753   15.618   65.161   14.451  201.159   30.966  190.013   30.385 11.14565 43.38386 
1 1 1   -5   33    3 o  148.499   26.260   37.293   9.7317   30.982   16.070   40.948   12.229  106.743   41.134  145.462   33.189 -38.71957 52.85369 
1 1 1   -5   33    4 o  272.683   16.904  108.554   11.881  108.521   17.503  108.582   16.179  251.260   27.335  257.335   24.571 -6.075272 36.75465 
1 1 1   -5   33    5 o  160.827   27.438   44.816   11.020   29.240   22.037   50.010   12.726   94.105   42.496  164.434   31.015 -70.32907 52.61019 
1 1 1   -5   33    6 o  117.624   41.528   37.133   15.768   56.630   23.849   21.990   21.018  120.473   48.913   87.518   40.272 32.95461 63.35919 
1 1 1   -5   33    7 o   57.388   27.987  -8.8995   13.532 -17.2800   20.118  -1.9760   18.286   62.151   30.993   68.156   33.078 -6.005100 45.32909 
1 1 1   -5   33    8 o   58.416   27.515  -1.5676   10.759 -15.0030   13.732   19.790   17.314   53.638   26.552   85.869   38.307 -32.23092 46.60933 
1 1 1   -5   33    9 o   71.881   32.331   8.3184   12.608   0.0000   0.0000   8.3184   12.608  ?   ?    71.881   32.331 0.000000 32.33077 
1 1 1   -5   33   10 o   86.279   31.030   15.485   8.8428   29.147   14.493   7.3832   11.161  102.442   39.165   69.328   30.855 33.11414 49.85892 
1 1 1   -5   33   11 o   54.196   25.551  -2.0990   9.3186 -16.6308   13.543   10.965   12.841   51.633   25.696   74.349   33.092 -22.71604 41.89738 
1 1 1   -5   33   12 o   76.597   30.861   12.184   9.4151   22.703   14.173   3.8761   12.596   89.916   37.234   65.283   30.431 24.63354 48.08749 
1 1 1   -5   33   13 o  113.326   28.348   24.434   8.3007   20.442   12.158   27.919   11.360   88.732   35.301  108.140   35.286 -19.40711 49.91309 
1 1 1   -5   33   14 o   75.656   30.251   12.156   8.9714   3.7754   12.694   20.520   12.681   64.163   30.116   86.849   35.511 -22.68626 46.56170 
1 1 1   -5   33   15 f   89.677   31.790   18.487   9.2497   16.767   12.798   20.367   13.384   79.434   34.238   84.216   35.613 -4.782066 49.40143 
1 1 1   -5   33   16 o   69.582   28.241   9.7574   7.9471   0.4167   10.923   20.262   11.584   57.619   27.314   86.203   34.406 -28.58384 43.92987 
1 1 1   -5   33   17 o   72.098   29.232   11.444   8.5053   17.620   11.543   4.1088   12.580   80.021   33.408   62.146   29.417 17.87433 44.51356 
1 1 1   -5   33   18 o   58.795   26.151   5.0376   8.0060   8.1864   11.174   1.7158   11.477   64.931   29.688   58.074   27.663 6.856609 40.57853 
1 1 1   -5   33   19 o   70.088   29.608   11.899   9.2359  -3.2910   17.224   18.030   10.942   58.470   29.079   78.798   32.680 -20.32748 43.74430 
1 1 1   -5   33   20 o   74.948   28.450   13.408   7.6138   17.400   18.342   12.577   8.3689   68.692   33.289   71.290   28.964 -2.597641 44.12577 
1 1 1   -5   33   21 o  148.932   27.221   45.329   10.114   47.240   19.478   44.624   11.835   88.316   39.910  131.269   34.393 -42.95327 52.68464 
1 1 1   -5   33   22 o   54.047   26.065   2.2263   10.911   0.0000   0.0000   2.2263   10.911  ?   ?    54.047   26.065 0.000000 26.06483 
1 1 1   -5   33   23 o   58.806   29.257   8.6640   17.503   0.0000   0.0000   8.6640   17.503  ?   ?    58.806   29.257 0.000000 29.25708 
1 1 1   -5   33   24 f   55.469   25.978   6.4438   9.3586   0.6671   17.784   8.6562   11.006   54.144   27.292   57.797   27.404 -3.653358 38.67620 
1 1 1   -5   33   25 o   48.002   23.513  -0.6905   9.8659   15.800   19.801  -6.1365   11.379   58.467   29.384   46.080   23.030 12.38739 37.33310 
1 1 1   -5   33   26 o   57.082   26.794   9.9257   10.050   31.160   22.131   4.4090   11.280   61.272   30.829   51.915   25.369 9.356583 39.92537 
1 1 1   -5   33   27 o   48.877   23.590   3.0607   8.9791   37.850   22.718  -3.3798   9.7750   61.175   30.838   44.496   22.092 16.67905 37.93472 
1 1 1   -5   33   28 o   45.658   22.328   0.6911   8.7860   23.030   22.436  -3.3549   9.5486   55.042   28.047   43.436   21.610 11.60627 35.40654 
1 1 1   -5   33   29 o   62.129   27.144   14.897   8.2719   43.530   19.654   8.7324   9.1190   61.688   30.741   52.142   24.787 9.545837 39.48956 
1 1 1   -5   33   30 o   48.487   23.464   6.6749   9.0327 -10.1400   20.096   10.932   10.112   44.641   22.975   51.797   25.008 -7.155556 33.95924 
1 1 1   -5   34    1 o  129.824   40.148   44.110   14.874   33.420   20.928   55.020   21.143   92.389   41.595  118.297   46.713 -25.90733 62.54831 
1 1 1   -5   34    2 o   93.628   35.726   22.457   12.045   39.984   15.659  -2.9370   18.849  116.467   41.356   65.427   32.140 51.04035 52.37635 
1 1 1   -5   34    3 o   79.510   33.183   14.676   11.383   18.197   13.850   7.3450   19.984   82.866   35.667   71.864   34.807 11.00175 49.83684 
1 1 1   -5   34    4 o   78.203   33.277   14.226   11.808   25.325   14.536  -7.3130   20.249   92.559   37.952   64.032   31.792 28.52684 49.50864 
1 1 1   -5   34    5 o   81.937   31.431   14.891   9.3538   18.338   14.730   12.562   12.108   81.643   35.931   75.204   32.849 6.438850 48.68416 
1 1 1   -5   34    6 f  160.276   23.431   43.424   9.4404   50.030   13.357   36.831   13.344  151.970   34.696  119.293   38.185 32.67683 51.59322 
1 1 1   -5   34    7 o  104.040   32.412   23.967   9.6739   13.976   14.186   32.652   13.226   75.721   34.154  109.498   38.076 -33.77694 51.14960 
1 1 1   -5   34    8 o   71.045   29.345   10.137   8.7714   4.7458   13.287   14.301   11.677   65.176   30.662   76.999   32.936 -11.82279 44.99920 
1 1 1   -5   34    9 o   52.591   24.803  -1.3871   8.7955   1.1985   13.216  -3.4425   11.784   61.519   29.410   55.822   26.962 5.696510 39.89857 
1 1 1   -5   34   10 o   42.970   21.165 -10.0281   8.3529  -1.0354   11.708 -19.3493   11.920   57.457   27.524   45.664   22.928 11.79313 35.82329 
1 1 1   -5   34   11 o   53.741   24.670   1.3557   7.8229  -4.7826   10.283   9.7886   12.053   51.555   24.970   68.750   31.200 -17.19517 39.96149 
1 1 1   -5   34   12 o   50.539   23.815  -1.1754   8.0759  -5.3801   11.708   2.6415   11.155   53.142   25.942   59.484   28.017 -6.342438 38.18286 
1 1 1   -5   34   13 o   56.912   25.851   3.5204   8.2989   6.1926   11.714   0.8276   11.759   63.115   29.396   57.809   27.664 5.305889 40.36597 
1 1 1   -5   34   14 o  105.535   28.892   23.526   8.1292   23.249   11.042   23.852   12.011   90.150   34.253   88.040   35.068 2.109955 49.02040 
1 1 1   -5   34   15 o   69.225   29.020   11.299   8.7633   6.3125   12.216   16.586   12.579   61.888   29.201   73.657   32.770 -11.76945 43.89301 
1 1 1   -5   34   16 o   35.347   17.870 -18.2599   7.9582 -12.2234   11.112 -24.6172   11.403   45.894   22.910   40.630   20.633 5.264446 30.83109 
1 1 1   -5   34   17 o   47.911   22.748  -0.8479   7.6359   6.0650   11.057  -7.1497   10.557   59.281   27.913   47.532   23.484 11.74943 36.47805 
1 1 1   -5   34   18 o   62.131   26.840   8.8627   7.9004   4.6442   10.981   13.389   11.375   56.772   27.048   66.469   30.220 -9.696529 40.55670 
1 1 1   -5   34   19 o   71.186   28.657   13.922   8.1112  -5.7881   11.285   34.984   11.666   48.099   23.856  102.608   35.755 -54.50910 42.98326 
1 1 1   -5   34   20 o   36.836   18.492 -12.4073   7.7317   0.0000   0.0000 -12.4073   7.7317  ?   ?    36.836   18.492 0.000000 18.49168 
1 1 1   -5   34   21 o   50.010   23.804   2.3947   8.4629 -12.0400   20.313   5.4265   9.3093   50.872   25.987   53.885   25.445 -3.012981 36.37047 
1 1 1   -5   34   22 o   45.269   21.743  -0.1556   7.4127 -10.5300   17.288   2.1814   8.2053   48.763   24.826   48.774   23.277 -0.1132584E-01 34.03129 
1 1 1   -5   34   23 o   49.606   24.144   2.6031   9.9310  -8.9580   17.451   8.1402   12.077   48.416   24.676   54.396   26.508 -5.979996 36.21618 
1 1 1   -5   34   24 o   52.730   26.122   7.4258   13.384   6.6930   17.800   8.3790   20.301   52.395   26.517   52.900   26.929 -0.5050812 37.79323 
1 1 1   -5   34   25 o   48.142   23.788   2.3328   10.845   27.650   20.653  -7.3051   12.743   57.190   28.899   44.405   22.469 12.78481 36.60628 
1 1 1   -5   34   26 o   54.938   26.487   12.984   11.247 -34.6400   22.144   29.540   13.056   43.290   22.356   67.254   31.227 -23.96411 38.40458 
1 1 1   -5   34   27 o   37.242   18.844 -10.5674   8.9557   16.050   22.105 -15.7943   9.7956   50.302   25.800   36.282   18.492 14.01942 31.74230 
1 1 1   -5   34   28 o   39.864   19.911  -3.1992   8.4469   6.0420   21.417  -4.9016   9.1921   46.795   24.064   39.666   19.946 7.129192 31.25597 
1 1 1   -5   34   29 o   34.434   17.450  -9.8987   7.8768  -1.8110   17.851 -11.8543   8.7776   43.426   22.319   34.931   17.774 8.495369 28.53185 
1 1 1   -5   35    1 o   43.189   21.255  -9.2569   8.3689 -17.6094   12.057  -1.4917   11.626   46.237   23.194   56.015   26.986 -9.778042 35.58432 
1 1 1   -5   35    2 o   65.510   28.002   8.3287   8.4294   0.1614   13.051   14.175   11.042   58.914   28.436   74.492   31.950 -15.57776 42.77134 
1 1 1   -5   35    3 o   54.629   25.358   1.4631   8.6012  -5.4870   13.282   6.4833   11.288   55.017   27.017   63.514   29.329 -8.497810 39.87632 
1 1 1   -5   35    4 o   74.356   30.073   13.014   8.9776   6.2352   12.841   19.496   12.557   63.788   30.049   80.544   34.295 -16.75660 45.59728 
1 1 1   -5   35    5 o   85.338   29.835   16.693   8.1256   17.662   11.972   15.866   11.064   78.214   33.400   76.577   32.381 1.636818 46.51960 
1 1 1   -5   35    6 o   62.944   27.675   7.2900   8.7204  -7.3256   12.100   23.084   12.579   51.686   25.461   85.559   35.219 -33.87324 43.45858 
1 1 1   -5   35    7 o  123.144   29.768   31.992   9.3903   24.395   13.216   39.738   13.345   85.448   35.716  115.602   38.270 -30.15369 52.34731 
1 1 1   -5   35    8 o  121.097   28.742   30.318   8.8806   37.062   12.988   24.397   12.170  110.601   37.765   87.736   35.179 22.86487 51.61136 
1 1 1   -5   35    9 o   99.973   30.700   23.332   8.7144   14.970   11.666   33.890   13.108   72.307   31.892  101.670   37.591 -29.36250 49.29705 
1 1 1   -5   35   10 o   71.418   29.683   12.921   9.0548   4.1875   12.862   21.502   12.749   59.636   28.642   79.407   34.200 -19.77108 44.60948 
1 1 1   -5   35   11 o  109.007   29.132   26.131   8.3832   31.652   12.596   21.740   11.232   96.871   36.636   82.717   33.574 14.15427 49.69321 
1 1 1   -5   35   12 o   70.598   28.297   12.287   7.8711   19.834   11.519   5.6772   10.781   77.353   32.890   58.783   27.643 18.56944 42.96352 
1 1 1   -5   35   13 o   55.852   25.607   4.8391   8.3932  -3.2049   11.753   13.210   11.990   51.376   25.267   66.237   30.456 -14.86056 39.57240 
1 1 1   -5   35   14 o   70.364   28.634   13.302   8.1962   3.1675   11.375   24.245   11.820   55.212   26.623   81.062   33.821 -25.85042 43.04274 
1 1 1   -5   35   15 o   54.342   24.899   4.9456   7.9177  -5.0437   10.809   16.514   11.631   47.777   23.634   68.231   30.837 -20.45411 38.85180 
1 1 1   -5   35   16 o   87.328   30.966   22.260   8.7769   26.631   12.510   18.022   12.317   78.682   33.882   67.582   30.999 11.09949 45.92292 
1 1 1   -5   35   17 o   49.005   23.772   0.4626   9.4125   10.810   15.809  -5.2194   11.715   58.029   28.683   47.425   23.649 10.60487 37.17526 
1 1 1   -5   35   18 o   46.966   23.130  -1.9383   9.9651  -5.0010   15.603   0.1714   12.950   49.739   25.132   50.623   25.182 -0.8836403 35.57770 
1 1 1   -5   35   19 o   44.678   21.843  -1.6530   8.3934  -2.1633   11.321  -1.0300   12.507   47.389   23.569   48.874   24.382 -1.484470 33.91191 
1 1 1   -5   35   20 o   51.037   24.641   5.0855   9.8170   2.3750   21.127   5.8318   11.087   51.647   26.393   51.846   25.295 -0.1986580 36.55672 
1 1 1   -5   35   21 o   46.152   22.767   0.0102   9.7897 -38.1400   20.088   11.894   11.211   42.669   22.006   55.820   26.791 -13.15074 34.67050 
1 1 1   -5   35   22 o   44.481   22.550  -6.9202   13.235  -7.5740   17.963  -6.1440   19.574   46.685   23.895   47.528   24.370 -0.8428345 34.13037 
1 1 1   -5   35   23 o   54.112   25.843   11.535   10.153   9.1280   17.506   12.755   12.463   50.273   25.533   53.355   26.195 -3.081970 36.58017 
1 1 1   -5   35   24 o   44.382   22.041   0.6954   9.7553   19.720   17.356  -8.0907   11.795   52.559   26.551   41.497   21.064 11.06212 33.89131 
1 1 1   -5   35   25 o   36.391   18.576 -15.3249   10.203 -44.9100   19.959  -4.8567   11.872   38.993   20.192   41.973   21.288 -2.979828 29.34103 
1 1 1   -5   35   26 o   41.329   20.786  -1.4980   10.002  -5.1730   21.796  -0.5175   11.258   43.822   22.613   42.446   21.435 1.375362 31.15792 
1 1 1   -5   35   27 o   34.561   17.650 -13.3440   9.3114 -14.5300   22.096 -13.0879   10.267   41.325   21.395   35.788   18.297 5.537663 28.15217 
1 1 1   -5   36    1 o   77.806   30.186   16.307   8.6998   18.007   12.957   14.912   11.739   71.855   32.504   69.393   31.206 2.462181 45.05885 
1 1 1   -5   36    2 o   89.872   31.228   21.370   8.8959   7.1077   12.950   34.115   12.242   60.529   28.983  101.902   36.524 -41.37329 46.62670 
1 1 1   -5   36    3 o   67.683   28.078   11.345   8.0807  -6.0371   10.611   35.345   12.468   48.148   23.742  102.810   36.859 -54.66108 43.84421 
1 1 1   -5   36    4 o   52.574   24.568   2.4077   8.2921  -6.3571   12.474   9.3475   11.100   50.329   24.982   62.292   28.877 -11.96356 38.18355 
1 1 1   -5   36    5 o   85.133   30.392   19.224   8.4679   16.604   12.465   21.469   11.540   69.650   31.655   78.514   33.127 -8.863243 45.81977 
1 1 1   -5   36    6 o   56.808   25.857   5.7693   8.3564   5.9291   11.540   5.5931   12.117   58.121   27.701   57.999   27.841 0.1218643 39.27413 
1 1 1   -5   36    7 f   68.947   28.109   12.404   7.9168   8.7535   10.529   17.153   12.009   60.593   28.102   69.863   31.475 -9.269470 42.19480 
1 1 1   -5   36    8 o   71.224   28.884   14.077   8.3055   1.5137   12.038   25.489   11.474   53.899   26.310   83.669   33.942 -29.77015 42.94516 
1 1 1   -5   36    9 o   84.272   30.528   20.140   8.5788   14.792   12.041   25.654   12.226   65.487   30.258   79.949   33.935 -14.46260 45.46613 
1 1 1   -5   36   10 o   65.712   28.114   12.299   8.5120 -14.6963   12.403   36.331   11.703   44.428   22.444  102.816   35.813 -58.38803 42.26419 
1 1 1   -5   36   11 o   51.900   24.044   4.0771   7.6769   7.0787   12.293   2.1578   9.8294   56.463   27.336   51.318   24.746 5.145065 36.87342 
1 1 1   -5   36   12 o   47.240   22.408   1.1246   7.3739  -1.6855   10.105   4.3249   10.784   47.858   23.514   53.154   25.702 -5.296356 34.83596 
1 1 1   -5   36   13 o   63.988   27.390   12.340   8.0853   13.549   10.705   10.736   12.336   61.723   28.523   57.725   27.807 3.998280 39.83477 
1 1 1   -5   36   14 o   61.300   27.946   13.128   9.8115   7.0820   15.837   16.894   12.499   54.081   27.049   62.008   29.343 -7.927055 39.90863 
1 1 1   -5   36   15 o   69.218   31.025   22.618   11.502   17.450   16.384   27.640   16.150   57.940   28.738   64.185   31.136 -6.244545 42.37120 
1 1 1   -5   36   16 o  107.123   32.358   35.880   9.7356   25.725   12.084   54.670   16.436   69.915   31.529   86.054   37.911 -16.13866 49.30872 
1 1 1   -5   36   17 o   54.059   24.923   8.5746   8.1021   8.5376   11.909   8.6066   11.055   52.430   25.714   52.693   25.607 -0.2629242 36.28923 
1 1 1   -5   36   18 o   47.994   23.091   4.1773   8.4436 -12.9807   12.878   17.115   11.183   41.826   21.306   59.295   27.966 -17.46963 35.15771 
1 1 1   -5   36   19 o   46.458   22.626   3.1369   8.7594   6.7545   13.508   0.5120   11.507   49.461   24.774   45.905   22.974 3.556473 33.78743 
1 1 1   -5   36   20 o   46.997   23.637   3.3152   12.940   8.4740   21.537   0.4011   16.187   48.804   25.060   46.548   23.728 2.256618 34.51079 
1 1 1   -5   36   21 o   56.171   26.301   14.916   9.5819  -2.9300   21.373   19.405   10.720   45.820   23.587   58.786   27.619 -12.96581 36.31990 
1 1 1   -5   36   22 o   50.107   23.856   9.3351   8.5108  -4.1910   20.245   12.239   9.3800   44.480   22.900   52.236   24.917 -7.755550 33.84206 
1 1 1   -5   36   23 o   41.289   20.531   0.3462   8.5729 -11.1100   17.455   3.9884   9.8418   41.586   21.403   44.154   21.963 -2.567547 30.66669 
1 1 1   -5   36   24 o   41.999   20.865   2.6208   8.7727   10.630   16.976  -0.2977   10.247   45.009   23.052   40.879   20.620 4.130314 30.92858 
1 1 1   -5   36   25 o   40.913   20.734   1.6395   11.115  -2.9790   20.233   3.6360   13.303   41.208   21.284   41.907   21.375 -0.6996155 30.16511 
1 1 1   -5   37    1 o   44.254   21.452  -1.8155   7.6293  -3.2316   10.778  -0.3934   10.801   47.341   23.451   49.283   24.234 -1.941391 33.72264 
1 1 1   -5   37    2 o   62.023   27.291   11.387   8.4935   4.7728   11.907   18.238   12.119   53.541   26.142   65.809   30.389 -12.26732 40.08628 
1 1 1   -5   37    3 o   44.488   21.686  -2.2172   8.0986 -13.1616   11.672   7.9440   11.246   43.011   21.733   55.877   26.823 -12.86642 34.52217 
1 1 1   -5   37    4 o   65.938   28.267   13.998   8.6348   3.0146   12.545   23.886   11.903   52.166   25.741   72.823   32.163 -20.65765 41.19508 
1 1 1   -5   37    5 o   61.275   26.496   10.742   7.7141   10.338   10.488   11.218   11.386   57.890   27.236   58.274   27.701 -0.3846855 38.84752 
1 1 1   -5   37    6 o   74.495   29.289   17.898   8.2779   20.634   11.949   15.373   11.479   67.234   30.725   61.994   28.949 5.240639 42.21426 
1 1 1   -5   37    7 o   84.280   31.195   23.924   9.0321   19.407   13.046   28.082   12.517   63.261   29.948   74.453   32.927 -11.19186 44.50980 
1 1 1   -5   37    8 o   36.985   18.612 -11.4248   8.0785 -25.8782   12.230  -0.2372   10.760   38.378   19.648   47.780   23.625 -9.402241 30.72819 
1 1 1   -5   37    9 o   73.250   29.998   20.041   9.0672   38.350   14.860   9.1811   11.445   75.910   34.524   54.420   26.354 21.49077 43.43299 
1 1 1   -5   37   10 o   57.791   26.713   11.743   9.3983 -10.0300   15.803   23.658   11.690   46.043   23.468   68.229   30.868 -22.18636 38.77615 
1 1 1   -5   37   11 o   65.343   30.103   22.429   11.791   23.110   17.560   21.870   15.911   57.599   28.760   58.361   28.833 -0.7618790 40.72447 
1 1 1   -5   37   12 o   42.924   21.389  -3.5042   9.5088 -15.4531   12.031   16.380   15.520   40.292   20.532   54.892   27.349 -14.59960 34.19818 
1 1 1   -5   37   13 o   48.878   23.648   5.2665   9.1608   9.0366   11.238  -2.2000   15.815   51.692   25.273   46.852   23.842 4.839336 34.74439 
1 1 1   -5   37   14 o   49.688   24.309   7.0527   10.449  -3.5150   21.035   10.514   12.039   47.130   24.222   51.672   25.443 -4.542732 35.12916 
1 1 1   -5   37   15 o   48.078   23.120   5.6979   8.4412  -2.3624   12.701   12.074   11.297   44.412   22.468   52.411   25.562 -7.999573 34.03289 
1 1 1   -5   37   16 f   43.536   21.339   1.5079   8.1652   2.0458   13.029   1.1600   10.478   45.760   23.103   44.519   22.227 1.240818 32.05885 
1 1 1   -5   37   17 o   38.171   19.248  -7.0305   8.8889  -9.4210   21.805  -6.5540   9.7345   44.354   22.877   39.389   19.896 4.964428 30.31887 
1 1 1   -5   37   18 o   49.424   24.938   15.455   15.047   10.900   22.353   19.230   20.348   46.754   24.070   48.617   24.923 -1.863285 34.64875 
1 1 1   -5   37   19 o   39.349   19.955  -5.8395   10.414  -8.3855   12.127   1.3120   20.325   39.672   20.251   44.328   22.827 -4.655342 30.51517 
1 1 1   -5   37   20 o   62.136   27.376   20.329   8.5724   41.459   12.561   1.9072   11.728   70.010   31.802   42.573   21.544 27.43635 38.41249 
1 1 1   -5   37   21 o   35.206   18.015 -13.1135   10.147   5.1890   21.215 -18.5426   11.554   42.984   22.186   35.071   18.026 7.912903 28.58575 
1 1 1   -5   37   22 o   44.340   21.700   7.8299   8.3457   4.2250   21.579   8.4639   9.0499   41.726   21.566   44.416   21.906 -2.690109 30.74088 
1 1 1   -5   37   23 o   34.988   17.749  -5.3085   8.2866 -11.8200   19.493  -3.8722   9.1550   38.412   19.894   36.360   18.467 2.052166 27.14375 
1 1 1   -5   38    1 o   39.492   19.920  -9.1570   9.5564  -0.1007   16.111 -14.0727   11.870   47.698   24.253   40.283   20.515 7.414925 31.76526 
1 1 1   -5   38    2 o   45.622   22.452   1.2828   9.3317  -4.4490   15.014   4.8904   11.912   45.844   23.320   48.899   24.296 -3.054199 33.67681 
1 1 1   -5   38    3 o   40.865   20.650  -8.6045   10.552  -9.9800   14.827  -7.1930   15.020   43.908   22.411   44.856   22.865 -0.9484711 32.01625 
1 1 1   -5   38    4 o   53.120   25.749   11.193   10.991  -5.0640   17.279   22.240   14.243   46.206   23.633   57.913   28.344 -11.70724 36.90364 
1 1 1   -5   38    5 o   67.569   30.984   28.765   12.294   18.010   17.196   40.010   17.584   53.075   26.764   62.690   30.845 -9.614937 40.83777 
1 1 1   -5   38    6 o   43.050   21.512  -2.2191   9.9106   1.0086   12.490  -7.7050   16.283   46.169   23.221   44.674   22.857 1.494823 32.58318 
1 1 1   -5   38    7 o   51.389   24.779   9.5427   9.8514   8.0657   12.271   12.220   16.522   49.451   24.586   50.387   25.506 -0.9361267 35.42602 
1 1 1   -5   38    8 o   45.173   22.335   2.2605   9.6094 -15.7483   11.835   37.110   16.463   38.688   19.769   61.121   30.028 -22.43294 35.95078 
1 1 1   -5   38    9 o   55.945   25.677   12.922   8.4687   20.450   11.873   5.1258   12.082   57.526   27.600   47.025   23.536 10.50052 36.27258 
1 1 1   -5   38   10 o   42.162   20.822   0.1506   8.2706 -11.3794   11.422   12.860   11.992   39.213   19.984   51.020   25.173 -11.80679 32.14111 
1 1 1   -5   38   11 o   54.768   25.639   13.935   9.0993   8.3203   13.112   19.151   12.638   47.556   23.901   53.904   26.447 -6.348408 35.64725 
1 1 1   -5   38   12 o   52.769   24.870   12.392   8.8139   11.546   13.260   13.062   11.797   48.447   24.306   50.074   24.756 -1.627567 34.69331 
1 1 1   -5   38   13 o   44.780   21.772   4.7501   8.0175   8.1780   12.381   2.2746   10.521   46.513   23.357   43.466   21.785 3.047379 31.93923 
1 1 1   -5   38   14 o   44.321   22.121   4.7191   10.343 -20.3500   21.227   12.524   11.844   41.099   21.247   48.401   24.078 -7.302341 32.11226 
1 1 1   -5   38   15 o   45.362   23.069   9.5288   14.625   17.250   21.597   2.9900   19.875   45.866   23.615   43.632   22.474 2.233986 32.60002 
1 1 1   -5   38   16 o   45.742   22.873   9.9113   11.295   6.9213   13.587   16.600   20.321   43.902   22.317   45.196   23.252 -1.293816 32.22894 
1 1 1   -5   38   17 o   48.531   23.496   12.543   9.0810   15.994   13.401   9.6133   12.348   46.555   23.496   44.363   22.409 2.192188 32.46826 
1 1 1   -5   38   18 o   61.662   27.370   23.385   8.7249   4.5280   13.452   37.079   11.463   41.516   21.203   64.615   29.736 -23.09895 36.52154 
1 1 1   -5   38   19 o   42.631   21.092   7.3156   8.6217  -0.9860   12.600   14.626   11.823   38.936   19.935   44.838   22.557 -5.901817 30.10370 
1 1 1   -5   38   20 o   42.237   20.866   7.9785   8.3305   12.301   11.453   3.1224   12.139   42.793   21.612   39.203   20.031 3.590866 29.46715 
1 1 1   -5   38   21 o   44.763   22.325   17.052   10.452   24.180   22.257   15.036   11.838   40.486   20.976   42.394   21.474 -1.907864 30.01931 
1 1 1   -5   39    1 o   50.023   23.933   10.755   8.7888   11.098   12.348   10.403   12.512   47.687   23.856   47.270   23.701 0.4165688 33.62822 
1 1 1   -5   39    2 o   35.244   17.848  -9.0438   8.1438  -6.9347   11.601 -11.0929   11.435   39.717   20.232   38.168   19.498 1.549484 28.09757 
1 1 1   -5   39    3 o   45.961   22.343   6.5567   8.4343   29.157   12.763 -10.9653   11.238   58.509   28.210   37.964   19.388 20.54463 34.23009 
1 1 1   -5   39    4 o   34.832   17.658  -9.4986   8.1116 -25.2746   11.988   3.8247   11.017   34.689   17.847   43.798   21.998 -9.108688 28.32756 
1 1 1   -5   39    5 o   56.662   25.952   16.526   8.5904   23.532   11.803   8.6348   12.526   55.602   26.887   45.789   23.059 9.813759 35.42044 
1 1 1   -5   39    6 o   51.239   24.048   11.793   8.0912   20.784   11.386   2.6191   11.500   53.848   26.126   42.882   21.656 10.96625 33.93510 
1 1 1   -5   39    7 o   55.020   25.615   16.542   8.8805   8.8088   12.885   23.539   12.257   45.233   22.853   53.807   26.325 -8.574318 34.86085 
1 1 1   -5   39    8 o   36.229   18.333  -6.5921   8.4935 -30.1292   12.701   12.446   11.423   33.911   17.490   47.283   23.542 -13.37193 29.32803 
1 1 1   -5   39    9 o   40.299   20.152   0.7614   8.7682   6.7444   12.599  -4.8575   12.210   43.739   22.156   39.529   20.189 4.210072 29.97450 
1 1 1   -5   39   10 o   52.027   24.691   15.578   8.9745   1.5790   12.774   29.223   12.611   41.480   21.138   55.186   26.936 -13.70600 34.24005 
1 1 1   -5   39   11 o   36.975   18.811  -6.1381   9.8019 -34.0700   19.445   3.3779   11.349   37.095   19.231   41.567   21.052 -4.472752 28.51374 
1 1 1   -5   39   12 o   40.524   20.729   0.9779   13.331  -4.4720   18.975   6.2890   18.732   40.269   20.793   41.922   21.604 -1.652382 29.98429 
1 1 1   -5   39   13 o   45.577   22.603   12.427   10.119  -0.9805   12.864   34.190   16.390   39.369   20.155   48.649   24.708 -9.280136 31.88629 
1 1 1   -5   39   14 o   36.585   18.473  -2.0666   8.3459  -8.8223   11.650   5.0554   11.962   36.194   18.575   40.623   20.679 -4.429302 27.79672 
1 1 1   -5   39   15 o   36.200   18.285  -1.7033   8.2173  -3.6159   10.959   0.7532   12.420   36.870   18.855   38.620   19.775 -1.750481 27.32291 
1 1 1   -5   39   16 o   53.046   24.968   21.394   8.8309   17.425   11.806   26.436   13.306   44.026   22.198   46.239   23.345 -2.213100 32.21420 
1 1 1   -5   39   17 o   37.890   19.120   3.5783   8.8615   8.5230   12.171  -2.0004   12.928   39.448   20.148   36.615   18.822 2.832947 27.57220 
1 1 1   -5   39   18 o   42.282   21.073   13.309   9.2447   22.314   12.983   4.0467   13.167   42.483   21.617   37.220   19.129 5.262928 28.86559 
1 1 1   -5   40    1 o   39.120   19.516   2.0755   8.0127   22.583   10.969 -21.3906   11.733   50.981   24.934   33.432   17.223 17.54882 30.30422 
1 1 1   -5   40    2 o   39.893   19.873   3.2596   8.1824   1.2275   11.406   5.4140   11.745   39.452   20.093   41.023   20.843 -1.571407 28.95100 
1 1 1   -5   40    3 o   54.569   25.360   19.588   8.6427   29.044   12.974   12.045   11.588   50.655   25.200   43.723   22.039 6.931545 33.47732 
1 1 1   -5   40    4 o   38.780   19.448   1.7835   8.4454   4.2362   12.925  -0.0436   11.156   40.327   20.611   38.702   19.726 1.625053 28.52936 
1 1 1   -5   40    5 o   33.384   17.031  -9.0586   8.4787 -11.9048   12.233  -6.4271   11.763   35.609   18.305   36.757   18.850 -1.147919 26.27563 
1 1 1   -5   40    6 o   33.889   17.399 -12.6570   10.348 -12.9800   19.373 -12.5281   12.240   37.771   19.570   35.302   18.156 2.468807 26.69477 
1 1 1   -5   40    7 o   41.512   20.928   8.4160   10.480   29.580   19.786   0.1641   12.355   43.294   22.306   38.384   19.659 4.910755 29.73282 
1 1 1   -5   40    8 o   39.792   20.301   5.8067   12.060   0.5601   18.340   9.8040   16.008   38.770   20.033   40.367   20.761 -1.596497 28.85004 
1 1 1   -5   40    9 o   35.700   18.230  -3.8165   9.9041  -6.5068   12.070   1.7270   17.326   35.911   18.456   38.516   19.887 -2.605339 27.13139 
1 1 1   -5   40   10 o   34.374   17.525  -4.8025   8.8625  -6.1644   9.9960   0.2015   19.161   34.634   17.734   37.960   19.662 -3.326130 26.47802 
1 1 1   -5   40   11 f   33.521   17.067  -4.8018   8.1757  -9.4618   11.040   0.8576   12.166   33.975   17.461   37.062   19.018 -3.086361 25.81790 
1 1 1   -5   40   12 o   43.586   21.543   14.166   8.9151   17.453   12.413   10.664   12.812   41.524   21.130   39.175   20.061 2.349567 29.13622 
1 1 1   -5   40   13 o   40.796   20.367   11.009   8.7946   13.020   12.633   9.1186   12.251   39.228   20.075   38.217   19.574 1.010387 28.03807 
1 1 1   -5   40   14 o   35.987   18.208   3.3802   8.3566  -1.2530   12.184   7.4951   11.483   34.926   17.970   37.199   19.044 -2.272579 26.18430 
1 1 1   -5   40   15 o   32.840   16.773  -2.4746   8.4294   10.499   11.774 -16.1183   12.074   37.233   19.078   31.411   16.231 5.821598 25.04876 
1 1 1   -5   41    1 o   39.713   20.288   14.977   12.393   17.990   19.035   12.760   16.328   38.220   19.789   37.968   19.592 0.2514267 27.84707 
1 1 1   -5   41    2 o   33.814   17.408  -7.0220   11.673   0.6421   18.198 -12.3800   15.216   36.129   18.727   34.051   17.633 2.077770 25.72183 
1 1 1   -5   41    3 o   30.477   15.713 -17.2176   10.098 -20.7980   12.354 -10.0100   17.529   31.455   16.260   34.748   18.020 -3.292639 24.27139 
1 1 1   -5   41    4 o   33.604   17.230  -3.9015   9.7678   2.2456   11.516 -19.6600   18.439   35.801   18.379   33.817   17.559 1.983307 25.41921 
1 1 1   -5   41    5 o   30.778   15.819 -11.1450   8.9661 -14.3598   10.301  -1.0970   18.212   31.044   15.999   35.450   18.384 -4.406193 24.37090 
1 1 1   -5   41    6 o   32.970   16.829  -2.7432   8.3734  -2.5954   11.569  -2.9058   12.134   34.171   17.578   34.230   17.628 -0.5895233E-01 24.89424 
1 1 1   -5   41    7 o   38.929   19.568   10.622   8.8013  -8.3885   12.596   28.756   12.303   33.021   17.046   43.014   21.800 -9.992752 27.67320 
1 1 1   -5   41    8 o   40.940   20.480   15.478   9.0930   29.702   13.460   3.5365   12.333   41.246   21.076   35.052   18.038 6.193142 27.74129 
1 1 1   -5   41    9 o   32.930   16.859  -1.2698   9.0004  -9.7166   12.944   6.6371   12.524   32.294   16.692   35.323   18.177 -3.028900 24.67831 
1 1 1   -5   41   10 o   33.120   16.941   0.4572   8.8870 -11.2117   12.137   13.943   13.048   31.411   16.233   36.324   18.684 -4.912462 24.75091 
1 1 1   -5   41   11 o   31.012   15.925  -4.5010   8.7213 -11.5306   11.561   4.7821   13.285   30.737   15.883   33.922   17.511 -3.184788 23.64129 
1 1 1   -5   42    1 o   33.772   17.257   7.1376   9.0224   8.7546   12.575   5.4219   12.953   33.368   17.217   32.737   16.913 0.6303635 24.13452 
1 1 1   -5   42    2 o   31.713   16.303   0.9404   9.7050   19.348   13.605 -18.1327   13.848   34.929   18.019   29.633   15.383 5.296259 23.69230 
1 1 1   -4    0    1 o  884.745   21.094  1017.00   48.281  1017.00   48.281  1017.00   48.281  884.745   21.094  884.745   21.094 0.000000 0.000000 
1 1 1   -4    0    2 o  614.825   12.519  490.438   19.920  490.438   19.920  490.438   19.920  614.825   12.519  614.825   12.519 0.000000 0.000000 
1 1 1   -4    0    3 o  618.827   12.605  496.850   20.187  496.850   20.187  496.850   20.187  618.827   12.605  618.827   12.605 -0.000000 0.000000 
1 1 1   -4    0    4 o  464.836   11.598  280.494   13.945  280.494   13.945  280.494   13.945  464.836   11.598  464.836   11.598 -0.000000 0.000000 
1 1 1   -4    0    5 o  390.790   11.325  198.376   11.442  198.376   11.442  198.376   11.442  390.790   11.325  390.790   11.325 0.000000 0.000000 
1 1 1   -4    0    6 o  357.897   11.347  166.470   10.495  166.470   10.495  166.470   10.495  357.897   11.347  357.897   11.347 0.000000 0.000000 
1 1 1   -4    0    7 o   51.092   23.710   4.9435   3.4748   4.9435   3.4748   4.9435   3.4748   51.092   23.710   51.092   23.710 0.000000 0.000000 
1 1 1   -4    0    8 o  491.456   17.088  314.300   21.693  314.300   21.693  314.300   21.693  491.456   17.088  491.456   17.088 -0.000000 0.000000 
1 1 1   -4    0    9 o   96.671   31.127   15.380   6.8814   15.380   6.8814   15.380   6.8814   96.671   31.127   96.671   31.127 0.000000 0.000000 
1 1 1   -4    0   10 o  796.470   14.480  823.207   29.852  823.207   29.852  823.207   29.852  796.470   14.480  796.470   14.480 -0.000000 0.000000 
1 1 1   -4    0   11 o  118.087   18.853   19.416   5.3263   19.416   5.3263   19.416   5.3263  118.087   18.853  118.087   18.853 -0.000000 0.000000 
1 1 1   -4    0   12 o  151.046   15.042   30.460   5.7513   30.460   5.7513   30.460   5.7513  151.046   15.042  151.046   15.042 -0.000000 0.000000 
1 1 1   -4    0   13 o  587.350   13.090  448.104   19.894  448.104   19.894  448.104   19.894  587.350   13.090  587.350   13.090 0.000000 0.000000 
1 1 1   -4    0   14 o  1268.04   19.298  2092.99   63.354  2092.99   63.354  2092.99   63.354  1268.04   19.298  1268.04   19.298 0.000000 0.000000 
1 1 1   -4    0   15 o  418.591   12.698  228.094   13.739  228.094   13.739  228.094   13.739  418.591   12.698  418.591   12.698 -0.000000 0.000000 
1 1 1   -4    0   16 o   24.594   17.332  -5.1043   4.3713  -5.1043   4.3713  -5.1043   4.3713   24.594   17.332   24.594   17.332 0.000000 0.000000 
1 1 1   -4    0   17 o  198.243   15.855   52.023   8.0217   52.023   8.0217   52.023   8.0217  198.243   15.855  198.243   15.855 -0.000000 0.000000 
1 1 1   -4    0   18 o   91.023   34.086   14.550   7.4987   14.550   7.4987   14.550   7.4987   91.023   34.086   91.023   34.086 -0.000000 0.000000 
1 1 1   -4    0   19 o  526.349   19.013  361.100   25.846  361.100   25.846  361.100   25.846  526.349   19.013  526.349   19.013 -0.000000 0.000000 
1 1 1   -4    0   20 o  378.982   13.487  186.916   13.202  186.916   13.202  186.916   13.202  378.982   13.487  378.982   13.487 0.000000 0.000000 
1 1 1   -4    0   21 o  1873.61   26.376  4565.98  127.953  4565.98  127.953  4565.98  127.953  1873.61   26.376  1873.61   26.376 0.000000 0.000000 
1 1 1   -4    0   22 o  1028.51   17.546  1373.48   46.714  1373.48   46.714  1373.48   46.714  1028.51   17.546  1028.51   17.546 -0.000000 0.000000 
1 1 1   -4    0   23 o   62.958   35.759   6.7368   9.0536   6.7368   9.0536   6.7368   9.0536   62.958   35.759   62.958   35.759 -0.000000 0.000000 
1 1 1   -4    0   24 o  363.887   15.445  172.683   14.498  172.683   14.498  172.683   14.498  363.887   15.445  363.887   15.445 0.000000 0.000000 
1 1 1   -4    0   25 o  329.859   16.581  142.269   14.086  142.269   14.086  142.269   14.086  329.859   16.581  329.859   16.581 -0.000000 0.000000 
1 1 1   -4    0   26 o  688.912   14.966  616.712   26.679  616.712   26.679  616.712   26.679  688.912   14.966  688.912   14.966 0.000000 0.000000 
1 1 1   -4    0   27 o  581.163   14.845  439.238   22.315  439.238   22.315  439.238   22.315  581.163   14.845  581.163   14.845 -0.000000 0.000000 
1 1 1   -4    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    0   29 o  112.833   35.092   20.848   8.9869   20.848   8.9869   20.848   8.9869  112.833   35.092  112.833   35.092 -0.000000 0.000000 
1 1 1   -4    0   30 f  440.075   15.444  252.752   17.555  252.752   17.555  252.752   17.555  440.075   15.444  440.075   15.444 0.000000 0.000000 
1 1 1   -4    0   31 o  159.479   31.085   36.985   11.443   36.985   11.443   36.985   11.443  159.479   31.085  159.479   31.085 0.000000 0.000000 
1 1 1   -4    0   32 o  126.476   33.438   25.057   9.4642   25.057   9.4642   25.057   9.4642  126.476   33.438  126.476   33.438 0.000000 0.000000 
1 1 1   -4    0   33 o  579.129   15.089  438.560   22.600  438.560   22.600  438.560   22.600  579.129   15.089  579.129   15.089 0.000000 0.000000 
1 1 1   -4    0   34 o   32.089   22.983 -13.6323   8.8864 -13.6323   8.8864 -13.6323   8.8864   32.089   22.983   32.089   22.983 0.000000 0.000000 
1 1 1   -4    0   35 o   89.124   39.270   15.617   9.5097   15.617   9.5097   15.617   9.5097   89.124   39.270   89.124   39.270 -0.000000 0.000000 
1 1 1   -4    0   36 o   71.647   39.403   10.382   10.568   10.382   10.568   10.382   10.568   71.647   39.403   71.647   39.403 0.000000 0.000000 
1 1 1   -4    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    0   38 o  218.922   20.636   65.703   11.463   65.703   11.463   65.703   11.463  218.922   20.636  218.922   20.636 0.000000 0.000000 
1 1 1   -4    0   39 o  351.363   16.491  164.995   14.934  164.995   14.934  164.995   14.934  351.363   16.491  351.363   16.491 -0.000000 0.000000 
1 1 1   -4    0   40 o   97.247   42.059   20.028   10.917   20.028   10.917   20.028   10.917   97.247   42.059   97.247   42.059 0.000000 0.000000 
1 1 1   -4    0   41 o   88.851   40.900   17.501   10.332   17.501   10.332   17.501   10.332   88.851   40.900   88.851   40.900 -0.000000 0.000000 
1 1 1   -4    0   42 o   37.998   26.704  -8.5146   10.155  -8.5146   10.155  -8.5146   10.155   37.998   26.704   37.998   26.704 0.000000 0.000000 
1 1 1   -4    0   43 o   89.715   42.872   19.469   11.433   19.469   11.433   19.469   11.433   89.715   42.872   89.715   42.872 0.000000 0.000000 
1 1 1   -4    0   44 o  117.011   40.581   27.727   11.099   27.727   11.099   27.727   11.099  117.011   40.581  117.011   40.581 0.000000 0.000000 
1 1 1   -4    0   45 o   52.099   34.610   3.1510   12.450   3.1510   12.450   3.1510   12.450   52.099   34.610   52.099   34.610 -0.000000 0.000000 
1 1 1   -4    0   46 o   79.974   49.767   27.190   20.826   27.190   20.826   27.190   20.826   79.974   49.767   79.974   49.767 -0.000000 0.000000 
1 1 1   -4    0   47 o   87.207   45.148   24.394   13.154   24.394   13.154   24.394   13.154   87.207   45.148   87.207   45.148 -0.000000 0.000000 
1 1 1   -4    0   48 o   65.533   37.532   13.734   10.084   13.734   10.084   13.734   10.084   65.533   37.532   65.533   37.532 0.000000 0.000000 
1 1 1   -4    0   49 o   34.778   25.193 -13.3060   12.174 -13.3060   12.174 -13.3060   12.174   34.778   25.193   34.778   25.193 0.000000 0.000000 
1 1 1   -4    0   50 o   49.355   33.858   7.7409   13.929   7.7409   13.929   7.7409   13.929   49.355   33.858   49.355   33.858 0.000000 0.000000 
1 1 1   -4    1    1 o  549.674   9.8013  391.560   13.955  403.200   24.608  386.041   16.944  557.435   17.042  545.703   11.987 11.73279 20.83541 
1 1 1   -4    1    2 o  1009.09   13.194  1320.29   34.488  1367.00   61.515  1298.88   41.649  1025.58   23.156  1000.60   16.069 24.98315 28.18517 
1 1 1   -4    1    3 o  1423.27   14.624  2627.26   53.914  2627.53   76.262  2626.99   76.230  1422.35   20.699  1422.20   20.692 0.1439209 29.26829 
1 1 1   -4    1    4 o  1491.78   15.184  2886.64   58.675  2891.30   83.158  2882.01   82.801  1491.84   21.520  1489.45   21.462 2.386230 30.39220 
1 1 1   -4    1    5 o  279.978   7.8359  101.566   5.6828  101.173   8.0627  101.955   8.0109  279.377   11.141  280.457   11.027 -1.079865 15.67584 
1 1 1   -4    1    6 o  127.287   9.4347   21.112   3.0886   20.426   4.3852   21.788   4.3508  124.739   13.803  128.952   13.212 -4.212784 19.10702 
1 1 1   -4    1    7 o  191.334   8.4629   47.438   4.1943   48.408   5.9438   46.476   5.9195  192.860   11.957  188.942   12.160 3.917953 17.05359 
1 1 1   -4    1    8 o  947.269   12.896  1163.63   31.642  1101.00   52.319  1199.75   39.732  920.323   21.947  961.538   15.952 -41.21448 27.13164 
1 1 1   -4    1    9 o   97.068   15.800   12.543   3.8360   16.610   7.2382   10.955   4.5235  110.749   25.724   90.069   19.917 20.67981 32.53320 
1 1 1   -4    1   10 o  912.222   10.967  1078.93   25.914  1081.49   36.754  1076.40   36.542  912.803   15.545  910.661   15.491 2.142029 21.94572 
1 1 1   -4    1   11 o  160.799   10.063   33.654   4.1702   32.983   6.0157   34.274   5.7860  158.718   14.803  161.919   13.931 -3.200928 20.32726 
1 1 1   -4    1   12 o  326.523   8.5064  138.209   7.1946  137.773   10.314  138.622   10.041  325.852   12.220  326.872   11.859 -1.019989 17.02802 
1 1 1   -4    1   13 o  556.123   9.0607  401.090   13.052  411.752   18.813  391.194   18.124  563.082   12.898  548.862   12.748 14.21942 18.13480 
1 1 1   -4    1   14 f  353.350   8.7663  161.987   8.0237  161.957   11.562  162.014   11.144  352.991   12.646  353.098   12.184 -0.1072693 17.55996 
1 1 1   -4    1   15 o  232.613   9.8528   70.268   5.9367   72.088   8.5914   68.604   8.2130  234.848   14.190  229.124   13.904 5.723282 19.86615 
1 1 1   -4    1   16 o  193.179   10.572   48.627   5.2700   51.172   7.3600   45.948   7.5493  197.677   14.474  187.063   15.726 10.61363 21.37321 
1 1 1   -4    1   17 f  652.277   9.7623  552.223   16.494  554.756   23.484  549.756   23.172  653.058   13.883  650.133   13.760 2.924805 19.54643 
1 1 1   -4    1   18 o  540.180   13.292  379.034   18.599  374.800   26.102  383.400   26.508  536.367   18.787  542.473   18.865 -6.105713 26.62410 
1 1 1   -4    1   19 o  1091.49   14.410  1546.91   40.741  1572.00   72.031  1535.11   49.402  1097.40   25.340  1086.65   17.551 10.74097 30.82460 
1 1 1   -4    1   20 o  490.427   9.3849  311.786   11.922  313.612   17.037  310.033   16.690  491.635   13.378  488.835   13.180 2.800903 18.78017 
1 1 1   -4    1   21 o  472.325   9.8064  289.196   11.998  285.680   17.166  292.555   16.776  469.218   14.123  474.860   13.638 -5.642700 19.63362 
1 1 1   -4    1   22 o  975.294   12.063  1233.61   30.475  1216.44   42.771  1251.32   43.434  967.826   17.061  981.604   17.082 -13.77771 24.14278 
1 1 1   -4    1   23 o  943.890   11.838  1155.48   28.944  1161.84   41.157  1149.26   40.713  945.821   16.799  940.698   16.708 5.122742 23.69330 
1 1 1   -4    1   24 o  1280.02   13.975  2126.59   46.336  2078.16   64.190  2179.28   66.957  1264.05   19.604  1294.33   19.971 -30.28552 27.98513 
1 1 1   -4    1   25 o  840.852   11.151  917.120   24.288  884.988   33.817  951.351   34.904  825.350   15.818  855.748   15.746 -30.39795 22.31946 
1 1 1   -4    1   26 o  852.509   11.355  942.978   25.076  909.521   34.800  979.109   36.164  836.495   16.061  867.901   16.086 -31.40570 22.73148 
1 1 1   -4    1   27 o  482.368   10.418  301.877   13.016  297.545   18.599  306.036   18.223  478.448   15.007  485.285   14.497 -6.836853 20.86564 
1 1 1   -4    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    1   29 o  430.306   10.798  240.421   12.036  237.197   17.356  243.408   16.705  426.812   15.699  432.477   14.912 -5.664337 21.65210 
1 1 1   -4    1   30 o  253.298   13.501   83.724   8.8262   78.363   12.922   88.413   12.084  243.784   20.658  259.558   18.086 -15.77438 27.45654 
1 1 1   -4    1   31 o  172.344   18.098   39.283   7.9589   44.307   11.181   34.123   11.332  181.725   24.367  157.972   28.752 23.75281 37.68807 
1 1 1   -4    1   32 o  330.250   11.279  141.972   9.6482  148.762   13.968  135.776   13.343  337.198   15.992  322.145   15.990 15.05368 22.61453 
1 1 1   -4    1   33 o  431.616   10.932  242.684   12.222  244.534   17.426  240.893   17.146  431.970   15.574  428.786   15.437 3.183319 21.92866 
1 1 1   -4    1   34 o   78.196   27.145   7.5707   6.7210   8.8368   9.8757   6.4783   9.1729   88.152   32.621   80.911   31.105 7.240379 45.07394 
1 1 1   -4    1   35 o  205.125   14.894   55.576   7.8597   48.570   10.576   64.218   11.746  189.499   21.952  218.574   21.006 -29.07520 30.38339 
1 1 1   -4    1   36 o   64.397   26.669   2.0520   7.2724   6.6915   9.8557  -3.4934   10.775   82.340   32.078   66.886   30.001 15.45450 43.92094 
1 1 1   -4    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    1   38 o   68.417   26.925   4.3383   7.0018   12.562   10.768  -1.6861   9.2161   96.373   34.286   63.533   28.168 32.83983 44.37294 
1 1 1   -4    1   39 o  158.230   19.456   34.330   7.8061   37.512   10.567   30.508   11.581  162.171   26.037  142.620   32.122 19.55174 41.34863 
1 1 1   -4    1   40 o  240.948   14.112   77.490   8.7692   88.273   12.865   68.132   11.985  253.723   19.730  221.846   21.110 31.87640 28.89506 
1 1 1   -4    1   41 o  232.900   14.563   72.795   8.7414   82.423   12.385   63.239   12.339  244.406   19.732  211.694   22.865 32.71237 30.20205 
1 1 1   -4    1   42 o  195.839   16.492   52.281   8.2881   62.252   12.227   43.804   11.273  209.164   22.944  173.013   25.956 36.15099 34.64300 
1 1 1   -4    1   43 o   81.690   28.093   9.7259   7.1900   8.9382   10.338   10.464   10.006   83.207   32.725   86.210   32.642 -3.002861 46.22174 
1 1 1   -4    1   44 o  120.623   28.236   22.754   8.6663   28.555   12.509   17.398   12.018  128.604   36.082  101.568   36.212 27.03552 51.11962 
1 1 1   -4    1   45 f   73.543   32.158   3.7221   11.631   27.110   16.325 -20.3900   16.575  116.240   42.111   61.811   30.319 54.42950 51.88973 
1 1 1   -4    1   46 o   99.854   35.594   18.262   11.611   25.420   16.193   10.690   16.656  110.155   41.569   87.573   38.382 22.58263 56.57888 
1 1 1   -4    1   47 o  120.092   28.633   24.051   8.7815   26.802   11.684   20.478   13.313  119.188   35.324  101.173   37.788 18.01511 51.72764 
1 1 1   -4    1   48 o  146.262   27.169   35.079   9.9144   38.520   14.040   31.657   14.002  138.291   38.016  121.961   39.123 16.33031 54.55082 
1 1 1   -4    1   49 o   76.473   29.756   9.8866   8.4726   12.586   13.174   7.9825   11.064   82.551   35.139   74.212   31.910 8.338173 47.46574 
1 1 1   -4    1   50 o   54.314   24.916  -0.5448   7.9608  -3.0939   10.262   3.3073   12.615   56.526   26.700   67.462   31.101 -10.93536 40.98954 
1 1 1   -4    2    1 o  1026.11   11.546  1364.86   30.690  1363.70   43.391  1366.01   43.412  1025.23   16.339  1026.10   16.333 -0.8674316 23.10278 
1 1 1   -4    2    2 o  488.475   9.5508  309.218   12.085  312.800   21.261  307.508   14.688  490.994   16.717  487.052   11.642 3.941559 20.37152 
1 1 1   -4    2    3 o  716.536   10.990  665.491   20.398  691.200   36.290  653.619   24.662  729.648   19.201  709.977   13.410 19.67090 23.42024 
1 1 1   -4    2    4 o   35.131   13.263   1.1443   1.6489  -1.6831   2.3844   3.7356   2.2827   29.929   13.695   53.216   15.570 -23.28677 20.73607 
1 1 1   -4    2    5 o  343.765   7.9402  153.120   7.0704  150.189   9.9755  156.078   10.023  340.384   11.314  346.998   11.151 -6.613556 15.88542 
1 1 1   -4    2    6 o  443.087   8.2566  254.394   9.4764  250.937   13.333  257.923   13.471  439.960   11.700  446.044   11.659 -6.084259 16.51735 
1 1 1   -4    2    7 o  457.543   8.3717  271.272   9.9220  275.304   14.113  267.332   13.952  460.812   11.824  454.091   11.861 6.721741 16.74785 
1 1 1   -4    2    8 o  465.863   16.815  281.700   20.292  281.700   20.292   0.0000   0.0000  465.863   16.815  ?   ?  0.000000 16.81541 
1 1 1   -4    2    9 o  117.161   14.167   18.067   4.2121   19.210   7.9081   17.614   4.9768  119.136   26.327  115.221   17.202 3.914833 31.44876 
1 1 1   -4    2   10 o  374.387   8.4314  181.655   8.1765  178.930   11.535  184.407   11.592  371.443   11.989  377.090   11.867 -5.646942 16.86919 
1 1 1   -4    2   11 o  198.266   9.5601   50.961   4.9097   51.307   6.9649   50.620   6.9221  198.371   13.638  197.032   13.647 1.338913 19.29300 
1 1 1   -4    2   12 o  502.826   8.8485  327.792   11.525  327.827   16.360  327.757   16.238  502.592   12.567  502.546   12.474 0.4620361E-01 17.70647 
1 1 1   -4    2   13 o  579.767   9.1864  435.966   13.796  434.514   19.455  437.435   19.566  578.385   12.986  580.322   13.016 -1.936951 18.38611 
1 1 1   -4    2   14 o  683.483   9.7121  606.364   17.195  603.585   24.153  609.220   24.484  681.176   13.689  684.320   13.813 -3.144836 19.44649 
1 1 1   -4    2   15 o  344.544   8.8506  154.088   7.8989  157.960   11.329  150.424   11.019  348.459   12.551  340.050   12.510 8.408844 17.72087 
1 1 1   -4    2   16 f  224.972   10.066   65.732   5.8661   70.769   8.2379   60.551   8.3553  232.757   13.724  215.033   15.096 17.72336 20.40219 
1 1 1   -4    2   17 o  318.773   9.3782  131.861   7.7437  134.908   11.102  128.973   10.806  322.123   13.306  314.963   13.245 7.160400 18.77460 
1 1 1   -4    2   18 o  316.507   17.724  130.800   14.473  130.800   14.473   0.0000   0.0000  316.507   17.724  ?   ?  0.000000 17.72433 
1 1 1   -4    2   19 o  212.871   11.511   58.952   6.3233   58.961   9.1188   58.945   8.7761  212.360   16.712  212.406   16.070 -0.4669189E-01 23.18494 
1 1 1   -4    2   20 o   42.012   19.209  -3.2279   4.6787  -7.8786   6.7560   1.0580   6.4856   45.770   21.633   60.431   25.119 -14.66160 33.15044 
1 1 1   -4    2   21 o  984.376   11.914  1256.66   30.380  1247.61   42.920  1265.75   43.007  980.166   16.905  987.279   16.817 -7.113037 23.84496 
1 1 1   -4    2   22 o  748.886   10.957  727.177   21.254  740.017   30.400  714.899   29.727  755.040   15.543  742.124   15.464 12.91583 21.92562 
1 1 1   -4    2   23 o  318.017   11.713  131.165   9.6487  126.151   13.792  135.970   13.503  311.165   17.178  323.592   16.109 -12.42734 23.55011 
1 1 1   -4    2   24 o  290.557   11.237  109.495   8.4570  104.926   12.658  113.178   11.366  283.633   17.312  294.870   14.929 -11.23669 22.86036 
1 1 1   -4    2   25 o  430.057   10.503  239.868   11.700  240.956   16.705  238.820   16.393  430.724   14.972  428.828   14.758 1.896362 21.02322 
1 1 1   -4    2   26 o  546.749   10.226  387.739   14.483  391.450   20.987  384.366   20.011  548.918   14.761  543.991   14.201 4.927307 20.48306 
1 1 1   -4    2   27 o  176.033   16.435   40.656   7.4073   34.207   11.475   45.264   9.6989  159.064   28.914  185.196   20.565 -26.13199 35.48212 
1 1 1   -4    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    2   29 o  369.694   11.496  177.528   11.008  179.301   16.025  175.944   15.148  370.942   16.678  367.553   15.911 3.388763 23.05027 
1 1 1   -4    2   30 o  196.106   14.776   50.375   7.4508   54.449   11.989   47.811   9.5105  202.313   23.303  190.197   19.584 12.11597 30.43962 
1 1 1   -4    2   31 o   57.154   24.706  -0.6604   6.7034  -1.9498   9.2079   0.7935   9.7779   64.951   28.501   71.797   30.405 -6.846428 41.67447 
1 1 1   -4    2   32 o  243.754   13.416   77.744   8.4380   71.527   12.466   83.002   11.463  232.048   20.965  250.951   17.749 -18.90288 27.46985 
1 1 1   -4    2   33 o  547.428   10.607  390.290   15.041  382.842   21.501  397.429   21.049  540.540   15.356  550.988   14.748 -10.44824 21.29154 
1 1 1   -4    2   34 o   46.262   21.703  -6.4631   6.5789   2.6115   9.8110 -13.8776   8.8683   74.408   30.909   47.986   23.229 26.42216 38.66450 
1 1 1   -4    2   35 o  308.163   12.217  124.228   9.7524  120.113   13.495  128.725   14.109  301.020   17.381  311.586   17.553 -10.56641 24.70245 
1 1 1   -4    2   36 o  242.815   13.499   77.659   8.4566   66.804   11.213   91.975   12.877  223.057   19.607  262.200   19.092 -39.14343 27.36621 
1 1 1   -4    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    2   38 o  240.832   14.658   77.061   9.1003   74.482   12.926   79.596   12.814  233.343   21.632  241.831   20.654 -8.488754 29.90862 
1 1 1   -4    2   39 o  290.971   12.949  111.887   9.7600  116.991   14.185  107.297   13.450  293.830   18.735  281.470   18.552 12.36035 26.36572 
1 1 1   -4    2   40 o   89.297   27.812   11.593   7.1235   23.193   10.323   1.0484   9.8425  123.054   32.063   68.977   29.877 54.07726 43.82553 
1 1 1   -4    2   41 o  221.524   21.989   68.824   12.451   0.0000   0.0000   68.824   12.451  ?   ?   221.524   21.989 0.000000 21.98919 
1 1 1   -4    2   42 o  167.296   19.178   38.930   8.1608   38.837   12.190   39.005   10.986  159.135   30.685  162.226   27.099 -3.090515 40.93843 
1 1 1   -4    2   43 o  106.298   28.431   17.505   7.9808   14.808   10.879   20.647   11.743   96.974   34.467  111.205   35.844 -14.23118 49.72709 
1 1 1   -4    2   44 o  127.840   24.232   24.400   7.7305   10.962   10.928   37.859   10.937   86.854   33.794  156.781   27.956 -69.92744 43.85840 
1 1 1   -4    2   45 o  113.448   33.719   22.340   10.635   26.150   13.884   16.930   16.543  117.364   39.044   98.296   40.417 19.06786 56.19630 
1 1 1   -4    2   46 o  120.282   39.835   29.137   14.458   3.3410   20.650   53.940   20.249   83.504   38.938  155.497   46.598 -71.99355 60.72476 
1 1 1   -4    2   47 o  104.836   29.748   18.894   8.4528   24.183   13.049   15.070   11.095  109.412   37.834   91.069   34.398 18.34294 51.13350 
1 1 1   -4    2   48 o   84.482   31.195   12.571   9.0213   6.8364   12.651   18.504   12.868   75.582   33.281   95.322   36.787 -19.74023 49.60756 
1 1 1   -4    2   49 o   97.466   29.515   17.239   8.0923   16.410   10.225   18.628   13.238   91.134   33.280   92.583   36.835 -1.448402 49.64223 
1 1 1   -4    2   50 o   57.521   26.131   0.8556   8.4827   0.5707   12.668   1.0872   11.421   64.472   30.205   63.195   29.294 1.276573 42.07696 
1 1 1   -4    3    1 o  2656.94   29.130  9194.35  200.478  8719.00  325.726  9484.23  254.364  2574.32   48.847  2694.24   36.448 -119.9124 60.94650 
1 1 1   -4    3    2 o  1238.24   13.181  1988.08   42.278  1969.93   59.301  2006.84   60.290  1231.87   18.584  1243.34   18.720 -11.46851 26.37835 
1 1 1   -4    3    3 o  919.341   12.559  1095.81   29.908  1060.00   50.767  1114.84   37.013  903.245   21.698  927.042   15.414 -23.79742 26.61580 
1 1 1   -4    3    4 o  1123.74   14.266  1637.80   41.527  1679.00   73.675  1618.61   50.274  1136.15   25.034  1116.77   17.379 19.38477 30.47514 
1 1 1   -4    3    5 o  571.106   8.8005  422.657   13.019  420.565   18.391  424.759   18.432  569.535   12.466  572.370   12.432 -2.834656 17.60587 
1 1 1   -4    3    6 o   44.396   15.639   2.2287   2.2350   0.1530   3.2141   4.1721   3.1099   41.405   17.477   57.463   18.438 -16.05783 25.40532 
1 1 1   -4    3    7 o  173.528   10.298   39.168   4.6082   37.660   7.5326   40.070   5.8255  169.441   17.410  175.308   12.920 -5.866592 21.68015 
1 1 1   -4    3    8 o  490.517   17.628  312.400   22.398  312.400   22.398   0.0000   0.0000  490.517   17.628  ?   ?  0.000000 17.62816 
1 1 1   -4    3    9 f  533.806   8.8511  369.302   12.239  374.229   17.505  364.591   17.118  537.168   12.581  530.213   12.464 6.955750 17.70910 
1 1 1   -4    3   10 o  990.753   11.519  1272.94   29.562  1306.49   42.744  1242.19   40.929  1003.05   16.451  978.105   16.154 24.94763 23.05685 
1 1 1   -4    3   11 o  199.248   9.5240   51.470   4.9154   48.824   6.9984   54.047   6.9055  193.433   14.064  203.657   13.160 -10.22424 19.26105 
1 1 1   -4    3   12 o  724.982   9.9019  681.665   18.595  687.966   26.515  675.567   26.084  727.818   14.065  721.244   13.962 6.573975 19.81789 
1 1 1   -4    3   13 o  231.931   9.3815   69.784   5.6362   72.606   8.1499   67.198   7.8028  235.995   13.387  227.015   13.328 8.980667 18.89043 
1 1 1   -4    3   14 o  327.179   9.0248  138.925   7.6485  134.520   10.766  143.415   10.868  321.604   12.923  332.098   12.634 -10.49359 18.07282 
1 1 1   -4    3   15 o  288.653   9.2613  108.179   6.9247  103.202   9.7769  113.189   9.8091  281.556   13.406  294.928   12.840 -13.37186 18.56273 
1 1 1   -4    3   16 o  379.221   9.1743  186.671   9.0119  186.202   12.702  187.146   12.788  378.323   12.962  379.273   13.016 -0.9502258 18.36940 
1 1 1   -4    3   17 o  246.037   10.104   78.564   6.4394   77.596   8.9863   79.586   9.2321  243.850   14.289  246.939   14.497 -3.089935 20.35518 
1 1 1   -4    3   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    3   19 o  706.160   10.141  646.607   18.549  648.390   26.282  644.838   26.183  706.712   14.357  704.776   14.342 1.936340 20.29359 
1 1 1   -4    3   20 o  391.862   9.6584  199.062   9.8037  204.700   14.123  193.818   13.620  397.186   13.727  386.491   13.605 10.69531 19.32651 
1 1 1   -4    3   21 o  959.989   11.784  1195.14   29.304  1225.67   42.370  1167.14   40.573  971.518   16.837  948.081   16.521 23.43640 23.58854 
1 1 1   -4    3   22 o  941.488   11.882  1149.56   28.976  1162.92   41.531  1136.88   40.448  946.293   16.943  935.675   16.689 10.61774 23.78195 
1 1 1   -4    3   23 o  332.650   11.154  143.499   9.6113  137.901   14.300  148.111   12.981  325.382   17.025  337.789   14.835 -12.40729 22.58216 
1 1 1   -4    3   24 o  411.886   10.478  219.997   11.179  206.904   15.883  232.853   15.738  399.155   15.362  423.518   14.346 -24.36383 21.01894 
1 1 1   -4    3   25 o  191.470   14.498   47.880   7.1372   46.444   11.369   48.814   9.1692  187.180   24.001  192.830   18.587 -5.650024 30.35651 
1 1 1   -4    3   26 o  461.609   10.540  276.420   12.602  283.727   18.216  269.711   17.453  467.280   15.049  455.618   14.788 11.66238 21.09937 
1 1 1   -4    3   27 o  606.047   10.441  476.561   16.390  487.069   23.466  466.551   22.904  612.134   14.799  599.108   14.759 13.02631 20.90068 
1 1 1   -4    3   28 o  867.799   23.969  986.100   53.879  986.100   53.879   0.0000   0.0000  867.799   23.969  ?   ?  0.000000 23.96900 
1 1 1   -4    3   29 o  246.769   13.841   79.455   8.8118   89.186   12.542   69.970   12.383  260.734   18.694  230.365   20.982 30.36937 28.10226 
1 1 1   -4    3   30 o  260.264   12.426   88.098   8.3773   94.543   12.341   82.591   11.408  268.443   17.850  250.858   17.670 17.58563 25.11649 
1 1 1   -4    3   31 o  326.133   11.614  138.378   9.8109  143.652   13.784  132.962   13.968  331.614   16.047  318.432   16.995 13.18167 23.37375 
1 1 1   -4    3   32 o  353.469   11.227  162.668   10.280  153.110   14.744  171.708   14.340  341.856   16.651  362.352   15.278 -20.49619 22.59772 
1 1 1   -4    3   33 f  250.946   13.292   82.517   8.6092   75.238   12.594   88.902   11.795  237.617   20.668  259.375   17.661 -21.75902 27.18620 
1 1 1   -4    3   34 o  128.283   22.373   22.531   7.1641   30.514   10.849   16.359   9.5400  147.411   29.443  107.970   31.899 39.44121 43.40987 
1 1 1   -4    3   35 o  337.153   11.980  148.670   10.462  153.620   14.871  143.818   14.722  341.107   16.830  329.440   17.313 11.66684 24.14557 
1 1 1   -4    3   36 o  152.675   18.436   31.402   7.1435   25.941   10.717   35.768   9.5828  134.018   31.418  161.210   23.651 -27.19206 39.32504 
1 1 1   -4    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    3   38 o  287.543   12.363  108.823   9.2085  105.746   12.764  112.163   13.299  280.637   17.648  288.935   17.856 -8.298096 25.10570 
1 1 1   -4    3   39 o  210.141   14.827   59.014   8.0189   51.203   11.216   67.181   11.469  191.527   23.072  221.441   20.218 -29.91428 30.67697 
1 1 1   -4    3   40 o  108.049   27.084   17.273   7.5654   18.375   10.677   16.162   10.722  109.142   34.058  103.260   34.309 5.881256 48.34348 
1 1 1   -4    3   41 o  218.514   15.088   64.323   8.4878   59.016   12.491   68.876   11.569  203.284   24.197  222.784   20.270 -19.49933 31.56464 
1 1 1   -4    3   42 o  177.859   17.633   43.533   8.0165   44.778   11.019   42.132   11.684  175.518   24.938  168.036   27.818 7.481537 37.35928 
1 1 1   -4    3   43 o   77.869   28.849   8.2723   7.7279   15.085   11.097   1.8569   10.768   97.508   34.793   70.835   30.959 26.67265 46.57264 
1 1 1   -4    3   44 o   75.254   29.588   7.1740   8.4483   7.0486   12.060   7.2949   11.838   80.660   33.941   80.744   33.781 -0.8351898E-01 47.88680 
1 1 1   -4    3   45 o   61.716   28.820  -4.8440   11.377  -8.5930   15.572  -0.5512   16.663   67.684   32.236   76.756   35.511 -9.071587 47.96040 
1 1 1   -4    3   46 o   76.107   30.130   8.2425   8.8166   17.559   12.218  -1.8778   12.735   97.462   36.241   67.117   31.049 30.34445 47.72271 
1 1 1   -4    3   47 o   81.527   29.344   10.981   7.9093   18.724   9.8681  -2.9295   13.226  101.202   32.881   65.960   30.889 35.24171 45.11459 
1 1 1   -4    3   48 o  108.148   29.281   20.401   8.4041   18.450   12.405   22.056   11.426   95.345   36.285  105.050   35.423 -9.704666 50.70940 
1 1 1   -4    3   49 o   90.785   31.924   15.876   9.3100   5.5837   13.382   25.530   12.961   72.687   32.943  106.784   37.655 -34.09649 50.03141 
1 1 1   -4    3   50 f   74.379   34.259   8.0815   15.259   32.380   23.025 -10.9500   20.377   95.484   43.249   65.674   32.481 29.80944 54.08737 
1 1 1   -4    4    1 o  937.570   10.985  1139.42   26.679  1096.00   52.085  1154.87   31.064  918.412   21.894  943.772   12.707 -25.35980 25.31419 
1 1 1   -4    4    2 o   91.682   14.162   11.157   3.2549   14.410   6.5006   10.068   3.7603  103.210   24.654   86.544   17.377 16.66599 30.16261 
1 1 1   -4    4    3 f  192.321   8.1714   47.926   4.0707   47.534   5.7750   48.313   5.7390  191.127   11.721  192.706   11.550 -1.578766 16.45607 
1 1 1   -4    4    4 f  341.601   9.4160  151.227   8.3317  138.900   14.786  156.963   10.085  326.662   17.538  347.974   11.189 -21.31207 20.80336 
1 1 1   -4    4    5 f  509.852   9.9668  336.915   13.163  331.200   23.056  339.678   16.032  505.123   17.621  511.852   12.092 -6.728210 21.37132 
1 1 1   -4    4    6 o  662.096   10.762  568.252   18.457  598.900   32.709  553.934   22.357  679.130   18.594  653.558   13.206 25.57172 22.80626 
1 1 1   -4    4    7 o  328.173   11.300  139.625   9.6060  148.300   13.769  131.400   13.408  338.054   15.725  317.767   16.344 20.28702 22.68049 
1 1 1   -4    4    8 o  364.092   12.206  171.905   11.512  158.500   16.164  185.700   16.398  348.894   17.947  378.209   16.738 -29.31427 24.54072 
1 1 1   -4    4    9 o  155.945   10.281   31.665   4.1297   35.094   5.9736   28.525   5.7155  163.842   14.216  147.474   15.179 16.36823 20.79647 
1 1 1   -4    4   10 o   82.629   15.816   9.1627   3.2618   7.8811   4.8138   10.251   4.4353   77.157   22.621   87.053   20.079 -9.895744 30.24657 
1 1 1   -4    4   11 o  159.769   10.495   33.248   4.3192   36.076   6.2418   30.649   5.9829  166.034   14.664  152.851   15.317 13.18307 21.20477 
1 1 1   -4    4   12 o  374.961   8.6635  182.307   8.4146  179.201   11.910  185.402   11.890  371.526   12.376  377.916   12.146 -6.390106 17.34033 
1 1 1   -4    4   13 o  437.261   8.8577  248.045   10.033  259.666   14.492  237.351   13.903  447.013   12.516  427.370   12.559 19.64328 17.73038 
1 1 1   -4    4   14 o   50.752   19.816   2.0440   3.7675   5.2581   5.2379  -1.4011   5.4230   67.642   23.929   49.640   21.825 18.00244 32.38731 
1 1 1   -4    4   15 o  561.717   9.3579  409.689   13.616  398.887   19.076  420.909   19.441  553.548   13.304  568.646   13.199 -15.09766 18.74014 
1 1 1   -4    4   16 o  291.274   9.5238  110.133   7.1856  105.330   10.336  114.626   9.9968  284.472   14.026  296.863   13.000 -12.39053 19.12451 
1 1 1   -4    4   17 o  305.681   9.9511  121.247   7.8793  111.018   11.157  131.426   11.129  291.799   14.809  318.002   13.511 -26.20270 20.04650 
1 1 1   -4    4   18 o  305.001   22.617  122.000   17.741  122.000   17.741   0.0000   0.0000  305.001   22.617  ?   ?  0.000000 22.61708 
1 1 1   -4    4   19 o  317.617   9.7256  130.792   8.0015  127.700   11.478  133.715   11.160  313.659   14.127  320.995   13.422 -7.336548 19.48687 
1 1 1   -4    4   20 o  669.571   10.143  581.235   17.593  595.103   25.354  568.358   24.431  677.161   14.455  661.788   14.252 15.37256 20.29893 
1 1 1   -4    4   21 o  262.651   12.171   89.471   8.2807   86.656   11.649   92.347   11.773  257.699   17.556  266.106   17.171 -8.407013 24.55761 
1 1 1   -4    4   22 o  424.435   11.078  233.591   12.179  229.711   17.445  237.280   17.011  420.624   16.011  427.540   15.360 -6.915802 22.18765 
1 1 1   -4    4   23 o  264.928   12.033   91.041   8.2579   90.035   12.064   91.927   11.327  262.621   17.841  265.523   16.552 -2.902191 24.33593 
1 1 1   -4    4   24 o  217.097   12.210   61.342   6.8386   66.326   9.6587   56.331   9.6839  225.321   16.667  207.359   18.214 17.96191 24.68872 
1 1 1   -4    4   25 o  416.624   10.416  225.129   11.240  223.723   15.751  226.588   16.045  415.030   14.652  417.665   14.831 -2.634430 20.84781 
1 1 1   -4    4   26 o  352.075   10.939  160.831   9.9760  148.938   14.300  172.107   13.924  338.437   16.312  363.940   14.770 -25.50281 22.00527 
1 1 1   -4    4   27 o  351.683   12.237  160.598   11.147  149.400   18.122  167.413   14.138  337.754   20.815  358.817   15.211 -21.06290 25.78111 
1 1 1   -4    4   28 o  223.921   21.448   66.115   12.288   56.830   19.834   71.900   15.655  203.250   39.092  232.568   26.458 -29.31790 47.20411 
1 1 1   -4    4   29 o  260.743   12.498   88.376   8.4409   90.728   11.443   85.569   12.502  263.267   16.869  255.262   19.045 8.004562 25.44106 
1 1 1   -4    4   30 o  240.302   13.071   75.369   8.1055   78.890   11.254   71.574   11.684  245.068   17.851  233.035   19.536 12.03346 26.46361 
1 1 1   -4    4   31 o   55.999   24.388  -1.0433   6.6301  -2.1952   9.0938   0.2639   9.6869   64.038   28.206   70.447   30.062 -6.408882 41.22285 
1 1 1   -4    4   32 o  145.580   19.165   28.341   7.0514   27.293   10.465   29.213   9.5428  140.047   29.766  145.992   26.197 -5.945129 39.65231 
1 1 1   -4    4   33 o  165.004   17.709   36.233   7.4506   46.540   11.119   27.834   10.037  185.482   23.684  141.354   28.398 44.12851 36.97814 
1 1 1   -4    4   34 o  248.858   13.605   81.358   8.7368   77.338   12.634   85.043   12.095  240.466   20.479  252.923   18.591 -12.45740 27.65908 
1 1 1   -4    4   35 o  107.938   26.586   16.431   7.3842   9.9524   10.567   22.614   10.323   91.536   33.770  125.431   31.745 -33.89513 46.34784 
1 1 1   -4    4   36 o  333.476   12.051  145.712   10.410  126.555   14.828  164.334   14.619  307.779   18.687  352.591   16.006 -44.81210 24.60492 
1 1 1   -4    4   37 o   74.625   32.977  -1.3623   12.531 -21.2300   18.539   15.350   17.003   71.695   34.422  109.957   42.328 -38.26133 54.55778 
1 1 1   -4    4   38 o  200.065   15.495   53.490   7.9674   54.418   12.005   52.761   10.651  197.728   23.927  196.047   21.318 1.680984 32.04596 
1 1 1   -4    4   39 o  271.510   13.102   97.555   9.2144  107.514   13.068   87.709   12.994  281.886   17.992  253.236   19.972 28.65039 26.88056 
1 1 1   -4    4   40 o   91.474   26.506   12.277   6.6441   21.687   9.9347   4.6614   8.9368  118.876   31.687   73.197   29.856 45.67817 43.53713 
1 1 1   -4    4   41 o  123.577   22.510   21.889   6.9400   24.990   10.388   19.389   9.3267  126.824   31.707  111.930   31.069 14.89391 44.39193 
1 1 1   -4    4   42 o  171.285   18.528   40.687   8.0896   45.425   11.934   36.659   11.003  174.851   27.236  156.022   28.267 18.82895 39.25380 
1 1 1   -4    4   43 o   58.640   25.813  -0.0304   7.6057  -9.9643   10.246   12.159   11.350   54.398   25.975   90.744   34.667 -36.34642 43.31866 
1 1 1   -4    4   44 o   70.564   28.087   5.8259   7.7004   14.191   11.229  -1.5993   10.580   93.632   34.758   64.321   29.206 29.31113 45.39934 
1 1 1   -4    4   45 o   77.474   31.340   7.9308   9.7524   7.9710   11.772   7.8430   17.412   80.089   33.608   86.159   38.428 -6.070618 51.05080 
1 1 1   -4    4   46 o  100.423   31.272   17.514   9.0064   20.928   12.771   14.135   12.703  103.990   37.303   90.136   36.012 13.85452 51.84909 
1 1 1   -4    4   47 o   92.096   31.414   15.069   8.9868   13.796   12.971   16.244   12.463   87.853   35.917   92.475   36.059 -4.621582 50.89474 
1 1 1   -4    4   48 f  149.379   26.706   36.575   9.9543   34.544   13.886   38.722   14.277  127.952   38.644  136.504   38.636 -8.551590 54.64528 
1 1 1   -4    4   49 o   57.792   26.080   0.7582   8.2833   7.0371   12.884  -3.6664   10.815   73.711   32.952   57.972   27.391 15.73878 42.84986 
1 1 1   -4    5    1 o  1682.56   16.798  3673.93   73.212  3690.89  104.046  3657.29  103.036  1684.73   23.842  1677.08   23.718 7.649414 33.63033 
1 1 1   -4    5    2 o  799.098   10.119  827.634   20.946  825.000   42.142  828.498   24.139  796.931   20.415  799.419   11.657 -2.488525 23.50838 
1 1 1   -4    5    3 o  161.827   9.1757   34.047   3.8304   34.500   8.5581   33.934   4.2834  161.619   20.934  161.477   10.294 0.1418610 23.32861 
1 1 1   -4    5    4 o  632.955   9.1888  519.202   15.066  516.513   21.295  521.896   21.317  631.115   13.026  634.398   12.972 -3.283752 18.38359 
1 1 1   -4    5    5 o  923.939   15.554  1107.67   37.225   0.0000   0.0000  1107.67   37.225  ?   ?   923.939   15.554 0.000000 15.55410 
1 1 1   -4    5    6 o  419.039   16.251  227.900   17.639   0.0000   0.0000  227.900   17.639  ?   ?   419.039   16.251 0.000000 16.25084 
1 1 1   -4    5    7 o  796.685   11.878  823.023   24.512  851.181   30.644  773.000   40.844  809.952   14.606  771.193   20.446 38.75909 25.12725 
1 1 1   -4    5    8 o  363.954   9.8179  171.710   9.2558  153.800   16.242  180.324   11.264  343.589   18.315  372.903   11.661 -29.31384 21.71252 
1 1 1   -4    5    9 o  258.665   8.6898   86.722   5.8224   89.268   8.4975   84.469   7.9937  262.328   12.505  255.192   12.093 7.135406 17.39610 
1 1 1   -4    5   10 o  587.712   9.1860  447.794   13.984  433.912   19.481  462.551   20.086  578.244   13.006  597.023   12.988 -18.77875 18.38110 
1 1 1   -4    5   11 o  694.132   9.7228  624.865   17.482  618.598   24.632  631.225   24.814  690.176   13.778  697.190   13.740 -7.013733 19.45865 
1 1 1   -4    5   12 o  437.308   8.7264  248.033   9.8850  251.175   14.179  245.061   13.788  439.749   12.448  434.384   12.254 5.365570 17.46736 
1 1 1   -4    5   13 o  323.822   8.8927  136.074   7.4591  138.766   10.853  133.663   10.269  326.669   12.826  320.652   12.363 6.016510 17.81462 
1 1 1   -4    5   14 o  166.899   15.915   36.663   6.7968   36.663   6.7968   0.0000   0.0000  166.899   15.915  ?   ?  0.000000 15.91469 
1 1 1   -4    5   15 o  276.698   9.6352   99.419   6.9059   94.271   9.6191  104.894   9.9206  268.712   13.867  283.859   13.492 -15.14771 19.34770 
1 1 1   -4    5   16 f  419.639   9.3024  228.525   10.112  218.867   14.186  238.500   14.417  410.245   13.350  428.296   12.995 -18.05099 18.63008 
1 1 1   -4    5   17 o  421.615   12.585  230.857   13.744  246.400   19.341  215.000   19.535  435.066   17.162  406.225   18.565 28.84116 25.28228 
1 1 1   -4    5   18 o  324.261   14.857  136.567   12.479  128.000   17.070  146.400   18.289  312.761   21.196  334.579   21.213 -21.81802 29.98742 
1 1 1   -4    5   19 o  610.779   9.8078  483.648   15.517  486.823   22.059  480.539   21.831  612.467   13.905  608.506   13.850 3.960876 19.62568 
1 1 1   -4    5   20 o  298.468   11.004  115.511   8.5077  127.821   12.196  103.843   11.874  313.811   15.004  282.327   16.306 31.48367 22.15837 
1 1 1   -4    5   21 o   92.628   26.308   11.465   6.6077   13.132   8.9319   9.4486   9.8207  100.449   31.119   91.813   32.735 8.635963 45.16607 
1 1 1   -4    5   22 o  330.379   11.868  141.563   10.157  160.009   14.949  125.747   13.843  351.018   16.441  310.656   17.271 40.36154 23.84469 
1 1 1   -4    5   23 o  223.943   13.036   65.293   7.5291   61.381   10.174   70.027   11.194  216.538   18.311  231.319   18.846 -14.78162 26.27652 
1 1 1   -4    5   24 o  413.025   10.669  221.246   11.414  214.842   16.223  227.525   16.062  406.697   15.399  418.574   14.815 -11.87686 21.36848 
1 1 1   -4    5   25 o  646.157   10.438  541.560   17.470  517.270   24.600  566.275   24.815  630.991   15.051  660.277   14.509 -29.28601 20.90544 
1 1 1   -4    5   26 o  390.467   10.666  197.815   10.788  188.673   15.242  206.994   15.272  380.966   15.446  399.098   14.773 -18.13171 21.37302 
1 1 1   -4    5   27 o  241.861   19.433   76.756   12.072   87.780   16.181   62.920   18.128  257.824   24.525  215.862   33.508 41.96211 41.52383 
1 1 1   -4    5   28 o  476.862   12.673  295.497   15.653  292.200   28.989  296.854   18.598  471.635   23.805  477.632   15.032 -5.996857 28.15426 
1 1 1   -4    5   29 o  159.417   18.567   33.631   7.5235   26.167   11.107   39.960   10.227  137.789   31.768  172.978   23.428 -35.18883 39.47291 
1 1 1   -4    5   30 o  298.139   11.919  115.610   9.2046  115.874   12.906  115.337   13.132  297.395   16.822  296.634   17.164 0.7610168 24.03293 
1 1 1   -4    5   31 o  371.138   11.027  179.200   10.600  168.535   14.756  190.574   15.238  359.067   15.865  381.924   15.403 -22.85684 22.11238 
1 1 1   -4    5   32 o  308.726   11.802  124.225   9.4382  129.613   13.637  119.271   13.076  313.897   16.833  301.077   16.834 12.81958 23.80647 
1 1 1   -4    5   33 o  225.922   14.189   67.089   8.2612   47.417   11.727   86.469   11.640  186.736   24.862  255.624   17.688 -68.88841 30.51170 
1 1 1   -4    5   34 o  429.188   11.069  240.438   12.306  227.388   17.355  253.632   17.451  415.571   16.123  439.240   15.338 -23.66864 22.25289 
1 1 1   -4    5   35 o  301.743   11.894  119.133   9.2965  116.955   13.983  120.859   12.446  296.396   18.302  302.300   15.950 -5.903503 24.27698 
1 1 1   -4    5   36 f  320.504   13.776  135.145   11.437  149.500   18.936  126.901   14.351  332.397   22.119  308.380   18.044 24.01709 28.54551 
1 1 1   -4    5   37 o  133.650   33.210   26.497   11.446   17.350   19.364   31.410   14.191  115.422   44.964  143.530   37.688 -28.10744 58.66988 
1 1 1   -4    5   38 o  255.578   14.011   86.721   9.2404   85.080   13.333   88.237   12.818  249.511   20.820  254.896   19.563 -5.385498 28.56852 
1 1 1   -4    5   39 o  168.905   17.272   38.739   7.4502   33.877   11.631   42.123   9.7021  150.598   30.852  173.782   22.049 -23.18378 37.92136 
1 1 1   -4    5   40 o  127.044   23.821   23.221   7.5511   25.771   10.719   20.709   10.639  129.221   32.153  115.138   33.593 14.08329 46.50064 
1 1 1   -4    5   41 o  190.873   15.531   49.335   7.6122   57.916   10.764   40.749   10.767  203.602   20.697  167.257   25.672 36.34549 32.97590 
1 1 1   -4    5   42 o   66.229   26.393   4.4298   6.8067   7.0620   9.1501   1.1685   10.185   77.578   30.700   68.729   30.071 8.848663 42.97396 
1 1 1   -4    5   43 o  171.822   19.752   41.696   8.6309   31.077   12.809   50.526   11.681  135.367   35.932  184.956   25.023 -49.58829 43.78677 
1 1 1   -4    5   44 f   93.395   30.572   14.106   8.5251   18.855   12.107   9.4365   12.006  103.737   36.410   84.164   34.499 19.57359 50.15826 
1 1 1   -4    5   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    5   46 o   55.250   25.673  -3.5550   8.8519 -22.6189   12.326   16.749   12.720   49.306   24.534   94.754   36.574 -45.44870 44.04018 
1 1 1   -4    5   47 o   66.801   28.258   4.7461   8.4314   6.2611   11.755   3.1409   12.100   74.362   32.427   70.457   31.683 3.904434 45.33580 
1 1 1   -4    5   48 o   94.162   29.491   15.838   7.9971   7.6754   10.001   30.309   13.317   73.435   30.905  119.009   38.151 -45.57402 49.09822 
1 1 1   -4    5   49 o  104.378   30.587   20.479   8.8031   16.498   11.391   26.384   13.871   88.792   34.515  105.003   38.698 -16.21098 51.85402 
1 1 1   -4    6    1 o  618.894   9.1417  496.392   14.655  492.696   20.654  500.141   20.798  616.391   12.936  621.032   12.929 -4.640259 18.28918 
1 1 1   -4    6    2 o  943.844   11.148  1154.86   27.255  1168.70   38.888  1141.50   38.208  949.028   15.819  937.931   15.727 11.09631 22.30661 
1 1 1   -4    6    3 o  846.283   12.119  928.635   26.566   0.0000   0.0000  928.635   26.566  ?   ?   846.283   12.119 0.000000 12.11869 
1 1 1   -4    6    4 o  973.290   16.010  1229.39   40.362   0.0000   0.0000  1229.39   40.362  ?   ?   973.290   16.010 0.000000 16.00953 
1 1 1   -4    6    5 o  617.734   10.592  494.682   16.949  497.076   20.993  490.200   28.724  619.076   13.091  614.389   18.049 4.687744 22.29684 
1 1 1   -4    6    6 o  191.282   15.546   47.800   7.6361   48.170   11.128   47.470   10.498  191.065   22.944  189.834   21.741 1.231323 31.60795 
1 1 1   -4    6    7 o  669.862   19.441  583.200   33.733  583.200   33.733   0.0000   0.0000  669.862   19.441  ?   ?  0.000000 19.44086 
1 1 1   -4    6    8 o  188.148   9.6905   46.013   4.7067   46.814   6.7471   45.254   6.5690  189.432   13.846  186.246   13.713 3.186188 19.48761 
1 1 1   -4    6    9 o  352.919   8.6959  161.454   7.9495  158.979   11.354  163.833   11.134  350.041   12.522  355.366   12.095 -5.325104 17.40983 
1 1 1   -4    6   10 f  591.141   9.2645  453.118   14.186  456.725   20.194  449.604   19.932  593.137   13.144  588.502   13.076 4.635132 18.54003 
1 1 1   -4    6   11 o  663.390   9.5798  570.874   16.462  572.245   23.400  569.531   23.162  663.655   13.612  662.095   13.505 1.559448 19.17520 
1 1 1   -4    6   12 o  326.641   12.786  138.694   10.818   0.0000   0.0000  138.694   10.818  ?   ?   326.641   12.786 0.000000 12.78584 
1 1 1   -4    6   13 o  470.175   9.0690  286.968   11.045  286.829   15.689  287.105   15.552  469.511   12.900  469.757   12.781 -0.2453308 18.15954 
1 1 1   -4    6   14 o  294.776   9.4092  112.834   7.1845  114.434   10.085  111.185   10.237  296.491   13.132  292.208   13.525 4.283844 18.85133 
1 1 1   -4    6   15 o  330.368   9.2419  141.676   7.9088  138.436   11.259  144.831   11.111  326.173   13.326  333.676   12.856 -7.502197 18.51661 
1 1 1   -4    6   16 o  553.036   9.4770  396.833   13.576  400.029   19.384  393.757   19.020  554.748   13.489  550.403   13.341 4.344666 18.97219 
1 1 1   -4    6   17 o  446.510   18.124  259.500   20.962  259.500   20.962   0.0000   0.0000  446.510   18.124  ?   ?  0.000000 18.12421 
1 1 1   -4    6   18 o  403.311   11.195  210.981   11.695  203.500   21.315  214.204   13.989  394.824   20.916  406.257   13.294 -11.43210 24.78322 
1 1 1   -4    6   19 o  325.871   9.9659  137.674   8.4122  130.241   12.032  144.783   11.766  316.764   14.664  334.032   13.599 -17.26724 19.99862 
1 1 1   -4    6   20 o  411.294   10.269  219.314   10.940  218.091   15.720  220.464   15.236  409.920   14.804  412.175   14.270 -2.255280 20.56230 
1 1 1   -4    6   21 f  866.906   11.556  974.600   25.949  982.632   37.129  966.931   36.281  869.889   16.478  862.945   16.231 6.943970 23.12923 
1 1 1   -4    6   22 o  905.960   11.647  1064.51   27.332  1071.33   38.848  1057.81   38.461  908.218   16.513  902.478   16.453 5.740234 23.31019 
1 1 1   -4    6   23 o  274.748   12.003   97.928   8.5426   98.865   12.648   97.142   11.584  275.214   17.838  272.953   16.461 2.260468 24.27268 
1 1 1   -4    6   24 o  180.499   15.062   42.611   6.9779   49.346   10.878   37.903   9.0956  193.351   22.118  169.283   21.208 24.06842 30.64330 
1 1 1   -4    6   25 o  294.512   17.125  113.191   13.008   0.0000   0.0000  113.191   13.008  ?   ?   294.512   17.125 0.000000 17.12466 
1 1 1   -4    6   26 o  345.979   11.299  155.357   10.126  163.310   14.253  147.251   14.389  354.395   15.527  336.432   16.512 17.96265 22.66543 
1 1 1   -4    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    6   28 o  173.419   18.509   39.679   8.1859   37.990   11.778   41.258   11.386  167.660   28.114  175.408   25.832 -7.748581 38.17998 
1 1 1   -4    6   29 o  482.899   10.606  302.906   13.267  295.763   19.653  308.886   17.982  476.294   15.930  487.067   14.253 -10.77292 21.37513 
1 1 1   -4    6   30 o  318.251   12.089  131.787   9.9655  118.490   14.330  144.241   13.868  300.286   18.513  332.354   16.109 -32.06778 24.54044 
1 1 1   -4    6   31 o  181.039   16.752   43.272   7.7666   52.017   10.986   34.532   10.982  197.422   21.848  158.795   27.706 38.62682 35.28423 
1 1 1   -4    6   32 o  469.223   10.678  286.727   12.979  286.283   18.531  287.155   18.183  467.510   15.302  468.328   14.989 -0.8182983 21.42002 
1 1 1   -4    6   33 o  522.422   14.999  358.072   20.297   0.0000   0.0000  358.072   20.297  ?   ?   522.422   14.999 0.000000 14.99909 
1 1 1   -4    6   34 o  361.014   11.708  170.339   10.949  159.790   15.478  180.905   15.489  347.848   17.178  370.537   16.138 -22.68872 23.56958 
1 1 1   -4    6   35 o  298.635   12.518  116.875   9.6832  107.808   13.890  125.449   13.507  284.083   18.985  307.430   17.028 -23.34659 25.50205 
1 1 1   -4    6   36 o   54.414   25.564  -8.4965   9.1833  -1.1690   11.535 -21.1800   15.176   72.254   31.798   62.936   30.446 9.317291 44.02378 
1 1 1   -4    6   37 o  194.241   20.103   51.328   9.9683   65.170   20.349   46.957   11.434  206.516   39.479  183.521   24.679 22.99464 46.55737 
1 1 1   -4    6   38 o  281.521   12.703  104.603   9.2631  118.321   13.818   93.406   12.484  296.084   18.103  262.743   18.460 33.34076 25.85526 
1 1 1   -4    6   39 o  167.243   18.214   38.239   7.7630   31.211   11.214   44.705   10.757  144.032   30.978  177.755   23.975 -33.72279 39.17136 
1 1 1   -4    6   40 o  182.707   17.060   45.496   7.9803   48.029   11.731   43.314   10.888  182.459   25.519  173.539   24.938 8.920044 35.68050 
1 1 1   -4    6   41 o   93.798   27.255   13.216   7.0163   13.127   10.760   13.282   9.2546   94.146   34.175   93.814   31.879 0.3315125 46.73573 
1 1 1   -4    6   42 o   60.922   25.787   1.9590   7.0283  -0.8558   11.087   3.8500   9.0875   67.878   30.440   70.496   29.553 -2.618164 42.42610 
1 1 1   -4    6   43 o   88.660   29.387   12.171   7.8678   15.155   11.472   9.5225   10.811   96.727   35.262   84.039   33.334 12.68777 48.52354 
1 1 1   -4    6   44 o   54.619   24.610  -1.3640   7.3429   2.1894   10.989  -4.2304   9.8698   70.165   30.950   58.583   27.183 11.58208 41.19250 
1 1 1   -4    6   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    6   46 o  145.759   22.749   32.277   8.3085   35.597   11.596   28.774   11.911  143.180   32.063  123.901   35.366 19.27913 47.73662 
1 1 1   -4    6   47 o  150.246   25.773   36.170   9.6693   29.088   13.248   44.244   14.145  118.395   38.063  152.120   36.386 -33.72519 52.65711 
1 1 1   -4    6   48 o   86.734   30.461   13.725   8.4748   26.028   13.427   5.5790   10.926  108.012   38.301   70.570   31.005 37.44172 49.27716 
1 1 1   -4    6   49 o   62.153   27.775   2.7826   9.1436   7.2562   13.084  -1.4879   12.783   73.138   32.912   63.160   29.823 9.977489 44.41398 
1 1 1   -4    7    1 o  960.831   15.905  1198.16   39.584  1214.00   56.609  1183.00   55.372  966.141   22.620  953.762   22.413 12.37897 31.84353 
1 1 1   -4    7    2 o  886.092   15.234  1018.86   34.966  1029.00   49.805  1009.00   49.102  889.626   21.613  880.953   21.518 8.673035 30.49830 
1 1 1   -4    7    3 o  804.079   11.930  838.380   24.848  836.008   30.460  843.100   42.960  802.695   14.650  805.379   20.593 -2.684143 25.27192 
1 1 1   -4    7    4 o  829.151   10.470  891.259   22.487  898.300   45.669  889.006   25.836  831.186   21.212  827.974   12.046 3.211548 24.39357 
1 1 1   -4    7    5 o  486.443   10.374  306.769   13.072  291.200   22.566  314.631   16.037  473.439   18.401  492.523   12.570 -19.08484 22.28487 
1 1 1   -4    7    6 o  1025.22   16.787  1365.02   44.579  1392.00   64.271  1340.00   61.886  1033.83   24.000  1014.44   23.551 19.38940 33.62554 
1 1 1   -4    7    7 o  729.657   11.509  690.502   21.752  684.300   38.079  693.506   26.502  725.311   20.268  730.999   13.996 -5.687866 24.63095 
1 1 1   -4    7    8 o  165.332   12.324   35.662   5.2400   39.230   11.097   34.638   5.9445  171.510   25.774  162.724   14.247 8.786270 29.44977 
1 1 1   -4    7    9 o  110.687   13.833   16.156   3.8794   14.021   5.7313   17.961   5.2703  101.738   22.358  116.137   18.110 -14.39921 28.77240 
1 1 1   -4    7   10 o  159.185   10.722   33.031   4.3951   34.327   6.1738   31.698   6.2584  161.822   14.896  155.329   15.774 6.493820 21.69547 
1 1 1   -4    7   11 o  202.542   10.385   53.395   5.4303   59.852   7.8650   47.513   7.5066  214.027   14.268  190.438   15.348 23.58887 20.95572 
1 1 1   -4    7   12 o  703.839   9.9580  643.334   18.155  631.254   25.568  655.617   25.783  696.240   14.177  709.588   14.028 -13.34863 19.94406 
1 1 1   -4    7   13 o  309.947   9.2035  124.737   7.3891  115.959   10.491  133.378   10.409  298.398   13.573  320.154   12.551 -21.75565 18.48696 
1 1 1   -4    7   14 o  185.047   11.139   44.665   5.3144   43.759   7.8932   45.416   7.1877  182.311   16.907  186.068   15.042 -3.756989 22.62945 
1 1 1   -4    7   15 o   78.916   21.488   8.4158   4.5108  -0.1944   6.3891   16.973   6.3693   56.921   24.355  111.838   22.761 -54.91706 33.33515 
1 1 1   -4    7   16 f  471.740   12.796  289.055   15.636  299.700   22.321  278.800   21.909  479.675   17.965  462.601   18.284 17.07468 25.63247 
1 1 1   -4    7   17 o  192.129   18.920   48.495   9.2937   42.450   15.663   51.780   11.546  176.534   35.483  197.958   22.942 -21.42337 42.25403 
1 1 1   -4    7   18 o  659.684   10.011  564.246   17.107  562.069   24.201  566.419   24.184  658.046   14.198  660.594   14.133 -2.548157 20.03333 
1 1 1   -4    7   19 f  746.463   10.505  722.464   20.312  708.997   28.714  735.954   28.738  739.050   14.999  752.998   14.734 -13.94812 21.02509 
1 1 1   -4    7   20 o  287.982   11.596  107.552   8.6500   96.888   12.515  117.307   11.969  272.512   17.827  300.211   15.444 -27.69897 23.58669 
1 1 1   -4    7   21 f  420.710   11.234  229.529   12.242  225.364   17.739  233.315   16.916  416.576   16.440  423.930   15.405 -7.354614 22.52924 
1 1 1   -4    7   22 o  931.287   11.779  1124.98   28.414  1152.14   40.769  1099.33   39.624  941.736   16.713  919.918   16.629 21.81854 23.57604 
1 1 1   -4    7   23 o  266.112   12.495   91.891   8.6127   99.471   12.253   84.488   12.109  276.105   17.218  254.214   18.516 21.89133 25.28449 
1 1 1   -4    7   24 o  340.815   11.268  150.698   9.9475  156.089   13.772  144.819   14.383  346.603   15.340  333.761   16.637 12.84186 22.62979 
1 1 1   -4    7   25 o  366.704   11.492  174.514   10.916  162.108   15.290  187.409   15.589  353.031   16.721  379.664   15.851 -26.63272 23.03994 
1 1 1   -4    7   26 o  312.409   16.265  127.330   13.117   0.0000   0.0000  127.330   13.117  ?   ?   312.409   16.265 0.000000 16.26521 
1 1 1   -4    7   27 f   80.760   37.891 -19.6800   20.062 -19.6800   20.062   0.0000   0.0000   80.760   37.891  ?   ?  0.000000 37.89124 
1 1 1   -4    7   28 o   96.238   27.315   12.521   7.1256   12.724   9.5893   12.272   10.648   99.457   32.418   99.847   34.194 -0.3906860 47.11827 
1 1 1   -4    7   29 o  506.306   10.572  333.047   13.865  324.888   20.452  339.985   18.860  499.100   15.820  510.900   14.251 -11.80042 21.29228 
1 1 1   -4    7   30 o  134.078   22.618   24.306   7.5759   24.504   11.007   24.127   10.443  132.643   32.331  131.790   31.093 0.8529205 44.85598 
1 1 1   -4    7   31 o  134.239   21.536   24.358   7.2353   23.425   9.9001   25.427   10.600  129.564   30.077  134.859   30.995 -5.295486 43.18930 
1 1 1   -4    7   32 o  161.843   18.575   34.954   7.6459   20.876   11.003   48.099   10.632  121.487   33.755  189.150   22.118 -67.66271 40.35601 
1 1 1   -4    7   33 o  286.682   17.018  108.688   12.581   0.0000   0.0000  108.688   12.581  ?   ?   286.682   17.018 0.000000 17.01763 
1 1 1   -4    7   34 o  305.823   12.231  122.397   9.6894  127.813   14.351  117.859   13.136  310.196   17.937  298.185   17.078 12.01141 24.76627 
1 1 1   -4    7   35 o   70.079   30.532  -0.4786   10.400   0.0000   0.0000  -0.4786   10.400  ?   ?    70.079   30.532 0.000000 30.53194 
1 1 1   -4    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    7   37 f  149.637   19.797   30.659   7.4850   24.735   9.9918   38.233   11.299  129.746   30.282  163.566   27.654 -33.81984 41.00967 
1 1 1   -4    7   38 o  209.413   14.426   58.518   7.7778   62.369   11.378   55.139   10.657  212.890   20.902  200.088   20.868 12.80171 29.53585 
1 1 1   -4    7   39 o   69.352   26.912   5.1480   6.9164   19.028   9.9141  -8.0129   9.6537  111.297   32.415   55.617   26.155 55.67959 41.65161 
1 1 1   -4    7   40 o  225.903   14.490   68.552   8.4341   62.621   12.303   73.811   11.585  210.314   22.956  231.137   19.532 -20.82285 30.14120 
1 1 1   -4    7   41 o   46.858   21.938  -5.3224   6.6630  -2.1190   10.503  -7.4796   8.6193   64.934   29.329   51.894   24.499 13.03976 38.21497 
1 1 1   -4    7   42 o   68.443   27.465   4.8380   7.4241   15.753   11.719  -2.4790   9.5951   99.121   35.714   61.196   27.797 37.92564 45.25696 
1 1 1   -4    7   43 o   80.552   28.808   9.5693   7.6116   6.6467   11.847   11.624   9.9332   79.711   33.596   87.483   32.648 -7.771965 46.84611 
1 1 1   -4    7   44 f   49.948   23.590  -6.2059   8.0074  -6.8800   12.048  -5.6725   10.717   61.341   28.960   59.080   27.711 2.260384 40.08266 
1 1 1   -4    7   45 o   60.939   29.392 -11.2749   13.884   5.0220   21.671 -22.6200   18.081   85.495   39.874   62.346   30.790 23.14869 50.37801 
1 1 1   -4    7   46 o   95.051   31.924   16.204   9.2794   21.207   13.229   11.357   13.020  102.198   37.768   83.949   35.292 18.24932 51.69071 
1 1 1   -4    7   47 o   66.248   28.536   4.3307   8.8786   1.8077   12.945   6.5717   12.200   69.379   31.807   74.507   32.748 -5.128212 45.65199 
1 1 1   -4    7   48 o   62.564   27.883   2.4715   9.1488  -6.2548   12.628   12.111   13.273   59.561   28.546   81.541   35.003 -21.98032 45.16729 
1 1 1   -4    7   49 o   84.604   29.645   13.626   8.0246   23.223   12.579   7.0402   10.420   99.254   36.799   70.051   30.539 29.20347 47.82083 
1 1 1   -4    8    1 o  569.992   9.1241  421.105   13.471  428.782   19.227  413.701   18.881  574.944   12.910  564.742   12.907 10.20148 18.25522 
1 1 1   -4    8    2 o  648.280   9.5007  544.770   15.954  583.518   23.418  511.208   21.794  670.652   13.480  627.730   13.404 42.92188 19.00979 
1 1 1   -4    8    3 o  686.857   9.7277  611.572   17.307  620.789   24.680  602.655   24.277  691.697   13.775  681.522   13.752 10.17511 19.46437 
1 1 1   -4    8    4 o  413.980   10.321  222.198   11.067  201.000   18.817  233.408   13.684  393.279   18.472  424.192   12.454 -30.91290 22.27808 
1 1 1   -4    8    5 o  368.275   10.149  175.847   9.6815  167.700   17.634  179.363   11.583  358.652   19.050  371.857   12.026 -13.20432 22.52803 
1 1 1   -4    8    6 f  579.367   9.2711  435.165   13.913  424.500   28.097  438.630   16.015  571.329   18.985  581.579   10.631 -10.25067 21.75917 
1 1 1   -4    8    7 o  164.243   11.350   35.161   4.7990   48.790   11.436   32.248   5.2869  192.024   23.481  157.080   13.114 34.94389 26.89508 
1 1 1   -4    8    8 o  597.490   10.813  463.149   16.735  451.500   28.987  468.973   20.495  588.881   19.003  600.987   13.166 -12.10620 23.11821 
1 1 1   -4    8    9 o  437.190   10.388  248.020   11.764  234.100   20.857  254.514   14.246  423.803   18.999  442.697   12.424 -18.89386 22.70044 
1 1 1   -4    8   10 o  457.770   9.0289  271.895   10.706  276.543   15.350  267.493   14.940  461.238   12.848  453.645   12.714 7.592773 18.07518 
1 1 1   -4    8   11 o  246.364   9.7540   78.814   6.2246   78.174   8.9758   79.407   8.6396  244.598   14.228  246.622   13.576 -2.023560 19.66629 
1 1 1   -4    8   12 o  387.363   12.727  195.290   12.770   0.0000   0.0000  195.290   12.770  ?   ?   387.363   12.727 0.000000 12.72726 
1 1 1   -4    8   13 o  316.419   9.4148  130.011   7.7165  125.951   11.140  133.756   10.699  310.969   13.830  320.578   12.884 -9.609192 18.90166 
1 1 1   -4    8   14 o  730.630   10.243  693.184   19.385  686.428   27.579  699.781   27.253  726.067   14.664  733.178   14.350 -7.110840 20.51731 
1 1 1   -4    8   15 o  360.885   10.664  169.051   9.9686  178.500   16.775  163.893   12.394  370.141   17.497  355.102   13.475 15.03903 22.08394 
1 1 1   -4    8   16 o  379.228   13.930  186.799   13.684  186.799   13.684   0.0000   0.0000  379.228   13.930  ?   ?  0.000000 13.93036 
1 1 1   -4    8   17 o  938.889   13.387  1144.13   32.558  1136.00   57.143  1148.04   39.617  933.445   23.633  940.013   16.270 -6.568237 28.69239 
1 1 1   -4    8   18 o  443.033   9.6745  254.459   11.102  261.379   16.003  248.037   15.416  448.792   13.766  437.197   13.612 11.59451 19.35978 
1 1 1   -4    8   19 o  791.294   10.838  811.902   22.214  813.792   31.452  810.019   31.380  791.751   15.336  789.914   15.336 1.837646 21.68861 
1 1 1   -4    8   20 o  535.048   10.741  371.198   14.886  370.200   21.233  372.163   20.876  534.008   15.350  535.446   15.051 -1.437988 21.49799 
1 1 1   -4    8   21 o  804.879   11.121  840.136   23.185  834.410   32.901  845.784   32.677  801.592   15.845  807.066   15.631 -5.473877 22.25773 
1 1 1   -4    8   22 o  296.771   16.233  114.757   12.431   0.0000   0.0000  114.757   12.431  ?   ?   296.771   16.233 0.000000 16.23295 
1 1 1   -4    8   23 o  245.831   12.907   78.654   8.1901   87.825   11.206   68.139   11.999  259.397   16.768  227.837   20.553 31.56010 26.52575 
1 1 1   -4    8   24 o  274.749   12.732   97.997   9.0614  100.108   12.809   95.883   12.820  276.796   17.962  270.809   18.385 5.987549 25.70320 
1 1 1   -4    8   25 o  220.374   14.178   63.365   8.0501   56.360   11.445   70.225   11.325  206.698   21.699  231.394   19.065 -24.69594 28.88474 
1 1 1   -4    8   26 o  286.500   22.773  108.000   16.761  108.000   16.761   0.0000   0.0000  286.500   22.773  ?   ?  0.000000 22.77283 
1 1 1   -4    8   27 o  102.309   32.853   13.582   9.8720   18.330   21.506   12.315   11.112  129.329   48.083  100.840   34.910 28.48930 59.41976 
1 1 1   -4    8   28 o  278.677   18.643  101.913   13.380   0.0000   0.0000  101.913   13.380  ?   ?   278.677   18.643 0.000000 18.64305 
1 1 1   -4    8   29 o  137.298   19.676   25.187   6.7974   26.029   9.4877   24.298   9.7435  137.869   27.531  132.792   29.128 5.077332 40.07951 
1 1 1   -4    8   30 o  220.985   15.049   64.074   8.5628   70.775   12.689   58.472   11.603  230.829   21.468  209.571   21.688 21.25810 30.51626 
1 1 1   -4    8   31 o  299.990   17.129  118.505   13.255  118.505   13.255   0.0000   0.0000  299.990   17.129  ?   ?  0.000000 17.12879 
1 1 1   -4    8   32 o  135.240   21.212   24.817   7.1865   22.706   10.765   26.515   9.6526  126.368   32.652  137.860   27.987 -11.49181 43.00458 
1 1 1   -4    8   33 o  357.701   16.678  168.712   15.453   0.0000   0.0000  168.712   15.453  ?   ?   357.701   16.678 0.000000 16.67803 
1 1 1   -4    8   34 o  362.893   11.566  172.243   10.872  168.754   15.675  175.477   15.092  357.206   16.941  364.670   15.978 -7.464172 23.28686 
1 1 1   -4    8   35 o  241.482   13.347   76.879   8.3165   66.402   11.180   89.861   12.444  222.073   19.637  259.022   18.673 -36.94839 27.09802 
1 1 1   -4    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    8   37 o  162.065   16.963   35.465   7.0154   33.440   11.076   36.821   9.0656  151.541   29.276  162.969   22.041 -11.42795 36.64571 
1 1 1   -4    8   38 f   64.121   26.384   2.7978   7.0559   16.598   9.9607 -11.1019   9.9966  104.959   32.920   53.767   25.669 51.19217 41.74447 
1 1 1   -4    8   39 o  158.404   18.724   34.587   7.5341   33.016   11.217   35.879   10.170  147.945   30.290  157.319   25.854 -9.374420 39.82349 
1 1 1   -4    8   40 o  197.097   16.391   52.866   8.2924   64.031   12.331   43.649   11.204  212.503   22.756  173.018   25.787 39.48418 34.39232 
1 1 1   -4    8   41 o  157.575   19.900   34.902   7.9413   38.113   12.317   32.617   10.389  156.205   31.527  146.624   28.380 9.581467 42.41876 
1 1 1   -4    8   42 o   81.056   28.903   9.5446   7.6566   22.123   11.543  -0.3371   10.231  114.367   35.368   65.840   29.404 48.52723 45.99494 
1 1 1   -4    8   43 o   70.538   27.556   6.1769   7.2884   13.479   11.198   0.8105   9.6001   91.766   34.583   65.129   28.819 26.63654 45.01624 
1 1 1   -4    8   44 f   97.352   34.973   16.725   11.230   14.520   14.797   19.720   17.245   92.961   38.225  101.312   41.416 -8.350937 56.35963 
1 1 1   -4    8   45 o   92.750   35.110   15.585   11.575 -10.0200   19.844   28.790   14.251   71.974   34.818  118.483   39.562 -46.50812 52.70162 
1 1 1   -4    8   46 o   57.400   25.719   0.2557   7.8959   10.819   9.9910 -17.3166   12.886   80.971   32.068   53.320   26.267 27.65105 41.45261 
1 1 1   -4    8   47 o  150.347   34.111   42.251   12.980   0.0000   0.0000   42.251   12.980  ?   ?   150.347   34.111 0.000000 34.11115 
1 1 1   -4    8   48 o  101.178   31.478   19.666   9.1278   21.121   12.435   17.967   13.441   97.355   36.490   90.043   36.659 7.311890 51.72409 
1 1 1   -4    8   49 o   73.254   29.649   9.5907   8.7329   6.5139   12.449   12.571   12.253   70.251   31.812   78.697   33.703 -8.446846 46.34522 
1 1 1   -4    9    1 o  313.158   10.370  127.161   8.4117  125.900   14.819  127.761   10.217  310.661   18.500  313.810   12.569 -3.148438 22.36575 
1 1 1   -4    9    2 o  672.019   13.777  586.132   23.982  594.400   34.385  578.300   33.465  676.011   19.636  666.830   19.374 9.180481 27.58530 
1 1 1   -4    9    3 o  564.748   13.251  413.906   19.384  411.700   27.451  416.100   27.376  562.666   18.835  565.683   18.683 -3.017029 26.52935 
1 1 1   -4    9    4 o  218.120   10.221   61.696   5.7749   63.194   8.1503   60.186   8.1836  220.151   14.371  214.780   14.800 5.370468 20.62924 
1 1 1   -4    9    5 o  168.958   12.087   37.231   5.2549   40.882   7.5540   33.807   7.3148  176.568   16.715  160.245   17.930 16.32292 24.51288 
1 1 1   -4    9    6 o  150.015   11.965   29.392   4.6109   33.570   11.227   28.544   5.0571  157.727   28.529  147.666   13.366 10.06064 31.50508 
1 1 1   -4    9    7 o  369.682   9.1595  177.245   8.7710  160.800   18.037  182.338   10.038  350.660   19.940  374.885   10.337 -24.22516 22.46008 
1 1 1   -4    9    8 o  287.347   9.5484  107.129   7.1070  101.900   15.594  108.500   7.9845  278.376   21.799  289.117   10.662 -10.74084 24.26703 
1 1 1   -4    9    9 o  203.439   12.467   54.002   6.5378   38.810   14.031   58.215   7.3889  168.112   33.398  211.113   13.584 -43.00087 36.05527 
1 1 1   -4    9   10 o   71.475   23.068   6.5360   4.8624   8.4310   11.755   6.1449   5.3406   92.831   35.324   71.047   24.217 21.78446 42.82822 
1 1 1   -4    9   11 o  148.930   13.010   29.093   4.9684   25.466   7.0013   32.773   7.0517  137.960   20.189  157.370   17.600 -19.41048 26.78391 
1 1 1   -4    9   12 o  293.991   9.7112  112.259   7.3953  107.303   10.543  117.060   10.376  286.967   14.183  299.832   13.360 -12.86493 19.48495 
1 1 1   -4    9   13 o  195.046   11.062   49.588   5.5657   49.579   8.3538   49.595   7.4634  194.227   16.769  194.553   14.924 -0.3252411 22.44783 
1 1 1   -4    9   14 o  763.973   10.529  757.647   20.835  759.867   29.820  755.530   29.123  764.181   15.065  762.069   14.753 2.111755 21.08581 
1 1 1   -4    9   15 o  598.488   13.362  465.233   20.715  460.100   29.248  470.400   29.344  594.313   18.999  600.955   18.851 -6.642334 26.76388 
1 1 1   -4    9   16 o   63.804   27.328  -0.3769   8.0582 -19.6600   15.026   7.4070   9.5471   66.149   31.550   85.936   32.020 -19.78622 44.95161 
1 1 1   -4    9   17 o  129.838   16.611   22.254   5.4584   26.318   7.8786   18.503   7.5693  140.448   22.409  116.850   25.706 23.59824 34.10255 
1 1 1   -4    9   18 o  378.954   10.237  186.191   10.048  190.635   14.345  181.911   14.080  383.246   14.450  374.370   14.519 8.876068 20.48478 
1 1 1   -4    9   19 o  504.547   10.473  330.069   13.687  321.422   19.484  338.493   19.232  497.597   15.117  510.684   14.539 -13.08679 20.97340 
1 1 1   -4    9   20 o  461.416   10.854  276.084   12.973  283.801   19.040  269.397   17.724  467.505   15.723  455.538   15.021 11.96704 21.74488 
1 1 1   -4    9   21 o  354.373   10.796  162.861   9.9099  163.089   14.276  162.648   13.768  354.370   15.552  353.923   15.018 0.4467773 21.61934 
1 1 1   -4    9   22 f  548.249   9.9611  389.778   14.146  386.333   20.001  393.226   20.010  545.475   14.155  550.331   14.037 -4.856262 19.93526 
1 1 1   -4    9   23 o  582.740   10.306  440.468   15.557  440.636   22.873  440.324   21.221  582.347   15.163  582.271   14.070 0.7653809E-01 20.68557 
1 1 1   -4    9   24 o  461.899   10.420  276.792   12.468  275.959   17.945  277.570   17.334  460.778   15.035  462.181   14.479 -1.402588 20.87360 
1 1 1   -4    9   25 o  187.963   16.086   46.301   7.7566   46.931   11.465   45.769   10.533  187.896   24.114  185.865   22.324 2.031052 32.86074 
1 1 1   -4    9   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4    9   27 o  472.848   11.046  290.411   13.530  284.993   19.145  295.817   19.123  467.715   15.802  476.568   15.491 -8.853363 22.12898 
1 1 1   -4    9   28 o  161.130   19.877   34.493   8.1202   31.920   11.373   37.169   11.598  152.630   29.835  165.452   28.065 -12.82259 40.96062 
1 1 1   -4    9   29 o  143.296   20.044   27.455   7.2362   27.728   9.6760   27.109   10.900  142.317   27.240  139.855   30.911 2.462555 41.20095 
1 1 1   -4    9   30 o  141.276   21.480   26.907   7.6131   38.956   11.393   17.187   10.233  168.998   26.931  111.623   33.052 57.37471 42.63485 
1 1 1   -4    9   31 o  431.795   15.379  244.376   17.201   0.0000   0.0000  244.376   17.201  ?   ?   431.795   15.379 0.000000 15.37915 
1 1 1   -4    9   32 o  114.980   25.909   18.467   7.5315   24.503   10.660   12.452   10.642  131.165   31.723   98.268   34.156 32.89696 46.61508 
1 1 1   -4    9   33 o   81.919   27.078   8.8408   6.6818   9.1900   9.8930   8.5479   9.0609   88.520   32.671   85.311   31.302 3.209251 45.24594 
1 1 1   -4    9   34 o  170.423   17.607   38.908   7.6605   41.221   10.123   35.809   11.718  173.479   23.102  158.819   29.573 14.66055 37.52658 
1 1 1   -4    9   35 o  345.527   12.861  156.924   11.511  184.800   19.426  141.840   14.290  370.432   20.323  326.335   16.964 44.09784 26.47289 
1 1 1   -4    9   36 o   58.960   27.511  -7.9271   10.336   1.1060   20.043 -11.2000   12.064   94.115   41.642   61.273   28.944 32.84187 50.71331 
1 1 1   -4    9   37 o   62.441   26.371   1.5402   7.3242   6.2296   10.549  -2.8238   10.177   81.013   32.657   64.520   29.031 16.49361 43.69533 
1 1 1   -4    9   38 o  115.795   24.409   19.380   7.0905   12.357   11.312   23.925   9.1002   94.439   34.920  126.924   28.390 -32.48449 45.00448 
1 1 1   -4    9   39 o   92.174   28.085   12.647   7.3107  -1.6434   10.206   27.708   10.477   65.263   29.241  134.503   30.744 -69.23987 42.42884 
1 1 1   -4    9   40 o   50.846   22.914  -2.0305   6.3687   3.6520   9.2100  -7.2377   8.8163   70.868   29.732   52.924   24.921 17.94409 38.79504 
1 1 1   -4    9   41 o  137.451   22.784   27.401   7.8279   29.953   11.541   25.226   10.653  136.228   33.044  125.064   32.565 11.16383 46.39343 
1 1 1   -4    9   42 o   56.869   25.358  -0.7994   7.5768   0.1188   11.204  -1.5732   10.286   68.602   30.694   63.907   28.930 4.695049 42.17894 
1 1 1   -4    9   43 o  117.351   28.310   21.992   8.5064   34.996   12.369   10.323   11.717  143.445   33.836   84.944   34.356 58.50076 48.22078 
1 1 1   -4    9   44 o   81.017   33.745   9.0515   11.738   27.430   16.473  -9.9060   16.731  113.572   42.111   67.897   32.625 45.67417 53.27070 
1 1 1   -4    9   45 o  134.631   28.706   30.071   9.7052   34.987   13.979   25.497   13.485  132.512   38.462  111.501   38.465 21.01062 54.39563 
1 1 1   -4    9   46 o   81.141   29.948   11.218   8.3124   16.499   13.006   7.5708   10.808   91.353   36.459   74.767   31.826 16.58576 48.39552 
1 1 1   -4    9   47 o   41.782   20.821 -17.5798   9.0127 -12.0733   12.738 -23.0997   12.754   55.464   27.072   48.794   24.385 6.669693 36.43517 
1 1 1   -4    9   48 o   75.738   30.086   10.171   8.8187   4.1697   13.563   14.566   11.607   69.907   32.235   84.030   34.121 -14.12216 46.94008 
1 1 1   -4    9   49 o   95.683   39.359   26.575   15.695   47.690   23.985   10.760   20.757  104.982   46.035   76.538   36.661 28.44425 58.84876 
1 1 1   -4   10    1 o  541.744   9.2446  380.556   12.973  363.222   17.983  399.366   18.733  528.947   13.125  554.649   13.039 -25.70239 18.50057 
1 1 1   -4   10    2 o  426.947   8.9934  236.355   9.9460  240.871   14.241  232.054   13.897  430.757   12.763  422.806   12.689 7.951538 17.99747 
1 1 1   -4   10    3 o  418.199   9.0579  226.785   9.8121  231.177   14.039  222.591   13.719  421.971   12.844  414.065   12.791 7.906006 18.12692 
1 1 1   -4   10    4 f  753.653   10.258  736.852   20.025  747.448   28.593  726.652   28.053  758.418   14.555  747.805   14.483 10.61298 20.53241 
1 1 1   -4   10    5 o  545.904   13.289  387.151   18.792   0.0000   0.0000  387.151   18.792  ?   ?   545.904   13.289 0.000000 13.28946 
1 1 1   -4   10    6 o  220.447   10.618   63.081   6.0631   56.324   8.4333   70.311   8.7233  207.431   15.815  232.056   14.587 -24.62541 21.51430 
1 1 1   -4   10    7 o  442.663   9.2085  254.285   10.559  246.900   21.687  256.579   12.088  434.748   19.258  444.524   10.498 -9.776093 21.93394 
1 1 1   -4   10    8 o  273.523   9.8258   97.148   6.9617   87.840   14.272  100.054   7.9747  257.954   21.557  277.485   11.095 -19.53125 24.24501 
1 1 1   -4   10    9 o  378.012   9.6119  185.584   9.4116  179.800   20.245  187.179   10.630  369.498   21.242  379.492   10.814 -9.994781 23.83582 
1 1 1   -4   10   10 f  192.026   13.258   48.248   6.5544   28.940   14.759   52.991   7.3153  143.630   38.769  201.154   14.129 -57.52400 41.26344 
1 1 1   -4   10   11 o  254.978   12.579   84.605   8.3081   84.520   17.001   84.632   9.5225  251.504   26.496  254.413   14.510 -2.909119 30.20849 
1 1 1   -4   10   12 o  252.620   10.410   82.888   6.8121   73.784   9.6737   91.843   9.5943  237.387   15.823  265.248   14.014 -27.86111 21.13638 
1 1 1   -4   10   13 f  462.266   9.6035  277.298   11.499  288.891   16.717  266.885   15.843  471.359   13.692  453.076   13.500 18.28339 19.22766 
1 1 1   -4   10   14 o   86.950   23.863   10.194   5.5373   22.630   7.6296  -3.6480   8.0492  129.621   23.593   57.852   25.941 71.76881 35.06507 
1 1 1   -4   10   15 o  415.548   15.174  224.332   16.333  232.700   23.730  216.800   22.515  421.991   21.784  407.342   21.413 14.64880 30.54586 
1 1 1   -4   10   16 o  694.631   10.292  625.682   18.518  639.826   26.833  612.818   25.589  701.991   14.756  687.058   14.379 14.93286 20.60331 
1 1 1   -4   10   17 o  569.349   9.9994  420.277   14.747  422.200   21.079  418.434   20.639  570.338   14.268  567.808   14.032 2.529907 20.01220 
1 1 1   -4   10   18 o  351.452   10.578  160.160   9.6296  160.772   14.052  159.617   13.222  351.896   15.416  350.676   14.556 1.219574 21.20248 
1 1 1   -4   10   19 o  557.359   10.971  402.845   15.838  414.106   23.085  392.828   21.771  564.715   15.781  550.060   15.280 14.65509 21.96641 
1 1 1   -4   10   20 o  316.401   11.648  129.855   9.5466  130.606   14.092  129.217   12.979  316.563   17.250  315.013   15.958 1.550018 23.49948 
1 1 1   -4   10   21 o  278.838   12.363  100.889   8.9296  104.970   12.969   97.211   12.313  283.590   17.745  272.895   17.511 10.69562 24.93013 
1 1 1   -4   10   22 o  688.292   15.017  615.463   26.774   0.0000   0.0000  615.463   26.774  ?   ?   688.292   15.017 0.000000 15.01722 
1 1 1   -4   10   23 o  464.011   15.091  279.821   18.139  279.821   18.139   0.0000   0.0000  464.011   15.091  ?   ?  0.000000 15.09120 
1 1 1   -4   10   24 o  278.777   12.416  100.921   8.9655  109.677   13.387   93.800   12.072  289.660   17.931  267.853   17.496 21.80750 25.05248 
1 1 1   -4   10   25 o  232.688   17.390   70.923   10.406   95.140   14.659   46.330   14.773  269.043   21.207  184.801   32.021 84.24194 38.40716 
1 1 1   -4   10   26 o  292.688   22.006  112.762   16.562  110.500   25.554  114.400   21.748  286.190   35.213  293.105   29.027 -6.915497 45.63475 
1 1 1   -4   10   27 o  175.527   16.629   40.543   7.4707   30.131   9.5940   56.582   11.907  149.224   25.751  206.453   22.637 -57.22902 34.28626 
1 1 1   -4   10   28 o  391.240   16.868  200.000   17.094  200.000   17.094   0.0000   0.0000  391.240   16.868  ?   ?  0.000000 16.86771 
1 1 1   -4   10   29 o   79.491   27.832   7.5649   7.0723   9.3424   9.3895   5.2341   10.752   89.341   31.992   83.170   33.162 6.171242 46.07817 
1 1 1   -4   10   30 o  198.178   15.815   51.773   8.0507   51.818   11.809   51.734   11.004  196.163   23.722  196.523   21.994 -0.3605347 32.34974 
1 1 1   -4   10   31 o  230.857   14.324   70.075   8.5235   69.196   11.711   71.066   12.429  227.775   20.053  230.520   21.048 -2.745758 29.07120 
1 1 1   -4   10   32 o  175.232   17.328   40.921   7.7623   35.215   11.551   45.620   10.482  158.383   29.231  183.420   22.536 -25.03709 36.91007 
1 1 1   -4   10   33 o   44.871   20.973  -5.5139   6.0472  -0.1687   7.8529 -13.3019   9.4789   61.956   26.762   50.718   24.418 11.23811 36.22721 
1 1 1   -4   10   34 o  225.164   14.980   67.182   8.6874   78.315   12.080   55.254   12.503  241.358   19.488  200.229   24.626 41.12964 31.40377 
1 1 1   -4   10   35 o  143.280   37.008   31.160   13.832   31.160   13.832   0.0000   0.0000  143.280   37.008  ?   ?  0.000000 37.00788 
1 1 1   -4   10   36 o   84.665   28.463   9.8263   7.3766   6.5519   10.946   12.550   9.9840   82.912   33.321   95.050   33.080 -12.13799 46.95335 
1 1 1   -4   10   37 o  175.417   17.890   41.884   8.0149   48.968   12.078   36.310   10.714  185.224   25.881  158.424   27.080 26.80019 37.45916 
1 1 1   -4   10   38 f  136.269   22.228   26.325   7.5754   22.989   10.133   30.551   11.406  122.139   31.739  141.084   31.952 -18.94581 45.03661 
1 1 1   -4   10   39 o  145.618   19.536   29.615   7.1831   35.875   10.777   24.612   9.6354  155.175   27.835  126.683   29.852 28.49288 40.81580 
1 1 1   -4   10   40 o   53.437   23.666  -0.8153   6.4879   8.1398   9.1710  -9.7872   9.1795   80.040   31.010   51.263   24.507 28.77776 39.52475 
1 1 1   -4   10   41 o   95.984   27.649   14.249   7.2484   11.559   9.4588   18.076   11.282   87.834   32.019  104.312   35.200 -16.47736 47.58380 
1 1 1   -4   10   42 o   64.055   26.703   3.3640   7.3591  -2.4384   9.6747   11.331   11.336   60.659   27.691   87.436   34.307 -26.77769 44.08878 
1 1 1   -4   10   43 o  114.967   26.787   20.908   7.8293   26.443   10.796   14.768   11.371  123.840   33.042   93.068   34.892 30.77208 48.05468 
1 1 1   -4   10   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   10   45 o   56.889   25.629  -0.1848   7.9612 -12.4729   10.479   16.592   12.244   50.508   24.631   92.816   35.866 -42.30812 43.50938 
1 1 1   -4   10   46 o   70.762   28.817   7.1664   8.3082   23.324   11.437 -10.8904   12.090  107.410   35.422   55.282   26.845 52.12802 44.44550 
1 1 1   -4   10   47 o   64.734   27.888   4.5965   8.4822  -0.6563   11.131   11.872   13.099   61.898   28.771   80.608   34.692 -18.71036 45.06948 
1 1 1   -4   10   48 o   87.711   29.900   14.884   8.1416   21.376   11.389   8.0981   11.644   97.364   35.188   72.243   31.863 25.12043 47.47080 
1 1 1   -4   11    1 o  243.156   14.480   77.156   9.0786   77.156   9.0786   0.0000   0.0000  243.156   14.480  ?   ?  0.000000 14.47955 
1 1 1   -4   11    2 o  529.591   13.299  364.532   18.244  364.532   18.244   0.0000   0.0000  529.591   13.299  ?   ?  0.000000 13.29917 
1 1 1   -4   11    3 o  668.009   9.8815  579.142   17.098  561.625   23.827  597.739   24.550  657.144   13.998  677.947   13.980 -20.80219 19.78347 
1 1 1   -4   11    4 o  476.202   9.2846  294.283   11.453  302.183   16.464  286.878   15.941  482.066   13.185  469.711   13.102 12.35455 18.58795 
1 1 1   -4   11    5 o   95.735   26.780   12.432   6.9013   12.432   6.9013   0.0000   0.0000   95.735   26.780  ?   ?  0.000000 26.77983 
1 1 1   -4   11    6 o  187.156   12.856   45.788   6.1945   43.574   8.9754   47.802   8.5602  181.468   19.395  190.509   17.544 -9.040527 26.15214 
1 1 1   -4   11    7 o  293.123   22.818  113.700   17.189  113.700   17.189   0.0000   0.0000  293.123   22.818  ?   ?  0.000000 22.81847 
1 1 1   -4   11    8 o  203.159   11.887   53.880   6.2281   69.240   15.043   50.702   6.8421  227.374   26.010  196.826   13.502 30.54834 29.30545 
1 1 1   -4   11    9 o  338.639   9.8187  148.982   8.6127  132.400   17.802  154.049   9.8411  316.602   21.841  344.211   11.037 -27.60898 24.47148 
1 1 1   -4   11   10 o  186.692   12.801   45.571   6.1532   46.310   15.862   45.440   6.6760  183.102   34.714  186.260   13.938 -3.157867 37.40804 
1 1 1   -4   11   11 o  226.530   11.210   66.673   6.5779   47.990   13.904   72.061   7.4663  188.333   29.467  235.111   12.302 -46.77826 31.93220 
1 1 1   -4   11   12 f  250.357   14.759   81.826   9.5290   0.0000   0.0000   81.826   9.5290  ?   ?   250.357   14.759 0.000000 14.75919 
1 1 1   -4   11   13 o  346.471   12.342  155.866   11.077  156.900   15.937  154.900   15.406  346.695   17.807  344.981   17.241 1.714325 24.78526 
1 1 1   -4   11   14 o  590.922   11.727  453.097   17.950  476.529   22.240  409.300   30.405  605.750   14.174  560.496   20.942 45.25409 25.28788 
1 1 1   -4   11   15 o  460.776   11.658  275.418   13.915  232.200   25.379  293.992   16.638  421.440   23.340  475.931   13.496 -54.49103 26.96077 
1 1 1   -4   11   16 o  416.609   10.031  225.036   10.825  217.748   15.409  232.138   15.210  409.561   14.525  422.919   13.884 -13.35837 20.09356 
1 1 1   -4   11   17 o  396.108   13.922  203.627   14.285   0.0000   0.0000  203.627   14.285  ?   ?   396.108   13.922 0.000000 13.92240 
1 1 1   -4   11   18 o  621.152   10.906  500.340   17.547  494.967   24.976  505.577   24.657  617.398   15.617  624.016   15.255 -6.618652 21.83109 
1 1 1   -4   11   19 f  218.614   14.327   62.305   8.0679   59.182   11.958   64.916   10.931  212.052   22.095  222.609   19.142 -10.55679 29.23393 
1 1 1   -4   11   20 o  172.181   16.298   38.863   7.1824   36.767   10.499   40.707   9.8469  166.005   25.209  175.390   22.169 -9.384689 33.57069 
1 1 1   -4   11   21 o  446.078   10.511  258.101   12.145  254.944   17.229  261.219   17.122  442.997   15.015  448.440   14.740 -5.443359 21.04051 
1 1 1   -4   11   22 o  711.177   15.338  657.364   28.256   0.0000   0.0000  657.364   28.256  ?   ?   711.177   15.338 0.000000 15.33840 
1 1 1   -4   11   23 o  367.876   11.194  175.644   10.667  169.903   15.507  180.801   14.696  361.362   16.567  372.905   15.214 -11.54343 22.49306 
1 1 1   -4   11   24 o  447.934   11.967  260.569   13.885  273.500   23.586  253.710   17.177  457.825   19.888  441.657   15.015 16.16846 24.91969 
1 1 1   -4   11   25 o  275.605   38.256  103.200   26.575  103.200   26.575   0.0000   0.0000  275.605   38.256  ?   ?  0.000000 38.25635 
1 1 1   -4   11   26 o  210.136   22.022   58.487   11.809   0.0000   0.0000   58.487   11.809  ?   ?   210.136   22.022 0.000000 22.02160 
1 1 1   -4   11   27 o  364.055   15.208  172.817   14.342  172.817   14.342   0.0000   0.0000  364.055   15.208  ?   ?  0.000000 15.20826 
1 1 1   -4   11   28 o   92.463   28.926   11.347   7.6958   1.5925   10.955   20.850   10.813   76.979   32.368  122.464   33.237 -45.48464 46.39400 
1 1 1   -4   11   29 o  197.431   16.229   51.387   8.2263   47.195   11.150   56.395   12.186  187.324   23.496  205.048   23.361 -17.72412 33.13301 
1 1 1   -4   11   30 o   82.565   27.962   8.6638   7.1198  -4.9186   9.4807   26.231   10.782   60.922   27.657  136.388   31.197 -75.46567 41.69087 
1 1 1   -4   11   31 o  232.727   19.352   72.227   11.560   0.0000   0.0000   72.227   11.560  ?   ?   232.727   19.352 0.000000 19.35160 
1 1 1   -4   11   32 o  179.269   17.704   42.934   8.1136   32.061   11.245   54.740   11.718  150.363   29.925  200.702   22.953 -50.33859 37.71369 
1 1 1   -4   11   33 o  119.193   23.107   19.766   6.8766   18.061   8.7218   22.566   11.180  112.175   29.590  124.228   33.829 -12.05296 44.94412 
1 1 1   -4   11   34 o   47.167   22.052  -5.9205   6.6927   3.2489   9.9364 -13.5350   9.0548   74.824   31.096   48.581   23.506 26.24337 38.98050 
1 1 1   -4   11   35 o  141.066   49.781   32.760   22.656   32.760   22.656   0.0000   0.0000  141.066   49.781  ?   ?  0.000000 49.78123 
1 1 1   -4   11   36 o   90.762   28.097   11.855   7.2828   27.555   10.091  -5.2093   10.521  136.750   29.366   62.415   28.636 74.33460 41.01682 
1 1 1   -4   11   37 o   86.488   27.173   10.804   6.7831   8.7741   8.4910   14.383   11.277   82.146   30.277   99.056   35.103 -16.90990 46.35609 
1 1 1   -4   11   38 o   50.575   22.559  -1.4443   6.0025  -1.3869   8.3000  -1.5072   8.6912   59.510   26.537   60.644   27.091 -1.133621 37.92299 
1 1 1   -4   11   39 f   97.321   28.265   14.442   7.5475   7.9382   11.099   20.036   10.294   82.934   33.474  111.890   33.156 -28.95573 47.11522 
1 1 1   -4   11   40 o   99.730   28.905   15.476   7.9005   12.384   11.173   18.568   11.173   91.373   34.517  106.176   35.012 -14.80293 49.16569 
1 1 1   -4   11   41 o   93.201   28.681   13.639   7.6015   20.066   10.243   5.7607   11.341  109.735   33.201   77.574   32.792 32.16114 46.66475 
1 1 1   -4   11   42 o   51.251   23.782  -4.0431   7.5567   3.3383   10.793 -11.1410   10.584   71.447   31.116   53.451   25.750 17.99551 40.38938 
1 1 1   -4   11   43 o   75.321   29.083   8.1677   8.0460  -6.1118   12.372   18.632   10.592   62.147   29.343  101.850   34.107 -39.70335 44.99194 
1 1 1   -4   11   44 o   84.919   36.232   11.490   14.066   11.270   22.558   11.630   17.993   88.994   41.223   87.162   38.955 1.831444 56.71753 
1 1 1   -4   11   45 o   67.808   28.200   5.6931   8.1805   19.685   12.930  -3.6449   10.563   97.402   37.051   58.657   27.512 38.74591 46.14907 
1 1 1   -4   11   46 o   57.459   26.454  -1.0800   9.0841   6.7811   12.638  -9.4835   13.066   73.940   32.874   58.039   28.119 15.90088 43.25962 
1 1 1   -4   11   47 o   51.331   24.019  -2.9105   7.9695   0.2076   12.571  -5.0058   10.305   64.543   30.190   54.958   26.188 9.585312 39.96598 
1 1 1   -4   11   48 o   75.568   30.462   10.950   9.1785   9.4592   12.842   12.506   13.124   73.540   32.886   77.699   34.062 -4.158653 47.34636 
1 1 1   -4   12    1 o  796.539   10.578  824.369   21.826  845.513   31.379  804.552   30.379  805.377   15.041  785.665   14.927 19.71198 21.19128 
1 1 1   -4   12    2 o  698.698   14.323  636.063   25.922  636.063   25.922   0.0000   0.0000  698.698   14.323  ?   ?  0.000000 14.32293 
1 1 1   -4   12    3 o  468.785   13.401  286.162   16.272   0.0000   0.0000  286.162   16.272  ?   ?   468.785   13.401 0.000000 13.40054 
1 1 1   -4   12    4 o  303.786   9.9743  119.897   7.8487  119.776   11.156  120.015   11.045  303.149   14.206  303.471   14.050 -0.3223877 19.98095 
1 1 1   -4   12    5 o  282.546   10.467  103.763   7.6606  114.071   11.069   94.286   10.613  295.774   14.448  268.363   15.331 27.41064 21.06585 
1 1 1   -4   12    6 o  434.786   9.7403  245.602   10.970  235.842   15.438  255.555   15.590  425.348   14.012  442.854   13.591 -17.50537 19.52033 
1 1 1   -4   12    7 o  227.936   12.304   67.816   7.2374   68.239   10.517   67.436   9.9746  227.651   17.982  226.473   17.130 1.178207 24.83526 
1 1 1   -4   12    8 o  458.090   11.455  272.879   13.592  253.800   23.290  282.733   16.738  439.861   20.441  465.852   13.871 -25.99121 24.70348 
1 1 1   -4   12    9 f  436.430   9.7509  247.337   11.023  234.900   23.575  250.817   12.470  422.627   21.608  439.339   10.958 -16.71194 24.22742 
1 1 1   -4   12   10 o  460.228   9.6433  274.917   11.496  254.100   24.154  281.014   13.072  440.654   21.161  465.170   10.848 -24.51584 23.77960 
1 1 1   -4   12   11 o  203.133   16.225   54.056   8.4662   0.0000   0.0000   54.056   8.4662  ?   ?   203.133   16.225 0.000000 16.22540 
1 1 1   -4   12   12 o  569.151   11.886  420.494   17.524  339.900   30.674  459.540   21.350  510.087   23.215  594.747   13.859 -84.66080 27.03746 
1 1 1   -4   12   13 o  460.305   14.957  275.242   17.833  245.900   26.538  299.400   24.080  433.462   23.726  479.593   19.384 -46.13095 30.63758 
1 1 1   -4   12   14 o  713.386   12.241  660.301   22.620  646.300   40.695  666.561   27.210  704.331   22.306  716.483   14.662 -12.15173 26.69284 
1 1 1   -4   12   15 o  197.262   13.141   50.717   6.6762   51.448   9.6987   50.059   9.2038  197.990   19.150  195.375   18.403 2.615540 26.55985 
1 1 1   -4   12   16 o  715.987   14.749  665.507   27.354   0.0000   0.0000  665.507   27.354  ?   ?   715.987   14.749 0.000000 14.74932 
1 1 1   -4   12   17 o  668.531   10.982  579.607   19.017  577.329   27.187  581.790   26.611  666.755   15.741  669.371   15.348 -2.615479 21.98521 
1 1 1   -4   12   18 o  600.999   10.831  468.435   16.861  473.715   24.479  463.668   23.259  603.938   15.648  597.564   15.027 6.374329 21.69439 
1 1 1   -4   12   19 o  656.148   10.593  558.376   18.004  571.300   26.142  546.716   24.831  663.209   15.217  648.836   14.774 14.37329 21.20942 
1 1 1   -4   12   20 o  807.087   11.127  845.066   23.262  845.534   33.164  844.612   32.637  806.610   15.873  806.213   15.628 0.3978882 22.27522 
1 1 1   -4   12   21 o  559.534   10.391  406.140   15.061  398.507   21.184  413.941   21.416  553.795   14.767  564.432   14.648 -10.63690 20.79977 
1 1 1   -4   12   22 o  252.638   13.508   83.150   8.8078   79.042   12.309   87.460   12.609  245.503   19.517  258.407   18.970 -12.90329 27.21706 
1 1 1   -4   12   23 o  380.415   11.348  187.879   11.182  173.577   16.270  200.681   15.394  365.083   17.205  392.797   15.130 -27.71436 22.91094 
1 1 1   -4   12   24 o  525.486   19.475  360.500   26.508  360.500   26.508   0.0000   0.0000  525.486   19.475  ?   ?  0.000000 19.47475 
1 1 1   -4   12   25 o  310.037   34.887  129.600   27.531  129.600   27.531   0.0000   0.0000  310.037   34.887  ?   ?  0.000000 34.88723 
1 1 1   -4   12   26 o  101.229   26.741   14.021   7.1166  -1.8145   10.678   26.674   9.5454   70.640   30.852  139.764   27.346 -69.12402 41.22677 
1 1 1   -4   12   27 o  288.055   12.254  108.003   9.1437  102.288   12.922  113.735   12.940  278.972   17.978  294.440   17.040 -15.46729 24.76986 
1 1 1   -4   12   28 o   92.279   27.704   11.513   7.1526   5.6061   10.771   16.172   9.5662   83.877   33.272  108.450   31.915 -24.57309 46.10379 
1 1 1   -4   12   29 o  296.482   17.425  115.924   13.323   0.0000   0.0000  115.924   13.323  ?   ?   296.482   17.425 0.000000 17.42477 
1 1 1   -4   12   30 o  144.547   20.613   28.246   7.4992   34.125   10.744   22.659   10.472  156.894   27.435  126.169   31.996 30.72463 42.14825 
1 1 1   -4   12   31 o  303.801   17.752  122.501   13.909   0.0000   0.0000  122.501   13.909  ?   ?   303.801   17.752 0.000000 17.75221 
1 1 1   -4   12   32 o  186.952   16.211   46.511   7.7725   38.691   10.389   56.454   11.714  167.398   24.701  203.702   22.581 -36.30341 33.46670 
1 1 1   -4   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   12   34 f  216.262   27.281   65.840   14.943   65.840   14.943   0.0000   0.0000  216.262   27.281  ?   ?  0.000000 27.28130 
1 1 1   -4   12   35 o  140.203   29.087   28.729   10.217   32.210   21.406   27.702   11.627  138.723   48.429  135.419   33.364 3.304489 58.80939 
1 1 1   -4   12   36 o  324.164   16.718  141.506   13.990  141.506   13.990   0.0000   0.0000  324.164   16.718  ?   ?  0.000000 16.71822 
1 1 1   -4   12   37 f  102.813   27.106   15.762   7.3217   4.8959   10.599   25.679   10.126   77.238   32.109  129.669   30.634 -52.43115 44.37831 
1 1 1   -4   12   38 o  155.163   20.887   33.957   8.1818   48.099   11.907   21.308   11.261  181.227   26.120  114.772   34.831 66.45482 43.53659 
1 1 1   -4   12   39 o  107.672   26.361   17.549   7.2930   20.337   9.9755   14.349   10.689  112.469   32.446   96.047   34.161 16.42265 47.11423 
1 1 1   -4   12   40 o   56.290   25.048  -0.7722   7.3523  -8.2803   10.089   7.7306   10.737   55.434   26.270   80.559   32.777 -25.12542 42.00512 
1 1 1   -4   12   41 o   79.507   28.810   9.3234   7.6415   11.949   10.697   6.5867   10.920   88.144   33.659   77.644   32.461 10.50040 46.76173 
1 1 1   -4   12   42 o  208.866   16.331   60.772   8.7651   63.827   12.591   57.900   12.210  206.030   24.044  195.488   24.661 10.54228 34.44234 
1 1 1   -4   12   43 o   76.144   31.055   8.0583   9.6679   5.5880   11.266   14.960   18.831   73.806   31.967   92.286   40.621 -18.48003 51.69065 
1 1 1   -4   12   44 o   48.886   23.245  -6.1639   8.0303 -16.8995   11.472   4.1513   11.245   49.932   24.634   70.308   31.146 -20.37568 39.71008 
1 1 1   -4   12   45 o   76.788   29.883   9.8032   8.5465   9.1714   11.535   10.572   12.726   77.129   32.856   80.043   34.315 -2.914841 47.50824 
1 1 1   -4   12   46 o   86.345   31.423   14.273   9.1044   17.270   12.638   11.040   13.127   89.523   35.865   79.162   34.397 10.36111 49.69346 
1 1 1   -4   12   47 o   64.100   27.831   4.9038   8.5807  -5.7826   12.764   13.716   11.591   58.576   28.234   81.244   33.660 -22.66761 43.93348 
1 1 1   -4   12   48 o   77.147   31.233   12.414   9.6943   8.5957   13.795   16.139   13.626   71.430   32.779   80.955   35.110 -9.525665 48.03288 
1 1 1   -4   13    1 o  801.244   10.675  834.678   22.156  815.918   30.945  854.413   31.738  790.669   15.109  809.092   15.144 -18.42279 21.39200 
1 1 1   -4   13    2 o  626.708   9.8614  510.360   16.009  500.515   22.441  520.562   22.844  619.609   13.982  631.904   13.956 -12.29443 19.75542 
1 1 1   -4   13    3 o  337.055   10.002  147.632   8.7328  132.829   12.215  163.110   12.490  319.077   14.779  353.775   13.630 -34.69797 20.10408 
1 1 1   -4   13    4 o  294.695   10.610  112.897   8.0992  116.472   11.731  109.642   11.195  298.357   15.230  289.502   14.981 8.854370 21.36298 
1 1 1   -4   13    5 o  102.503   21.520   14.312   5.5318   13.368   8.2256   15.092   7.4745   99.486   29.674  104.780   27.274 -5.293663 40.30410 
1 1 1   -4   13    6 o   37.549   18.061  -7.6791   5.1583  -8.3071   7.7996  -7.1909   6.8770   49.838   23.460   47.028   22.103 2.810654 32.23209 
1 1 1   -4   13    7 o  423.921   13.972  233.988   15.342   0.0000   0.0000  233.988   15.342  ?   ?   423.921   13.972 0.000000 13.97186 
1 1 1   -4   13    8 o  707.585   10.536  650.169   19.311  621.820   26.682  681.350   27.983  691.074   14.905  723.390   14.934 -32.31665 21.09972 
1 1 1   -4   13    9 o  386.894   11.357  194.391   11.382   0.0000   0.0000  194.391   11.382  ?   ?   386.894   11.357 0.000000 11.35714 
1 1 1   -4   13   10 o   81.117   27.285   8.0915   6.7787   0.0000   0.0000   8.0915   6.7787  ?   ?    81.117   27.285 0.000000 27.28480 
1 1 1   -4   13   11 o  536.246   12.147  373.259   16.873  347.100   28.552  387.297   20.916  515.920   21.365  545.946   14.791 -30.02509 25.98497 
1 1 1   -4   13   12 o  573.582   12.270  426.939   18.230  430.400   32.413  425.337   22.048  574.689   21.774  572.241   14.874 2.448425 26.36932 
1 1 1   -4   13   13 o  379.081   11.719  186.422   11.507  182.600   23.389  187.642   13.218  373.390   24.315  380.223   13.421 -6.832794 27.77302 
1 1 1   -4   13   14 o  372.748   10.654  180.181   10.287  160.100   22.629  185.411   11.549  349.454   25.168  378.065   11.793 -28.61136 27.79366 
1 1 1   -4   13   15 o  677.975   10.604  596.059   18.622  592.521   26.643  599.438   26.037  675.513   15.227  679.494   14.793 -3.980530 21.22926 
1 1 1   -4   13   16 f  581.283   10.849  438.196   16.335  437.470   24.041  438.818   22.263  580.354   15.992  581.368   14.784 -1.014404 21.77866 
1 1 1   -4   13   17 o  390.196   11.328  197.488   11.450  191.999   16.492  202.594   15.908  384.408   16.563  394.947   15.550 -10.53918 22.71840 
1 1 1   -4   13   18 o  281.255   17.181  103.215   12.457   0.0000   0.0000  103.215   12.457  ?   ?   281.255   17.181 0.000000 17.18130 
1 1 1   -4   13   19 o  562.581   14.708  411.138   21.434   0.0000   0.0000  411.138   21.434  ?   ?   562.581   14.708 0.000000 14.70842 
1 1 1   -4   13   20 f  133.136   19.552   23.574   6.5417   32.224   10.570   18.203   8.3286  154.631   27.391  115.587   28.092 39.04414 39.23561 
1 1 1   -4   13   21 o  537.186   10.683  374.456   14.865  375.025   21.469  373.931   20.602  537.037   15.433  536.335   14.829 0.7020874 21.40316 
1 1 1   -4   13   22 o  374.518   11.443  182.107   11.101  172.466   15.809  191.486   15.593  363.961   16.769  383.630   15.691 -19.66971 22.96542 
1 1 1   -4   13   23 f  445.355   13.751  257.902   15.864  272.900   22.323  242.600   22.548  457.328   18.844  430.956   20.199 26.37280 27.62386 
1 1 1   -4   13   24 o   99.172   39.926   6.6738   15.746  -6.8380   23.957   16.950   20.893  101.724   45.243  125.848   47.274 -24.12440 65.43462 
1 1 1   -4   13   25 o  344.638   12.027  154.442   10.737  146.716   16.077  160.662   14.425  334.479   18.630  350.996   15.866 -16.51755 24.47077 
1 1 1   -4   13   26 o   49.302   23.791 -14.0020   9.1241 -14.0020   9.1241   0.0000   0.0000   49.302   23.791  ?   ?  0.000000 23.79148 
1 1 1   -4   13   27 f  212.393   14.186   59.135   7.7599   66.489   11.672   53.309   10.388  223.921   20.346  200.320   20.300 23.60144 28.74086 
1 1 1   -4   13   28 o   85.183   26.999   9.6204   6.6836   16.417   10.780   5.3768   8.5183  109.527   34.230   76.958   29.866 32.56872 45.42805 
1 1 1   -4   13   29 o   88.110   26.380   10.602   6.4917   15.259   10.106   7.3299   8.4702  105.332   33.179   81.401   30.194 23.93060 44.86103 
1 1 1   -4   13   30 o  229.426   14.026   69.305   8.2956   67.926   12.543   70.377   11.060  224.541   21.842  229.743   18.748 -5.202698 28.78493 
1 1 1   -4   13   31 o   69.348   26.974   4.4821   6.9608  -1.5207   10.190   9.7346   9.5316   67.864   29.876   88.941   32.184 -21.07702 43.91331 
1 1 1   -4   13   32 o  176.371   16.503   41.551   7.4520   46.701   9.9614   35.007   11.230  185.354   21.125  157.029   28.665 28.32486 35.60800 
1 1 1   -4   13   33 o  138.256   22.843   26.573   7.8949   31.491   11.504   22.193   10.855  146.941   31.188  122.340   33.342 24.60117 45.65512 
1 1 1   -4   13   34 f  134.660   50.135   29.330   23.396   29.330   23.396   0.0000   0.0000  134.660   50.135  ?   ?  0.000000 50.13512 
1 1 1   -4   13   35 o  222.255   13.340   65.645   7.6444   72.759   10.946   58.872   10.680  231.437   18.412  207.079   20.166 24.35715 27.30717 
1 1 1   -4   13   36 o  136.165   23.376   26.484   7.9480   20.790   11.178   32.308   11.304  115.044   34.655  146.081   30.840 -31.03673 46.39051 
1 1 1   -4   13   37 o   94.093   28.829   13.351   7.6895   18.790   10.840   7.8412   10.910  108.696   34.376   82.938   33.289 25.75833 47.85251 
1 1 1   -4   13   38 o  159.835   18.802   35.616   7.6355   49.468   10.935   22.434   10.667  185.402   23.282  117.731   33.421 67.67093 40.73143 
1 1 1   -4   13   39 o   70.262   26.429   6.2975   6.5344   5.4899   8.4808   7.4773   10.251   72.123   29.208   79.567   32.151 -7.444313 43.43735 
1 1 1   -4   13   40 o  119.221   27.032   22.026   8.1558   25.487   11.292   18.252   11.793  122.483   34.252  103.192   35.950 19.29083 49.65485 
1 1 1   -4   13   41 o   70.014   28.226   5.7321   7.8809   15.953   11.551  -3.1698   10.780   96.229   35.337   62.165   28.691 34.06343 45.51724 
1 1 1   -4   13   42 o  171.200   20.711   43.001   8.9975   38.333   12.373   48.239   13.107  148.901   32.952  170.278   30.853 -21.37685 45.14123 
1 1 1   -4   13   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   13   44 o  120.699   28.603   24.989   8.8060   25.136   13.400   24.877   11.683  107.426   38.244  110.929   35.753 -3.503311 52.35316 
1 1 1   -4   13   45 o   73.727   29.953   8.7238   8.9497   16.054   12.372   0.6781   12.962   88.157   35.427   66.654   31.003 21.50326 47.07702 
1 1 1   -4   13   46 o   70.056   28.220   7.9097   7.8705   18.768   11.665  -1.1648   10.664   92.044   35.149   59.582   27.849 32.46216 44.84451 
1 1 1   -4   13   47 o   54.787   25.075   0.3098   7.9989   1.7307   10.391  -1.7567   12.532   61.175   28.211   60.741   28.926 0.4334183 40.40517 
1 1 1   -4   14    1 o  479.796   9.6784  298.979   12.029  301.499   17.066  296.491   16.956  481.145   13.693  477.127   13.720 4.018250 19.38393 
1 1 1   -4   14    2 o  137.885   16.480   25.164   5.7694   21.809   8.2231   28.418   8.0968  126.303   26.001  145.494   22.186 -19.19133 34.18022 
1 1 1   -4   14    3 f  172.124   14.164   38.843   6.2589   32.570   8.7894   45.295   8.9146  155.968   22.398  185.164   18.849 -29.19550 29.27440 
1 1 1   -4   14    4 o  265.888   11.423   91.880   7.8675  106.046   11.545   79.598   10.750  284.786   15.711  246.399   16.946 38.38705 23.10879 
1 1 1   -4   14    5 f  373.079   14.699  181.222   14.205  181.222   14.205   0.0000   0.0000  373.079   14.699  ?   ?  0.000000 14.69940 
1 1 1   -4   14    6 o  239.516   17.819   75.236   10.976   0.0000   0.0000   75.236   10.976  ?   ?   239.516   17.819 0.000000 17.81911 
1 1 1   -4   14    7 f  336.408   12.770  147.059   11.128  127.300   18.406  158.444   13.971  311.016   23.010  348.918   15.458 -37.90234 27.71972 
1 1 1   -4   14    8 o  400.126   14.646  208.142   15.180  223.000   22.793  196.300   20.349  412.737   21.393  387.374   20.351 25.36401 29.52675 
1 1 1   -4   14    9 o  248.246   13.510   80.278   8.6549   67.295   12.071   94.013   12.416  226.242   20.832  268.152   17.979 -41.91084 27.51775 
1 1 1   -4   14   10 o  223.216   13.285   64.917   7.6468   34.860   17.242   72.277   8.5317  159.244   41.412  235.493   14.050 -76.24901 43.73045 
1 1 1   -4   14   11 o  499.117   15.189  323.583   19.638  314.200   27.897  332.800   27.648  491.055   21.932  505.492   21.116 -14.43704 30.44467 
1 1 1   -4   14   12 o  462.863   22.169  279.100   26.580  279.100   26.580   0.0000   0.0000  462.863   22.169  ?   ?  0.000000 22.16903 
1 1 1   -4   14   13 o  753.629   11.006  736.614   21.486  746.800   45.256  733.651   24.412  757.035   23.079  751.956   12.533 5.078796 26.26220 
1 1 1   -4   14   14 o  812.357   11.591  856.011   24.389  897.700   52.806  844.706   27.498  829.689   24.571  806.797   13.158 22.89185 27.87199 
1 1 1   -4   14   15 o  296.809   21.489  115.298   16.409  120.900   32.511  113.383   19.008  299.442   43.162  293.738   25.227 5.704224 49.99350 
1 1 1   -4   14   16 o  633.074   12.902  520.127   21.158  481.400   38.345  537.080   25.370  607.473   24.369  643.052   15.231 -35.57928 28.73677 
1 1 1   -4   14   17 o  486.127   10.531  306.514   13.261  308.775   19.560  304.591   18.041  487.504   15.489  484.296   14.381 3.208710 21.13611 
1 1 1   -4   14   18 o  200.087   14.349   52.268   7.3874   43.641   10.575   60.489   10.324  181.465   23.016  214.769   18.745 -33.30420 29.68376 
1 1 1   -4   14   19 o  623.674   10.736  504.678   17.345  510.902   24.861  498.776   24.211  626.927   15.309  619.476   15.088 7.451782 21.49457 
1 1 1   -4   14   20 o  285.530   15.463  106.329   11.394   0.0000   0.0000  106.329   11.394  ?   ?   285.530   15.463 0.000000 15.46317 
1 1 1   -4   14   21 o  246.254   13.541   79.049   8.6045   79.859   12.074   78.213   12.265  246.748   19.038  244.090   19.563 2.657883 27.29785 
1 1 1   -4   14   22 o  217.790   14.552   61.980   8.1619   57.230   12.625   65.391   10.698  207.633   23.911  223.108   18.683 -15.47496 30.34472 
1 1 1   -4   14   23 o  122.603   49.546   10.750   24.347   10.750   24.347   0.0000   0.0000  122.603   49.546  ?   ?  0.000000 49.54639 
1 1 1   -4   14   24 o  575.340   16.220  431.797   24.173  431.797   24.173   0.0000   0.0000  575.340   16.220  ?   ?  0.000000 16.22040 
1 1 1   -4   14   25 o  146.070   27.073   29.122   9.8662   0.0000   0.0000   29.122   9.8662  ?   ?   146.070   27.073 0.000000 27.07272 
1 1 1   -4   14   26 o  199.348   15.409   52.230   7.8948   54.931   10.711   49.017   11.682  203.329   20.622  191.046   24.145 12.28326 31.75335 
1 1 1   -4   14   27 o   74.081   27.511   5.8363   7.0363   7.9726   9.8008   3.5641   10.108   86.484   32.399   77.670   31.725 8.814751 45.34501 
1 1 1   -4   14   28 o   60.595   25.680   0.6137   6.9836  -4.3540   10.204   4.9907   9.5782   64.340   28.998   78.755   31.332 -14.41437 42.69219 
1 1 1   -4   14   29 o  273.390   13.190   97.886   9.3405  100.786   13.449   95.185   12.982  275.174   18.984  267.431   18.862 7.743591 26.76130 
1 1 1   -4   14   30 o  149.188   20.028   30.161   7.5441   25.926   10.503   34.673   10.843  134.422   30.822  157.285   27.622 -22.86343 41.38763 
1 1 1   -4   14   31 o   55.835   24.383  -0.7943   6.6673   8.1460   9.5227  -9.3911   9.3379   84.659   31.893   54.055   25.513 30.60410 40.84212 
1 1 1   -4   14   32 o   63.465   25.361   3.2145   6.3014  -4.6568   9.5625   9.2562   8.3777   60.574   27.605   85.007   30.242 -24.43245 40.94676 
1 1 1   -4   14   33 o   74.938   32.504   0.8437   11.682   0.8437   11.682   0.0000   0.0000   74.938   32.504  ?   ?  0.000000 32.50422 
1 1 1   -4   14   34 o  216.348   36.778   71.670   19.873   71.670   19.873   0.0000   0.0000  216.348   36.778  ?   ?  0.000000 36.77841 
1 1 1   -4   14   35 o  144.220   22.820   29.460   8.2413   41.331   11.817   18.217   11.500  167.905   28.167  108.513   35.507 59.39246 45.32264 
1 1 1   -4   14   36 o   88.789   28.969   11.626   7.6568   23.284   10.948   0.4655   10.712  121.131   33.676   69.710   30.661 51.42057 45.54348 
1 1 1   -4   14   37 o   78.220   26.469   8.7428   6.3799   18.582   9.1619  -0.5197   8.8893  108.690   31.016   62.364   27.656 46.32595 41.55528 
1 1 1   -4   14   38 o   57.565   25.057   0.4888   6.9904  -1.6287   10.211   2.3565   9.5900   64.134   28.948   68.684   29.621 -4.549377 41.41689 
1 1 1   -4   14   39 o  181.706   19.099   46.539   8.8551   54.211   12.753   39.398   12.305  189.349   26.746  156.882   31.376 32.46716 41.22898 
1 1 1   -4   14   40 o   61.680   26.377   2.2267   7.4865   9.8019   10.513  -5.5671   10.664   82.896   32.874   59.292   27.757 23.60413 43.02516 
1 1 1   -4   14   41 o   54.180   24.676  -1.8882   7.6261  -6.1833   10.585   2.7468   10.996   57.653   27.197   69.898   30.890 -12.24501 41.15660 
1 1 1   -4   14   42 o   63.094   27.963   1.6747   9.0736   5.8300   11.535  -5.0680   14.695   74.088   32.218   66.846   31.686 7.242775 45.18822 
1 1 1   -4   14   43 o   49.087   24.293 -17.8455   11.468 -25.2500   19.532 -13.9500   14.167   61.541   30.665   57.954   28.343 3.587097 41.75699 
1 1 1   -4   14   44 o   71.167   29.037   7.5811   8.4565   0.7858   11.132   16.852   13.003   64.066   29.417   89.709   36.224 -25.64273 46.66409 
1 1 1   -4   14   45 f   87.691   31.366   14.987   9.0235   8.8065   12.494   21.727   13.047   75.006   33.048   96.663   37.111 -21.65752 49.69300 
1 1 1   -4   14   46 o   81.312   30.049   12.927   8.3741   25.901   13.269   4.3386   10.796  101.480   37.761   65.664   29.689 35.81629 48.03523 
1 1 1   -4   14   47 o   68.399   29.284   8.1088   9.2457   7.5552   13.131   8.6531   13.020   69.476   31.919   70.694   32.215 -1.218048 45.35004 
1 1 1   -4   15    1 o  369.995   10.569  177.727   10.129  166.534   14.396  188.702   14.255  357.657   15.539  380.850   14.449 -23.19360 21.21906 
1 1 1   -4   15    2 o  154.316   19.659   31.584   7.6796   35.170   13.464   29.854   9.3497  160.043   33.550  148.866   25.142 11.17732 41.92516 
1 1 1   -4   15    3 o  183.340   17.541   44.200   8.2288   57.640   15.066   38.487   9.8233  207.332   28.835  170.001   22.890 37.33142 36.81535 
1 1 1   -4   15    4 o  552.883   14.305  397.454   20.486  385.000   28.919  410.000   29.026  543.023   20.560  560.499   19.992 -17.47589 28.67719 
1 1 1   -4   15    5 o  205.639   20.345   55.699   10.695   58.460   15.884   53.410   14.465  208.701   30.265  199.641   28.806 9.060593 41.78237 
1 1 1   -4   15    6 o  575.283   12.061  429.656   17.973  403.956   21.712  485.600   32.034  557.445   15.036  610.265   20.265 -52.82062 25.23393 
1 1 1   -4   15    7 o  612.718   10.410  487.021   16.521  475.698   22.946  499.209   23.807  605.073   14.640  619.820   14.828 -14.74646 20.83782 
1 1 1   -4   15    8 o  314.769   11.729  128.568   9.5632  130.173   14.297  127.269   12.864  315.874   17.543  312.520   15.945 3.353485 23.70632 
1 1 1   -4   15    9 o  214.032   34.412   61.680   18.432   61.680   18.432   0.0000   0.0000  214.032   34.412  ?   ?  0.000000 34.41220 
1 1 1   -4   15   10 o  468.113   15.083  284.602   18.289  291.400   26.368  278.300   25.389  472.985   21.522  462.270   21.203 10.71521 30.21162 
1 1 1   -4   15   11 o  408.860   10.870  216.810   11.512  187.100   24.313  225.397   13.070  377.871   24.980  416.807   12.106 -38.93613 27.75930 
1 1 1   -4   15   12 o  586.731   10.862  446.479   16.507  414.500   33.678  456.592   18.939  563.959   23.054  593.221   12.325 -29.26178 26.14162 
1 1 1   -4   15   13 o  628.020   11.410  511.605   18.561  476.700   37.597  522.854   21.343  604.631   24.005  634.744   12.981 -30.11298 27.29043 
1 1 1   -4   15   14 o  301.928   15.190  118.695   11.842  162.300   31.637  111.590   12.770  349.633   35.421  292.536   16.925 57.09689 39.25704 
1 1 1   -4   15   15 o  455.854   11.632  269.604   13.735  209.600   32.129  283.022   15.194  398.589   31.372  466.993   12.560 -68.40472 33.79333 
1 1 1   -4   15   16 o  526.040   10.939  358.983   14.905  342.900   30.476  364.039   17.088  512.688   22.949  529.603   12.456 -16.91437 26.11122 
1 1 1   -4   15   17 o  542.918   11.129  382.463   15.651  346.400   35.067  391.433   17.489  513.838   26.436  549.136   12.295 -35.29871 29.15513 
1 1 1   -4   15   18 o  657.858   23.901  565.700   40.729  565.700   40.729   0.0000   0.0000  657.858   23.901  ?   ?  0.000000 23.90111 
1 1 1   -4   15   19 o  635.840   10.825  524.708   17.828  495.895   25.158  553.773   25.268  617.425   15.730  652.600   14.948 -35.17578 21.69977 
1 1 1   -4   15   20 o   75.279   27.605   5.9966   7.0457   2.2511   10.311   9.2779   9.6505   76.755   31.769   90.541   32.432 -13.78506 45.39906 
1 1 1   -4   15   21 o  510.163   11.913  338.125   15.743  352.300   26.156  330.073   19.713  519.419   19.440  503.580   15.112 15.83908 24.62331 
1 1 1   -4   15   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   15   23 o  288.920   15.925  109.195   11.872  114.300   27.565  108.032   13.155  289.315   37.675  287.023   17.781 2.292206 41.66054 
1 1 1   -4   15   24 o  481.449   10.920  301.350   13.618  288.313   20.157  312.298   18.471  469.761   16.565  489.392   14.571 -19.63077 22.06161 
1 1 1   -4   15   25 o  179.620   17.885   42.688   8.2106   41.289   12.081   43.889   11.193  174.097   27.719  180.512   24.576 -6.415054 37.04514 
1 1 1   -4   15   26 o  307.805   12.404  123.554   9.8897  134.690   14.031  112.560   13.942  319.985   16.989  292.003   18.528 27.98215 25.13812 
1 1 1   -4   15   27 o  192.502   16.247   49.006   8.0258   49.950   11.881   48.213   10.885  191.930   24.453  189.107   22.674 2.823639 33.34700 
1 1 1   -4   15   28 o   89.453   26.385   11.033   6.5315   6.0835   10.333   14.326   8.4288   82.712   32.659  101.282   29.999 -18.57014 44.34565 
1 1 1   -4   15   29 o  104.575   24.238   15.324   6.4373   10.120   8.9368   20.936   9.2804   89.052   31.280  120.982   29.808 -31.92992 43.20805 
1 1 1   -4   15   30 o  275.002   13.258   99.373   9.4441   91.799   13.818  106.012   12.937  260.952   20.611  281.902   17.808 -20.95013 27.23864 
1 1 1   -4   15   31 o   50.810   22.571  -1.6522   5.9459   5.8989   7.6688 -13.0330   9.4148   74.554   28.493   50.424   24.291 24.12940 37.44166 
1 1 1   -4   15   32 o  233.462   25.909   76.270   15.404   76.270   15.404   0.0000   0.0000  233.462   25.909  ?   ?  0.000000 25.90932 
1 1 1   -4   15   33 o  126.138   47.611   25.160   21.247   25.160   21.247   0.0000   0.0000  126.138   47.611  ?   ?  0.000000 47.61150 
1 1 1   -4   15   34 o  104.062   27.755   16.059   7.6191   20.173   10.961   12.214   10.598  114.070   34.307   93.478   33.920 20.59188 48.24473 
1 1 1   -4   15   35 o   70.639   27.282   5.6303   7.0818   13.111   10.959   0.2662   9.2797   94.861   34.482   65.444   28.667 29.41751 44.84193 
1 1 1   -4   15   36 o   95.861   24.889   13.678   6.2349   19.501   9.3265   8.9725   8.3836  111.395   31.122   81.191   30.054 30.20329 43.26427 
1 1 1   -4   15   37 o   81.873   28.808   9.7505   7.5817   3.6246   11.068   15.167   10.407   74.308   31.932   97.620   33.785 -23.31234 46.48756 
1 1 1   -4   15   38 o   68.995   28.013   4.9006   7.8220   5.9796   11.025   3.8069   11.099   77.493   32.521   73.955   31.881 3.537262 45.54140 
1 1 1   -4   15   39 o  105.866   28.007   17.827   7.7989   11.824   11.001   23.892   11.058   87.811   33.979  117.702   34.221 -29.89061 48.22468 
1 1 1   -4   15   40 o   53.035   23.945  -1.3496   6.9933   9.2104   9.1659 -16.0600   10.818   79.368   30.931   49.806   24.443 29.56146 39.42286 
1 1 1   -4   15   41 o   49.157   23.130  -5.0047   7.5673   8.5314   11.319 -15.9453   10.176   78.657   32.978   47.412   23.354 31.24460 40.41001 
1 1 1   -4   15   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   15   43 o   95.344   32.021   17.324   9.3363   19.423   13.497   15.397   12.928   94.404   37.309   87.534   35.831 6.870575 51.72772 
1 1 1   -4   15   44 o   42.833   21.139 -13.1593   8.4712 -14.6198   11.335 -11.3116   12.749   49.819   24.561   55.310   27.016 -5.491035 36.51128 
1 1 1   -4   15   45 o  180.505   20.050   50.141   9.2163   53.448   12.932   46.728   13.139  170.611   30.375  153.311   33.977 17.30072 45.57507 
1 1 1   -4   15   46 o   65.457   27.734   6.6108   8.1420   6.5229   10.635   6.7353   12.656   67.308   30.025   69.013   31.569 -1.705627 43.56752 
1 1 1   -4   16    1 o  418.112   12.021  226.924   13.019  218.949   16.098  242.000   22.133  410.429   15.142  430.946   19.828 -20.51678 24.94839 
1 1 1   -4   16    2 f  323.232   11.389  135.585   9.5356  127.852   13.883  142.493   13.120  313.016   17.188  331.099   15.298 -18.08292 23.00981 
1 1 1   -4   16    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   16    4 o  559.414   10.408  405.948   15.082  420.442   21.848  392.754   20.845  568.854   14.827  549.827   14.636 19.02710 20.83412 
1 1 1   -4   16    5 o  621.785   10.565  501.504   17.015  519.884   24.776  485.095   23.409  632.563   15.121  611.074   14.789 21.48907 21.15078 
1 1 1   -4   16    6 o  527.685   10.426  361.159   14.251  371.007   20.340  351.664   19.973  534.449   14.693  520.317   14.819 14.13184 20.86828 
1 1 1   -4   16    7 o  666.266   12.537  576.100   21.637  530.200   36.506  600.956   26.865  637.814   22.096  680.158   15.248 -42.34430 26.84691 
1 1 1   -4   16    8 o  415.979   16.425  224.870   17.698  223.400   26.221  226.100   23.986  413.031   24.620  415.929   22.345 -2.897949 33.24827 
1 1 1   -4   16    9 f  386.246   12.089  193.564   12.095  210.506   17.556  178.259   16.687  402.456   16.841  370.306   17.397 32.14966 24.21293 
1 1 1   -4   16   10 o  845.691   11.925  927.884   26.122  889.198   36.012  970.842   37.948  827.170   16.807  864.285   16.951 -37.11536 23.87080 
1 1 1   -4   16   11 o  412.357   15.364  220.857   16.410  250.800   31.625  209.823   19.197  437.085   28.081  401.670   18.451 35.41418 33.60046 
1 1 1   -4   16   12 o  732.130   11.747  695.409   22.278  684.400   47.536  698.508   25.219  724.053   25.346  733.586   13.272 -9.533508 28.61028 
1 1 1   -4   16   13 o  207.108   18.000   56.203   9.5607   36.820   22.145   60.643   10.599  164.637   48.589  215.027   19.233 -50.39053 52.25710 
1 1 1   -4   16   14 o  492.619   13.087  315.037   16.699  268.500   31.848  332.684   19.611  452.207   27.317  506.046   14.961 -53.83978 31.14582 
1 1 1   -4   16   15 o  834.161   11.692  903.005   25.263  830.000   51.462  926.183   28.997  796.909   24.930  844.558   13.255 -47.64911 28.23495 
1 1 1   -4   16   16 o  164.740   19.345   35.834   8.0978  -6.8250   19.670   44.539   8.8857   91.934   40.935  183.970   18.916 -92.03570 45.09425 
1 1 1   -4   16   17 o  287.831   14.022  107.660   10.454   91.330   27.531  110.411   11.301  258.483   42.603  291.028   15.042 -32.54517 45.18039 
1 1 1   -4   16   18 o  153.710   23.751   31.622   9.1516 -20.5600   23.386   41.059   9.9447   88.882   41.443  175.867   22.334 -86.98435 47.07763 
1 1 1   -4   16   19 o  459.860   13.526  274.911   16.112  233.400   32.233  288.738   18.603  419.709   29.843  471.046   15.246 -51.33630 33.51185 
1 1 1   -4   16   20 o  432.540   12.245  243.132   13.719  235.600   21.740  248.117   17.685  424.636   19.764  436.485   15.642 -11.84918 25.20508 
1 1 1   -4   16   21 o   60.504   27.877  -7.5560   10.114  -7.5560   10.114   0.0000   0.0000   60.504   27.877  ?   ?  0.000000 27.87681 
1 1 1   -4   16   22 o  283.510   16.804  105.297   12.286   69.680   27.285  114.354   13.759  220.713   49.002  295.235   18.079 -74.52153 52.23109 
1 1 1   -4   16   23 o  155.381   20.017   32.178   7.8691   32.087   11.601   32.256   10.709  152.610   30.416  153.652   27.936 -1.041977 41.29834 
1 1 1   -4   16   24 o  100.491   26.906   13.903   7.1433   20.554   11.110   9.2169   9.3265  121.493   33.976   88.879   31.878 32.61330 46.58961 
1 1 1   -4   16   25 o  350.173   15.724  160.583   14.262   0.0000   0.0000  160.583   14.262  ?   ?   350.173   15.724 0.000000 15.72368 
1 1 1   -4   16   26 o  218.005   14.874   62.565   8.3491   66.443   12.417   59.366   11.280  222.681   21.806  210.654   20.950 12.02698 30.23923 
1 1 1   -4   16   27 o  108.981   25.425   16.613   7.0461   23.475   10.041   9.9561   9.8898  128.468   30.610   90.675   32.788 37.79246 44.85564 
1 1 1   -4   16   28 o   93.881   27.691   12.312   7.1943   4.8202   10.138   19.913   10.211   79.157   31.978  117.545   32.464 -38.38767 45.56838 
1 1 1   -4   16   29 o  119.611   24.627   20.090   7.3758   20.520   10.427   19.660   10.435  118.643   32.822  116.209   33.079 2.434494 46.59926 
1 1 1   -4   16   30 o  317.078   12.664  132.150   10.402  131.470   15.046  132.772   14.396  313.099   18.636  315.175   17.705 -2.075531 25.70527 
1 1 1   -4   16   31 o  194.301   15.626   50.437   7.7979   57.419   11.062   43.540   10.994  204.898   21.146  176.430   24.737 28.46774 32.54353 
1 1 1   -4   16   32 o  382.701   22.003  201.100   21.720  201.100   21.720   0.0000   0.0000  382.701   22.003  ?   ?  0.000000 22.00278 
1 1 1   -4   16   33 o  246.518   13.549   80.890   8.6183   83.522   12.813   78.716   11.647  246.494   20.246  240.163   18.874 6.331177 27.67893 
1 1 1   -4   16   34 o  273.788   13.424   99.807   9.5199   89.547   14.336  107.902   12.733  252.751   22.119  281.502   17.549 -28.75146 28.23534 
1 1 1   -4   16   35 o  219.515   14.842   65.084   8.3895   74.386   11.519   54.575   12.243  231.474   19.390  193.870   24.960 37.60384 31.60670 
1 1 1   -4   16   36 f   65.925   27.213   3.6329   7.5362   17.694   11.021  -8.7143   10.328  103.966   34.792   56.008   26.553 47.95782 43.76679 
1 1 1   -4   16   37 o  152.987   20.797   33.531   8.0278   32.559   10.938   34.666   11.819  143.327   30.404  146.541   32.030 -3.214767 44.16288 
1 1 1   -4   16   38 o  113.654   25.710   19.880   7.3918   23.662   9.9071   15.130   11.102  119.647   31.525   95.388   34.701 24.25888 46.88254 
1 1 1   -4   16   39 o  117.431   27.482   21.991   8.2115   15.538   12.284   27.203   11.041   94.670   36.089  125.302   33.407 -30.63267 49.17783 
1 1 1   -4   16   40 o  101.158   28.865   17.153   7.9355   21.939   11.653   13.014   10.836  107.742   35.767   87.475   33.758 20.26739 49.18242 
1 1 1   -4   16   41 o  124.060   34.820   29.204   11.647   28.240   15.055   30.640   18.381  112.519   40.486  110.941   43.635 1.578148 59.52455 
1 1 1   -4   16   42 f   74.981   32.412   7.9241   11.537   20.680   21.893   3.0200   13.575   92.354   41.965   70.776   32.493 21.57766 53.07374 
1 1 1   -4   16   43 o   55.388   25.448  -0.8652   8.3490   8.3892   10.992 -13.4852   12.836   73.865   31.784   54.090   26.561 19.77510 41.42134 
1 1 1   -4   16   44 o   66.517   28.601   5.9291   8.8883   11.730   12.787   0.5067   12.363   78.169   33.957   63.877   29.898 14.29289 45.24324 
1 1 1   -4   16   45 o   57.393   25.990   1.6998   8.3104   1.1109   13.108   2.0957   10.746   63.965   30.202   61.963   28.614 2.001411 41.60437 
1 1 1   -4   16   46 o   69.570   29.500   9.2158   9.2234   13.574   12.765   4.4549   13.342   75.836   33.410   65.369   30.743 10.46758 45.40239 
1 1 1   -4   17    1 o  674.072   10.558  589.351   18.434  597.312   26.261  581.617   25.883  678.108   14.951  669.141   14.933 8.966309 21.13105 
1 1 1   -4   17    2 o  219.277   14.721   62.731   8.3129   63.605   11.864   61.888   11.651  219.975   21.079  216.971   20.994 3.003189 29.75008 
1 1 1   -4   17    3 o  696.010   10.819  628.370   19.505  602.089   27.209  656.156   27.977  680.761   15.430  710.703   15.197 -29.94238 21.65712 
1 1 1   -4   17    4 o  167.078   21.068   36.928   8.9152   51.350   18.554   32.599   10.166  194.057   38.272  155.911   26.093 38.14563 46.32056 
1 1 1   -4   17    5 o  554.544   15.813  399.555   22.714  386.600   32.254  412.300   31.992  544.534   22.867  562.488   21.957 -17.95386 31.70215 
1 1 1   -4   17    6 o  576.469   12.749  431.284   19.037  442.005   24.101  413.500   31.040  583.252   15.953  563.429   21.268 19.82281 26.58633 
1 1 1   -4   17    7 o  369.957   12.479  177.612   11.958  182.754   17.191  172.792   16.645  374.902   17.703  364.547   17.627 10.35544 24.98230 
1 1 1   -4   17    8 o  539.972   11.482  378.252   16.059  400.863   23.532  358.541   21.971  555.405   16.357  525.291   16.147 30.11426 22.98404 
1 1 1   -4   17    9 o  547.559   12.429  389.071   17.628  408.023   26.189  373.370   23.837  560.132   18.050  535.922   17.171 24.20917 24.91296 
1 1 1   -4   17   10 o  372.632   22.575  181.669   21.687  181.669   21.687   0.0000   0.0000  372.632   22.575  ?   ?  0.000000 22.57471 
1 1 1   -4   17   11 o  565.026   17.266  415.127   25.271   0.0000   0.0000  415.127   25.271  ?   ?   565.026   17.266 0.000000 17.26637 
1 1 1   -4   17   12 o  518.580   11.403  348.933   15.317  344.000   35.240  350.082   17.008  512.151   26.656  519.324   12.643 -7.173767 29.50200 
1 1 1   -4   17   13 o  303.043   13.225  119.249   10.381  165.200   26.687  111.055   11.269  353.710   29.393  291.963   14.951 61.74765 32.97718 
1 1 1   -4   17   14 o  165.862   18.579   36.265   7.8450   47.040   18.971   34.042   8.6162  184.726   40.742  160.176   21.294 24.55055 45.97148 
1 1 1   -4   17   15 o  343.593   12.937  153.334   11.514  148.100   28.696  154.339   12.571  333.363   33.695  344.626   14.082 -11.26328 36.51909 
1 1 1   -4   17   16 o  193.886   18.961   49.465   9.4006   60.170   23.474   47.421   10.259  208.031   44.880  189.404   21.279 18.62595 49.66882 
1 1 1   -4   17   17 o  378.290   13.085  185.970   12.821  159.000   31.057  191.511   14.077  344.483   35.304  383.773   14.161 -39.29028 38.03806 
1 1 1   -4   17   18 o  517.245   11.004  347.418   14.744  299.800   32.400  359.853   16.557  476.858   26.332  526.271   12.146 -49.41330 28.99837 
1 1 1   -4   17   19 o  328.263   17.973  141.048   15.225   0.0000   0.0000  141.048   15.225  ?   ?   328.263   17.973 0.000000 17.97329 
1 1 1   -4   17   20 o  194.088   39.025   52.381   18.940   42.570   28.460   60.180   25.374  174.446   55.757  205.467   48.463 -31.02071 73.87463 
1 1 1   -4   17   21 o  202.287   31.901   55.797   16.162   60.490   27.046   53.190   20.157  204.481   51.182  194.468   41.291 10.01265 65.76075 
1 1 1   -4   17   22 o  633.912   15.490  524.688   25.435   0.0000   0.0000  524.688   25.435  ?   ?   633.912   15.490 0.000000 15.49034 
1 1 1   -4   17   23 o  278.637   18.619  102.359   13.361  102.359   13.361   0.0000   0.0000  278.637   18.619  ?   ?  0.000000 18.61911 
1 1 1   -4   17   24 o  296.854   13.044  115.030   10.030  102.115   14.543  126.747   13.851  277.434   20.380  310.225   17.306 -32.79102 26.73643 
1 1 1   -4   17   25 o  150.297   20.984   30.494   7.9466   24.210   11.523   36.194   10.974  130.287   33.840  162.007   27.108 -31.72012 43.35866 
1 1 1   -4   17   26 o  239.092   14.593   75.322   8.9943   79.174   13.293   72.070   12.215  242.848   21.349  231.921   20.546 10.92703 29.62922 
1 1 1   -4   17   27 o  178.487   22.523   43.409   10.181   0.0000   0.0000   43.409   10.181  ?   ?   178.487   22.523 0.000000 22.52290 
1 1 1   -4   17   28 o  142.792   21.051   27.907   7.5526   30.431   11.574   26.035   9.9671  144.865   31.723  134.687   29.395 10.17809 43.24794 
1 1 1   -4   17   29 o   85.120   26.762   10.034   6.5785   15.328   9.7429   5.5983   8.9186  103.331   32.581   76.921   30.350 26.41000 44.52689 
1 1 1   -4   17   30 o  197.201   15.076   51.845   7.6429   57.345   10.926   46.575   10.695  204.869   20.880  183.414   23.019 21.45468 31.07804 
1 1 1   -4   17   31 o  156.816   32.227   36.690   12.653   36.690   12.653   0.0000   0.0000  156.816   32.227  ?   ?  0.000000 32.22721 
1 1 1   -4   17   32 o  111.870   29.710   18.777   8.7541   28.740   17.041   15.205   10.203  131.137   43.239  100.975   33.466 30.16272 54.67675 
1 1 1   -4   17   33 o   60.546   25.712   1.4735   7.0239   9.6855   10.265  -5.7557   9.6315   86.372   32.976   57.955   26.878 28.41636 42.54190 
1 1 1   -4   17   34 o   44.353   20.832  -5.2945   6.0916  -4.2469   7.6599  -7.0971   10.048   52.461   24.202   57.293   26.860 -4.831490 36.15533 
1 1 1   -4   17   35 o  209.129   16.614   60.009   8.9258   65.547   12.948   54.994   12.321  212.480   23.942  193.396   25.194 19.08388 34.75579 
1 1 1   -4   17   36 o  214.849   15.581   63.171   8.6124   78.880   12.159   47.357   12.200  236.163   20.067  176.217   27.637 59.94594 34.15399 
1 1 1   -4   17   37 o  208.907   16.403   60.383   8.8050   68.811   12.871   52.970   12.072  216.313   23.341  187.492   25.519 28.82098 34.58353 
1 1 1   -4   17   38 o   57.709   25.295   0.7441   7.2353  -5.6703   11.122   5.4504   9.5267   60.030   28.180   72.208   30.264 -12.17738 41.35236 
1 1 1   -4   17   39 f   76.798   28.693   8.9868   7.6764   6.0192   11.504   11.369   10.307   75.202   32.437   83.986   32.780 -8.784203 46.11583 
1 1 1   -4   17   40 o   70.678   27.877   7.1101   7.5217   12.513   9.9804   0.0071   11.444   84.792   32.481   65.340   29.937 19.45288 44.17258 
1 1 1   -4   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   17   42 o   69.332   29.256   6.7569   9.0015   1.4971   12.934   11.697   12.535   66.989   31.096   79.924   34.154 -12.93490 46.18934 
1 1 1   -4   17   43 o   87.169   31.426   15.189   9.0754   15.133   12.337   15.255   13.398   83.826   34.727   83.511   35.489 0.3151627 49.65335 
1 1 1   -4   17   44 o   67.660   27.823   7.4980   7.8401   15.601   10.670  -2.0102   11.558   84.051   33.186   58.984   28.001 25.06652 43.42074 
1 1 1   -4   17   45 o  119.567   29.973   28.218   9.2653   37.679   12.803   17.816   13.425  125.086   36.954   82.154   35.233 42.93220 51.05782 
1 1 1   -4   18    1 o  485.560   16.155  306.388   20.318  292.000   29.544  319.300   27.988  472.423   24.224  494.997   21.829 -22.57422 32.60830 
1 1 1   -4   18    2 f  337.541   18.824  148.694   16.393  140.200   22.447  158.400   23.995  326.433   26.783  347.080   26.900 -20.64722 37.95988 
1 1 1   -4   18    3 o  598.039   13.105  464.242   20.300  448.543   24.882  495.500   35.109  587.477   16.351  616.604   21.982 -29.12677 27.39587 
1 1 1   -4   18    4 o  805.192   11.764  841.200   24.537  868.661   35.393  815.788   34.047  817.482   16.714  792.234   16.591 25.24817 23.55048 
1 1 1   -4   18    5 o  786.704   11.842  803.037   24.133  820.120   35.039  787.621   33.286  794.254   17.031  778.447   16.507 15.80743 23.71822 
1 1 1   -4   18    6 o  739.508   12.098  709.645   23.174  689.521   32.846  729.590   32.700  728.198   17.413  749.152   16.851 -20.95410 24.23198 
1 1 1   -4   18    7 o  693.119   12.277  623.459   22.043  650.730   32.584  600.447   29.931  707.337   17.784  679.581   17.003 27.75568 24.60444 
1 1 1   -4   18    8 o  361.332   13.448  169.514   12.587  182.529   18.511  158.321   17.166  373.990   19.173  348.247   19.102 25.74200 27.06451 
1 1 1   -4   18    9 o  920.463   12.370  1099.69   29.494  1091.31   41.572  1108.18   41.851  915.959   17.521  923.013   17.504 -7.053040 24.76698 
1 1 1   -4   18   10 o  592.480   16.431  456.447   25.217   0.0000   0.0000  456.447   25.217  ?   ?   592.480   16.431 0.000000 16.43136 
1 1 1   -4   18   11 o  289.174   22.264  109.763   16.548  109.763   16.548   0.0000   0.0000  289.174   22.264  ?   ?  0.000000 22.26375 
1 1 1   -4   18   12 o  589.862   13.694  452.010   20.924  414.900   36.544  470.111   25.522  563.117   25.053  601.160   16.390 -38.04327 29.93801 
1 1 1   -4   18   13 o  384.670   12.648  192.176   12.602  165.600   29.540  198.088   13.934  352.905   32.686  390.442   13.777 -37.53769 35.47125 
1 1 1   -4   18   14 o  225.908   17.247   66.842   10.016   45.640   25.443   70.730   10.896  180.844   51.714  232.271   18.257 -51.42677 54.84189 
1 1 1   -4   18   15 o  126.452   30.878   21.926   10.026   1.0430   23.097   26.775   11.130  108.639   46.392  139.734   31.501 -31.09463 56.07608 
1 1 1   -4   18   16 o  529.341   13.348  364.290   18.302  346.200   37.168  370.081   21.028  511.953   28.136  533.226   15.224 -21.27319 31.99092 
1 1 1   -4   18   17 o  348.235   13.034  157.682   11.757   90.110   29.685  170.253   12.804  253.867   46.869  361.779   13.663 -107.9125 48.81998 
1 1 1   -4   18   18 o  104.774   34.384   14.149   10.781   0.0000   0.0000   14.149   10.781  ?   ?   104.774   34.384 0.000000 34.38371 
1 1 1   -4   18   19 o  287.552   21.633  109.094   15.995  106.100   30.502  110.229   18.786  275.840   44.181  288.053   25.438 -12.21301 50.98130 
1 1 1   -4   18   20 o  210.377   20.515   58.611   11.037   51.840   27.149   59.951   12.080  188.753   53.228  212.378   22.292 -23.62454 57.70717 
1 1 1   -4   18   21 o  240.722   16.487   76.127   10.218   41.980   22.217   85.287   11.507  170.391   48.186  254.625   17.555 -84.23351 51.28395 
1 1 1   -4   18   22 o  187.232   19.458   46.584   9.2993   2.2280   22.719   55.511   10.192  106.690   45.797  204.549   19.471 -97.85904 49.76408 
1 1 1   -4   18   23 o  108.757   32.241   16.395   9.7323   5.9870   23.691   18.508   10.675  112.091   47.390  115.097   33.668 -3.005936 58.13245 
1 1 1   -4   18   24 o  123.923   21.696   20.970   6.7107   17.019   9.1220   25.631   9.9072  110.004   30.795  135.084   29.167 -25.08022 42.41529 
1 1 1   -4   18   25 o  216.973   13.666   61.965   7.6413   54.198   12.217   66.955   9.7935  199.455   24.138  224.627   16.957 -25.17207 29.49856 
1 1 1   -4   18   26 o  194.051   16.194   50.071   8.0654   60.155   11.935   41.596   10.942  210.538   22.221  173.567   25.063 36.97087 33.49516 
1 1 1   -4   18   27 o   68.676   26.765   4.4409   6.8638  -2.7766   9.9719   10.939   9.4618   64.893   29.002   91.440   32.181 -26.54758 43.32104 
1 1 1   -4   18   28 o   46.201   21.350  -4.3512   5.9976  -2.0647   7.8828  -7.4943   9.2423   58.183   25.910   55.659   25.986 2.523754 36.69594 
1 1 1   -4   18   29 o  142.666   21.097   28.113   7.5612   25.251   11.309   30.427   10.168  129.703   33.446  145.345   28.023 -15.64160 43.63382 
1 1 1   -4   18   30 o  108.318   26.546   17.071   7.3900   21.230   11.641   14.264   9.5645  117.717   35.343   98.959   32.382 18.75817 47.93497 
1 1 1   -4   18   31 o   94.723   42.673   1.1280   22.067   1.1280   22.067   0.0000   0.0000   94.723   42.673  ?   ?  0.000000 42.67266 
1 1 1   -4   18   32 o  115.006   25.623   19.471   7.4378   21.370   10.708   17.701   10.339  116.468   33.621  106.585   33.557 9.883263 47.50219 
1 1 1   -4   18   33 o  123.918   23.882   22.424   7.3877   25.130   10.185   19.419   10.732  126.637   31.243  109.826   34.126 16.81120 46.26712 
1 1 1   -4   18   34 o   64.892   26.651   3.6115   7.1828   2.1745   10.370   4.9367   9.9586   70.325   30.564   74.240   31.015 -3.915184 43.54423 
1 1 1   -4   18   35 o  103.776   25.798   16.498   6.9050   13.631   9.4723   19.749   10.087   92.609   32.222  109.056   32.936 -16.44693 46.07615 
1 1 1   -4   18   36 o  143.842   21.146   30.037   7.6436   22.801   11.587   35.612   10.171  113.972   35.466  152.208   26.774 -38.23538 44.43730 
1 1 1   -4   18   37 o   75.862   27.737   8.4833   7.1058   3.3696   11.161   11.969   9.2144   71.700   31.423   86.369   31.584 -14.66872 44.55304 
1 1 1   -4   18   38 o   85.497   28.549   11.966   7.4209   11.751   10.244   12.203   10.764   84.858   32.802   86.007   33.519 -1.149078 46.89904 
1 1 1   -4   18   39 o  100.002   30.601   17.677   8.6673   14.255   12.635   20.718   11.912   88.413   35.705  102.376   36.100 -13.96231 50.77436 
1 1 1   -4   18   40 o   62.390   29.235  -2.3677   11.878   9.0610   15.328 -19.5500   18.794   79.600   35.738   62.466   30.947 17.13425 47.27469 
1 1 1   -4   18   41 o   82.581   33.326   13.182   10.998   57.940   23.321   0.3792   12.473  130.958   49.773   65.139   30.336 65.81969 58.28909 
1 1 1   -4   18   42 o   87.321   31.262   15.193   8.9656   23.844   12.551   6.1794   12.812  100.497   36.845   70.817   32.149 29.67997 48.89903 
1 1 1   -4   18   43 o  112.120   31.161   24.950   9.3757   16.505   13.231   33.469   13.288   83.382   35.342  116.951   38.163 -33.56887 52.01479 
1 1 1   -4   18   44 o   63.512   27.833   5.6550   8.7554   9.7827   13.219   2.4290   11.686   71.781   32.614   62.382   29.157 9.399334 43.74648 
1 1 1   -4   18   45 o  109.976   31.201   26.085   9.2997   17.984   12.794   35.161   13.542   80.156   34.386  110.225   38.516 -30.06872 51.63224 
1 1 1   -4   19    1 o  857.421   12.141  954.111   26.966  949.820   38.502  958.244   37.780  854.571   17.393  858.434   16.990 -3.863708 24.31460 
1 1 1   -4   19    2 o  240.365   27.095   76.522   16.576   76.522   16.576   0.0000   0.0000  240.365   27.095  ?   ?  0.000000 27.09535 
1 1 1   -4   19    3 o  551.903   12.059  395.307   17.239  395.358   24.995  395.261   23.809  551.314   17.503  551.356   16.671 -0.4254150E-01 24.17141 
1 1 1   -4   19    4 o  833.448   17.208  903.462   37.150  903.462   37.150   0.0000   0.0000  833.448   17.208  ?   ?  0.000000 17.20777 
1 1 1   -4   19    5 o  840.673   11.993  917.239   26.115  896.689   36.560  938.649   37.316  830.328   16.998  849.542   16.958 -19.21387 24.01034 
1 1 1   -4   19    6 o  741.822   11.925  714.233   22.914  675.675   31.997  754.821   32.829  720.708   17.140  761.847   16.636 -41.13843 23.88563 
1 1 1   -4   19    7 o  660.608   11.566  566.369   19.792  588.952   29.455  547.778   26.724  672.868   16.900  649.085   15.895 23.78284 23.19993 
1 1 1   -4   19    8 o  412.002   12.517  220.394   13.358  230.776   19.508  211.228   18.329  421.050   17.887  402.859   17.565 18.19092 25.06890 
1 1 1   -4   19    9 o  555.521   11.760  400.603   16.923  449.332   25.227  360.732   22.819  587.679   16.572  526.538   16.731 61.14044 23.54887 
1 1 1   -4   19   10 o  315.132   15.247  129.136   12.446  109.540   18.309  145.969   16.969  288.269   24.761  334.025   19.700 -45.75598 31.64111 
1 1 1   -4   19   11 o  528.625   12.354  362.926   16.916  331.819   24.129  392.990   23.721  504.603   18.461  549.461   16.667 -44.85822 24.87097 
1 1 1   -4   19   12 f  344.001   14.644  153.896   13.049  188.931   19.713  126.572   17.408  379.944   20.101  310.459   21.785 69.48471 29.64228 
1 1 1   -4   19   13 o  442.931   14.796  255.229   16.976  186.500   27.691  296.611   21.487  375.284   28.703  477.086   17.387 -101.8019 33.55842 
1 1 1   -4   19   14 o  272.728   15.676   97.167   11.028  100.000   28.432   96.665   11.964  269.882   42.040  271.804   17.080 -1.921631 45.37713 
1 1 1   -4   19   15 o  271.792   14.392   96.405   10.096   63.430   26.240  102.135   10.938  211.556   48.869  279.661   15.156 -68.10497 51.16501 
1 1 1   -4   19   16 o  552.423   13.023  396.953   18.635   0.0000   0.0000  396.953   18.635  ?   ?   552.423   13.023 0.000000 13.02309 
1 1 1   -4   19   17 o  299.056   16.425  117.044   12.675   54.790   28.478  132.423   14.154  194.642   54.383  317.988   17.249 -123.3461 57.05298 
1 1 1   -4   19   18 o  215.840   27.225   62.607   14.883   18.310   29.075   78.333   17.324  138.583   54.761  241.483   28.229 -102.9005 61.60897 
1 1 1   -4   19   19 o  113.650   31.794   17.816   9.7271   39.570   26.014   14.280   10.488  166.729   53.309  104.259   33.899 62.46961 63.17451 
1 1 1   -4   19   20 o  165.947   20.660   36.783   8.6883   24.840   22.305   38.919   9.4334  138.480   49.337  170.465   21.868 -31.98552 53.96654 
1 1 1   -4   19   21 o   77.526   30.359   5.1706   8.8633   4.0400   26.588   5.3120   9.4011  115.646   49.589   79.361   31.209 36.28527 58.59235 
1 1 1   -4   19   22 o  298.025   14.570  116.292   11.248  126.400   31.001  114.760   12.070  297.500   41.347  295.360   15.834 2.140228 44.27485 
1 1 1   -4   19   23 o  183.472   19.450   45.052   9.1027   25.120   28.930   47.242   9.5898  140.975   54.947  187.747   20.028 -46.77165 58.48381 
1 1 1   -4   19   24 o   64.434   27.829  -0.1600   8.4903   1.0130   27.982  -0.2790   8.9104  111.340   49.237   65.720   28.447 45.61929 56.86371 
1 1 1   -4   19   25 o  221.149   19.598   65.742   11.110   26.420   29.184   72.407   12.015  138.763   54.854  231.905   20.203 -93.14165 58.45616 
1 1 1   -4   19   26 f   50.181   22.164  -1.3074   5.6531   10.982   8.3212 -11.8411   7.7037   89.990   30.230   44.683   21.635 45.30642 37.17441 
1 1 1   -4   19   27 o  239.917   13.848   76.206   8.5696   87.185   13.489   68.776   11.097  253.362   20.735  225.635   19.168 27.72658 28.23735 
1 1 1   -4   19   28 o   55.892   24.224  -0.1587   6.4783   11.331   9.4711 -10.2606   8.8808   91.414   32.194   50.863   24.258 40.55096 40.31004 
1 1 1   -4   19   29 o   51.674   22.955  -1.4636   6.1496   10.020   8.4705 -14.2627   8.9425   86.134   30.434   47.036   22.897 39.09885 38.08551 
1 1 1   -4   19   30 o   91.250   42.171  -4.9100   23.408  -4.9100   23.408   0.0000   0.0000   91.250   42.171  ?   ?  0.000000 42.17133 
1 1 1   -4   19   31 o   43.860   20.665  -5.7198   6.0779 -13.4719   8.4461   2.6061   8.7531   45.373   22.124   68.114   28.802 -22.74067 36.31828 
1 1 1   -4   19   32 o  163.070   18.876   37.021   7.8260   43.255   11.675   31.933   10.546  170.366   27.383  144.669   29.151 25.69754 39.99475 
1 1 1   -4   19   33 o  146.196   19.666   30.220   7.2583   31.316   11.317   29.454   9.4603  139.883   31.936  139.264   27.201 0.6180878 41.94961 
1 1 1   -4   19   34 o  127.679   21.139   23.618   6.7467   26.408   10.753   21.807   8.6642  126.413   32.620  117.522   28.708 8.891357 43.45370 
1 1 1   -4   19   35 o   75.456   26.934   8.2979   6.6506  -0.2666   10.614   13.834   8.5334   65.862   29.640   92.369   30.604 -26.50688 42.60472 
1 1 1   -4   19   36 o   68.617   26.970   5.9210   7.0173   10.641   10.378   1.9448   9.5251   83.685   32.828   65.906   28.952 17.77919 43.77121 
1 1 1   -4   19   37 o  128.791   25.368   25.980   8.1618   24.043   11.899   27.701   11.216  112.847   36.052  124.255   33.904 -11.40825 49.48963 
1 1 1   -4   19   38 o   57.702   25.995  -0.1129   8.1896  -2.3710   11.651   2.0919   11.513   63.077   29.358   68.209   30.767 -5.131966 42.52619 
1 1 1   -4   19   39 o   70.248   28.882   6.9314   8.4461  -2.0732   11.760   16.526   12.139   62.448   29.207   90.595   35.514 -28.14713 45.98180 
1 1 1   -4   19   40 o   72.805   35.637  -4.2800   22.543  -4.2800   22.543   0.0000   0.0000   72.805   35.637  ?   ?  0.000000 35.63745 
1 1 1   -4   19   41 o   48.104   22.996  -5.5922   8.0789  -6.1430   11.443  -5.0447   11.408   55.870   26.880   56.775   27.190 -0.9047813 38.23416 
1 1 1   -4   19   42 o   60.337   27.143   2.8531   8.8915   11.307   12.730  -5.2002   12.425   75.711   33.359   57.608   27.790 18.10357 43.41769 
1 1 1   -4   19   43 o   82.411   29.241   13.852   7.8271   2.9668   10.544   27.211   11.682   61.675   28.433  105.234   35.816 -43.55964 45.72961 
1 1 1   -4   19   44 o  129.057   26.794   30.995   8.6641   31.881   12.513   30.178   12.008  108.458   37.068  106.924   36.314 1.533890 51.89118 
1 1 1   -4   20    1 o  530.647   11.369  365.463   15.627  382.451   23.078  351.076   21.238  542.222   16.431  519.594   15.779 22.62817 22.78117 
1 1 1   -4   20    2 o  506.785   11.648  333.374   15.290  353.264   22.296  315.716   21.009  521.101   16.518  492.636   16.463 28.46460 23.32158 
1 1 1   -4   20    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   20    4 o  559.172   11.323  405.834   16.400  368.756   22.405  448.629   24.070  532.410   16.246  587.313   15.822 -54.90314 22.67751 
1 1 1   -4   20    5 o  448.113   11.915  260.707   13.831  251.123   19.957  269.565   19.185  439.175   17.543  455.182   16.272 -16.00772 23.92751 
1 1 1   -4   20    6 o  785.911   11.829  801.932   24.081  829.827   35.166  777.301   33.044  798.415   17.004  772.846   16.506 25.56891 23.69769 
1 1 1   -4   20    7 f  278.962   16.098  101.596   11.583   96.199   16.755  106.537   16.031  270.053   24.209  284.748   21.903 -14.69522 32.64685 
1 1 1   -4   20    8 o  311.269   14.918  126.012   12.028  114.014   16.943  138.202   17.078  294.487   22.379  324.762   20.405 -30.27484 30.28524 
1 1 1   -4   20    9 o  560.891   12.058  408.618   17.519  422.441   25.529  396.313   24.086  569.440   17.308  551.632   16.856 17.80768 24.15987 
1 1 1   -4   20   10 f  284.610   16.655  105.864   12.225  107.310   17.876  104.594   16.755  285.091   24.443  281.708   23.166 3.382141 33.67716 
1 1 1   -4   20   11 o  115.180   34.282   17.877   10.987   25.018   16.129   11.694   15.008  136.045   41.764  106.696   40.069 29.34912 57.87684 
1 1 1   -4   20   12 o  521.942   17.608  355.340   23.806   0.0000   0.0000  355.340   23.806  ?   ?   521.942   17.608 0.000000 17.60842 
1 1 1   -4   20   13 o  173.200   25.291   40.246   11.012   42.738   15.671   37.816   15.477  176.007   35.596  165.037   37.106 10.97043 51.41905 
1 1 1   -4   20   14 o  534.149   13.080  371.186   18.097   0.0000   0.0000  371.186   18.097  ?   ?   534.149   13.080 0.000000 13.07952 
1 1 1   -4   20   15 o  278.682   19.232  102.107   13.798   0.0000   0.0000  102.107   13.798  ?   ?   278.682   19.232 0.000000 19.23225 
1 1 1   -4   20   16 o  241.191   16.318   76.299   10.135   55.620   24.450   80.589   11.136  196.612   48.346  247.686   17.470 -51.07483 51.40586 
1 1 1   -4   20   17 o  190.200   38.015   50.664   18.074   36.300   29.066   59.720   23.079  162.965   56.458  204.402   44.824 -41.43721 72.08783 
1 1 1   -4   20   18 f  351.427   15.054  161.318   13.704  122.400   28.149  173.407   15.688  297.767   37.314  364.016   16.638 -66.24951 40.85544 
1 1 1   -4   20   19 o  564.133   13.764  415.487   20.113  324.700   36.307  455.683   24.158  491.481   28.643  590.043   15.807 -98.56216 32.71514 
1 1 1   -4   20   20 f  276.484   15.299  100.421   10.914   72.240   30.421  104.584   11.692  217.352   54.215  281.968   16.075 -64.61612 56.54797 
1 1 1   -4   20   21 o  337.934   13.457  149.404   11.779  116.600   32.280  154.443   12.652  281.566   45.836  343.383   14.224 -61.81732 47.99226 
1 1 1   -4   20   22 o  171.106   22.490   39.758   9.7265 -35.8900   27.811   50.300   10.382   85.374   41.280  193.263   21.081 -107.8892 46.35167 
1 1 1   -4   20   23 o  187.467   19.149   47.199   9.1680   29.080   27.862   49.399   9.7087  142.558   54.350  191.576   19.853 -49.01846 57.86243 
1 1 1   -4   20   24 o  176.357   20.020   42.117   8.9835   69.950   28.982   39.159   9.4489  204.747   53.906  169.186   22.088 35.56169 58.25616 
1 1 1   -4   20   25 o  111.741   29.212   18.098   8.5503   9.7920   27.689   18.974   8.9896  115.862   50.149  114.189   30.002 1.673058 58.43812 
1 1 1   -4   20   26 o   85.440   30.668   9.4083   8.6335   24.500   27.173   7.7137   9.1053  130.454   52.475   81.955   31.112 48.49932 61.00436 
1 1 1   -4   20   27 o   53.650   24.742  -5.0502   7.9945 -47.0100   26.516  -0.8547   8.3847   74.284   36.794   61.711   27.135 12.57265 45.71814 
1 1 1   -4   20   28 o   84.940   31.379   9.2897   9.1303   0.0000   0.0000   9.2897   9.1303  ?   ?    84.940   31.379 0.000000 31.37939 
1 1 1   -4   20   29 f   69.548   33.776 -23.2900   19.153 -23.2900   19.153   0.0000   0.0000   69.548   33.776  ?   ?  0.000000 33.77649 
1 1 1   -4   20   30 o   88.465   25.341   11.534   6.1042   10.037   8.8051   12.920   8.4699   85.052   30.910   92.876   30.477 -7.823830 43.40780 
1 1 1   -4   20   31 o   98.493   26.150   14.640   6.7833   13.740   10.976   15.197   8.6281   94.928   34.509   98.757   30.584 -3.828758 46.11137 
1 1 1   -4   20   32 o  184.195   16.613   46.739   7.8411   50.798   11.739   43.469   10.536  185.397   25.088  171.969   24.333 13.42801 34.95003 
1 1 1   -4   20   33 o  272.847   13.186  100.216   9.3190  100.228   14.386  100.207   12.232  264.478   21.177  268.337   17.698 -3.858429 27.59876 
1 1 1   -4   20   34 o  144.148   20.658   30.130   7.4929   33.211   11.934   28.126   9.6266  140.076   33.368  132.768   28.819 7.307663 44.09030 
1 1 1   -4   20   35 o  140.468   22.051   29.294   7.7591   28.556   11.036   30.016   10.911  128.626   32.970  133.040   32.043 -4.413757 45.97591 
1 1 1   -4   20   36 o   59.247   26.011   1.2613   7.6778   7.6613   10.974  -4.8755   10.746   77.058   32.398   59.007   27.700 18.05077 42.62546 
1 1 1   -4   20   37 o   49.728   23.260  -3.9973   7.4613  -6.9811   10.258  -0.6451   10.873   54.781   26.111   63.348   29.082 -8.566860 39.08340 
1 1 1   -4   20   38 o   59.940   25.927   2.8255   7.3912  -6.0927   9.5333   16.265   11.703   52.934   25.214   90.194   35.005 -37.26010 43.14063 
1 1 1   -4   20   39 o   61.493   30.229 -12.7500   16.765 -12.7500   16.765   0.0000   0.0000   61.493   30.229  ?   ?  0.000000 30.22875 
1 1 1   -4   20   40 o   66.409   30.785   2.8359   12.615   2.8359   12.615   0.0000   0.0000   66.409   30.785  ?   ?  0.000000 30.78507 
1 1 1   -4   20   41 o   72.264   29.551   9.5913   8.7826   18.323   12.735   1.6718   12.128   86.365   35.481   63.331   29.633 23.03378 46.22786 
1 1 1   -4   20   42 o  113.647   30.233   25.817   9.0555   41.519   12.655   9.3403   12.964  136.198   35.506   71.091   32.299 65.10667 47.99903 
1 1 1   -4   20   43 o   67.548   28.716   8.7708   8.7782   10.817   13.442   7.2495   11.591   70.620   32.389   66.041   30.211 4.578796 44.29119 
1 1 1   -4   20   44 o   67.890   27.940   9.7973   7.9144  -0.1200   11.306   19.328   11.083   56.085   26.915   82.381   33.381 -26.29626 42.87973 
1 1 1   -4   21    1 o  301.608   14.752  118.315   11.525  107.080   17.159  127.550   15.556  285.084   23.444  312.099   19.337 -27.01566 30.39002 
1 1 1   -4   21    2 o  173.691   22.142   40.066   9.7353   37.662   14.013   42.308   13.535  165.828   33.771  176.708   30.682 -10.88063 45.62778 
1 1 1   -4   21    3 o  612.984   11.524  487.935   18.298  473.143   25.453  503.758   26.324  602.829   16.300  622.019   16.338 -19.19006 23.07867 
1 1 1   -4   21    4 o  146.481   37.655   29.650   14.366   0.0000   0.0000   29.650   14.366  ?   ?   146.481   37.655 0.000000 37.65475 
1 1 1   -4   21    5 o  324.098   14.454  136.629   12.135  140.633   17.958  133.264   16.461  327.320   21.296  318.841   20.033 8.479248 29.23800 
1 1 1   -4   21    6 o  244.503   17.748   78.344   11.164   84.085   16.638   73.642   15.057  251.751   25.882  235.618   25.055 16.13312 36.02295 
1 1 1   -4   21    7 o  292.703   15.936  111.902   12.037  101.678   17.829  120.465   16.316  277.202   25.103  302.833   20.928 -25.63123 32.68240 
1 1 1   -4   21    8 o  277.993   16.640  101.071   11.927  121.578   18.287   85.891   15.734  303.630   23.433  254.750   24.131 48.87947 33.63621 
1 1 1   -4   21    9 o  299.248   15.456  116.941   11.940  114.937   17.783  118.586   16.111  295.089   23.459  300.353   20.837 -5.263947 31.37650 
1 1 1   -4   21   10 o  288.057   15.916  108.466   11.830  111.230   17.659  106.216   15.933  290.114   23.707  283.892   21.834 6.222412 32.22933 
1 1 1   -4   21   11 o  355.273   14.886  164.421   13.699  169.117   21.294  161.106   17.892  358.153   23.076  350.357   19.797 7.796478 30.40415 
1 1 1   -4   21   12 o  119.867   37.148   19.357   12.727   18.850   23.726   19.562   15.080  132.385   50.230  122.488   40.688 9.897186 64.64212 
1 1 1   -4   21   13 o  384.553   19.940  194.291   19.795  205.000   27.572  182.900   28.436  392.647   27.278  369.784   29.944 22.86340 40.50637 
1 1 1   -4   21   14 o  134.355   37.137   25.177   13.356   8.1170   26.405   31.042   15.483  121.752   50.653  148.511   39.544 -26.75852 64.26037 
1 1 1   -4   21   15 o  278.513   20.197  102.395   14.472  100.600   26.822  103.133   17.188  269.057   39.676  278.428   24.069 -9.371399 46.40627 
1 1 1   -4   21   16 o  203.061   31.472   56.555   16.018   80.060   29.336   46.570   19.120  234.149   49.894  180.466   41.734 53.68254 65.04692 
1 1 1   -4   21   17 o   72.741   28.364   4.5694   7.7112  -0.0170   20.418   5.3324   8.3279   99.100   42.979   76.460   29.570 22.63967 52.16850 
1 1 1   -4   21   18 o  230.512   18.070   70.291   10.703   15.380   29.471   78.634   11.487  132.219   54.107  243.814   18.323 -111.5951 57.12512 
1 1 1   -4   21   19 o  199.094   20.013   52.938   10.181   15.740   30.293   57.674   10.810  132.373   54.592  207.787   20.345 -75.41374 58.25987 
1 1 1   -4   21   20 o  164.545   24.181   37.012   9.9989 -41.5100   26.693   49.829   10.784   80.382   39.224  192.129   22.070 -111.7472 45.00658 
1 1 1   -4   21   21 o  170.366   20.092   39.147   8.6961   15.510   21.638   43.700   9.4968  118.403   47.098  179.885   20.763 -61.48295 51.47106 
1 1 1   -4   21   22 o  138.151   26.508   26.854   9.1410   28.230   24.927   26.640   9.8255  138.591   51.719  136.763   28.653 1.827759 59.12590 
1 1 1   -4   21   23 o   74.973   29.599   5.1892   8.4867   13.970   26.029   4.1448   8.9773  118.957   49.949   73.965   30.017 44.99257 58.27494 
1 1 1   -4   21   24 o   88.605   27.174   11.059   6.8302   29.850   26.516   9.7238   7.0688  137.895   52.915   84.373   27.850 53.52177 59.79610 
1 1 1   -4   21   25 o  115.583   29.250   19.604   8.7647   55.950   24.427   14.234   9.3900  180.333   50.361   99.301   32.058 81.03258 59.69821 
1 1 1   -4   21   26 o  218.349   17.917   64.519   10.044   45.790   22.609   69.124   11.211  161.656   49.417  225.232   19.406 -63.57614 53.09059 
1 1 1   -4   21   27 o   98.087   30.508   14.262   8.5749   0.0000   0.0000   14.262   8.5749  ?   ?    98.087   30.508 0.000000 30.50842 
1 1 1   -4   21   28 o   60.881   29.934 -26.7208   16.464 -49.8000   23.561  -4.6950   23.017   65.862   32.949   89.858   41.630 -23.99682 53.09150 
1 1 1   -4   21   29 o   54.253   25.096  -4.8143   8.3185   21.740   24.083  -8.4115   8.8641  115.413   48.225   51.834   24.581 63.57889 54.12838 
1 1 1   -4   21   30 o   84.066   30.882   10.076   8.8235 -20.8400   23.479   15.161   9.5215   76.924   37.367   97.995   32.321 -21.07054 49.40611 
1 1 1   -4   21   31 f   65.534   25.539   4.9319   6.2490   10.555   8.4300  -1.9277   9.3104   84.179   30.295   60.701   27.497 23.47743 40.91294 
1 1 1   -4   21   32 o   69.272   27.245   5.7903   7.1654   3.7763   11.391   7.1090   9.2174   73.729   32.038   75.934   30.556 -2.204651 44.27320 
1 1 1   -4   21   33 o   75.381   27.678   8.2711   7.0865   0.0781   10.875   14.317   9.3422   66.522   29.964   92.751   32.015 -26.22861 43.84951 
1 1 1   -4   21   34 o   63.841   26.604   3.8186   7.3009   2.7659   10.144   4.9500   10.516   68.189   29.919   72.460   31.132 -4.271156 43.17781 
1 1 1   -4   21   35 o   61.168   26.571   2.1722   7.8290   4.1419   11.112   0.2306   11.032   71.214   31.278   65.569   29.792 5.645393 43.19583 
1 1 1   -4   21   36 o   68.424   27.777   6.1660   7.6896  -6.9840   10.284   22.839   11.580   54.712   26.096  107.472   35.654 -52.76005 44.18393 
1 1 1   -4   21   37 o   61.369   26.714   3.0182   7.9465   8.1740   10.970  -2.6744   11.527   74.706   31.938   61.079   28.678 13.62717 42.92389 
1 1 1   -4   21   38 o   91.695   36.128   18.889   12.620   26.190   16.257   7.8170   20.020   99.253   40.352   78.002   36.977 21.25166 54.73164 
1 1 1   -4   21   39 f   67.889   30.216   5.9192   10.705 -13.3500   22.582   11.505   12.158   66.174   32.973   77.003   33.280 -10.82954 46.84819 
1 1 1   -4   21   40 o   79.007   29.648   12.469   8.2136   17.828   12.948   8.8594   10.625   84.696   35.372   70.948   30.887 13.74846 46.95944 
1 1 1   -4   21   41 o   56.867   26.172   1.3667   8.8817   4.5028   12.854  -1.4985   12.286   65.341   30.552   59.026   28.255 6.315804 41.61474 
1 1 1   -4   21   42 o   69.972   28.405   9.9333   8.0410   6.4009   10.497   14.950   12.510   64.200   29.128   75.961   33.279 -11.76072 44.22574 
1 1 1   -4   21   43 o   93.127   30.767   20.293   8.6267   14.102   12.316   26.257   12.087   72.047   32.213   92.979   35.715 -20.93169 48.09582 
1 1 1   -4   22    1 o  565.861   11.787  416.066   17.276  433.508   25.669  401.623   23.359  576.539   17.188  555.137   16.244 21.40192 23.64986 
1 1 1   -4   22    2 o  634.163   11.805  522.588   19.392  543.339   28.564  504.846   26.411  645.465   17.084  622.353   16.383 23.11145 23.67031 
1 1 1   -4   22    3 o  389.602   13.549  197.459   13.674  197.845   19.624  197.095   19.064  388.580   19.559  388.427   18.948 0.1531677 27.23167 
1 1 1   -4   22    4 o  439.093   18.990  251.914   21.599  251.914   21.599   0.0000   0.0000  439.093   18.990  ?   ?  0.000000 18.99031 
1 1 1   -4   22    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   22    6 o  473.383   19.063  292.947   23.375  292.947   23.375   0.0000   0.0000  473.383   19.063  ?   ?  0.000000 19.06272 
1 1 1   -4   22    7 o  309.034   16.293  124.902   12.996  126.992   19.634  123.271   17.339  309.698   24.680  305.779   22.038 3.918396 33.08740 
1 1 1   -4   22    8 o  289.859   16.769  110.021   12.537   90.269   18.503  126.784   17.046  259.815   27.933  310.220   21.343 -50.40402 35.15359 
1 1 1   -4   22    9 o  233.485   22.181   72.225   13.254   84.550   25.975   67.887   15.411  246.275   42.238  225.086   26.970 21.18842 50.11419 
1 1 1   -4   22   10 o  141.167   38.855   27.859   14.656   48.900   24.174   15.630   18.429  184.283   49.563  118.993   44.457 65.29024 66.58073 
1 1 1   -4   22   11 o  137.154   38.362   26.281   14.163  -5.1126   18.163   74.980   22.622   88.602   39.400  232.310   38.973 -143.7083 55.41911 
1 1 1   -4   22   12 o  382.761   18.975  192.087   18.813   0.0000   0.0000  192.087   18.813  ?   ?   382.761   18.975 0.000000 18.97507 
1 1 1   -4   22   13 o  275.901   18.274  100.220   12.986   82.249   20.013  113.290   17.067  245.497   32.251  292.160   22.731 -46.66232 39.45679 
1 1 1   -4   22   14 o  105.987   41.948   9.9202   17.086  -4.3620   25.997   20.780   22.669  106.649   47.295  132.048   49.313 -25.39833 68.32733 
1 1 1   -4   22   15 o  299.691   15.913  117.931   12.309  150.900   30.125  111.325   13.486  330.629   35.744  290.594   18.004 40.03476 40.02276 
1 1 1   -4   22   16 o  234.368   16.695   72.449   10.069   52.330   26.337   75.893   10.897  185.755   52.441  239.640   17.679 -53.88475 55.34060 
1 1 1   -4   22   17 o  243.009   16.221   77.901   10.152   74.890   29.653   78.301   10.805  220.812   52.595  243.346   17.253 -22.53474 55.35268 
1 1 1   -4   22   18 o  116.873   30.674   19.382   9.4035   38.110   25.184   16.348   10.137  158.234   52.583  108.105   33.096 50.12863 62.13108 
1 1 1   -4   22   19 o  276.329   15.294  100.798   10.905   60.460   27.020  108.646   11.918  194.506   52.436  286.620   16.119 -92.11453 54.85720 
1 1 1   -4   22   20 o  304.424   15.176  122.204   11.967  128.900   31.108  121.041   12.964  293.944   42.055  302.004   16.637 -8.059570 45.22637 
1 1 1   -4   22   21 o  246.981   16.613   81.266   10.567   48.220   29.685   86.060   11.307  167.354   57.093  253.900   17.296 -86.54614 59.65549 
1 1 1   -4   22   22 o  303.419   14.439  121.678   11.348   85.920   30.406  127.466   12.232  225.270   52.994  310.204   15.223 -84.93359 55.13695 
1 1 1   -4   22   23 o  227.673   17.589   69.739   10.293   27.870   28.503   76.017   11.037  134.600   53.884  237.508   18.076 -102.9083 56.83522 
1 1 1   -4   22   24 o  149.781   23.501   31.523   8.8179   40.920   26.453   30.348   9.3528  150.813   53.730  145.838   25.697 4.974930 59.55845 
1 1 1   -4   22   25 o  242.076   16.088   78.736   10.031   53.440   27.844   82.508   10.752  166.893   55.282  247.384   16.881 -80.49112 57.80161 
1 1 1   -4   22   26 o  117.102   31.069   20.915   9.5796   0.0000   0.0000   20.915   9.5796  ?   ?   117.102   31.069 0.000000 31.06911 
1 1 1   -4   22   27 o  118.090   43.815   23.539   17.839   18.820   26.127   27.660   24.417  114.461   49.121  124.525   49.865 -10.06374 69.99556 
1 1 1   -4   22   28 f   52.051   24.268  -5.4978   8.0164 -44.7300   24.271  -0.6941   8.4930   67.921   33.897   60.867   27.011 7.053482 43.34293 
1 1 1   -4   22   29 o   74.094   28.069   7.1134   7.4016 -16.0500   19.092   11.211   8.0296   71.473   34.471   86.272   29.686 -14.79888 45.49234 
1 1 1   -4   22   30 o   53.969   24.746  -3.1237   7.8403   0.7838   22.305  -3.6746   8.3748   87.515   40.694   55.028   25.358 32.48704 47.94848 
1 1 1   -4   22   31 o   60.023   26.202   1.0762   7.6929   13.520   24.129  -0.3318   8.1164   97.965   44.332   58.829   26.237 39.13654 51.51422 
1 1 1   -4   22   32 o  136.369   27.978   29.645   9.5516   30.430   23.641   29.492   10.442  113.246   47.580  133.210   30.866 -19.96357 56.71432 
1 1 1   -4   22   33 o   48.176   22.334  -3.4007   6.6403   3.9040   8.8531 -12.7960   10.040   67.160   28.701   49.652   24.191 17.50752 37.53624 
1 1 1   -4   22   34 o  119.509   27.637   23.501   8.3849   13.295   11.981   33.298   11.739   87.246   34.933  136.118   33.516 -48.87122 48.41059 
1 1 1   -4   22   35 o   63.952   27.005   4.2524   7.6779   1.9418   10.352   7.0779   11.447   65.226   29.320   74.568   32.260 -9.342079 43.59331 
1 1 1   -4   22   36 o   70.596   28.642   7.4857   8.1707   11.980   11.634   3.1118   11.478   81.163   33.682   67.457   30.546 13.70544 45.47063 
1 1 1   -4   22   37 o   52.800   25.079  -4.5916   9.2972 -28.3300   14.526   11.882   12.100   49.362   24.855   79.000   33.653 -29.63765 41.83619 
1 1 1   -4   22   38 o   69.378   31.876   5.7622   13.100   7.8710   22.979   4.7470   15.944   75.956   36.914   70.524   33.302 5.432663 49.71542 
1 1 1   -4   22   39 o   92.536   29.984   17.440   8.2089   23.491   12.562   12.931   10.845   94.978   36.427   77.315   32.338 17.66302 48.71011 
1 1 1   -4   22   40 o  111.998   28.701   24.430   8.3645   27.215   12.238   21.988   11.459  101.284   36.496   92.321   34.937 8.963036 50.52258 
1 1 1   -4   22   41 o   85.407   30.991   16.947   8.8464   21.609   12.160   11.707   12.894   86.888   35.049   71.021   32.246 15.86655 47.62608 
1 1 1   -4   22   42 o   78.168   30.585   15.200   8.9898   38.149   13.728  -2.0321   11.895  109.579   38.741   54.959   26.674 54.61992 47.03596 
1 1 1   -4   23    1 o  355.370   14.438  164.554   13.290  184.103   20.313  149.921   17.574  374.049   21.050  337.649   20.186 36.39990 29.16496 
1 1 1   -4   23    2 o  127.643   32.347   22.571   10.709   16.649   16.960   26.497   13.809  118.744   42.937  137.904   37.617 -19.16030 57.08418 
1 1 1   -4   23    3 o  272.462   17.372   97.391   12.196   91.142   19.370  101.496   15.699  260.491   29.210  277.104   22.054 -16.61316 36.60094 
1 1 1   -4   23    4 o  647.266   24.555  552.500   41.169  552.500   41.169   0.0000   0.0000  647.266   24.555  ?   ?  0.000000 24.55482 
1 1 1   -4   23    5 o  133.663   33.115   24.835   11.406   10.610   22.729   29.624   13.187  118.515   47.880  145.659   35.316 -27.14388 59.49542 
1 1 1   -4   23    6 o  190.569   32.385   49.812   15.414   54.800   23.507   46.050   20.417  195.317   47.026  179.683   44.176 15.63403 64.52150 
1 1 1   -4   23    7 o  347.584   19.607  158.937   17.581  173.400   25.912  146.600   23.932  360.283   27.985  331.035   28.178 29.24768 39.71345 
1 1 1   -4   23    8 o  482.157   14.479  303.253   18.084  295.290   22.579  317.500   30.201  474.756   18.361  490.395   23.775 -15.63925 30.03945 
1 1 1   -4   23    9 o  162.834   27.143   36.115   11.046   28.413   16.414   42.490   14.933  142.096   41.803  174.778   34.209 -32.68181 54.01579 
1 1 1   -4   23   10 o  335.724   15.720  147.346   13.671  141.921   20.168  151.958   18.594  326.650   24.004  338.996   21.283 -12.34613 32.08054 
1 1 1   -4   23   11 o  145.250   36.277   29.847   13.608   12.800   26.228   36.127   15.919  125.741   51.202  159.221   38.924 -33.48011 64.31725 
1 1 1   -4   23   12 o  203.282   33.935   57.459   17.239   57.620   25.306   57.320   23.548  197.050   49.611  197.710   46.722 -0.6598358 68.14843 
1 1 1   -4   23   13 o  118.240   37.619   19.235   12.967   0.5991   19.044   35.340   17.704   96.324   41.641  155.965   42.612 -59.64081 59.58008 
1 1 1   -4   23   14 o  212.103   21.926   60.288   11.873   60.823   16.962   59.774   16.625  209.106   32.360  207.427   31.968 1.679138 45.48759 
1 1 1   -4   23   15 o  343.522   18.901  156.367   16.754   92.120   30.558  183.978   20.033  247.107   49.467  371.792   20.886 -124.6843 53.69512 
1 1 1   -4   23   16 f  294.144   14.859  113.900   11.284   48.050   27.518  127.212   12.373  174.267   54.727  311.091   15.354 -136.8241 56.83980 
1 1 1   -4   23   17 o  291.765   14.519  111.901   10.973   94.440   27.159  115.307   11.996  251.630   43.226  295.398   15.734 -43.76884 46.00003 
1 1 1   -4   23   18 o  350.160   14.179  161.333   12.860  106.700   31.818  172.001   14.060  261.136   48.834  361.203   15.027 -100.0661 51.09371 
1 1 1   -4   23   19 o  255.373   15.352   86.514   10.108   19.320   29.115   95.723   10.778  128.554   53.311  268.578   15.559 -140.0241 55.53501 
1 1 1   -4   23   20 o  372.198   13.550  182.650   13.064  123.400   29.612  196.968   14.557  284.167   41.450  385.983   14.559 -101.8159 43.93253 
1 1 1   -4   23   21 o  129.768   27.326   24.283   8.8949 -14.6100   21.941   31.933   9.7303   83.406   39.287  149.952   25.993 -66.54610 47.10758 
1 1 1   -4   23   22 o  226.921   17.578   69.462   10.251   58.000   24.741   71.837   11.264  182.125   50.620  229.985   19.080 -47.86006 54.09622 
1 1 1   -4   23   23 o  190.196   20.564   49.837   9.9699   60.960   23.984   47.514   10.962  186.831   48.965  184.003   23.539 2.827881 54.32933 
1 1 1   -4   23   24 o  113.297   29.111   19.237   8.5893   16.250   22.891   19.726   9.2664  111.951   46.916  114.071   30.689 -2.120605 56.06139 
1 1 1   -4   23   25 o  115.998   28.818   20.317   8.6203   0.0000   0.0000   20.317   8.6203  ?   ?   115.998   28.818 0.000000 28.81799 
1 1 1   -4   23   26 o  249.618   25.775   90.433   16.426   81.490   23.175   99.460   23.284  218.253   42.522  248.295   37.359 -30.04253 56.60278 
1 1 1   -4   23   27 o  104.150   30.822   17.148   8.9005   10.200   18.708   19.181   10.119   95.423   41.262  108.881   33.012 -13.45876 52.84216 
1 1 1   -4   23   28 f   50.655   23.604  -4.8671   7.5666  -4.2650   22.212  -4.9461   8.0480   84.218   39.627   52.336   24.372 31.88119 46.52192 
1 1 1   -4   23   29 o   70.282   28.435   5.5158   8.0296  -0.6217   24.393   6.2617   8.5035   87.761   41.365   72.858   29.338 14.90321 50.71241 
1 1 1   -4   23   30 o  100.460   30.386   16.792   8.5810  -8.0630   23.756   20.521   9.2023   80.573   38.757  110.696   30.909 -30.12324 49.57279 
1 1 1   -4   23   31 o   89.795   29.989   13.407   8.1884  -5.7580   19.638   17.440   9.0089   75.574   36.051  100.825   31.256 -25.25137 47.71391 
1 1 1   -4   23   32 o   46.430   22.304  -8.1025   7.8078   6.8140   21.286 -10.4214   8.3928   85.642   39.800   46.181   22.412 39.46114 45.67643 
1 1 1   -4   23   33 o  133.533   24.539   28.052   8.1751   40.460   23.328   26.315   8.7286  117.867   48.175  126.396   27.446 -8.528877 55.44521 
1 1 1   -4   23   34 o   46.481   22.712 -11.5971   9.0378   2.6480   17.317 -16.9298   10.595   75.135   35.237   47.132   23.330 28.00314 42.25998 
1 1 1   -4   23   35 o   53.291   25.473  -6.1572   9.9087 -34.6600   21.813   1.2535   11.123   59.622   30.076   64.112   29.425 -4.489788 42.07623 
1 1 1   -4   23   36 o   43.958   21.380  -8.6593   7.7498  -5.7470   10.335 -12.4011   11.714   53.855   25.815   51.624   25.355 2.230633 36.18431 
1 1 1   -4   23   37 o   48.365   24.823 -64.7800   20.829 -64.7800   20.829   0.0000   0.0000   48.365   24.823  ?   ?  0.000000 24.82279 
1 1 1   -4   23   38 o   50.436   23.958  -3.3213   8.4879   4.0334   12.000 -10.6855   12.008   64.440   29.926   51.750   25.467 12.69015 39.29528 
1 1 1   -4   23   39 o   50.023   23.664  -2.3352   8.1181   16.876   13.009 -14.5868   10.389   79.324   34.354   45.151   22.476 34.17365 41.05323 
1 1 1   -4   23   40 o   54.518   25.056   1.7805   8.1017   8.3356   13.089  -2.2911   10.315   66.625   31.044   53.514   25.688 13.11116 40.29442 
1 1 1   -4   23   41 o   43.579   21.220  -6.0288   7.6957  -6.1199   10.051  -5.8998   11.965   48.665   23.816   51.921   25.526 -3.256378 34.91098 
1 1 1   -4   23   42 o   69.159   29.033   12.332   8.7905  -7.1022   12.210   33.246   12.666   50.004   24.803   98.195   36.823 -48.19111 44.39754 
1 1 1   -4   24    1 o  567.094   22.934  424.500   33.689   0.0000   0.0000  424.500   33.689  ?   ?   567.094   22.934 0.000000 22.93391 
1 1 1   -4   24    2 f  621.923   14.005  504.559   22.561  512.272   28.707  492.100   36.487  625.314   17.723  610.463   23.074 14.85114 29.09529 
1 1 1   -4   24    3 o  532.272   14.170  369.677   19.537  362.906   24.427  381.700   32.550  526.205   17.921  537.433   23.381 -11.22809 29.45931 
1 1 1   -4   24    4 o  206.644   20.544   56.716   10.851   63.590   16.621   51.610   14.325  215.883   30.577  194.514   29.343 21.36882 42.37900 
1 1 1   -4   24    5 o  316.499   15.487  130.949   12.697  128.412   19.501  132.816   16.728  310.388   24.453  317.024   20.480 -6.635284 31.89592 
1 1 1   -4   24    6 o  261.653   18.805   90.373   12.660   86.308   19.122   93.545   16.892  252.098   29.864  264.371   24.963 -12.27277 38.92281 
1 1 1   -4   24    7 f  383.651   14.412  192.282   14.322  187.351   21.757  196.053   19.026  375.775   22.454  386.166   19.020 -10.39081 29.42739 
1 1 1   -4   24    8 o  432.560   13.635  244.303   15.278  225.977   22.415  260.205   20.879  413.236   21.010  445.047   18.112 -31.81131 27.73883 
1 1 1   -4   24    9 o  376.334   16.982  185.868   16.554  197.200   30.289  181.041   19.767  380.780   30.978  369.686   20.726 11.09378 37.27178 
1 1 1   -4   24   10 o  156.684   40.650   35.599   16.639   30.610   27.295   38.550   20.990  149.749   54.422  161.565   47.198 -11.81660 72.03735 
1 1 1   -4   24   11 o  203.299   24.991   56.015   12.883   47.010   16.623   69.560   20.387  181.514   36.619  221.694   36.791 -40.17914 51.90893 
1 1 1   -4   24   12 o  346.525   21.652  160.214   19.337   0.0000   0.0000  160.214   19.337  ?   ?   346.525   21.652 0.000000 21.65154 
1 1 1   -4   24   13 o   94.577   35.915   9.8017   12.136   26.594   18.337  -3.2889   16.190  135.637   44.858   83.611   37.189 52.02582 58.26928 
1 1 1   -4   24   14 o  234.849   19.878   73.827   11.979   91.853   19.547   62.987   15.159  257.206   29.898  213.342   28.116 43.86450 41.04112 
1 1 1   -4   24   15 o  244.812   20.282   80.512   12.746   66.329   18.068   94.559   17.982  215.534   33.447  262.044   26.872 -46.51015 42.90461 
1 1 1   -4   24   16 o   89.380   36.638   6.2022   13.542  -8.8060   26.030   11.771   15.856   97.937   44.974  103.180   40.546 -5.242966 60.55270 
1 1 1   -4   24   17 o   74.137   27.664   6.2155   7.1317   6.9440   25.259   6.1524   7.4341  110.128   47.782   74.684   28.170 35.44453 55.46740 
1 1 1   -4   24   18 o  117.068   30.704   20.120   9.4258 -44.2700   23.818   32.077   10.264   70.816   35.040  149.930   27.439 -79.11399 44.50542 
1 1 1   -4   24   19 o  152.607   22.255   32.346   8.5385   46.240   28.863   31.014   8.9386  159.358   56.193  148.563   24.050 10.79501 61.12297 
1 1 1   -4   24   20 o  187.375   22.047   48.629   10.496 -31.1800   28.755   60.897   11.274   85.257   41.401  210.542   20.950 -125.2849 46.39987 
1 1 1   -4   24   21 o  151.634   24.297   32.632   9.2211   13.150   27.123   35.179   9.8051  113.703   49.423  157.210   24.908 -43.50745 55.34515 
1 1 1   -4   24   22 o  159.317   23.252   35.895   9.3130   6.2820   25.244   40.560   10.020  103.645   46.245  169.377   23.468 -65.73213 51.85887 
1 1 1   -4   24   23 f   82.410   31.194   8.6474   9.1370   0.0000   0.0000   8.6474   9.1370  ?   ?    82.410   31.194 0.000000 31.19448 
1 1 1   -4   24   24 o  112.101   33.203   19.918   10.325   0.0000   0.0000   19.918   10.325  ?   ?   112.101   33.203 0.000000 33.20300 
1 1 1   -4   24   25 o  142.607   36.985   34.089   13.777   36.140   24.167   33.101   16.769  132.426   50.587  134.829   42.769 -2.403534 66.24359 
1 1 1   -4   24   26 o   90.931   31.198   12.849   8.8652   17.890   24.122   12.062   9.5323  106.443   46.433   89.048   32.191 17.39509 56.50087 
1 1 1   -4   24   27 o  177.270   20.994   45.207   9.4526   78.110   26.074   40.228   10.143  189.809   51.653  164.202   24.604 25.60677 57.21388 
1 1 1   -4   24   28 o  120.601   26.944   22.848   8.2049   24.850   24.805   22.602   8.6944  108.378   47.187  118.563   28.633 -10.18515 55.19449 
1 1 1   -4   24   29 o   73.352   28.440   7.4580   7.7190   5.5730   20.960   7.7538   8.3025   86.314   39.896   74.800   29.356 11.51469 49.53250 
1 1 1   -4   24   30 o  101.236   29.912   17.455   8.3882  -1.8550   17.172   23.506   9.6131   74.337   34.935  116.714   31.198 -42.37694 46.83738 
1 1 1   -4   24   31 o   79.645   29.673   10.288   8.1988   32.980   22.630   6.8600   8.7964  110.654   46.524   72.032   29.528 38.62181 55.10348 
1 1 1   -4   24   32 o   40.603   19.927 -11.2532   7.1924   1.7830   22.045 -12.8062   7.6088   79.506   38.001   40.822   20.125 38.68414 43.00116 
1 1 1   -4   24   33 o   46.571   22.384  -7.3021   7.8877  -2.1710   17.444  -8.6209   8.8434   70.564   33.749   48.290   23.332 22.27413 41.02867 
1 1 1   -4   24   34 o   78.616   30.138   11.286   8.5964  -8.5280   22.564   14.650   9.2976   70.137   34.592   86.441   31.709 -16.30367 46.92631 
1 1 1   -4   24   35 o   58.289   26.609   1.0957   8.9322   9.7490   24.183  -0.2713   9.6119   77.834   37.836   57.813   26.825 20.02114 46.38044 
1 1 1   -4   24   36 o   64.351   29.891   3.3269   11.982  -5.2810   22.293   6.8240   14.209   67.314   33.411   69.827   32.473 -2.513374 46.59150 
1 1 1   -4   24   37 o   47.244   23.360 -12.2192   10.519 -21.8500   22.908  -9.6459   11.841   60.053   30.356   51.716   25.419 8.336529 39.59344 
1 1 1   -4   24   38 o   51.536   24.814  -3.9543   9.7956  -9.5430   16.489  -0.9063   12.177   57.449   28.551   57.999   27.860 -0.5509033 39.89187 
1 1 1   -4   24   39 o   51.274   23.897   0.1604   7.7629  -6.5808   10.443   8.4848   11.605   49.697   24.311   65.726   30.126 -16.02953 38.71189 
1 1 1   -4   24   40 o   40.336   19.997 -10.2680   7.8951  -5.4482   12.653 -13.3412   10.103   52.705   25.977   43.585   21.771 9.119366 33.89329 
1 1 1   -4   24   41 o   42.246   20.952  -9.2862   8.6991 -14.8238   12.943  -4.7239   11.748   46.698   23.507   50.542   24.934 -3.844280 34.26727 
1 1 1   -4   25    1 o  312.383   16.472  128.338   13.282  145.374   19.377  113.240   18.241  330.294   22.787  290.693   24.452 39.60120 33.42435 
1 1 1   -4   25    2 o  183.765   25.085   45.789   11.628   73.787   17.919   25.419   15.284  231.872   30.580  133.809   40.572 98.06229 50.80523 
1 1 1   -4   25    3 o  315.611   15.912  130.904   12.967  140.540   20.043  123.968   17.005  324.108   24.046  305.237   21.647 18.87024 32.35419 
1 1 1   -4   25    4 o  419.995   13.808  230.604   15.022  230.680   22.598  230.544   20.107  417.039   20.986  418.375   18.554 -1.336060 28.01204 
1 1 1   -4   25    5 o  335.934   17.256  148.735   14.965   86.280   24.443  186.183   18.927  246.097   39.694  375.055   19.550 -128.9573 44.24713 
1 1 1   -4   25    6 o  286.314   25.347  110.505   18.604   95.300   26.491  125.300   26.132  257.772   41.052  300.404   34.192 -42.63168 53.42590 
1 1 1   -4   25    7 o  502.401   18.886  333.277   24.578  344.200   36.059  323.800   33.589  504.380   27.706  490.013   26.562 14.36758 38.38186 
1 1 1   -4   25    8 o  154.286   33.672   33.936   13.079   39.131   16.675   25.630   21.084  163.572   39.746  135.909   48.016 27.66254 62.33242 
1 1 1   -4   25    9 o  233.503   20.375   72.904   12.200   71.220   18.286   74.256   16.378  225.663   32.195  232.659   27.723 -6.996231 42.48637 
1 1 1   -4   25   10 o  326.102   17.192  140.744   14.471  102.328   21.393  173.152   19.649  271.307   30.997  359.857   21.172 -88.55032 37.53774 
1 1 1   -4   25   11 o  169.223   27.296   39.842   11.558   39.052   18.099   40.386   15.019  160.695   42.739  166.581   35.867 -5.886124 55.79475 
1 1 1   -4   25   12 o  340.675   20.914  155.824   18.366   0.0000   0.0000  155.824   18.366  ?   ?   340.675   20.914 0.000000 20.91389 
1 1 1   -4   25   13 o  121.402   34.512   21.612   11.366   5.9285   16.664   35.256   15.543   95.389   40.005  152.818   39.104 -57.42878 55.94199 
1 1 1   -4   25   14 o   90.681   35.705   8.5145   12.320  -5.4473   18.545   19.543   16.482   85.189   38.676  117.520   42.353 -32.33004 57.35535 
1 1 1   -4   25   15 o  277.895   16.605  103.044   11.898   83.699   17.778  118.738   16.013  243.306   28.765  295.814   21.035 -52.50766 35.63581 
1 1 1   -4   25   16 o  307.234   20.874  128.402   16.513  110.100   30.086  136.292   19.755  262.051   46.001  313.789   24.499 -51.73740 52.11767 
1 1 1   -4   25   17 o  323.152   14.542  138.535   12.173  107.900   31.938  143.742   13.167  252.096   50.667  328.658   15.466 -76.56256 52.97504 
1 1 1   -4   25   18 o  166.629   22.846   38.833   9.6011   33.360   27.827   39.572   10.229  138.391   53.904  167.453   24.292 -29.06216 59.12511 
1 1 1   -4   25   19 o  159.303   22.571   35.616   9.0531   14.780   22.942   39.459   9.8526  111.051   46.775  167.358   23.365 -56.30754 52.28603 
1 1 1   -4   25   20 o   58.475   26.544  -3.2623   8.7310   44.340   23.695 -10.7411   9.3919  153.731   51.000   51.751   24.754 101.9798 56.69047 
1 1 1   -4   25   21 o   65.676   27.233   2.9833   7.5964 -52.6300   25.803   8.2607   7.9487   68.836   34.444   79.488   29.294 -10.65212 45.21680 
1 1 1   -4   25   22 o   76.306   30.282   6.4542   8.9259   0.0000   0.0000   6.4542   8.9259  ?   ?    76.306   30.282 0.000000 30.28163 
1 1 1   -4   25   23 o   87.399   38.592   4.8168   17.128 -15.1600   25.781   20.600   22.916   84.176   40.461  111.731   46.888 -27.55491 61.93231 
1 1 1   -4   25   24 o   57.494   28.082 -18.7386   13.775  -2.3710   24.234 -26.5500   16.742   88.966   41.711   60.079   29.662 28.88748 51.18227 
1 1 1   -4   25   25 o   40.105   19.500  -9.6340   6.4334   8.2460   23.326 -11.1061   6.6930   94.649   43.126   39.758   19.452 54.89073 47.31030 
1 1 1   -4   25   26 o   44.223   21.431 -10.1070   7.6027   12.000   22.958 -12.8299   8.0573   95.661   43.270   43.429   21.268 52.23121 48.21477 
1 1 1   -4   25   27 o   71.481   28.315   6.6277   7.7911 -12.2700   20.722   9.7390   8.4081   73.255   35.472   79.932   29.997 -6.677361 46.45481 
1 1 1   -4   25   28 o  104.866   28.736   18.336   8.0369   24.530   19.402   17.053   8.8301  104.993   43.528   99.311   30.970 5.682549 53.42174 
1 1 1   -4   25   29 o  112.657   29.798   21.748   8.8295   13.040   22.152   23.393   9.6273   90.359   41.492  115.313   31.389 -24.95406 52.02778 
1 1 1   -4   25   30 o   79.384   29.927   10.449   8.3879   0.4922   21.997   12.143   9.0735   79.056   37.834   83.648   31.206 -4.591980 49.04274 
1 1 1   -4   25   31 o   58.660   25.693   2.0418   7.4525 -10.1000   22.339   3.5622   7.9054   71.685   35.169   62.547   26.934 9.138134 44.29789 
1 1 1   -4   25   32 o  110.190   29.504   21.977   8.5890  -1.8170   18.311   28.689   9.7252   70.771   34.038  125.924   30.204 -55.15246 45.50683 
1 1 1   -4   25   33 o   96.593   31.427   18.577   9.0132   7.4900   23.349   20.518   9.7705   77.712   37.636   99.877   32.731 -22.16517 49.87754 
1 1 1   -4   25   34 o   67.642   28.787   7.2499   8.8385   6.7130   23.914   7.3348   9.5120   74.733   36.608   68.259   29.469 6.474098 46.99490 
1 1 1   -4   25   35 o   52.639   26.522 -24.4500   16.690   0.0000   0.0000 -24.4500   16.690  ?   ?    52.639   26.522 0.000000 26.52208 
1 1 1   -4   25   36 o   49.747   24.356  -8.2004   10.546   17.460   23.609 -14.5977   11.788   74.920   36.630   48.053   23.924 26.86749 43.75039 
1 1 1   -4   25   37 o   65.465   28.526   8.1615   9.0816   4.1560   19.335   9.2953   10.287   65.585   32.284   67.389   29.824 -1.804260 43.95158 
1 1 1   -4   25   38 o  112.689   30.607   28.031   9.1654   45.880   24.232   25.052   9.9010   84.802   40.340   99.563   32.965 -14.76081 52.09581 
1 1 1   -4   25   39 o   52.469   24.806   0.8653   8.8953   14.460   20.260  -2.3811   9.9006   66.457   32.777   50.691   24.539 15.76543 40.94544 
1 1 1   -4   25   40 o   65.353   28.980   11.633   9.7589  -3.7220   23.301   14.899   10.747   57.492   29.226   69.165   30.553 -11.67271 42.28057 
1 1 1   -4   26    1 o  177.514   39.116   46.135   17.501   73.460   26.465   24.900   23.330  219.713   47.856  135.501   50.140 84.21239 69.31229 
1 1 1   -4   26    2 o  350.636   21.377  164.395   19.323  192.600   27.873  138.300   26.811  374.872   28.929  314.438   33.430 60.43353 44.20912 
1 1 1   -4   26    3 o  291.324   19.857  113.189   14.895  118.571   19.528  105.700   23.034  295.337   25.784  274.642   33.041 20.69452 41.91105 
1 1 1   -4   26    4 o  308.750   20.367  127.338   16.197  108.948   20.365  159.000   26.721  281.504   28.312  338.826   30.781 -57.32266 41.82174 
1 1 1   -4   26    5 o  128.885   34.037   24.031   11.532   43.271   17.529   9.3496   15.312  170.633   40.301   99.287   39.579 71.34650 56.48627 
1 1 1   -4   26    6 o  116.827   33.472   19.623   10.649   24.174   14.990   14.986   15.132  128.553   40.395  109.104   40.379 19.44875 57.11572 
1 1 1   -4   26    7 o  344.629   15.062  156.410   13.445  139.116   20.582  169.283   17.758  319.539   25.068  356.159   19.321 -36.61948 31.64958 
1 1 1   -4   26    8 o  450.896   18.063  270.020   21.097   0.0000   0.0000  270.020   21.097  ?   ?   450.896   18.063 0.000000 18.06281 
1 1 1   -4   26    9 o  200.049   24.664   55.115   12.510   36.039   18.330   71.749   17.116  152.359   43.990  225.585   30.039 -73.22614 53.26795 
1 1 1   -4   26   10 o  275.972   18.655  102.077   13.257  105.497   19.990   99.391   17.713  274.588   28.521  268.252   25.811 6.336060 38.46637 
1 1 1   -4   26   11 o   66.513   29.614  -2.2631   10.293  -2.1519   15.678  -2.3473   13.646   81.813   36.479   76.361   34.041 5.451141 49.89476 
1 1 1   -4   26   12 o   93.787   36.002   10.419   12.278   22.172   18.771   1.6302   16.232  122.623   45.043   87.367   38.101 35.25634 58.99666 
1 1 1   -4   26   13 o  255.778   18.599   88.294   12.238   72.155   17.038  105.495   17.590  223.934   30.138  275.439   24.924 -51.50507 39.10913 
1 1 1   -4   26   14 o  253.926   20.718   88.132   13.509   90.257   20.176   86.405   18.187  248.301   32.122  245.297   29.196 3.004486 43.40819 
1 1 1   -4   26   15 o  193.264   27.028   53.444   13.161   37.691   18.833   68.480   18.399  149.694   44.957  213.272   34.481 -63.57774 56.65759 
1 1 1   -4   26   16 o  120.099   32.427   22.005   10.324   11.964   16.609   28.326   13.179  100.465   40.809  133.880   36.843 -33.41451 54.97972 
1 1 1   -4   26   17 o  224.553   27.159   72.713   15.476   79.570   29.455   70.098   18.189  204.774   54.551  214.750   33.817 -9.976135 64.18279 
1 1 1   -4   26   18 o  102.338   30.644   15.889   8.7597   24.550   27.992   14.948   9.2229  123.092   51.748   99.448   31.736 23.64467 60.70427 
1 1 1   -4   26   19 o   84.651   31.252   9.7283   9.0535 -11.9200   26.157   12.675   9.6499   88.633   42.089   92.796   32.509 -4.163010 53.18200 
1 1 1   -4   26   20 o  133.974   27.800   27.019   9.3314   0.0000   0.0000   27.019   9.3314  ?   ?   133.974   27.800 0.000000 27.79992 
1 1 1   -4   26   21 o   47.403   22.446  -6.9376   7.3371   0.0000   0.0000  -6.9376   7.3371  ?   ?    47.403   22.446 0.000000 22.44646 
1 1 1   -4   26   22 o   90.938   34.836   12.341   11.481   11.030   21.897   12.839   13.482   97.990   43.433   93.390   37.167 4.600342 57.16532 
1 1 1   -4   26   23 o   76.228   30.010   7.4647   8.7012   2.4460   21.269   8.4735   9.5357   87.449   40.339   79.682   31.401 7.767143 51.11969 
1 1 1   -4   26   24 o   54.479   24.576  -1.4130   7.3483 -31.3000   19.576   3.4888   7.9280   62.232   30.958   65.315   27.503 -3.083168 41.41073 
1 1 1   -4   26   25 o   45.222   21.375  -5.5108   6.5974   11.800   19.380  -7.7798   7.0164   91.310   40.647   44.135   21.186 47.17561 45.83671 
1 1 1   -4   26   26 o  111.921   27.970   20.569   8.0862   21.980   17.890   20.206   9.0649  102.023   42.000  108.285   30.834 -6.261505 52.10325 
1 1 1   -4   26   27 o   72.321   28.528   7.4676   7.8777  -2.5530   20.256   9.2533   8.5508   76.575   36.552   77.239   29.938 -0.6646957 47.24730 
1 1 1   -4   26   28 o   61.053   26.897   1.9378   8.2735 -17.2600   22.129   5.0574   8.9205   69.280   34.186   67.998   28.929 1.281364 44.78312 
1 1 1   -4   26   29 o   68.129   28.122   6.1255   8.0480   27.270   22.957   3.1629   8.5933   99.053   44.155   63.286   27.658 35.76739 52.10222 
1 1 1   -4   26   30 o   67.562   27.549   6.4760   7.6062  -3.8540   22.339   7.8306   8.0896   73.630   35.919   71.143   28.626 2.487602 45.93101 
1 1 1   -4   26   31 f   99.727   30.588   19.067   8.6538  -0.7332   19.297   24.052   9.6820   71.144   34.397  110.973   31.951 -39.82841 46.94690 
1 1 1   -4   26   32 o   62.994   27.539   4.6225   8.5256 -17.3200   22.230   8.4067   9.2316   63.872   31.962   70.606   29.702 -6.734093 43.63194 
1 1 1   -4   26   33 o   47.339   22.759  -5.6007   8.1678   0.0000   0.0000  -5.6007   8.1678  ?   ?    47.339   22.759 0.000000 22.75918 
1 1 1   -4   26   34 o   51.688   25.636 -12.7009   13.028 -18.7600   20.058  -8.2800   17.133   58.103   29.250   59.620   29.539 -1.517242 41.57059 
1 1 1   -4   26   35 o   62.065   28.424   5.2656   10.301  -6.4430   23.311   8.1068   11.483   63.293   31.819   66.294   30.227 -3.001114 43.88736 
1 1 1   -4   26   36 o   49.564   23.759  -2.8177   8.7568  -0.5890   22.157  -3.2302   9.5329   63.227   31.678   50.644   24.409 12.58318 39.99123 
1 1 1   -4   26   37 o   59.116   26.822   5.5627   8.9012   24.090   22.051   1.9563   9.7290   72.036   35.258   55.282   26.077 16.75392 43.85358 
1 1 1   -4   26   38 o   88.072   32.319   22.040   9.6597   8.8050   23.655   24.689   10.582   62.639   31.562   90.010   33.677 -27.37100 46.15529 
1 1 1   -4   26   39 o   59.491   26.786   8.0530   8.6817   1.0760   21.145   9.4676   9.5212   57.282   28.980   61.287   27.781 -4.005062 40.14486 
1 1 1   -4   27    1 f  248.926   20.206   83.560   12.916   74.482   18.081   93.020   18.458  228.755   31.338  258.177   28.052 -29.42213 42.05935 
1 1 1   -4   27    2 o  247.180   24.155   83.805   15.268   76.703   19.350   95.520   24.852  230.780   33.336  253.433   39.116 -22.65353 51.39419 
1 1 1   -4   27    3 o  158.333   34.088   36.872   13.567   38.552   18.442   34.890   20.029  156.803   43.747  148.272   46.710 8.530716 63.99752 
1 1 1   -4   27    4 o   68.592   30.093  -0.9075   10.261   10.396   15.672  -9.3869   13.574   99.923   39.972   68.194   31.722 31.72885 51.02996 
1 1 1   -4   27    5 o  266.336   18.240   95.115   12.508   89.815   18.994   99.172   16.620  251.911   29.678  268.616   24.144 -16.70450 38.25857 
1 1 1   -4   27    6 o  218.142   21.107   64.781   11.777   55.331   18.594   71.113   15.219  190.876   38.927  225.575   26.555 -34.69942 47.12255 
1 1 1   -4   27    7 o  257.171   18.807   89.109   12.442   99.226   19.289   81.902   16.281  265.034   28.548  242.040   26.396 22.99367 38.88091 
1 1 1   -4   27    8 o  197.096   24.752   54.193   12.358   71.954   19.603   42.479   15.920  219.807   35.650  166.525   37.775 53.28220 51.94155 
1 1 1   -4   27    9 o  171.809   27.198   42.078   11.701   20.729   16.624   63.039   16.472  117.840   42.525  207.949   31.573 -90.10824 52.96498 
1 1 1   -4   27   10 o  141.279   33.796   30.215   12.202   33.829   19.713   27.971   15.535  142.338   46.485  132.484   41.040 9.854111 62.00916 
1 1 1   -4   27   11 o   80.883   33.585   4.9801   11.576   11.436   16.767  -0.9008   16.002  100.633   40.954   82.432   36.797 18.20071 55.05653 
1 1 1   -4   27   12 o  246.608   19.502   83.051   12.356   78.225   18.346   87.057   16.717  230.104   31.614  247.297   26.509 -17.19252 41.25807 
1 1 1   -4   27   13 o  118.862   36.381   22.221   12.250   4.5430   18.019   37.409   16.703   91.941   40.119  150.241   41.531 -58.30017 57.74421 
1 1 1   -4   27   14 o   58.128   27.457  -9.4466   10.854 -10.0195   15.459  -8.8896   15.242   70.680   33.194   71.177   33.277 -0.4973831 47.00219 
1 1 1   -4   27   15 o  251.740   21.030   88.015   13.588   62.693   20.114  109.271   18.429  194.647   41.179  275.809   26.106 -81.16214 48.75702 
1 1 1   -4   27   16 o  288.945   17.462  113.736   13.008  105.576   18.108  122.438   18.700  270.252   26.196  292.580   24.911 -22.32785 36.14972 
1 1 1   -4   27   17 o  205.394   26.440   61.737   13.740   71.270   24.941   57.583   16.464  194.452   49.414  190.951   34.559 3.500854 60.29934 
1 1 1   -4   27   18 o  155.862   25.536   35.772   9.9525   0.0000   0.0000   35.772   9.9525  ?   ?   155.862   25.536 0.000000 25.53600 
1 1 1   -4   27   19 o   93.556   33.994   13.500   10.649   0.0000   0.0000   13.500   10.649  ?   ?    93.556   33.994 0.000000 33.99409 
1 1 1   -4   27   20 o   89.657   31.344   12.485   8.9684   22.550   25.034   11.003   9.6060  110.794   47.819   86.163   32.116 24.63074 57.60310 
1 1 1   -4   27   21 o   76.514   35.009  -0.1547   15.577  -7.2320   24.935   4.3750   19.948   84.236   40.304   87.219   39.796 -2.982674 56.64022 
1 1 1   -4   27   22 o   59.931   26.931  -0.6425   8.7240   23.820   23.555  -4.5314   9.3919  107.108   46.307   56.569   26.338 50.53941 53.27320 
1 1 1   -4   27   23 o   46.454   22.219  -7.5401   7.5629  -8.1010   22.528  -7.4688   8.0289   77.913   37.544   48.240   23.023 29.67312 44.04069 
1 1 1   -4   27   24 o   71.982   27.967   7.3216   7.4758 -16.0700   22.761   10.150   7.9149   72.513   35.560   79.822   29.260 -7.308289 46.05079 
1 1 1   -4   27   25 o   64.246   27.593   3.5050   8.2558   10.190   21.416   2.3382   8.9473   87.014   40.257   63.656   28.010 23.35761 49.04269 
1 1 1   -4   27   26 o   84.362   30.078   12.384   8.2916   46.650   22.739   7.1297   8.9047  125.407   48.761   71.897   29.619 53.50990 57.05154 
1 1 1   -4   27   27 o   90.045   30.566   14.781   8.5081   21.400   22.733   13.702   9.1749   93.330   42.545   86.402   31.529 6.927971 52.95378 
1 1 1   -4   27   28 o   52.634   24.273  -1.7362   7.6948   16.360   22.559  -4.1189   8.1857   86.914   40.585   50.929   23.992 35.98517 47.14561 
1 1 1   -4   27   29 o   69.881   28.174   7.7510   7.8528 -17.6200   20.603   12.063   8.4940   63.762   31.726   80.426   30.156 -16.66404 43.77105 
1 1 1   -4   27   30 o   62.164   26.801   4.5774   7.8461  -3.1670   17.037   6.6621   8.8393   66.005   32.009   67.313   28.721 -1.308868 43.00570 
1 1 1   -4   27   31 o   61.197   26.841   4.3828   8.1584 -10.0400   22.259   6.6209   8.7686   65.391   32.607   65.887   28.370 -0.4965820 43.22102 
1 1 1   -4   27   32 o   76.385   29.586   12.235   8.3468   0.0000   0.0000   12.235   8.3468  ?   ?    76.385   29.586 0.000000 29.58610 
1 1 1   -4   27   33 f   54.512   26.807  -7.2752   13.225 -11.6800   19.810  -3.7340   17.763   59.411   29.793   61.334   30.332 -1.922695 42.51693 
1 1 1   -4   27   34 o   59.937   27.337   4.9492   9.4017 -19.7800   22.319   10.284   10.366   57.242   29.048   67.991   30.022 -10.74888 41.77452 
1 1 1   -4   27   35 o   54.548   24.981   2.9146   7.9562   14.570   23.282   1.3735   8.4658   67.715   33.698   53.151   24.833 14.56435 41.86011 
1 1 1   -4   27   36 o   45.742   22.041  -3.2487   7.7621 -10.4900   16.581  -1.2163   8.7841   53.344   26.820   49.808   23.855 3.535736 35.89384 
1 1 1   -4   27   37 o   38.820   19.439 -12.5850   8.2879 -10.3700   22.809 -12.9220   8.8959   55.580   28.317   40.053   20.068 15.52722 34.70731 
1 1 1   -4   27   38 o   55.247   25.525   5.7905   8.5665   16.540   18.778   2.9652   9.6266   61.888   30.708   52.518   25.105 9.369999 39.66442 
1 1 1   -4   28    1 o  245.143   19.590   81.737   12.336  100.144   19.592   69.647   15.878  264.273   29.103  220.473   28.468 43.79976 40.71132 
1 1 1   -4   28    2 o  103.304   35.446   15.506   11.444   17.175   16.991   14.120   15.482  110.844   42.399  103.989   40.290 6.855019 58.48898 
1 1 1   -4   28    3 o  255.542   22.276   90.088   14.598   87.435   19.657   93.350   21.796  244.301   31.819  250.008   34.584 -5.707489 46.99425 
1 1 1   -4   28    4 f  150.896   36.430   35.291   14.078   41.787   17.917   24.810   22.758  159.987   42.510  126.003   48.840 33.98417 64.74893 
1 1 1   -4   28    5 o  181.030   24.682   46.256   11.272   57.932   16.495   36.024   15.441  196.571   33.602  150.338   39.234 46.23294 51.65642 
1 1 1   -4   28    6 o  113.838   34.362   19.833   10.982   48.004   17.995   3.1170   13.862  172.442   40.905   82.700   35.639 89.74181 54.25291 
1 1 1   -4   28    7 o  178.104   25.909   45.355   11.602   57.324   16.794   34.424   16.048  193.915   34.708  144.937   40.941 48.97823 53.67336 
1 1 1   -4   28    8 o  261.472   19.081   93.330   12.834  101.620   19.515   87.011   17.037  264.439   28.964  246.124   27.177 18.31464 39.71728 
1 1 1   -4   28    9 o   55.258   26.415 -11.7267   10.660 -14.3551   16.473  -9.8330   13.983   69.600   33.151   67.096   31.529 2.504387 45.75001 
1 1 1   -4   28   10 o  110.513   36.497   19.170   12.139   19.459   18.664   18.958   15.981  112.763   44.084  110.679   41.390 2.083954 60.46929 
1 1 1   -4   28   11 o  160.807   28.300   38.265   11.358   35.384   16.811   40.685   15.405  143.621   42.320  158.219   38.054 -14.59750 56.91290 
1 1 1   -4   28   12 o   93.966   35.414   12.442   11.744   0.4159   18.559   20.472   15.166   86.556   39.050  112.306   40.604 -25.75053 56.33482 
1 1 1   -4   28   13 o   59.335   27.823  -7.5939   10.790  -4.7399   15.927 -10.0149   14.668   75.741   34.927   67.794   31.991 7.946953 47.36387 
1 1 1   -4   28   14 o   89.887   34.069   11.347   10.907   13.866   17.958   9.8739   13.730  100.966   41.869   90.338   36.945 10.62805 55.83900 
1 1 1   -4   28   15 o   65.224   29.661  -2.6726   10.966  -7.6373   15.861   1.8737   15.178   71.967   33.742   80.550   35.905 -8.583138 49.27150 
1 1 1   -4   28   16 o  114.592   37.938   22.637   13.114   33.260   22.684   17.305   16.072  127.280   48.918  103.265   40.743 24.01484 63.66337 
1 1 1   -4   28   17 o   66.502   31.078  -6.0718   13.271 -14.9300   19.176   2.0710   18.385   71.909   34.647   84.476   38.413 -12.56763 51.72962 
1 1 1   -4   28   18 o   79.743   33.993   6.3038   12.361   45.680   23.438  -8.8706   14.550  141.127   50.543   66.330   31.467 74.79642 59.53792 
1 1 1   -4   28   19 o   71.593   31.548   2.6269   11.389   13.860   24.734  -0.3956   12.830   98.541   44.710   70.526   32.077 28.01472 55.02656 
1 1 1   -4   28   20 o   81.743   31.076   10.211   9.0927   44.190   25.130   5.0927   9.7535  129.316   50.971   71.761   30.377 57.55525 59.33621 
1 1 1   -4   28   21 o   63.656   27.486   2.7097   8.2775   23.610   24.790   0.0869   8.7815  102.891   45.873   60.464   27.105 42.42699 53.28277 
1 1 1   -4   28   22 o   71.843   28.757   7.0647   8.1170   36.190   25.281   3.7172   8.5707  112.706   48.342   65.617   28.146 47.08893 55.93928 
1 1 1   -4   28   23 f   71.168   27.989   7.3241   7.5617  -4.3390   23.154   8.7166   8.0004   77.474   37.510   75.039   28.993 2.435455 47.40925 
1 1 1   -4   28   24 o   68.958   28.544   6.2235   8.3252  -2.6030   22.190   7.6695   8.9812   76.326   36.898   72.766   29.834 3.559685 47.44997 
1 1 1   -4   28   25 o   68.078   28.091   6.2771   8.0263   10.240   22.156   5.6785   8.6112   83.462   39.364   67.640   28.583 15.82211 48.64662 
1 1 1   -4   28   26 f   50.423   23.700  -3.7650   7.9091 -29.3900   21.955   0.0565   8.4784   61.640   30.973   57.189   26.036 4.451031 40.46225 
1 1 1   -4   28   27 o   95.997   29.093   17.102   7.8603   31.850   22.986   15.150   8.3645   96.892   43.610   88.834   30.307 8.057426 53.10662 
1 1 1   -4   28   28 o  129.131   25.521   28.429   8.2338   26.410   19.952   28.843   9.0394   91.420   40.928  126.427   28.307 -35.00676 49.76353 
1 1 1   -4   28   29 o   68.425   27.042   8.1463   7.0907   20.250   17.133   5.6447   7.7891   84.203   37.796   63.215   26.966 20.98766 46.42944 
1 1 1   -4   28   30 o  161.637   21.099   42.369   8.6232   39.510   23.706   42.804   9.2574   91.228   42.259  159.503   23.077 -68.27464 48.14921 
1 1 1   -4   28   31 o   69.997   28.079   9.9245   7.7568   0.0000   0.0000   9.9245   7.7568  ?   ?    69.997   28.079 0.000000 28.07855 
1 1 1   -4   28   32 o   45.398   22.925 -22.1187   12.873  -2.3510   19.565 -37.2100   17.095   61.649   30.714   46.954   23.974 14.69550 38.96280 
1 1 1   -4   28   33 o   49.753   23.780  -1.7985   8.6312 -19.9600   21.076   1.8612   9.4609   55.035   27.958   55.065   25.895 -0.3051376E-01 38.10783 
1 1 1   -4   28   34 o   50.744   23.478   1.5329   7.2847 -21.0700   23.382   3.9627   7.6663   55.071   28.112   54.924   24.909 0.1471443 37.55979 
1 1 1   -4   28   35 o   51.867   24.124   2.3835   7.8474 -13.4200   20.295   5.1618   8.5093   53.880   27.378   56.310   25.805 -2.429607 37.62272 
1 1 1   -4   28   36 o   63.820   26.962   10.289   7.6594 -15.3600   22.147   13.774   8.1631   52.779   26.975   70.356   28.598 -17.57691 39.31282 
1 1 1   -4   28   37 o   53.570   25.109   5.2829   8.7723   13.030   23.193   3.9895   9.4763   57.954   29.430   52.423   25.017 5.531197 38.62633 
1 1 1   -4   29    1 o  496.908   13.127  328.033   16.896  319.363   24.108  336.402   23.686  483.358   19.255  497.232   18.390 -13.87415 26.62638 
1 1 1   -4   29    2 o  154.850   44.671   42.077   18.909   42.077   18.909   0.0000   0.0000  154.850   44.671  ?   ?  0.000000 44.67108 
1 1 1   -4   29    3 o  252.643   18.391   87.295   11.953   89.976   19.377   85.649   15.187  244.937   31.254  245.610   24.184 -0.6733704 39.51817 
1 1 1   -4   29    4 o  239.345   23.545   81.082   14.408   75.061   17.564   93.470   25.194  223.395   31.205  236.374   42.720 -12.97945 52.90356 
1 1 1   -4   29    5 o  159.610   35.518   40.491   14.306   41.052   17.901   39.500   23.801  153.587   43.189  142.775   50.955 10.81230 66.79570 
1 1 1   -4   29    6 o  164.710   26.402   39.676   10.884   34.935   16.976   42.984   14.182  141.437   42.729  165.467   34.218 -24.02917 54.74201 
1 1 1   -4   29    7 o  106.184   35.148   17.833   11.256   11.425   16.346   23.613   15.523   96.722   40.014  118.184   41.242 -21.46227 57.46327 
1 1 1   -4   29    8 o   96.750   34.249   14.190   10.732   15.226   17.242   13.535   13.713  103.002   41.670   97.314   37.858 5.688164 56.29907 
1 1 1   -4   29    9 o  126.662   34.553   25.991   11.651   33.024   18.662   21.499   14.915  133.629   45.270  113.068   40.338 20.56159 60.63443 
1 1 1   -4   29   10 o   92.447   34.749   12.475   11.292   45.334   17.318 -11.8298   14.894  161.133   41.300   66.264   31.551 94.86948 51.97242 
1 1 1   -4   29   11 f  124.689   34.260   25.464   11.406   16.233   17.772   31.929   14.873  103.156   42.093  134.962   39.817 -31.80614 57.94165 
1 1 1   -4   29   12 o   74.215   31.810   3.7350   10.933  -2.1319   16.894   7.9624   14.341   78.711   36.177   86.788   36.791 -8.077248 51.59827 
1 1 1   -4   29   13 o   99.731   36.489   16.284   12.301   25.170   23.569   12.957   14.420  114.598   47.781   94.239   38.114 20.35841 61.12057 
1 1 1   -4   29   14 o  159.746   33.422   41.825   13.386   20.360   18.043   68.100   19.962  106.685   42.814  195.497   40.742 -88.81252 59.10095 
1 1 1   -4   29   15 o  139.437   36.529   34.051   13.352   28.490   17.106   42.720   21.358  119.808   43.151  139.268   48.388 -19.46104 64.83384 
1 1 1   -4   29   16 o   74.738   31.819   5.3382   10.807  -9.2680   15.505   19.136   15.070   67.321   32.092  102.331   39.721 -35.01034 51.06513 
1 1 1   -4   29   17 o  106.568   37.018   21.083   12.500   17.490   21.831   22.836   15.246   98.981   43.644  107.631   40.392 -8.650269 59.46740 
1 1 1   -4   29   18 o   79.080   33.838   7.6107   12.334   11.620   19.679   5.0170   15.828   90.264   40.512   79.833   36.036 10.43109 54.22000 
1 1 1   -4   29   19 o   70.662   27.766   6.8911   7.4353   34.820   22.320   3.4048   7.8858  114.898   47.061   63.651   27.142 51.24680 54.32664 
1 1 1   -4   29   20 o   45.491   22.011  -9.1673   7.9406 -27.4500   23.385  -6.7847   8.4422   66.966   33.397   49.670   23.678 17.29528 40.93939 
1 1 1   -4   29   21 o   75.207   29.224   8.9522   8.1640  -5.8270   23.671   10.948   8.6977   76.146   37.109   80.297   30.426 -4.151344 47.98716 
1 1 1   -4   29   22 o   70.249   27.771   7.4074   7.4807   16.100   23.763   6.4512   7.8814   88.549   41.447   68.427   27.989 20.12223 50.01263 
1 1 1   -4   29   23 o   98.735   30.045   17.954   8.3708   14.460   22.621   18.509   9.0104   85.538   40.166   98.742   31.353 -13.20432 50.95400 
1 1 1   -4   29   24 o   76.074   28.645   10.129   7.6798  -3.2260   22.130   11.958   8.1888   72.680   35.519   80.723   29.736 -8.043495 46.32343 
1 1 1   -4   29   25 f   79.162   28.679   11.529   7.5713   3.8170   22.240   12.540   8.0522   75.226   36.502   81.497   29.568 -6.271339 46.97498 
1 1 1   -4   29   26 o   89.148   29.221   15.383   7.7872  -2.9090   21.060   18.280   8.3812   69.254   34.011   96.300   30.196 -27.04542 45.48147 
1 1 1   -4   29   27 o   57.874   25.277   3.4417   7.1675   10.370   17.761   2.0939   7.8337   74.342   35.118   56.719   25.500 17.62283 43.39996 
1 1 1   -4   29   28 o   59.438   25.851   4.5143   7.4286   21.130   18.926   1.4883   8.0768   80.702   37.513   55.384   25.290 25.31812 45.24160 
1 1 1   -4   29   29 o   43.855   21.413  -7.6118   7.9890   14.220   22.504 -10.7599   8.5456   72.209   35.401   42.792   21.139 29.41749 41.23186 
1 1 1   -4   29   30 o   45.895   22.504  -7.7759   9.1063   0.0000   0.0000  -7.7759   9.1063  ?   ?    45.895   22.504 0.000000 22.50367 
1 1 1   -4   29   31 o   67.534   33.378   14.190   21.394   14.190   21.394   0.0000   0.0000   67.534   33.378  ?   ?  0.000000 33.37807 
1 1 1   -4   29   32 o   39.181   19.623 -13.5698   8.4604 -21.7700   16.724 -10.7494   9.8080   49.321   25.040   44.008   21.896 5.313286 33.26311 
1 1 1   -4   29   33 o   69.388   29.284   13.206   9.0212   3.5300   23.628   14.857   9.7606   59.951   30.365   71.135   30.262 -11.18427 42.86932 
1 1 1   -4   29   34 o   62.658   28.002   10.458   9.2949   14.260   22.582   9.6824   10.199   61.363   30.909   61.058   28.080 0.3046417 41.75971 
1 1 1   -4   29   35 o   36.325   18.357 -15.6027   8.3413 -21.9900   18.711 -14.0185   9.3185   47.887   24.501   39.269   19.790 8.617741 31.49484 
1 1 1   -4   29   36 o   57.655   26.236   9.3525   8.5968   34.230   24.241   5.7735   9.1944   61.437   31.076   52.949   25.088 8.488529 39.93927 
1 1 1   -4   30    1 o  154.012   29.488   36.365   11.336   56.800   16.920   19.724   15.269  186.346   36.359  108.438   40.476 77.90727 54.40851 
1 1 1   -4   30    2 o  213.874   21.795   64.972   11.906   67.567   17.575   62.771   16.185  205.991   34.133  200.375   32.280 5.615738 46.97916 
1 1 1   -4   30    3 o   73.357   31.578   3.1489   10.858   1.0697   17.062   4.5641   14.076   82.743   37.376   81.867   35.595 0.8760223 51.61380 
1 1 1   -4   30    4 o  133.058   31.755   28.156   10.793   19.272   15.533   36.450   15.007  107.124   40.643  144.984   39.075 -37.86015 56.37999 
1 1 1   -4   30    5 f  312.726   20.126  137.064   16.217  128.978   20.110  152.100   27.422  295.212   26.584  307.249   35.084 -12.03647 44.01821 
1 1 1   -4   30    6 o  153.580   35.528   39.143   13.853   50.247   17.521   20.630   22.624  168.967   40.549  109.876   46.374 59.09124 61.60205 
1 1 1   -4   30    7 f  119.585   38.746   25.275   13.708   32.958   16.811   10.030   23.680  132.238   42.914   98.576   44.325 33.66187 61.69549 
1 1 1   -4   30    8 o  141.955   31.144   32.151   11.137   25.529   16.913   37.220   14.799  116.625   42.769  145.408   38.633 -28.78331 57.63459 
1 1 1   -4   30    9 o   73.472   31.907   3.3219   11.284   7.1080   19.929   1.5354   13.690   91.035   40.820   75.747   33.907 15.28867 53.06564 
1 1 1   -4   30   10 o  176.466   30.403   49.297   13.395   71.770   26.125   41.282   15.602  178.919   52.767  151.153   39.435 27.76608 65.87467 
1 1 1   -4   30   11 o   92.086   37.261   13.079   13.789   19.120   21.085   8.5650   18.227  103.593   44.283   89.501   39.651 14.09233 59.44034 
1 1 1   -4   30   12 o   66.266   30.608  -2.9974   12.305   1.0322   16.875  -7.5730   17.982   79.041   36.265   73.271   34.824 5.769485 50.27822 
1 1 1   -4   30   13 o   91.892   33.180   14.170   10.123  -2.8120   13.822   33.815   14.866   69.255   32.147  132.157   40.000 -62.90207 51.31700 
1 1 1   -4   30   14 o  114.038   32.702   22.708   10.161   22.927   16.480   22.573   12.906  105.919   41.419  108.703   37.623 -2.783707 55.95548 
1 1 1   -4   30   15 o   89.762   35.558   13.992   12.287   7.7760   25.452   15.880   14.030   89.634   42.249   93.298   37.643 -3.664909 56.58643 
1 1 1   -4   30   16 o   70.421   32.907  -1.5029   14.873   11.770   23.285 -10.6500   19.330   89.944   41.741   70.269   34.082 19.67490 53.88757 
1 1 1   -4   30   17 o   57.452   26.594  -2.4463   9.3629  -6.0879   13.124   1.3287   13.362   62.310   29.654   70.170   32.223 -7.860184 43.79129 
1 1 1   -4   30   18 o   85.948   30.610   13.145   8.5852   20.009   10.889   1.8690   13.957  100.817   34.577   70.822   32.672 29.99415 47.57156 
1 1 1   -4   30   19 o   76.498   31.596   9.4055   10.168   22.180   19.613   4.7103   11.891   94.563   41.543   70.638   31.612 23.92474 52.20288 
1 1 1   -4   30   20 o   74.525   28.986   9.2730   8.0374  -1.6870   21.814   10.995   8.6456   74.362   36.099   78.787   30.219 -4.424828 47.07767 
1 1 1   -4   30   21 o   55.004   24.957   0.0709   7.7076  -4.7860   22.505   0.7163   8.2037   72.145   35.375   57.234   25.879 14.91104 43.83091 
1 1 1   -4   30   22 o  100.399   28.753   18.557   7.8596   7.0680   21.822   20.269   8.4250   77.279   37.166  103.873   29.776 -26.59418 47.62206 
1 1 1   -4   30   23 o   48.350   22.639  -2.7925   7.1007   9.6480   20.249  -4.5367   7.5821   76.996   36.696   47.610   22.623 29.38662 43.10916 
1 1 1   -4   30   24 o   46.797   22.122  -3.6054   7.0707 -11.9300   20.157  -2.4374   7.5505   63.392   31.516   49.722   23.302 13.66964 39.19461 
1 1 1   -4   30   25 o   92.437   28.780   16.901   7.6285   4.4960   19.240   19.215   8.3096   69.930   33.937   97.176   30.001 -27.24684 45.29635 
1 1 1   -4   30   26 o   80.453   29.667   13.846   8.1541  -1.5360   17.752   17.959   9.1797   63.818   31.318   88.813   31.650 -24.99483 44.52566 
1 1 1   -4   30   27 o   47.746   22.745  -3.0523   7.7602   19.890   19.240  -7.5099   8.4806   75.949   36.075   45.113   22.035 30.83638 42.27194 
1 1 1   -4   30   28 o   74.830   30.730   14.025   9.5486   0.0000   0.0000   14.025   9.5486  ?   ?    74.830   30.730 0.000000 30.73046 
1 1 1   -4   30   29 o   62.165   30.115   6.1950   14.977   0.0000   0.0000   6.1950   14.977  ?   ?    62.165   30.115 0.000000 30.11519 
1 1 1   -4   30   30 o   70.894   33.273   19.585   15.491   10.900   22.472   27.450   21.384   63.515   31.835   71.291   34.857 -7.775826 47.20624 
1 1 1   -4   30   31 o   49.583   23.827  -0.5923   8.9262   1.4200   18.107  -1.2383   10.260   57.528   28.795   50.742   24.661 6.785797 37.91222 
1 1 1   -4   30   32 o   62.398   27.996   10.496   9.3895   10.660   22.717   10.462   10.312   59.886   30.267   61.755   28.339 -1.868954 41.46323 
1 1 1   -4   30   33 o   39.828   19.903 -10.0737   8.4903   16.750   22.724 -14.4255   9.1531   59.764   30.213   38.729   19.529 21.03574 35.97545 
1 1 1   -4   30   34 o   57.236   26.353   9.0655   9.0181 -12.3400   18.108   16.125   10.399   48.625   24.814   65.199   29.340 -16.57365 38.42659 
1 1 1   -4   30   35 o   47.090   22.890   1.4081   8.8498 -20.2900   23.055   5.1578   9.5840   47.565   24.486   50.893   24.515 -3.327930 34.64846 
1 1 1   -4   31    1 o   87.308   35.337   10.937   12.406   55.150   23.322  -6.5087   14.650  156.188   50.533   68.350   32.167 87.83881 59.90215 
1 1 1   -4   31    2 o   99.553   36.573   17.078   12.376   28.670   21.668   11.465   15.076  115.889   46.773   90.374   37.984 25.51488 60.25396 
1 1 1   -4   31    3 o  157.902   31.800   40.707   12.557   93.720   25.345   23.462   14.455  218.500   46.224  111.833   39.731 106.6675 60.95315 
1 1 1   -4   31    4 o  255.780   25.258   98.276   16.516  106.300   23.444   90.370   23.271  246.725   37.896  220.547   42.273 26.17792 56.77217 
1 1 1   -4   31    5 f  216.661   29.798   74.528   16.280   65.490   25.997   80.360   20.882  163.814   53.377  211.175   39.631 -47.36060 66.48074 
1 1 1   -4   31    6 o   88.643   37.829   10.838   15.339   20.010   23.044   3.5400   20.555  103.210   45.194   85.722   39.582 17.48881 60.07651 
1 1 1   -4   31    7 o   78.200   35.513   2.5390   15.650   2.5390   15.650   0.0000   0.0000   78.200   35.513  ?   ?  0.000000 35.51288 
1 1 1   -4   31    8 o  250.631   31.144  102.754   19.783  102.754   19.783   0.0000   0.0000  250.631   31.144  ?   ?  0.000000 31.14446 
1 1 1   -4   31    9 o  214.111   21.922   67.654   11.987   62.468   18.256   71.585   15.892  182.252   39.787  209.703   30.122 -27.45132 49.90323 
1 1 1   -4   31   10 o  250.278   19.120   89.999   12.302   96.287   18.297   84.812   16.618  243.145   29.667  229.868   28.522 13.27695 41.15360 
1 1 1   -4   31   11 o   90.078   33.177   14.244   10.193   13.582   17.308   14.596   12.612   90.095   39.316   90.485   35.968 -0.3901215 53.28605 
1 1 1   -4   31   12 o   49.989   24.594 -16.1071   11.173  -6.9760   23.991 -18.6362   12.626   77.783   37.782   52.152   25.750 25.63165 45.72269 
1 1 1   -4   31   13 o   80.241   33.906   9.8225   12.116   8.5690   18.102   10.840   16.308   82.900   37.858   84.264   37.410 -1.363731 53.22290 
1 1 1   -4   31   14 o  156.545   31.670   43.238   12.401   42.979   15.442   43.710   20.810  142.372   40.142  125.091   47.143 17.28110 61.91742 
1 1 1   -4   31   15 f   58.493   26.752  -0.5377   9.0827   7.2003   15.309  -4.7410   11.283   77.421   35.146   58.696   27.806 18.72485 44.81501 
1 1 1   -4   31   16 o   65.879   28.901   4.1413   9.4635  -2.6989   13.519   10.714   13.252   64.401   30.487   79.621   34.578 -15.22035 46.09890 
1 1 1   -4   31   17 o   53.768   25.275  -3.4540   8.9993  -7.1870   12.597   0.4376   12.861   58.285   28.083   65.782   30.692 -7.496929 41.60124 
1 1 1   -4   31   18 o   60.167   27.003   2.0140   8.7416  -1.2227   12.946   4.7266   11.852   63.618   30.031   68.707   31.083 -5.089199 43.22002 
1 1 1   -4   31   19 o   77.027   32.652   11.117   11.294   21.440   19.316   5.7546   13.922   88.178   39.805   71.169   32.759 17.00908 51.55216 
1 1 1   -4   31   20 o   75.180   29.463   10.496   8.3527 -15.6900   18.640   17.075   9.3432   60.844   30.258   90.559   31.967 -29.71514 44.01649 
1 1 1   -4   31   21 o   42.416   20.699  -8.6966   7.4366   19.460   18.403 -14.1920   8.1300   83.486   38.143   40.207   19.993 43.27920 43.06539 
1 1 1   -4   31   22 o   50.189   23.587  -2.3281   7.8300  -0.3183   18.641  -2.7587   8.6281   66.969   32.701   51.639   24.419 15.32942 40.81224 
1 1 1   -4   31   23 o   68.873   27.316   8.8236   7.2595 -12.4200   17.999   12.951   7.9334   58.976   29.394   78.965   29.235 -19.98887 41.45720 
1 1 1   -4   31   24 o   59.840   26.317   4.8723   7.8890   14.990   17.279   2.2078   8.8671   74.072   34.883   56.970   26.194 17.10182 43.62248 
1 1 1   -4   31   25 o   38.621   19.234 -12.5014   7.6427 -32.8100   16.909  -7.2870   8.5679   48.178   24.530   45.248   22.111 2.930370 33.02435 
1 1 1   -4   31   26 o   83.740   30.769   17.438   8.7597   12.330   20.206   18.620   9.7207   67.453   33.164   83.483   32.037 -16.03024 46.11153 
1 1 1   -4   31   27 o   71.203   31.551   15.097   11.547   0.0000   0.0000   15.097   11.547  ?   ?    71.203   31.551 0.000000 31.55086 
1 1 1   -4   31   28 o   50.729   25.162  -5.8737   12.560   11.550   23.019 -13.2600   14.987   62.880   31.612   49.843   25.116 13.03677 40.37469 
1 1 1   -4   31   29 o   46.667   23.113  -6.5810   10.453  -4.1700   21.914  -7.2911   11.894   56.195   28.544   48.219   24.011 7.975914 37.29978 
1 1 1   -4   31   30 o   54.098   25.240   4.8063   8.6960   13.750   18.772   2.3627   9.8123   60.734   30.230   52.149   25.039 8.584274 39.25267 
1 1 1   -4   31   31 o   47.073   22.830  -0.8097   8.6705 -31.1400   20.357   5.9116   9.5832   46.825   24.058   54.594   25.792 -7.769337 35.27044 
1 1 1   -4   31   32 o   50.931   23.919   4.2975   8.0274 -11.3100   22.906   6.4828   8.5709   50.717   26.030   53.824   25.094 -3.106915 36.15625 
1 1 1   -4   31   33 o   43.997   21.601  -1.7966   8.4754  -8.2410   21.807  -0.6500   9.1986   49.340   25.328   45.720   22.458 3.620445 33.85097 
1 1 1   -4   31   34 o   51.388   24.138   7.1353   8.1807  -1.7900   17.516   9.6253   9.2516   47.857   24.421   53.727   25.369 -5.869816 35.21326 
1 1 1   -4   32    1 o  113.694   34.244   23.765   10.915   31.495   15.746   16.614   15.144  120.838   41.572   93.951   38.656 26.88689 56.76727 
1 1 1   -4   32    2 o  130.048   31.551   29.249   10.520   30.067   15.993   28.626   13.967  117.227   41.776  118.443   39.150 -1.215828 57.25308 
1 1 1   -4   32    3 o  114.201   35.069   24.493   11.372   3.3839   16.801   42.338   15.448   78.079   35.957  145.436   39.833 -67.35725 53.66175 
1 1 1   -4   32    4 f   71.241   29.977   5.9224   9.4081   8.2167   13.970   4.0182   12.727   80.392   35.195   73.282   32.756 7.110512 48.08009 
1 1 1   -4   32    5 o  137.633   31.857   33.096   11.133  -0.1294   16.721   59.553   14.921   74.162   34.730  185.696   32.187 -111.5339 47.35163 
1 1 1   -4   32    6 o  200.739   20.548   59.676   10.534   43.954   15.489   73.206   14.368  147.086   39.721  214.138   26.467 -67.05211 47.73092 
1 1 1   -4   32    7 o  121.379   32.619   26.780   10.476   47.207   16.230   12.192   13.716  150.436   40.674   84.771   35.961 65.66476 54.29165 
1 1 1   -4   32    8 o   93.708   36.091   17.468   12.366   36.480   15.344 -17.7600   20.887  128.478   40.928   67.193   33.166 61.28493 52.67925 
1 1 1   -4   32    9 o   94.478   36.342   18.266   12.527   8.4750   16.873   30.290   18.698   80.594   36.706  107.741   43.462 -27.14680 56.88787 
1 1 1   -4   32   10 o  109.882   41.355   29.478   16.004   29.150   23.522   29.760   21.837  100.022   44.633  102.017   44.345 -1.995155 62.91784 
1 1 1   -4   32   11 o   92.155   35.464   17.630   11.932   14.096   16.414   21.590   17.376   85.088   37.665   94.358   40.264 -9.270195 55.13468 
1 1 1   -4   32   12 o  170.900   23.948   46.717   10.310   48.357   14.225   44.901   14.966  156.138   35.919  144.008   39.109 12.12915 53.10048 
1 1 1   -4   32   13 o  193.211   21.428   57.819   10.544   59.726   15.793   56.285   14.162  172.072   36.560  173.497   32.712 -1.424789 49.05825 
1 1 1   -4   32   14 o   87.575   31.299   15.104   8.9831   19.079   14.657   12.712   11.369   89.297   37.488   80.459   33.335 8.837997 50.16519 
1 1 1   -4   32   15 o   59.005   26.329   2.2909   8.1850   7.4314   12.273  -1.8265   10.984   71.785   32.122   59.060   27.813 12.72491 42.48965 
1 1 1   -4   32   16 o   89.573   31.089   16.280   8.8155   12.187   14.037   18.946   11.328   77.826   34.622   91.078   34.672 -13.25229 48.99804 
1 1 1   -4   32   17 o   58.997   26.870   1.7629   9.0419   8.1978   13.196  -3.9322   12.414   71.844   32.620   58.649   28.161 13.19420 43.09400 
1 1 1   -4   32   18 o   66.222   27.825   7.0192   8.0863   3.8345   10.054   12.852   13.607   62.890   28.523   76.805   34.131 -13.91484 44.48048 
1 1 1   -4   32   19 o  101.623   28.813   20.171   7.9330   18.803   10.411   22.065   12.250   89.362   33.409   92.017   35.786 -2.655518 48.95737 
1 1 1   -4   32   20 f   67.527   27.373   8.3398   7.4561   11.160   17.158   7.6832   8.2786   72.549   34.346   66.264   28.014 6.284843 44.32193 
1 1 1   -4   32   21 o  130.380   25.006   30.358   8.1379   3.6800   17.856   37.352   9.1426   66.087   32.212  144.287   25.389 -78.19935 41.01478 
1 1 1   -4   32   22 o  128.759   26.215   30.980   8.4461   18.740   18.135   34.370   9.5444   74.923   35.421  131.373   28.838 -56.45030 45.67611 
1 1 1   -4   32   23 o   68.821   28.112   10.351   7.9378   0.9103   17.211   12.902   8.9461   61.268   30.217   73.174   29.862 -11.90608 42.48296 
1 1 1   -4   32   24 o   70.493   29.055   12.145   8.5746 -16.2200   17.638   20.923   9.8121   52.780   26.675   87.033   32.455 -34.25230 42.01018 
1 1 1   -4   32   25 o   60.556   27.801   7.4789   9.9374   0.0000   0.0000   7.4789   9.9374  ?   ?    60.556   27.801 0.000000 27.80104 
1 1 1   -4   32   26 o   40.672   20.442 -14.3576   9.5929 -43.9400   21.856  -7.2987   10.676   47.658   24.497   46.788   23.206 0.8697929 33.74327 
1 1 1   -4   32   27 o   59.664   29.237   9.7973   15.298   24.050   22.827  -1.8240   20.612   64.121   32.130   55.543   28.157 8.578289 42.72180 
1 1 1   -4   32   28 o   47.986   23.305  -0.7448   9.1208 -22.4600   22.443   3.5511   9.9823   50.136   25.734   52.717   25.296 -2.581276 36.08545 
1 1 1   -4   32   29 o   45.544   21.943  -0.5340   7.6888 -46.0500   21.004   6.5089   8.2622   44.223   22.794   54.532   25.150 -10.30888 33.94265 
1 1 1   -4   32   30 o   58.111   25.895   9.5345   7.8887   16.300   17.337   7.7680   8.8588   57.806   28.818   54.889   25.564 2.917587 38.52234 
1 1 1   -4   32   31 o   39.273   19.626  -7.5668   8.2578   18.960   21.623 -12.0965   8.9351   55.236   28.086   37.908   19.138 17.32814 33.98693 
1 1 1   -4   32   32 o   58.355   26.381   12.587   8.5208   9.2580   23.684   13.082   9.1322   50.659   26.024   57.950   26.622 -7.291794 37.22821 
1 1 1   -4   32   33 o   55.229   26.791   17.041   11.956  -8.3310   21.190   28.890   14.481   45.405   23.378   59.827   29.127 -14.42231 37.34871 
1 1 1   -4   33    1 o   87.298   32.431   14.654   9.7795   18.832   15.310   11.774   12.710   91.287   38.318   80.948   34.487 10.33945 51.55224 
1 1 1   -4   33    2 o  101.698   31.268   19.512   9.0369   14.994   14.863   22.161   11.383   85.723   36.923  102.833   35.348 -17.11046 51.11497 
1 1 1   -4   33    3 o  213.151   22.190   70.561   12.072   75.700   23.107   68.631   14.158  164.372   49.896  201.116   27.931 -36.74382 57.18174 
1 1 1   -4   33    4 o   62.014   28.684  -0.1431   10.863  -7.2550   21.518   2.2896   12.585   70.783   34.684   67.626   31.135 3.156540 46.60835 
1 1 1   -4   33    5 o   89.731   36.563   17.759   13.386   17.160   18.485   18.420   19.410   86.902   39.111   88.031   39.806 -1.129250 55.80473 
1 1 1   -4   33    6 o   84.672   36.547   15.193   14.624   1.7440   22.553   24.950   19.210   75.781   36.769   94.605   41.348 -18.82353 55.33183 
1 1 1   -4   33    7 o   71.556   31.508   7.0904   11.339  -4.5213   14.749   23.870   17.730   63.594   30.577   93.854   40.376 -30.26022 50.64768 
1 1 1   -4   33    8 o   74.143   31.966   9.0992   11.162   11.362   13.319   3.7630   20.455   78.273   34.314   74.665   35.927 3.607674 49.68127 
1 1 1   -4   33    9 o   71.808   31.472   7.8781   11.197   6.9194   15.328   8.9750   16.396   73.412   33.997   75.992   35.181 -2.580643 48.92368 
1 1 1   -4   33   10 o   93.726   35.660   20.523   11.979   5.6165   14.987   46.890   19.932   71.330   33.231  118.821   45.804 -47.49105 56.58923 
1 1 1   -4   33   11 o   76.774   32.713   11.631   11.439   0.1339   14.759   28.930   18.104   65.660   31.303   95.957   41.027 -30.29703 51.60473 
1 1 1   -4   33   12 o   98.830   32.431   20.735   9.5909   12.049   13.958   28.503   13.200   76.688   34.290  105.664   37.922 -28.97620 51.12605 
1 1 1   -4   33   13 o   77.141   30.865   12.113   9.3469  -0.0399   13.280   24.043   13.158   62.796   29.869   95.525   37.106 -32.72905 47.63388 
1 1 1   -4   33   14 f  152.927   23.816   39.364   9.1269   48.664   15.053   33.958   11.477  139.833   39.704  124.710   34.408 15.12284 52.53926 
1 1 1   -4   33   15 o   66.939   28.921   7.4971   9.1754   22.210   13.375  -5.5831   12.611   89.508   36.519   56.377   27.386 33.13158 45.64669 
1 1 1   -4   33   16 o   93.766   34.869   22.441   11.310   22.441   11.310   0.0000   0.0000   93.766   34.869  ?   ?  0.000000 34.86855 
1 1 1   -4   33   17 o   60.503   26.828   4.8285   8.3628   0.0136   11.490   10.253   12.195   58.369   27.769   70.300   31.692 -11.93081 42.13639 
1 1 1   -4   33   18 o   60.200   26.928   4.8870   8.6169   5.7491   11.489   3.7786   13.027   63.618   29.452   62.657   29.739 0.9608765 41.85459 
1 1 1   -4   33   19 o   49.884   23.658  -1.7526   8.2136  -8.9676   10.713   8.5365   12.793   48.540   23.920   66.163   30.784 -17.62297 38.98471 
1 1 1   -4   33   20 o   45.114   22.288  -9.5581   9.5067 -15.1900   16.431  -6.7240   11.656   52.872   26.598   51.061   25.121 1.810619 36.58611 
1 1 1   -4   33   21 o   69.933   28.315   11.501   7.9684   3.2490   16.940   13.846   9.0297   60.809   29.988   73.301   29.968 -12.49241 42.39508 
1 1 1   -4   33   22 o  101.341   30.458   24.674   8.6416   27.090   17.708   23.919   9.9006   74.616   35.192   91.608   32.846 -16.99219 48.13823 
1 1 1   -4   33   23 o   50.556   24.426  -0.5644   9.6872   0.0000   0.0000  -0.5644   9.6872  ?   ?    50.556   24.426 0.000000 24.42554 
1 1 1   -4   33   24 o   39.569   19.896 -13.7684   9.1394   0.0000   0.0000 -13.7684   9.1394  ?   ?    39.569   19.896 0.000000 19.89635 
1 1 1   -4   33   25 o   57.782   27.287   8.3996   10.708   5.9230   20.599   9.3167   12.535   56.667   28.661   58.328   28.081 -1.660534 40.12498 
1 1 1   -4   33   26 o   49.891   24.155   1.7166   9.6020  -0.3762   21.720   2.2250   10.705   53.694   27.381   51.076   24.905 2.618477 37.01299 
1 1 1   -4   33   27 o   59.374   26.441   10.329   8.2094 -17.4100   22.508   14.586   8.8167   49.179   25.270   65.627   28.352 -16.44804 37.97884 
1 1 1   -4   33   28 o   44.925   22.034  -1.2570   8.7474  -4.6040   22.135  -0.6376   9.5225   50.405   25.850   46.216   22.731 4.189018 34.42313 
1 1 1   -4   33   29 f   35.278   17.916 -15.6769   8.6046 -21.6400   18.498 -14.0304   9.7202   44.339   22.789   38.011   19.276 6.327332 29.84856 
1 1 1   -4   33   30 o   42.673   21.144  -1.8279   8.7824 -10.0400   18.681   0.5020   9.9506   45.580   23.400   45.226   22.426 0.3535690 32.41139 
1 1 1   -4   33   31 o   38.684   19.345  -4.9673   8.0843  -0.4655   22.718  -5.6201   8.6505   46.531   23.971   39.044   19.595 7.486725 30.96032 
1 1 1   -4   34    1 o  146.281   30.751   40.741   11.282   31.201   13.461   63.260   20.682  110.671   38.417  139.483   47.655 -28.81195 61.21180 
1 1 1   -4   34    2 o   57.652   27.500  -3.0514   11.422   3.0823   14.464 -13.2100   18.615   67.297   31.760   61.260   30.427 6.037628 43.98293 
1 1 1   -4   34    3 o  123.897   32.477   31.210   10.550   34.982   15.552   27.994   14.359  110.136   40.900  100.647   38.855 9.488487 56.41434 
1 1 1   -4   34    4 o  106.088   31.378   22.965   9.2264   10.714   13.557   33.536   12.593   74.477   33.509  119.177   36.955 -44.70009 49.88549 
1 1 1   -4   34    5 o  103.720   33.201   23.497   10.088   20.084   14.843   26.427   13.753   85.997   36.968   98.465   38.023 -12.46825 53.03172 
1 1 1   -4   34    6 o   81.849   31.360   14.340   9.3046   6.6485   12.979   22.473   13.346   68.877   31.677   91.552   36.793 -22.67523 48.55051 
1 1 1   -4   34    7 o  137.911   26.156   33.624   9.0019   41.398   13.796   27.860   11.879  130.029   38.344  106.720   36.118 23.30916 52.67645 
1 1 1   -4   34    8 o   67.764   29.271   7.8108   9.3950   7.1731   13.308   8.4444   13.265   68.932   31.836   70.323   32.224 -1.391693 45.29822 
1 1 1   -4   34    9 o  100.549   32.030   22.070   9.3975   11.629   14.815   29.099   12.156   73.633   33.856  107.075   36.536 -33.44210 49.81059 
1 1 1   -4   34   10 o   72.649   30.038   10.811   9.2045   6.9797   14.260   13.547   12.051   68.323   32.021   76.096   33.010 -7.772964 45.98914 
1 1 1   -4   34   11 o   44.351   21.862 -10.7422   8.9702  -9.9846   10.327 -13.0700   18.103   48.187   23.695   58.364   29.151 -10.17788 37.56648 
1 1 1   -4   34   12 o   66.307   29.228   7.8176   9.7831   10.955   12.648   3.1460   15.435   71.092   32.141   64.640   31.130 6.451851 44.74451 
1 1 1   -4   34   13 o   55.471   25.484   1.8461   8.3696  -0.0466   11.690   3.8368   11.989   58.042   27.723   62.114   29.190 -4.071491 40.25705 
1 1 1   -4   34   14 o   75.905   28.862   12.622   7.8436   12.612   10.557   12.633   11.719   72.656   31.204   71.989   31.848 0.6660461 44.58632 
1 1 1   -4   34   15 o   42.988   21.084  -8.0960   8.0111 -17.5963   11.784   0.0677   10.924   45.457   22.821   56.094   26.794 -10.63706 35.19562 
1 1 1   -4   34   16 o   75.782   30.342   14.267   9.0394   6.8308   12.375   22.772   13.236   63.124   29.662   82.552   35.182 -19.42821 46.01752 
1 1 1   -4   34   17 o   47.841   22.850  -2.1576   7.9417  -5.1161   10.426   1.9316   12.257   49.726   24.318   57.643   27.755 -7.917053 36.90159 
1 1 1   -4   34   18 o   84.862   30.097   18.066   8.2914   18.156   11.288   17.962   12.218   75.952   32.433   73.976   32.633 1.976013 46.00897 
1 1 1   -4   34   19 o   58.663   26.336   6.6540   8.3221   21.751   11.699  -8.8139   11.841   79.030   33.351   48.093   23.949 30.93730 41.05896 
1 1 1   -4   34   20 o   87.591   33.708   25.579   10.780  -3.3020   17.855   42.145   13.523   54.961   27.659  106.176   38.348 -51.21493 47.28208 
1 1 1   -4   34   21 o   58.864   26.478   8.1568   8.4589   0.0000   0.0000   8.1568   8.4589  ?   ?    58.864   26.478 0.000000 26.47839 
1 1 1   -4   34   22 o   54.088   25.550   5.3278   9.4005   5.5670   19.662   5.2570   10.703   56.109   28.334   54.404   26.129 1.705658 38.54297 
1 1 1   -4   34   23 o   49.475   24.023   1.4182   9.6754   14.310   16.988  -4.7713   11.771   58.493   29.055   47.149   23.543 11.34425 37.39609 
1 1 1   -4   34   24 o   54.452   26.818   8.0195   13.403   3.6790   19.242   12.110   18.680   52.924   26.868   55.742   28.082 -2.818382 38.86545 
1 1 1   -4   34   25 o   46.425   22.745   0.0642   9.2449   0.5182   21.180  -0.0426   10.276   51.224   26.197   47.197   23.290 4.027122 35.05287 
1 1 1   -4   34   26 o   47.134   22.902   2.2092   8.8350   31.890   22.260  -3.3408   9.6257   57.781   29.288   43.633   21.706 14.14853 36.45491 
1 1 1   -4   34   27 o   39.648   19.731  -5.0070   7.9827 -12.7800   21.549  -3.7706   8.5941   46.407   23.879   41.377   20.572 5.029835 31.51828 
1 1 1   -4   34   28 o   39.611   19.817  -5.1279   8.5236   16.090   20.995  -9.3155   9.3269   50.557   25.873   38.406   19.409 12.15103 32.34379 
1 1 1   -4   34   29 o   42.748   21.039   1.1524   8.2031  -5.3420   18.097   2.8319   9.2028   44.203   22.709   44.523   21.984 -0.3203697 31.60701 
1 1 1   -4   34   30 o   60.770   27.068   18.781   8.6083   34.870   22.208   15.936   9.3385   49.802   25.565   54.588   25.688 -4.786400 36.24118 
1 1 1   -4   35    1 o   48.128   23.076  -4.1459   8.2692 -16.3625   12.351   5.7786   11.132   48.034   24.004   63.981   29.392 -15.94728 37.94884 
1 1 1   -4   35    2 o   58.033   26.687   2.6691   9.2093   3.4265   12.875   1.8755   13.179   62.709   29.706   61.580   29.419 1.129669 41.80796 
1 1 1   -4   35    3 o   54.914   25.633   0.5713   8.9861 -10.4673   13.502   9.3491   12.040   53.147   26.312   68.553   31.139 -15.40625 40.76709 
1 1 1   -4   35    4 o   77.739   30.794   14.040   9.2153   31.690   14.471   1.9997   11.952   98.725   38.753   60.259   28.567 38.46661 48.14453 
1 1 1   -4   35    5 o   61.394   27.681   5.2546   9.3088   10.586   13.447   0.3494   12.899   69.622   32.101   59.564   28.628 10.05848 43.01231 
1 1 1   -4   35    6 o   61.122   26.784   5.8090   8.1074   15.103   11.465  -3.4883   11.467   76.231   32.622   54.412   26.357 21.81907 41.93925 
1 1 1   -4   35    7 o   73.175   29.708   12.114   8.7964   5.9151   13.030   17.306   11.924   64.077   30.211   78.785   33.480 -14.70840 45.09561 
1 1 1   -4   35    8 o   43.947   21.603  -8.7806   8.5577 -21.4589   11.989   4.3882   12.219   44.161   22.279   61.746   29.156 -17.58416 36.69367 
1 1 1   -4   35    9 o   75.838   29.022   13.062   7.9633   16.418   11.379   9.8399   11.148   76.928   32.699   67.189   30.294 9.739510 44.57483 
1 1 1   -4   35   10 o   67.571   28.408   9.9163   8.4365   20.036   11.526  -1.7610   12.382   82.238   33.767   55.782   27.106 26.45683 43.30051 
1 1 1   -4   35   11 o   75.163   30.014   13.999   8.8193   13.965   11.827   14.041   13.236   71.217   31.724   70.336   32.215 0.8808289 45.21272 
1 1 1   -4   35   12 o   53.569   25.460   0.5596   9.6120  -7.3495   11.226   22.280   18.604   49.388   24.366   72.997   34.896 -23.60938 42.56099 
1 1 1   -4   35   13 o   77.240   31.367   16.826   9.8093   19.672   12.294   11.840   16.273   76.803   33.329   65.528   31.659 11.27485 45.96854 
1 1 1   -4   35   14 o   79.111   30.331   16.749   8.7079   17.744   11.744   15.535   12.977   73.658   32.258   69.203   31.770 4.455002 45.27632 
1 1 1   -4   35   15 o   48.881   23.151   0.0844   7.8135  -3.5533   10.163   5.3434   12.219   49.033   23.986   58.194   27.941 -9.161533 36.82424 
1 1 1   -4   35   16 o   53.356   24.628   3.8825   7.9462   22.494   11.215 -14.8833   11.261   79.617   33.057   43.361   21.839 36.25624 39.61992 
1 1 1   -4   35   17 o   44.810   21.914  -3.9590   8.4646  -6.4937   11.663  -1.1378   12.304   47.736   23.771   51.620   25.475 -3.884300 34.84343 
1 1 1   -4   35   18 o   46.928   23.060  -2.9740   9.7259 -21.0900   15.537   8.6992   12.472   45.437   23.169   57.757   27.857 -12.32047 36.23291 
1 1 1   -4   35   19 o   59.088   27.493   10.507   10.206   7.8390   12.979   14.830   16.521   55.894   27.291   59.355   29.335 -3.461308 40.06692 
1 1 1   -4   35   20 o   52.003   26.204   1.4850   16.315   0.0000   0.0000   1.4850   16.315  ?   ?    52.003   26.204 0.000000 26.20424 
1 1 1   -4   35   21 o   66.989   29.953   19.284   10.650   19.210   19.593   19.315   12.688   57.184   28.802   62.825   29.679 -5.641148 41.35719 
1 1 1   -4   35   22 o   48.115   24.160  -0.6346   13.245  -8.5080   17.573   9.7210   20.154   47.367   24.194   52.793   26.871 -5.426834 36.15792 
1 1 1   -4   35   23 o   61.336   28.165   16.555   10.206   10.420   17.732   19.594   12.481   52.109   26.383   60.399   28.792 -8.289722 39.05163 
1 1 1   -4   35   24 o   57.986   26.141   12.356   8.2982   18.680   18.751   10.816   9.2537   53.329   27.015   54.504   25.624 -1.175034 37.23443 
1 1 1   -4   35   25 o   54.500   25.097   10.784   8.1826   12.940   21.179   10.406   8.8715   49.836   25.540   53.140   25.016 -3.304626 35.75024 
1 1 1   -4   35   26 o   47.101   22.730   5.7184   8.3288   2.9770   21.902   6.1819   9.0054   46.544   23.955   47.447   23.070 -0.9029388 33.25770 
1 1 1   -4   35   27 o   36.407   18.315  -6.3991   7.7910 -42.0700   22.036  -1.3033   8.3289   39.517   20.486   40.259   20.055 -0.7426338 28.66833 
1 1 1   -4   35   28 o   44.620   21.974   6.1373   8.9938   21.490   21.184   2.7617   9.9334   46.455   23.891   42.432   21.252 4.022484 31.97594 
1 1 1   -4   36    1 f   58.293   26.527   5.2219   8.7890   26.041   12.888 -12.8797   12.017   86.408   35.618   47.251   23.623 39.15776 42.73988 
1 1 1   -4   36    2 o  100.091   31.134   24.141   8.9302   3.0363   13.730   39.614   11.756   59.150   28.697  123.065   35.140 -63.91423 45.36861 
1 1 1   -4   36    3 o   74.458   29.562   13.988   8.5104   40.782   12.600  -8.4871   11.540  118.935   36.981   48.870   24.218 70.06491 44.20532 
1 1 1   -4   36    4 o   53.873   25.020   2.5357   8.3894   13.045   12.610  -5.8102   11.237   67.800   31.197   50.040   24.628 17.75959 39.74635 
1 1 1   -4   36    5 o  104.901   31.728   27.076   9.3558   30.223   13.659   24.295   12.841   89.321   36.726   82.298   34.847 7.022659 50.62743 
1 1 1   -4   36    6 o   53.493   24.846   2.6405   8.2774   1.8566   11.314   3.5434   12.142   55.689   26.777   57.743   27.758 -2.054066 38.56852 
1 1 1   -4   36    7 o   90.408   30.482   20.627   8.4605   30.406   12.641   12.692   11.387   92.358   36.231   66.928   30.355 25.43017 47.26639 
1 1 1   -4   36    8 f   57.822   25.852   6.1367   7.9324  -7.6110   11.112   20.423   11.327   47.818   23.709   77.990   32.860 -30.17246 40.52000 
1 1 1   -4   36    9 o   85.822   29.694   18.773   8.0393   25.403   10.743   10.336   12.119   89.053   33.797   62.709   29.431 26.34394 44.81580 
1 1 1   -4   36   10 o  120.728   28.102   31.740   8.6234   37.766   12.810   26.747   11.662  102.596   37.282   86.340   34.501 16.25547 50.79664 
1 1 1   -4   36   11 o   66.911   28.258   12.214   8.4088   2.5700   12.125   21.151   11.672   54.608   26.601   75.258   32.567 -20.64955 42.04970 
1 1 1   -4   36   12 o   44.274   21.297  -1.9363   7.1735   6.9685   9.9681 -11.5019   10.331   57.167   26.786   42.948   21.534 14.21908 34.36835 
1 1 1   -4   36   13 o   47.160   22.589  -0.0117   7.8793   1.0993   11.279  -1.0706   11.012   51.633   25.260   49.844   24.502 1.788792 35.19103 
1 1 1   -4   36   14 o   59.510   27.370   10.246   9.6906   7.5908   11.430   17.030   18.272   56.126   26.969   60.253   29.963 -4.127068 40.31265 
1 1 1   -4   36   15 o   57.659   27.617   10.506   11.777   15.890   14.960   1.7300   19.098   60.047   29.315   53.259   27.010 6.788383 39.86110 
1 1 1   -4   36   16 o   54.040   25.375   7.1061   9.0273   5.1960   12.391   9.2664   13.178   52.565   25.869   55.253   27.088 -2.687855 37.45608 
1 1 1   -4   36   17 o   49.928   24.242   3.7069   9.8523   9.7541   12.310  -7.0680   16.432   54.773   26.708   47.876   24.358 6.896786 36.14677 
1 1 1   -4   36   18 o   47.292   23.281   1.1648   10.063   0.4888   12.948   2.1960   15.992   48.370   24.232   50.000   25.285 -1.629261 35.02157 
1 1 1   -4   36   19 o   53.281   25.814   9.8249   11.013   24.710   21.318   4.4057   12.863   55.296   28.094   49.515   24.706 5.781174 37.41182 
1 1 1   -4   36   20 o   46.269   23.494  -2.6426   14.756   2.7720   21.211  -7.7210   20.542   48.980   25.132   46.801   24.054 2.178585 34.78830 
1 1 1   -4   36   21 o   47.578   24.009   3.4947   13.971   17.590   20.571  -8.5750   19.036   51.363   26.231   45.438   23.341 5.924732 35.11215 
1 1 1   -4   36   22 o   43.520   21.396   1.1275   8.4076   8.7630   18.528  -0.8523   9.4348   48.391   24.728   42.840   21.341 5.550575 32.66340 
1 1 1   -4   36   23 o   42.359   20.966   0.4586   8.5526   25.830   17.845  -7.1069   9.7447   52.321   26.488   39.041   19.742 13.27998 33.03556 
1 1 1   -4   36   24 o   37.238   18.798  -6.7538   8.6084   9.5630   16.638 -12.7182   10.059   46.365   23.672   36.422   18.579 9.943047 30.09160 
1 1 1   -4   36   25 o   34.537   17.611 -12.3623   8.9791   21.990   20.772 -20.2562   9.9574   46.775   24.040   33.222   17.057 13.55354 29.47637 
1 1 1   -4   36   26 o   38.474   19.277  -0.9271   8.2061 -11.1100   21.654   0.7805   8.8675   40.484   20.967   39.880   19.990 0.6038742 28.96892 
1 1 1   -4   37    1 f   92.851   31.071   24.089   8.7900   12.242   11.990   37.854   12.924   61.993   29.152   97.233   37.030 -35.23927 47.12803 
1 1 1   -4   37    2 f   55.722   25.346   6.2712   8.0128   11.768   10.883  -0.2371   11.842   62.090   28.716   51.482   25.327 10.60769 38.28893 
1 1 1   -4   37    3 o   39.311   19.435  -7.2007   7.2724 -17.9266   10.699   2.0121   9.9154   40.255   20.394   51.602   24.876 -11.34702 32.16705 
1 1 1   -4   37    4 o   73.871   29.786   16.929   8.7783   9.1011   12.663   24.169   12.179   58.311   28.111   75.648   32.997 -17.33735 43.34768 
1 1 1   -4   37    5 o   59.945   26.849   9.5236   8.5961   6.3702   12.070   12.769   12.245   55.800   27.033   61.355   29.037 -5.554688 39.67256 
1 1 1   -4   37    6 o   47.065   22.415   0.6563   7.5270   5.7887   10.486  -4.7995   10.811   54.661   26.149   46.747   23.214 7.913292 34.96609 
1 1 1   -4   37    7 o   64.704   27.801   12.632   8.3869   18.296   12.440   7.9110   11.356   65.695   30.495   56.251   26.989 9.443481 40.72296 
1 1 1   -4   37    8 o   97.997   31.686   28.430   9.1712   28.632   12.895   28.224   13.046   76.406   33.623   75.326   33.449 1.079933 47.42770 
1 1 1   -4   37    9 o   53.392   24.703   6.1444   8.0647  -1.3449   10.861   15.350   12.041   47.974   23.724   61.617   29.048 -13.64235 37.50523 
1 1 1   -4   37   10 o   36.959   18.504  -9.6816   7.4977   11.583   11.698 -24.5065   9.7677   57.557   27.557   34.879   17.834 22.67852 32.82405 
1 1 1   -4   37   11 o   45.927   22.416  -0.2135   8.7319  -4.0370   15.320   1.6261   10.627   48.550   24.575   48.874   24.034 -0.3241348 34.37352 
1 1 1   -4   37   12 o   50.747   24.373   5.1955   9.3139  -1.5740   14.651   9.7868   12.066   48.585   24.525   54.369   26.496 -5.784199 36.10416 
1 1 1   -4   37   13 o   54.652   25.981   9.9422   10.020   4.0220   12.607   20.100   16.513   49.889   24.822   57.189   28.447 -7.299934 37.75385 
1 1 1   -4   37   14 o   33.710   17.256 -23.2089   9.3987 -21.7969   11.520 -26.0200   16.255   37.598   19.236   41.520   21.340 -3.922306 28.73016 
1 1 1   -4   37   15 o   51.645   25.167   8.8499   10.884   14.427   12.899  -4.9360   20.282   54.558   26.758   47.329   24.303 7.228809 36.14772 
1 1 1   -4   37   16 o   51.173   25.015   9.3661   10.997   15.928   13.162  -5.8050   20.014   54.336   26.725   46.378   23.830 7.958027 35.80667 
1 1 1   -4   37   17 o   39.629   20.110  -9.9485   10.700   1.2360   21.307 -13.7206   12.374   47.181   24.248   39.945   20.395 7.235649 31.68499 
1 1 1   -4   37   18 o   47.596   23.947   6.7270   13.345  -0.2104   21.807   10.880   16.873   46.223   23.796   48.703   24.769 -2.480038 34.34737 
1 1 1   -4   37   19 o   38.456   19.300  -5.0842   8.3952   7.9668   12.679 -15.2739   11.203   47.444   23.798   37.389   19.116 10.05441 30.52439 
1 1 1   -4   37   20 o   39.974   20.045  -2.6314   8.9606  -1.1522   12.875  -4.0211   12.479   42.844   21.774   41.656   21.196 1.188393 30.38728 
1 1 1   -4   37   21 o   47.350   23.548   10.635   11.293   10.550   21.755   10.667   13.212   45.218   23.301   46.570   23.481 -1.352165 33.08051 
1 1 1   -4   37   22 o   45.729   22.221   7.7239   8.3227   6.0420   20.157   8.0696   9.1381   43.444   22.389   45.571   22.385 -2.126823 31.66010 
1 1 1   -4   37   23 o   36.923   18.561  -2.7366   7.9291   9.4020   17.392  -5.9213   8.9087   42.972   22.087   36.210   18.373 6.762028 28.72945 
1 1 1   -4   37   24 o   30.019   15.372 -14.9138   7.5239 -35.7200   16.738  -9.6453   8.4228   34.667   17.968   33.370   17.020 1.296856 24.74933 
1 1 1   -4   38    1 o   38.997   19.509  -7.7613   8.2582  -9.4238   12.025  -6.2773   11.361   43.177   21.846   43.940   22.107 -0.7630539 31.07934 
1 1 1   -4   38    2 o   39.669   19.660  -5.0502   7.6107 -13.5542   10.884   3.0875   10.647   40.075   20.331   48.854   24.030 -8.778614 31.47716 
1 1 1   -4   38    3 o   51.935   24.865   7.1073   9.5242   25.760   16.526  -2.1687   11.654   60.053   29.616   46.071   23.067 13.98202 37.53925 
1 1 1   -4   38    4 o   44.226   21.944  -2.1489   9.5863 -12.9100   16.547   3.2872   11.761   45.129   23.086   49.013   24.317 -3.884094 33.52985 
1 1 1   -4   38    5 o   48.479   23.437   4.0377   8.9571   4.6710   16.073   3.7524   10.787   50.115   25.344   48.796   24.038 1.319656 34.93024 
1 1 1   -4   38    6 o   46.276   22.618   1.8405   8.9786   14.830   14.816  -5.6984   11.287   54.382   27.033   43.423   21.870 10.95871 34.77217 
1 1 1   -4   38    7 o   48.438   24.056   3.8877   11.625   32.760   16.544 -24.2700   16.338   61.956   30.370   41.627   21.395 20.32861 37.14939 
1 1 1   -4   38    8 o   46.080   23.001   0.7168   11.197  -9.6280   15.790   11.180   15.880   44.483   22.738   51.356   25.875 -6.873020 34.44621 
1 1 1   -4   38    9 o   41.889   20.795  -2.3733   8.6486  -1.5189   10.547  -4.1270   15.110   44.082   22.052   45.392   23.119 -1.309399 31.94973 
1 1 1   -4   38   10 o   42.322   20.999  -1.4765   8.7754  -6.0046   10.944   6.6770   14.686   41.784   21.105   48.637   24.552 -6.852917 32.37617 
1 1 1   -4   38   11 o   59.869   26.972   15.849   8.8164   21.721   12.627   10.263   12.315   57.786   27.911   50.205   24.904 7.581020 37.40634 
1 1 1   -4   38   12 o   43.455   21.467   1.1249   8.8137   10.342   12.721  -7.3832   12.222   49.462   24.662   41.481   21.094 7.980793 32.45278 
1 1 1   -4   38   13 o   46.057   22.442   4.9795   8.6472   9.4839   11.974   0.0696   12.501   48.612   24.188   44.068   22.294 4.543949 32.89452 
1 1 1   -4   38   14 o   46.750   23.143   6.8171   10.433   0.1962   21.057   8.9714   12.011   45.034   23.193   47.665   23.797 -2.630871 33.23002 
1 1 1   -4   38   15 o   40.445   20.645  -7.4629   12.603   5.1590   20.989 -14.5800   15.761   45.237   23.291   40.370   20.754 4.866478 31.19609 
1 1 1   -4   38   16 o   50.548   24.807   15.051   11.142   25.110   13.394  -7.5390   20.073   54.042   26.654   42.501   21.923 11.54162 34.51136 
1 1 1   -4   38   17 o   43.146   21.737   3.7538   11.196  -7.8610   13.171   34.010   21.258   39.646   20.305   48.793   25.045 -9.147366 32.24163 
1 1 1   -4   38   18 o   40.922   20.717   0.5092   10.919   2.7323   12.810  -5.3990   20.883   42.161   21.455   41.551   21.467 0.6092949 30.35074 
1 1 1   -4   38   19 o   40.935   20.265   3.2185   8.0024   10.524   11.153  -4.5345   11.489   44.835   22.465   38.543   19.677 6.292130 29.86414 
1 1 1   -4   38   20 o   41.092   20.370   4.5369   8.1878   14.488   11.571  -5.4421   11.587   45.472   22.798   37.574   19.229 7.897617 29.82457 
1 1 1   -4   38   21 o   36.152   18.225  -1.7555   7.9424  -3.8409   10.549   0.9738   12.068   36.792   18.789   38.847   19.859 -2.055199 27.33901 
1 1 1   -4   38   22 o   37.180   19.004  -0.4765   11.005   9.3830   21.664  -3.9059   12.777   39.319   20.381   36.711   18.868 2.608101 27.77393 
1 1 1   -4   39    1 o   60.009   27.370   18.681   9.4236   15.980   11.295   24.870   17.095   53.254   25.880   52.277   26.401 0.9771423 36.97044 
1 1 1   -4   39    2 o   48.838   23.749   8.7772   9.5500   10.022   11.756   6.3610   16.376   48.683   24.180   46.440   23.690 2.243359 33.85083 
1 1 1   -4   39    3 o   42.163   20.870   0.6489   8.4755   9.7593   12.612  -6.8532   11.445   48.086   24.064   40.423   20.542 7.662292 31.63946 
1 1 1   -4   39    4 o   37.198   18.792  -7.6750   8.7018 -22.7596   12.616   6.0130   12.018   36.571   18.797   46.115   23.137 -9.543945 29.80968 
1 1 1   -4   39    5 o   40.816   20.279  -0.6365   8.2943 -16.1431   11.455   16.456   12.026   37.030   18.963   51.879   25.522 -14.84898 31.79604 
1 1 1   -4   39    6 o   45.840   22.147   5.7433   7.9656  -1.8869   11.199   13.556   11.332   41.800   21.141   50.251   24.732 -8.450428 32.53586 
1 1 1   -4   39    7 o   45.429   22.036   5.6225   8.0851  -1.6643   11.720   12.240   11.168   41.900   21.240   49.128   24.250 -7.227455 32.23656 
1 1 1   -4   39    8 o   45.185   22.140   5.8233   8.7654  -2.5417   12.404   14.167   12.388   41.584   21.157   48.982   24.409 -7.397720 32.30202 
1 1 1   -4   39    9 f   38.679   19.421  -3.0083   8.5503  -8.3678   11.775   2.9698   12.436   38.964   19.894   43.339   21.960 -4.375538 29.63113 
1 1 1   -4   39   10 o   46.409   22.936   9.0871   10.097   24.970   20.373   3.9150   11.626   47.421   24.351   43.291   21.852 4.130180 32.71839 
1 1 1   -4   39   11 o   34.923   17.849 -13.1144   9.6906 -11.9600   19.261 -13.5057   11.213   40.701   21.013   36.378   18.639 4.322815 28.08890 
1 1 1   -4   39   12 o   39.600   20.306  -6.2699   13.603   7.3020   19.362 -19.5000   19.116   43.290   22.292   39.222   20.273 4.068180 30.13218 
1 1 1   -4   39   13 o   39.072   19.830  -2.2741   10.431  -5.7145   12.296   6.5580   19.701   38.781   19.843   42.621   21.973 -3.839622 29.60686 
1 1 1   -4   39   14 o   43.313   21.162   6.4077   7.8384   10.131   10.848   2.3399   11.339   44.445   22.253   40.753   20.683 3.691631 30.38040 
1 1 1   -4   39   15 o   33.744   17.116  -7.1005   7.6934 -16.9610   11.300   1.4193   10.504   34.215   17.589   39.640   20.096 -5.425007 26.70571 
1 1 1   -4   39   16 o   35.717   18.018  -2.7809   7.8331   7.9708   12.425  -9.8720   10.091   41.478   21.110   34.713   17.778 6.765228 27.59892 
1 1 1   -4   39   17 o   42.224   20.976   8.6024   8.8654   0.6753   13.277   14.980   11.909   38.519   19.772   43.538   21.994 -5.018959 29.57474 
1 1 1   -4   39   18 o   34.804   17.867  -7.6424   10.870  -2.8692   12.919 -19.2100   20.112   36.829   18.927   36.159   18.766 0.6692886 26.65293 
1 1 1   -4   39   19 o   39.196   19.954   8.4477   11.162   12.221   13.280  -0.6327   20.601   39.734   20.353   37.165   19.281 2.568565 28.03543 
1 1 1   -4   39   20 o   34.507   17.877 -11.2075   16.071 -23.5200   23.774  -0.8479   21.808   34.811   18.105   36.213   18.809 -1.402824 26.10661 
1 1 1   -4   40    1 o   40.189   19.952   2.3669   7.9689  -4.0171   11.476   8.3110   11.074   38.610   19.708   43.590   21.916 -4.979897 29.47358 
1 1 1   -4   40    2 o   41.312   20.590   3.8600   8.8297   12.484   12.456  -4.8503   12.519   44.880   22.650   38.755   19.844 6.125053 30.11365 
1 1 1   -4   40    3 o   34.767   17.674  -7.8296   8.5247  -5.7136   11.962 -10.0136   12.152   38.165   19.531   37.047   19.010 1.117878 27.25550 
1 1 1   -4   40    4 o   47.977   23.547   14.854   10.048  -2.8840   17.205   24.035   12.378   40.179   20.706   50.464   25.021 -10.28500 32.47764 
1 1 1   -4   40    5 o   33.857   17.302 -11.2355   9.0842 -10.2300   18.841 -11.5400   10.369   39.180   20.247   35.055   17.959 4.124649 27.06372 
1 1 1   -4   40    6 o   34.650   17.712 -10.1190   9.5766   1.3480   19.253 -13.8889   11.039   40.647   20.986   34.821   17.883 5.825687 27.57214 
1 1 1   -4   40    7 o   44.196   22.449   15.084   13.551   15.040   20.100   15.120   18.348   42.334   21.840   42.649   21.950 -0.3154755 30.96443 
1 1 1   -4   40    8 o   37.423   19.078  -3.1428   10.490  -6.1332   12.696   3.2900   18.621   37.483   19.247   40.335   20.817 -2.851543 28.35123 
1 1 1   -4   40    9 o   41.672   20.967   7.5448   10.232  -1.6227   12.109   30.430   19.131   38.225   19.569   44.371   22.814 -6.146366 30.05698 
1 1 1   -4   40   10 o   46.237   22.322   12.040   8.0510   6.4295   10.893   18.795   11.952   40.566   20.554   45.541   22.879 -4.974522 30.75615 
1 1 1   -4   40   11 o   32.996   16.798  -7.1859   7.9124  -1.9888   11.496 -11.8644   10.907   37.193   19.042   34.109   17.530 3.083935 25.88298 
1 1 1   -4   40   12 o   37.736   18.940   2.5117   8.0961  -3.3759   11.767   7.8040   11.156   36.447   18.702   40.046   20.344 -3.599590 27.63417 
1 1 1   -4   40   13 o   38.305   19.188   4.2813   8.1094   4.1123   10.847   4.4954   12.210   38.117   19.429   38.213   19.569 -0.9627914E-01 27.57656 
1 1 1   -4   40   14 o   36.626   18.459   2.4001   8.1145  -4.7049   10.602   12.451   12.609   34.663   17.785   39.823   20.353 -5.160080 27.02877 
1 1 1   -4   40   15 o   38.459   19.193   6.4055   7.7784   4.3832   9.8338   9.7857   12.713   36.963   18.809   38.232   19.606 -1.269775 27.16942 
1 1 1   -4   40   16 o   43.056   21.119   14.097   8.0413   17.939   10.878   9.4666   11.941   41.185   20.831   37.509   19.220 3.675961 28.34271 
1 1 1   -4   40   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   41    1 o   34.137   17.526  -7.2224   10.474  -6.1379   12.502  -9.7760   19.184   35.312   18.171   36.254   18.803 -0.9415169 26.14811 
1 1 1   -4   41    2 o   35.177   18.035  -3.7961   10.688   4.6107   13.003 -21.3100   18.768   37.862   19.443   34.939   18.133 2.922703 26.58615 
1 1 1   -4   41    3 o   40.321   20.439   11.092   10.846   5.7724   13.150   22.410   19.182   38.028   19.529   39.926   20.625 -1.897793 28.40437 
1 1 1   -4   41    4 o   34.709   17.630  -1.5900   8.3614  -1.2289   11.511  -1.9934   12.166   35.933   18.443   35.886   18.444 0.4673004E-01 26.08334 
1 1 1   -4   41    5 o   35.988   18.184   1.5326   8.1690   13.138   11.769  -9.2585   11.348   40.188   20.462   33.683   17.331 6.505684 26.81571 
1 1 1   -4   41    6 o   37.683   18.986   5.1234   8.5519   20.745   11.968 -11.1720   12.224   42.601   21.581   33.515   17.280 9.086205 27.64643 
1 1 1   -4   41    7 f   39.445   19.683   8.3106   8.1712   10.177   11.008   6.0201   12.194   38.838   19.776   37.243   19.106 1.594723 27.49807 
1 1 1   -4   41    8 o   35.600   18.057   2.1646   8.5545  -1.3193   11.679   6.1971   12.565   34.998   17.986   36.903   18.957 -1.905483 26.13178 
1 1 1   -4   41    9 o   36.202   18.310   4.1573   8.4016   9.9652   11.655  -2.1246   12.122   37.705   19.295   34.556   17.787 3.149788 26.24260 
1 1 1   -4   41   10 o   41.126   20.390   12.899   8.2133   18.205   11.100   6.4777   12.210   40.396   20.498   36.151   18.578 4.244320 27.66406 
1 1 1   -4   41   11 o   40.005   19.992   12.977   8.5655   10.798   12.581   14.860   11.695   36.606   18.815   38.092   19.480 -1.485561 27.08224 
1 1 1   -4   41   12 o   35.263   17.951   5.5182   9.0252  -1.1464   12.870   11.967   12.660   33.541   17.311   36.254   18.636 -2.713367 25.43520 
1 1 1   -4   41   13 o   34.125   17.443   4.2109   9.2852   0.3788   12.977   8.2311   13.292   33.266   17.177   34.676   17.884 -1.409706 24.79743 
1 1 1   -4   42    1 o   36.774   18.627   10.871   8.9015   9.1457   12.204   12.832   13.012   34.824   17.922   35.411   18.237 -0.5870323 25.56906 
1 1 1   -4   42    2 o   34.072   17.356   4.5882   8.5372  -4.7280   11.582   15.672   12.633   31.857   16.441   36.084   18.552 -4.226145 24.78899 
1 1 1   -4   42    3 o   33.773   17.184   4.0589   8.1963   5.0251   11.257   2.9686   11.958   33.805   17.387   33.325   17.178 0.4803314 24.44162 
1 1 1   -4   42    4 o   34.162   17.337   5.1787   7.9573 -14.6347   11.112   26.031   11.400   29.666   15.343   39.741   20.225 -10.07487 25.38681 
1 1 1   -4   42    5 o   34.466   17.524   6.6276   8.4097   5.3129   12.523   7.7073   11.349   33.396   17.230   34.050   17.511 -0.6542282 24.56602 
1 1 1   -4   42    6 o   30.746   15.798  -3.1390   8.7965   4.8582   12.789 -10.3202   12.119   33.037   17.059   30.433   15.759 2.604366 23.22389 
1 1 1   -4   42    7 o   30.345   15.614  -4.2903   9.2018  -4.3697   13.188  -4.2150   12.845   31.311   16.220   31.279   16.198 0.3129578E-01 22.92308 
1 1 1   -3    0    1 o  1500.01   21.507  2919.99   83.526  2919.99   83.526  2919.99   83.526  1500.01   21.507  1500.01   21.507 0.000000 0.000000 
1 1 1   -3    0    2 o  1172.84   17.867  1784.51   54.251  1784.51   54.251  1784.51   54.251  1172.84   17.867  1172.84   17.867 0.000000 0.000000 
1 1 1   -3    0    3 o  647.613   12.783  544.094   21.425  544.094   21.425  544.094   21.425  647.613   12.783  647.613   12.783 0.000000 0.000000 
1 1 1   -3    0    4 o  474.103   11.595  291.759   14.220  291.759   14.220  291.759   14.220  474.103   11.595  474.103   11.595 0.000000 0.000000 
1 1 1   -3    0    5 f  262.299   10.952   89.606   7.4118   89.606   7.4118   89.606   7.4118  262.299   10.952  262.299   10.952 0.000000 0.000000 
1 1 1   -3    0    6 o  120.554   13.387   19.520   4.0486   19.520   4.0486   19.520   4.0486  120.554   13.387  120.554   13.387 0.000000 0.000000 
1 1 1   -3    0    7 o  1123.13   17.471  1636.56   50.800  1636.56   50.800  1636.56   50.800  1123.13   17.471  1123.13   17.471 0.000000 0.000000 
1 1 1   -3    0    8 o  274.651   11.491   98.254   8.1428   98.254   8.1428   98.254   8.1428  274.651   11.491  274.651   11.491 0.000000 0.000000 
1 1 1   -3    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    0   10 o  320.064   11.926  133.301   9.8563  133.301   9.8563  133.301   9.8563  320.064   11.926  320.064   11.926 0.000000 0.000000 
1 1 1   -3    0   11 o  151.339   14.604   30.510   5.6027   30.510   5.6027   30.510   5.6027  151.339   14.604  151.339   14.604 0.000000 0.000000 
1 1 1   -3    0   12 o  269.839   12.345   94.964   8.5875   94.964   8.5875   94.964   8.5875  269.839   12.345  269.839   12.345 0.000000 0.000000 
1 1 1   -3    0   13 o  487.912   12.553  309.214   15.841  309.214   15.841  309.214   15.841  487.912   12.553  487.912   12.553 0.000000 0.000000 
1 1 1   -3    0   14 f  462.794   12.523  278.330   14.988  278.330   14.988  278.330   14.988  462.794   12.523  462.794   12.523 0.000000 0.000000 
1 1 1   -3    0   15 o  158.393   17.129   33.716   6.8196   33.716   6.8196   33.716   6.8196  158.393   17.129  158.393   17.129 0.000000 0.000000 
1 1 1   -3    0   16 o   44.323   26.843   2.4398   5.6899   2.4398   5.6899   2.4398   5.6899   44.323   26.843   44.323   26.843 0.000000 0.000000 
1 1 1   -3    0   17 o  257.217   14.025   86.701   9.2808   86.701   9.2808   86.701   9.2808  257.217   14.025  257.217   14.025 0.000000 0.000000 
1 1 1   -3    0   18 o  164.986   19.044   36.789   7.8567   36.789   7.8567   36.789   7.8567  164.986   19.044  164.986   19.044 0.000000 0.000000 
1 1 1   -3    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    0   20 o  145.007   21.005   28.965   7.4082   28.965   7.4082   28.965   7.4082  145.007   21.005  145.007   21.005 0.000000 0.000000 
1 1 1   -3    0   21 o  572.925   13.602  426.281   20.160  426.281   20.160  426.281   20.160  572.925   13.602  572.925   13.602 0.000000 0.000000 
1 1 1   -3    0   22 o  462.366   13.779  277.895   16.469  277.895   16.469  277.895   16.469  462.366   13.779  462.366   13.779 0.000000 0.000000 
1 1 1   -3    0   23 o  205.878   24.330   57.321   12.499   57.321   12.499   57.321   12.499  205.878   24.330  205.878   24.330 0.000000 0.000000 
1 1 1   -3    0   24 o   55.736   34.290   3.1723   9.6137   3.1723   9.6137   3.1723   9.6137   55.736   34.290   55.736   34.290 0.000000 0.000000 
1 1 1   -3    0   25 o  1052.20   17.605  1438.08   47.953  1438.08   47.953  1438.08   47.953  1052.20   17.605  1052.20   17.605 0.000000 0.000000 
1 1 1   -3    0   26 o  1082.77   18.010  1523.48   50.481  1523.48   50.481  1523.48   50.481  1082.77   18.010  1082.77   18.010 0.000000 0.000000 
1 1 1   -3    0   27 o  156.066   28.350   34.684   10.340   34.684   10.340   34.684   10.340  156.066   28.350  156.066   28.350 0.000000 0.000000 
1 1 1   -3    0   28 o  469.952   20.780  289.000   25.183  289.000   25.183  289.000   25.183  469.952   20.780  469.952   20.780 0.000000 0.000000 
1 1 1   -3    0   29 o  118.328   42.241   24.273   11.816   24.273   11.816   24.273   11.816  118.328   42.241  118.328   42.241 0.000000 0.000000 
1 1 1   -3    0   30 o   53.628   34.234   0.9936   10.575   0.9936   10.575   0.9936   10.575   53.628   34.234   53.628   34.234 0.000000 0.000000 
1 1 1   -3    0   31 o  150.415   33.017   33.657   11.260   33.657   11.260   33.657   11.260  150.415   33.017  150.415   33.017 0.000000 0.000000 
1 1 1   -3    0   32 o  236.728   20.602   74.921   12.413   74.921   12.413   74.921   12.413  236.728   20.602  236.728   20.602 0.000000 0.000000 
1 1 1   -3    0   33 o  183.979   23.231   46.544   10.591   46.544   10.591   46.544   10.591  183.979   23.231  183.979   23.231 0.000000 0.000000 
1 1 1   -3    0   34 o  139.525   32.427   29.686   10.193   29.686   10.193   29.686   10.193  139.525   32.427  139.525   32.427 0.000000 0.000000 
1 1 1   -3    0   35 f   44.005   29.826  -4.4635   10.136  -4.4635   10.136  -4.4635   10.136   44.005   29.826   44.005   29.826 0.000000 0.000000 
1 1 1   -3    0   36 o  220.881   22.063   66.580   12.335   66.580   12.335   66.580   12.335  220.881   22.063  220.881   22.063 0.000000 0.000000 
1 1 1   -3    0   37 o  104.649   43.385   21.540   11.700   21.540   11.700   21.540   11.700  104.649   43.385  104.649   43.385 0.000000 0.000000 
1 1 1   -3    0   38 o  168.426   29.286   41.809   11.619   41.809   11.619   41.809   11.619  168.426   29.286  168.426   29.286 0.000000 0.000000 
1 1 1   -3    0   39 o  134.569   37.094   30.312   11.182   30.312   11.182   30.312   11.182  134.569   37.094  134.569   37.094 0.000000 0.000000 
1 1 1   -3    0   40 o  157.878   28.955   37.641   10.665   37.641   10.665   37.641   10.665  157.878   28.955  157.878   28.955 0.000000 0.000000 
1 1 1   -3    0   41 o   49.111   32.049   1.1116   9.9655   1.1116   9.9655   1.1116   9.9655   49.111   32.049   49.111   32.049 0.000000 0.000000 
1 1 1   -3    0   42 o  156.525   30.282   38.241   10.955   38.241   10.955   38.241   10.955  156.525   30.282  156.525   30.282 0.000000 0.000000 
1 1 1   -3    0   43 o   83.224   41.511   16.779   10.886   16.779   10.886   16.779   10.886   83.224   41.511   83.224   41.511 0.000000 0.000000 
1 1 1   -3    0   44 o  159.734   33.929   42.556   12.342   42.556   12.342   42.556   12.342  159.734   33.929  159.734   33.929 0.000000 0.000000 
1 1 1   -3    0   45 o  221.203   25.592   74.222   14.153   74.222   14.153   74.222   14.153  221.203   25.592  221.203   25.592 0.000000 0.000000 
1 1 1   -3    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    0   47 o   90.004   43.726   23.393   11.949   23.393   11.949   23.393   11.949   90.004   43.726   90.004   43.726 0.000000 0.000000 
1 1 1   -3    0   48 o   55.787   36.527   8.8764   13.106   8.8764   13.106   8.8764   13.106   55.787   36.527   55.787   36.527 0.000000 0.000000 
1 1 1   -3    0   49 o   77.159   43.486   22.947   13.252   22.947   13.252   22.947   13.252   77.159   43.486   77.159   43.486 0.000000 0.000000 
1 1 1   -3    0   50 o  163.159   32.502   51.002   12.196   51.002   12.196   51.002   12.196  163.159   32.502  163.159   32.502 0.000000 0.000000 
1 1 1   -3    1    1 o  876.645   10.447  995.982   23.723  991.865   33.458  1000.14   33.641  874.546   14.769  878.187   14.789 -3.640930 20.90084 
1 1 1   -3    1    2 o  1338.55   13.911  2323.26   48.233  2288.79   67.257  2359.76   69.208  1327.83   19.554  1348.22   19.817 -20.38745 27.84072 
1 1 1   -3    1    3 o  565.783   8.5783  414.776   12.572  411.880   17.729  417.706   17.830  563.677   12.142  567.651   12.126 -3.973389 17.16048 
1 1 1   -3    1    4 o  217.090   7.5880   61.059   4.2669   62.186   6.0660   59.956   6.0032  219.046   10.691  214.807   10.824 4.238434 15.21361 
1 1 1   -3    1    5 o  652.281   9.1429  551.336   15.448  544.096   21.690  558.790   22.007  647.815   12.926  656.503   12.941 -8.688293 18.29063 
1 1 1   -3    1    6 o  196.231   11.511   50.085   5.8256   50.085   5.8256   0.0000   0.0000  196.231   11.511  ?   ?  0.000000 11.51149 
1 1 1   -3    1    7 o  912.347   10.842  1078.88   25.621  1079.77   36.279  1077.99   36.189  912.372   15.351  911.622   15.326 0.7503052 21.69151 
1 1 1   -3    1    8 o  148.470   9.4065   28.681   3.5989   30.872   5.2311   26.712   4.9589  153.732   13.267  142.883   13.561 10.84811 18.97103 
1 1 1   -3    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    1   10 o  277.664   8.5183   99.907   6.1266  102.592   8.7565   97.333   8.5751  281.294   12.018  273.988   12.083 7.306183 17.04149 
1 1 1   -3    1   11 o  491.532   8.7361  313.110   11.123  313.539   15.774  312.686   15.687  491.713   12.384  491.046   12.333 0.6670837 17.47784 
1 1 1   -3    1   12 o  452.840   8.6037  265.773   10.092  262.249   14.107  269.466   14.444  449.676   12.111  455.815   12.233 -6.139282 17.21430 
1 1 1   -3    1   13 o  979.878   11.491  1245.40   29.167  1242.93   41.277  1247.86   41.221  978.177   16.291  980.122   16.236 -1.945618 23.00012 
1 1 1   -3    1   14 o  400.600   8.7609  208.079   9.0909  209.824   12.978  206.397   12.738  402.048   12.462  398.760   12.332 3.287201 17.53246 
1 1 1   -3    1   15 o  537.726   9.1312  375.140   12.719  373.171   18.031  377.089   17.943  535.839   12.991  538.663   12.859 -2.824646 18.27916 
1 1 1   -3    1   16 o  508.883   9.1822  336.156   12.104  333.947   17.171  338.337   17.063  506.616   13.085  509.965   12.917 -3.348907 18.38679 
1 1 1   -3    1   17 o  293.623   9.2584  111.926   7.0417  113.451   10.100  110.485   9.8228  295.254   13.206  291.389   13.014 3.864502 18.54083 
1 1 1   -3    1   18 o  514.022   9.2641  342.854   12.335  342.901   17.664  342.810   17.233  513.543   13.279  513.523   12.955 0.2020264E-01 18.55153 
1 1 1   -3    1   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    1   20 o  387.424   9.3366  194.597   9.3697  192.111   13.257  197.077   13.244  384.740   13.303  389.692   13.120 -4.952026 18.68451 
1 1 1   -3    1   21 o  164.339   13.028   35.256   5.5002   33.106   7.7156   37.477   7.8429  158.448   19.190  168.860   18.219 -10.41205 26.46158 
1 1 1   -3    1   22 o  804.531   10.800  839.211   22.506  821.116   31.362  858.424   32.317  795.391   15.222  813.246   15.341 -17.85492 21.61154 
1 1 1   -3    1   23 f  643.209   10.654  536.391   17.750  514.643   24.502  560.412   25.750  629.708   15.021  657.103   15.128 -27.39526 21.31905 
1 1 1   -3    1   24 o  468.389   10.289  284.444   12.483  285.669   17.806  283.260   17.506  469.141   14.653  467.171   14.466 1.969330 20.59056 
1 1 1   -3    1   25 o  225.727   13.166   66.344   7.6649   73.642   11.209   59.934   10.505  237.298   18.379  213.828   19.170 23.46989 26.55666 
1 1 1   -3    1   26 o  310.600   11.133  125.144   8.9571  113.806   12.527  137.006   12.813  295.469   16.432  324.764   15.231 -29.29520 22.40523 
1 1 1   -3    1   27 o  444.280   10.840  256.079   12.475  246.821   17.692  265.232   17.592  435.771   15.674  451.796   15.032 -16.02472 21.71690 
1 1 1   -3    1   28 o  438.845   14.999  250.365   17.050  240.200   24.131  260.500   24.095  428.406   21.818  446.863   20.816 -18.45770 30.15487 
1 1 1   -3    1   29 o  460.410   10.711  275.155   12.774  277.891   18.597  272.711   17.577  462.125   15.536  457.895   14.820 4.230865 21.47067 
1 1 1   -3    1   30 o  161.035   18.275   34.270   7.4879   30.505   9.8860   39.337   11.468  150.163   26.378  170.916   26.784 -20.75237 37.59247 
1 1 1   -3    1   31 o  214.250   14.718   60.090   8.1186   56.773   12.043   62.854   10.992  206.645   22.882  218.258   19.654 -11.61374 30.16394 
1 1 1   -3    1   32 o  328.358   11.794  140.324   10.032  144.182   14.107  136.376   14.269  332.090   16.399  322.395   17.148 9.695374 23.72708 
1 1 1   -3    1   33 o  299.128   11.730  116.582   9.0891   96.651   12.654  137.827   13.064  270.656   18.154  324.515   15.542 -53.85825 23.89780 
1 1 1   -3    1   34 o   79.975   26.701   8.2089   6.4911  -7.2755   8.5088   29.765   10.039   53.848   25.071  146.580   27.450 -92.73186 37.17597 
1 1 1   -3    1   35 o  147.849   21.512   29.668   7.9968   35.802   11.348   23.617   11.271  160.281   28.372  128.306   33.537 31.97495 43.92836 
1 1 1   -3    1   36 o   75.988   27.921   6.5918   7.2128  -8.7072   10.845   18.727   9.6587   60.689   28.272  114.397   31.565 -53.70823 42.37549 
1 1 1   -3    1   37 f  178.518   23.949   43.841   10.795   64.870   15.046   21.530   15.497  215.852   27.537  121.859   41.254 93.99292 49.59968 
1 1 1   -3    1   38 o  118.254   23.967   19.689   7.0900   26.734   9.5122   10.882   10.635  136.685   27.813   92.602   33.922 44.08209 43.86590 
1 1 1   -3    1   39 o   80.782   27.187   8.8359   6.7304   13.999   9.8368   4.2912   9.2287   98.818   32.864   74.273   30.323 24.54545 44.71603 
1 1 1   -3    1   40 o  188.665   16.979   48.145   8.2087   56.831   12.084   40.702   11.186  201.315   23.622  168.341   26.531 32.97414 35.52287 
1 1 1   -3    1   41 o  124.949   24.216   22.513   7.5547   12.189   10.506   33.567   10.871   92.969   33.767  150.309   28.972 -57.34015 44.49256 
1 1 1   -3    1   42 o  127.898   23.469   23.596   7.4887   28.767   10.913   18.993   10.295  136.425   31.517  109.903   33.292 26.52172 45.84416 
1 1 1   -3    1   43 o  134.675   24.506   26.572   8.2338   29.819   11.745   23.434   11.546  136.364   33.495  119.579   35.026 16.78419 48.46338 
1 1 1   -3    1   44 o  113.802   26.633   19.784   7.7119   3.2499   11.091   35.261   10.731   73.494   31.775  151.620   28.365 -78.12589 42.59348 
1 1 1   -3    1   45 f  158.882   20.637   36.340   8.2927   25.450   11.659   47.489   11.797  121.031   35.125  176.435   26.644 -55.40408 44.08658 
1 1 1   -3    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    1   47 o  137.446   27.247   30.311   9.3579   39.444   13.437   21.709   13.040  147.168   35.629  105.204   37.698 41.96351 51.87085 
1 1 1   -3    1   48 o   76.612   29.413   9.1967   8.1953   6.0477   11.623   12.310   11.557   74.071   32.274   84.766   34.178 -10.69572 47.00769 
1 1 1   -3    1   49 o   57.104   25.597   0.5511   7.8297  -3.1271   9.8834   6.7494   12.830   57.284   26.787   74.912   33.223 -17.62778 42.67665 
1 1 1   -3    1   50 o   83.811   31.530   13.451   9.3007   8.0194   12.981   19.182   13.332   74.598   33.232   91.961   36.839 -17.36272 49.61347 
1 1 1   -3    2    1 o  553.087   8.4858  396.366   12.157  388.057   17.027  405.006   17.364  547.140   12.014  558.961   11.992 -11.82153 16.97535 
1 1 1   -3    2    2 o  610.738   8.8263  483.321   13.963  486.777   19.828  479.921   19.667  612.772   12.492  608.442   12.479 4.330078 17.65670 
1 1 1   -3    2    3 o  587.737   8.7321  447.600   13.294  453.599   18.936  441.770   18.667  591.524   12.359  583.760   12.345 7.763733 17.46833 
1 1 1   -3    2    4 o  859.262   10.413  956.895   23.176  953.396   32.714  960.421   32.838  857.401   14.730  860.554   14.731 -3.153137 20.83215 
1 1 1   -3    2    5 o  590.936   8.8368  452.497   13.527  460.385   19.283  444.855   18.980  595.918   12.492  585.780   12.508 10.13800 17.67803 
1 1 1   -3    2    6 o  389.938   8.0634  197.012   8.1445  196.912   11.532  197.112   11.505  389.757   11.422  389.956   11.389 -0.1990356 16.13023 
1 1 1   -3    2    7 o  1436.80   14.791  2677.56   55.047  2731.42   79.403  2627.72   76.381  1450.09   21.139  1422.37   20.731 27.71472 29.60826 
1 1 1   -3    2    8 o  790.318   11.645  809.702   23.840  818.300   41.411  805.440   29.156  793.773   20.140  788.052   14.283 5.721741 24.69083 
1 1 1   -3    2    9 o  422.340   17.102  231.500   18.709  231.500   18.709   0.0000   0.0000  422.340   17.102  ?   ?  0.000000 17.10179 
1 1 1   -3    2   10 o  500.886   8.7269  325.126   11.323  321.257   15.910  329.097   16.118  497.752   12.340  503.788   12.351 -6.035858 17.45898 
1 1 1   -3    2   11 o  572.826   9.0511  425.271   13.430  426.433   19.068  424.127   18.919  573.407   12.838  571.858   12.772 1.548401 18.10872 
1 1 1   -3    2   12 o  314.216   8.7348  127.967   7.1094  122.245   9.9940  133.828   10.116  306.991   12.568  321.222   12.157 -14.23123 17.48569 
1 1 1   -3    2   13 o  505.207   8.8881  330.871   11.631  331.088   16.488  330.655   16.411  505.138   12.601  504.811   12.550 0.3269348 17.78461 
1 1 1   -3    2   14 o  478.466   8.8807  296.856   11.006  297.137   15.672  296.583   15.461  478.397   12.647  477.965   12.488 0.4322510 17.77344 
1 1 1   -3    2   15 o  221.319   9.6283   63.567   5.5198   65.589   7.9270   61.665   7.6906  224.164   13.718  217.329   13.732 6.835526 19.41002 
1 1 1   -3    2   16 o  310.801   9.2913  125.406   7.4802  120.597   10.756  129.909   10.409  304.367   13.643  316.005   12.717 -11.63879 18.65085 
1 1 1   -3    2   17 o  281.701   9.6469  103.039   7.0392  109.398   10.198   97.252   9.7283  289.903   13.581  272.969   13.803 16.93341 19.36412 
1 1 1   -3    2   18 o  304.880   9.8584  120.638   7.7855  117.889   11.114  123.288   10.910  301.044   14.252  307.914   13.678 -6.869995 19.75399 
1 1 1   -3    2   19 o  469.575   20.306  287.400   24.700  287.400   24.700   0.0000   0.0000  469.575   20.306  ?   ?  0.000000 20.30643 
1 1 1   -3    2   20 o  623.674   9.7722  504.324   15.787  502.451   22.523  506.132   22.134  622.160   13.976  624.464   13.684 -2.303589 19.55953 
1 1 1   -3    2   21 o  744.964   10.389  719.526   20.048  720.062   28.386  718.994   28.319  744.848   14.713  744.299   14.688 0.5499268 20.78967 
1 1 1   -3    2   22 o  218.860   12.445   62.326   7.0259   65.776   9.5799   58.310   10.335  224.465   16.594  210.971   19.120 13.49364 25.31671 
1 1 1   -3    2   23 o  313.608   12.078  127.551   9.8113  131.572   13.966  123.634   13.786  317.847   17.025  308.046   17.348 9.800446 24.30654 
1 1 1   -3    2   24 o  623.277   10.303  503.677   16.634  495.562   23.642  511.631   23.407  617.884   14.771  627.857   14.392 -9.972900 20.62365 
1 1 1   -3    2   25 o  527.434   10.214  360.723   13.955  366.294   20.247  355.682   19.261  531.152   14.716  523.445   14.205 7.706848 20.45357 
1 1 1   -3    2   26 o  841.927   11.318  919.574   24.684  921.367   35.204  917.841   34.619  842.029   16.140  840.458   15.902 1.571289 22.65798 
1 1 1   -3    2   27 o  203.292   14.310   53.950   7.4874   52.760   12.140   54.681   9.5118  199.597   23.960  204.183   18.174 -4.586227 30.07326 
1 1 1   -3    2   28 o  349.929   16.129  159.291   14.620  157.400   19.534  161.700   22.044  346.536   21.874  350.749   24.415 -4.213104 32.78101 
1 1 1   -3    2   29 o  283.452   12.078  104.358   8.8678  103.041   12.756  105.591   12.336  280.658   17.636  284.246   16.830 -3.588531 24.37786 
1 1 1   -3    2   30 o  359.306   11.451  167.719   10.657  171.824   15.340  163.890   14.817  363.102   16.310  354.645   16.129 8.457397 22.93798 
1 1 1   -3    2   31 o  432.090   10.733  242.605   12.013  224.853   16.856  260.928   17.125  415.208   15.673  447.451   14.776 -32.24353 21.53964 
1 1 1   -3    2   32 o  140.183   21.318   26.422   7.4971   37.578   10.657   15.490   10.549  166.632   25.502  107.489   33.903 59.14326 42.42317 
1 1 1   -3    2   33 o  224.096   13.323   65.779   7.6990   76.975   11.681   57.178   10.237  241.198   18.846  207.569   19.260 33.62917 26.94636 
1 1 1   -3    2   34 o  124.833   22.535   21.316   7.0188   15.778   9.4765   28.046   10.446  106.578   31.864  141.536   29.452 -34.95725 43.39098 
1 1 1   -3    2   35 o  202.249   15.858   54.122   8.2412   47.102   11.670   61.107   11.640  185.697   24.887  213.224   21.362 -27.52699 32.79778 
1 1 1   -3    2   36 o  184.898   15.945   45.392   7.5622   32.833   11.981   53.709   9.7497  151.549   31.546  200.247   19.025 -48.69748 36.83870 
1 1 1   -3    2   37 o   45.555   22.450 -19.1495   9.4412 -14.5400   12.727 -24.7900   14.079   60.890   29.040   57.344   28.089 3.545937 40.40194 
1 1 1   -3    2   38 o  105.522   27.330   16.009   7.5297   6.4031   10.843   24.954   10.464   83.130   33.251  130.457   31.354 -47.32658 45.70228 
1 1 1   -3    2   39 o   85.976   27.163   10.403   6.7694   11.971   9.2955   8.6322   9.8777   92.838   31.941   85.247   32.394 7.590805 45.49327 
1 1 1   -3    2   40 o  203.258   16.039   55.599   8.3758   61.193   11.379   48.983   12.374  210.466   21.159  184.809   26.616 25.65680 34.00142 
1 1 1   -3    2   41 o   72.845   26.742   6.6582   6.6149   10.991   9.7592   2.9762   8.9969   89.227   32.524   69.857   29.351 19.37027 43.80938 
1 1 1   -3    2   42 o  105.951   27.453   16.886   7.5957   4.8397   10.947   28.071   10.548   77.504   32.460  135.114   30.821 -57.60964 44.76134 
1 1 1   -3    2   43 o  111.539   26.187   18.696   7.4366   11.948   9.7868   27.914   11.439   90.049   32.608  131.735   33.459 -41.68592 46.72063 
1 1 1   -3    2   44 o   46.644   22.294  -8.2398   7.5868  -5.6982   10.963 -10.5757   10.510   60.974   28.412   54.540   26.114 6.434174 38.58981 
1 1 1   -3    2   45 o   93.413   30.619   14.123   8.5499   5.1729   12.310   22.466   11.884   77.479   33.486  112.730   36.030 -35.25064 49.18868 
1 1 1   -3    2   46 o  105.910   37.681   21.101   13.006   28.110   18.234   13.840   18.558  114.061   43.853   93.523   40.764 20.53771 59.87352 
1 1 1   -3    2   47 o   49.234   23.383  -6.4814   8.0781  -8.3091   10.676  -4.0338   12.355   55.295   26.434   63.685   29.834 -8.389992 39.85967 
1 1 1   -3    2   48 o  141.142   25.794   31.811   9.0827   36.737   12.452   26.210   13.277  141.482   34.327  112.518   38.184 28.96468 51.34589 
1 1 1   -3    2   49 o   99.288   29.798   17.685   8.2757   15.137   13.223   19.325   10.611   87.716   36.109   98.895   34.121 -11.17860 49.67970 
1 1 1   -3    2   50 o   47.229   22.942  -9.2402   8.8495  -4.7416   12.672 -13.5224   12.364   60.258   28.804   52.899   25.995 7.359684 38.79989 
1 1 1   -3    3    1 f  671.383   9.2040  584.101   16.007  597.100   32.620  579.979   18.370  678.270   18.567  668.953   10.602 9.317139 21.38009 
1 1 1   -3    3    2 o  873.151   10.498  988.087   23.742  978.691   33.347  997.746   33.811  868.695   14.820  877.106   14.882 -8.410767 21.00236 
1 1 1   -3    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    3    4 o  503.653   8.4303  328.684   10.998  329.747   15.598  327.633   15.510  504.353   11.940  502.735   11.910 1.618225 16.86447 
1 1 1   -3    3    5 o  657.634   9.2315  560.437   15.726  558.460   22.211  562.424   22.268  656.292   13.065  658.619   13.053 -2.326111 18.46812 
1 1 1   -3    3    6 o  820.179   10.237  871.840   21.750  865.565   30.640  878.213   30.878  816.941   14.479  822.888   14.486 -5.946289 20.48189 
1 1 1   -3    3    7 o  929.589   11.002  1120.10   26.493  1118.47   37.432  1121.73   37.501  928.537   15.563  929.886   15.569 -1.348938 22.01388 
1 1 1   -3    3    8 o  209.171   16.592   57.130   8.9159   57.130   8.9159   0.0000   0.0000  209.171   16.592  ?   ?  0.000000 16.59185 
1 1 1   -3    3    9 o  375.326   9.6716  182.573   9.4028  172.500   16.640  187.298   11.397  364.534   17.623  380.095   11.575 -15.56082 21.08439 
1 1 1   -3    3   10 o  767.205   10.050  762.943   19.972  754.693   28.048  771.427   28.444  762.741   14.196  771.147   14.240 -8.405640 20.10757 
1 1 1   -3    3   11 o  241.854   8.9135   75.811   5.5841   74.599   7.8760   77.035   7.9184  239.488   12.742  243.389   12.603 -3.901016 17.92189 
1 1 1   -3    3   12 o  389.528   8.6406  196.666   8.7183  195.307   12.250  198.060   12.411  388.034   12.188  390.756   12.261 -2.722229 17.28812 
1 1 1   -3    3   13 o  438.363   8.7991  249.119   9.9913  248.136   14.035  250.130   14.227  437.290   12.390  439.035   12.510 -1.744965 17.60759 
1 1 1   -3    3   14 o   49.280   19.406   1.7790   3.6397   1.5091   4.9873   2.0865   5.3239   54.872   22.334   58.015   23.266 -3.143311 32.25031 
1 1 1   -3    3   15 o  550.543   9.1633  393.330   13.067  389.317   18.455  397.366   18.506  547.179   13.021  552.823   12.923 -5.643860 18.34512 
1 1 1   -3    3   16 o   65.152   20.595   5.4836   3.8912  -0.7424   5.9900   10.029   5.1183   53.818   23.309   85.847   22.678 -32.02916 32.52127 
1 1 1   -3    3   17 o  486.123   9.2682  306.762   11.671  303.758   16.537  309.743   16.473  483.169   13.213  487.937   13.033 -4.767059 18.55936 
1 1 1   -3    3   18 o  521.742   18.541  355.000   25.058  355.000   25.058   0.0000   0.0000  521.742   18.541  ?   ?  0.000000 18.54135 
1 1 1   -3    3   19 o  695.402   14.351  628.197   25.850  610.600   36.350  646.200   36.768  684.527   20.501  704.271   20.155 -19.74414 28.74892 
1 1 1   -3    3   20 o  669.222   9.9793  580.686   17.299  572.849   24.428  588.568   24.501  664.315   14.196  673.383   14.046 -9.068237 19.97075 
1 1 1   -3    3   21 o  1227.74   13.494  1955.68   42.915  1983.84   61.516  1928.98   59.899  1235.44   19.223  1218.29   18.981 17.14673 27.01477 
1 1 1   -3    3   22 o  326.308   10.766  138.051   9.0995  139.201   12.527  136.767   13.239  327.510   14.767  324.589   15.747 2.920746 21.58735 
1 1 1   -3    3   23 o  308.494   11.746  123.419   9.3863  123.698   13.971  123.188   12.672  308.096   17.579  307.625   15.958 0.4709473 23.74175 
1 1 1   -3    3   24 o  215.584   13.772   60.557   7.6504   61.451   10.827   59.665   10.812  216.526   19.513  213.296   19.795 3.229568 27.79559 
1 1 1   -3    3   25 o  603.760   10.263  472.697   16.050  470.411   22.870  474.915   22.530  601.914   14.668  604.818   14.381 -2.904175 20.54207 
1 1 1   -3    3   26 o  462.296   10.239  277.179   12.262  278.043   17.875  276.412   16.851  462.658   14.916  461.370   14.100 1.287201 20.52545 
1 1 1   -3    3   27 o  1110.44   12.903  1601.01   37.114  1631.12   53.433  1572.95   51.590  1119.38   18.428  1099.33   18.117 20.04626 25.84233 
1 1 1   -3    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    3   29 o  220.648   14.566   63.599   8.2784   60.579   11.595   66.738   11.823  214.288   21.167  225.137   20.498 -10.84911 29.46482 
1 1 1   -3    3   30 o  206.867   14.943   56.009   7.9533   45.466   11.414   65.957   11.088  184.492   24.490  223.855   19.312 -39.36377 31.18776 
1 1 1   -3    3   31 o  352.403   11.356  161.453   10.366  143.437   14.422  180.706   14.909  330.984   16.878  372.222   15.463 -41.23773 22.89013 
1 1 1   -3    3   32 o  396.424   10.938  204.431   11.232  199.746   15.691  209.355   16.085  390.995   15.493  400.284   15.513 -9.289276 21.92447 
1 1 1   -3    3   33 o   70.987   26.374   5.3209   6.4678   7.0668   9.1118   3.5478   9.1823   82.662   31.185   74.824   30.361 7.838112 43.52315 
1 1 1   -3    3   34 o   55.542   23.658   0.2379   5.9786   1.1251   7.5065  -1.3012   9.8872   63.710   26.791   67.836   29.656 -4.126408 39.96561 
1 1 1   -3    3   35 o  291.794   11.812  111.252   8.9279  103.033   12.534  119.716   12.720  278.856   17.440  301.053   16.373 -22.19681 23.92124 
1 1 1   -3    3   36 o  283.206   12.763  105.105   9.3628  105.398   13.383  104.824   13.103  281.252   18.473  280.628   18.123 0.6244812 25.87813 
1 1 1   -3    3   37 o  292.295   18.270  114.145   13.763  124.500   19.422  103.700   19.507  301.318   25.113  273.019   27.979 28.29892 37.59583 
1 1 1   -3    3   38 o  159.757   18.900   34.626   7.6696   40.119   11.935   30.763   10.010  167.684   28.498  146.959   27.300 20.72510 39.46474 
1 1 1   -3    3   39 o  207.363   16.139   57.664   8.6003   52.613   12.245   62.582   12.082  193.485   25.018  212.915   22.235 -19.42982 33.47091 
1 1 1   -3    3   40 o  186.659   15.620   46.868   7.4827   40.409   10.461   53.634   10.707  168.654   24.677  196.722   21.355 -28.06831 32.63423 
1 1 1   -3    3   41 o  119.959   23.041   20.634   6.8994   18.246   9.8808   22.906   9.6382  108.727   32.544  122.615   30.478 -13.88806 44.58711 
1 1 1   -3    3   42 f   79.374   28.537   8.5766   7.4786   12.540   10.589   4.6317   10.564   92.898   33.875   76.209   31.900 16.68935 46.53103 
1 1 1   -3    3   43 o   88.104   29.427   11.640   7.8843   4.7955   10.618   20.051   11.771   75.866   31.882  110.275   35.915 -34.40940 48.02430 
1 1 1   -3    3   44 o   94.902   29.214   14.130   7.8857   12.001   11.954   15.771   10.493   90.409   35.298   98.498   33.933 -8.088837 48.96320 
1 1 1   -3    3   45 o  287.041   14.086  111.772   10.473   98.148   15.055  124.548   14.579  259.212   22.650  297.032   19.048 -37.81998 29.59474 
1 1 1   -3    3   46 o   50.609   25.230 -25.7321   13.293 -46.6500   19.751  -8.4130   17.972   55.944   28.268   71.524   34.221 -15.58080 44.38622 
1 1 1   -3    3   47 o   97.326   30.405   16.336   8.5062   21.206   13.032   12.720   11.228  103.681   37.615   86.653   34.097 17.02827 50.76915 
1 1 1   -3    3   48 o   59.954   27.134  -0.0261   9.0427   2.9859   13.000  -2.8498   12.587   71.564   32.448   64.344   30.133 7.220543 44.28170 
1 1 1   -3    3   49 o   65.593   28.347   4.3275   8.8195   7.5633   12.291   0.8924   12.663   75.188   32.962   67.189   31.040 7.999084 45.27651 
1 1 1   -3    3   50 o   65.068   26.424   6.0329   6.9612   6.0745   9.4519   5.9835   10.291   68.114   29.391   68.903   30.185 -0.7892456 42.13054 
1 1 1   -3    4    1 o  709.107   9.4935  651.616   17.438  662.542   24.908  641.113   24.420  714.823   13.452  703.171   13.407 11.65240 18.99251 
1 1 1   -3    4    2 o  864.508   10.490  968.638   23.490  967.900   47.211  968.881   27.080  863.258   21.113  864.516   12.093 -1.257996 24.33127 
1 1 1   -3    4    3 o  687.818   9.3874  613.075   16.725  606.912   23.507  619.392   23.802  684.161   13.265  691.157   13.295 -6.996338 18.78024 
1 1 1   -3    4    4 o  924.422   10.935  1107.64   26.184  1124.26   37.422  1091.70   36.650  930.964   15.518  917.394   15.423 13.57080 21.87902 
1 1 1   -3    4    5 o  1655.61   16.563  3556.51   71.031  3577.18  101.063  3536.33   99.854  1658.89   23.519  1649.43   23.371 9.462891 33.15673 
1 1 1   -3    4    6 o  521.721   8.6636  352.710   11.708  354.341   16.612  351.099   16.504  522.794   12.267  520.398   12.243 2.395874 17.33167 
1 1 1   -3    4    7 o  641.561   12.964  533.706   21.544  542.000   30.739  525.700   30.202  646.148   18.366  636.361   18.323 9.786743 25.94268 
1 1 1   -3    4    8 o  601.982   18.479  470.500   28.814  470.500   28.814   0.0000   0.0000  601.982   18.479  ?   ?  0.000000 18.47857 
1 1 1   -3    4    9 o  561.561   8.9979  408.682   13.088  410.646   18.583  406.748   18.438  562.732   12.748  560.057   12.709 2.674683 18.00141 
1 1 1   -3    4   10 o  530.000   8.8792  364.049   12.190  358.963   17.206  369.174   17.273  526.108   12.625  533.546   12.498 -7.437927 17.76513 
1 1 1   -3    4   11 o  780.516   10.202  789.783   20.626  792.069   29.272  787.528   29.069  781.260   14.465  779.023   14.405 2.236877 20.41433 
1 1 1   -3    4   12 f  376.250   8.7483  183.502   8.5261  182.947   12.162  184.038   11.956  375.515   12.504  376.646   12.254 -1.130890 17.50749 
1 1 1   -3    4   13 o  147.216   11.400   28.288   4.3131   26.038   6.4533   30.104   5.7985  140.313   18.183  151.491   14.973 -11.17743 23.55429 
1 1 1   -3    4   14 o  517.000   9.0411  346.719   12.108  347.890   17.062  345.532   17.184  517.476   12.729  515.702   12.864 1.774048 18.09725 
1 1 1   -3    4   15 o  405.013   8.9077  212.887   9.3451  218.505   13.218  207.272   13.214  409.922   12.448  399.203   12.779 10.71826 17.83985 
1 1 1   -3    4   16 o  274.004   9.8895   97.511   7.0191   93.453   9.9811  101.481   9.8729  267.433   14.462  279.173   13.653 -11.74026 19.88846 
1 1 1   -3    4   17 o  344.563   9.3982  154.109   8.3881  162.395   12.220  146.727   11.535  353.302   13.353  335.837   13.260 17.46552 18.81800 
1 1 1   -3    4   18 o  473.191   18.234  291.800   22.350  291.800   22.350   0.0000   0.0000  473.191   18.234  ?   ?  0.000000 18.23443 
1 1 1   -3    4   19 o  470.536   9.4787  287.101   11.553  278.147   16.282  296.180   16.395  462.844   13.581  477.641   13.251 -14.79654 18.97460 
1 1 1   -3    4   20 o  685.773   10.125  609.755   17.985  608.523   25.509  610.973   25.362  684.700   14.383  686.088   14.271 -1.388306 20.26135 
1 1 1   -3    4   21 o  646.637   10.014  542.072   16.774  545.731   23.878  538.507   23.569  648.501   14.215  644.202   14.124 4.298889 20.03883 
1 1 1   -3    4   22 o  878.672   11.417  1001.15   25.986  979.039   36.076  1024.99   37.462  868.403   16.038  888.519   16.277 -20.11621 22.85077 
1 1 1   -3    4   23 o  141.537   21.780   26.664   7.7291   26.295   11.254   26.994   10.634  139.070   31.916  141.123   30.013 -2.053726 43.81140 
1 1 1   -3    4   24 o  205.822   14.242   55.247   7.5463   56.082   11.125   54.535   10.271  206.539   21.089  203.838   19.697 2.700928 28.85741 
1 1 1   -3    4   25 o  406.132   10.294  213.898   10.830  214.215   15.543  213.599   15.098  406.159   14.774  405.602   14.370 0.5563965 20.60982 
1 1 1   -3    4   26 o  332.715   11.431  143.627   9.8513  137.676   14.351  148.930   13.547  324.946   17.110  338.554   15.448 -13.60754 23.05227 
1 1 1   -3    4   27 o  110.219   26.850   16.539   7.5947   25.191   11.148   9.0448   10.375  135.709   32.197   91.753   33.521 43.95580 46.47891 
1 1 1   -3    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    4   29 o   75.339   28.238   5.6255   7.4466  -1.5830   10.705   12.385   10.366   71.342   31.030   99.829   33.739 -28.48673 45.83891 
1 1 1   -3    4   30 o  344.065   11.657  153.843   10.389  150.231   15.180  157.026   14.249  338.868   17.352  347.105   15.848 -8.237549 23.49996 
1 1 1   -3    4   31 o  195.968   16.102   50.464   8.1015   53.147   11.875   48.127   11.081  199.605   23.412  189.917   22.993 9.688705 32.81440 
1 1 1   -3    4   32 o  259.907   13.311   88.310   8.9316   98.380   12.936   79.136   12.347  273.251   18.383  244.630   19.651 28.62099 26.90896 
1 1 1   -3    4   33 o  188.169   15.780   46.712   7.6204   38.686   11.182   53.671   10.412  168.208   26.545  200.652   20.313 -32.44376 33.42568 
1 1 1   -3    4   34 o  200.995   15.019   53.274   7.7632   47.434   10.377   60.699   11.700  187.727   21.742  212.712   21.530 -24.98506 30.59831 
1 1 1   -3    4   35 o  376.747   10.357  185.117   10.107  185.101   14.286  185.132   14.302  375.415   14.690  375.441   14.706 -0.2630615E-01 20.78670 
1 1 1   -3    4   36 f  224.093   14.642   66.344   8.4525   71.948   11.681   60.184   12.246  231.628   19.654  210.435   22.833 21.19347 30.12708 
1 1 1   -3    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    4   38 o  237.026   14.794   74.630   9.0376   78.442   12.993   71.056   12.580  239.987   21.115  228.103   21.546 11.88400 30.16761 
1 1 1   -3    4   39 o   73.232   27.449   6.2276   7.0361   3.8260   10.749   8.0281   9.3070   77.033   32.206   82.561   31.428 -5.527725 44.99907 
1 1 1   -3    4   40 o   99.954   26.574   14.671   6.9989   13.153   11.165   15.653   8.9832   96.384   34.839  102.189   31.131 -5.805206 46.72174 
1 1 1   -3    4   41 o  251.206   14.008   84.395   9.0786   74.536   13.130   93.425   12.566  230.568   22.262  261.187   18.698 -30.61928 29.07226 
1 1 1   -3    4   42 o   87.539   28.906   11.296   7.6149   16.417   10.928   6.4640   10.617  102.396   34.642   79.635   32.519 22.76077 47.51392 
1 1 1   -3    4   43 o   46.912   22.071  -5.8693   6.8864  -0.0324   8.9625 -14.2820   10.760   63.204   27.912   52.392   25.415 10.81230 37.74887 
1 1 1   -3    4   44 o  132.987   25.918   26.747   8.6072   22.115   12.466   30.967   11.898  112.724   36.973  136.637   33.803 -23.91217 50.09684 
1 1 1   -3    4   45 o   53.202   24.699  -4.1965   8.1637 -27.9338   12.034   16.039   11.111   46.500   23.305   97.002   34.794 -50.50176 41.87770 
1 1 1   -3    4   46 o   41.408   21.013 -36.2592   11.680 -30.3500   15.835 -43.3100   17.297   54.265   27.127   52.158   26.367 2.107128 37.82986 
1 1 1   -3    4   47 o   67.609   28.271   4.9700   8.2852  -3.7318   10.670   18.183   13.148   59.833   27.930   96.949   37.247 -37.11637 46.55577 
1 1 1   -3    4   48 o   75.915   29.397   9.0690   8.2388   1.1159   12.223   15.690   11.153   67.853   31.034   91.137   34.472 -23.28390 46.38358 
1 1 1   -3    4   49 o   88.528   31.595   14.692   9.1511   9.5081   12.633   20.415   13.274   77.976   33.812   96.538   37.333 -18.56205 50.36871 
1 1 1   -3    4   50 o   54.794   25.603  -2.2237   9.0022 -11.5848   12.727   7.1493   12.735   54.671   26.765   72.487   32.558 -17.81542 42.14671 
1 1 1   -3    5    1 o  1325.45   13.901  2278.21   47.726  2301.81   68.147  2255.49   66.862  1331.44   19.760  1318.01   19.584 13.43579 27.82062 
1 1 1   -3    5    2 o  453.880   8.3640  266.932   9.8334  262.619   13.842  271.328   13.972  450.093   11.873  457.498   11.790 -7.405334 16.73215 
1 1 1   -3    5    3 o  660.794   9.3276  565.852   15.966  557.400   32.003  568.653   18.422  655.258   18.855  662.365   10.737 -7.107300 21.69792 
1 1 1   -3    5    4 o  1076.01   13.925  1501.46   38.812  1450.00   65.547  1529.25   48.163  1056.06   23.961  1085.55   17.128 -29.49414 29.45373 
1 1 1   -3    5    5 o  1090.43   12.156  1541.53   34.336  1553.91   48.902  1529.49   48.221  1094.24   17.253  1085.62   17.148 8.615845 24.32532 
1 1 1   -3    5    6 o  858.875   14.816  956.857   32.963  951.300   46.441  962.500   46.794  855.722   20.951  860.740   20.988 -5.018005 29.65574 
1 1 1   -3    5    7 o  361.424   11.971  169.358   11.207  169.358   11.207   0.0000   0.0000  361.424   11.971  ?   ?  0.000000 11.97094 
1 1 1   -3    5    8 o  164.567   12.029   35.302   5.0920   36.650   9.6295   34.778   5.9994  166.333   22.962  163.112   14.345 3.220764 27.07485 
1 1 1   -3    5    9 o  346.458   8.5293  155.554   7.6545  146.295   10.767  165.016   10.884  335.877   12.375  356.743   11.778 -20.86517 17.08457 
1 1 1   -3    5   10 o  393.089   8.5516  200.258   8.7074  191.840   12.105  209.283   12.534  384.608   12.151  401.717   12.046 -17.10889 17.10956 
1 1 1   -3    5   11 o  413.180   8.6578  221.276   9.2661  228.238   13.310  214.729   12.907  419.467   12.250  406.864   12.247 12.60300 17.32224 
1 1 1   -3    5   12 o  525.333   8.9627  357.784   12.196  345.882   16.953  370.554   17.560  516.265   12.677  534.360   12.686 -18.09491 17.93436 
1 1 1   -3    5   13 o  223.573   9.2997   64.828   5.3857   65.922   7.7961   63.829   7.4488  224.883   13.445  221.312   13.051 3.570831 18.73785 
1 1 1   -3    5   14 o  120.460   13.138   19.088   4.0330   22.670   5.4856   14.873   5.9498  130.881   16.550  104.594   22.619 26.28733 28.02750 
1 1 1   -3    5   15 o  202.316   10.894   53.341   5.6878   58.883   8.0307   47.763   8.0569  212.083   14.709  190.620   16.479 21.46274 22.08914 
1 1 1   -3    5   16 o  368.031   12.942  176.258   12.338   0.0000   0.0000  176.258   12.338  ?   ?   368.031   12.942 0.000000 12.94222 
1 1 1   -3    5   17 o  172.123   12.609   38.715   5.5824   31.016   7.5503   48.000   8.2911  152.876   19.512  191.150   16.920 -38.27444 25.82605 
1 1 1   -3    5   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    5   19 o  375.458   9.7203  182.792   9.4535  170.217   13.177  196.126   13.570  362.081   14.050  388.700   13.477 -26.61905 19.46895 
1 1 1   -3    5   20 o  830.783   10.910  895.007   23.479  945.435   34.557  851.769   31.999  853.317   15.634  809.994   15.251 43.32294 21.84103 
1 1 1   -3    5   21 o  565.564   9.9664  414.661   14.601  416.205   20.993  413.214   20.321  566.333   14.310  564.325   13.901 2.008118 19.95066 
1 1 1   -3    5   22 o  483.991   14.732  304.007   18.469   0.0000   0.0000  304.007   18.469  ?   ?   483.991   14.732 0.000000 14.73182 
1 1 1   -3    5   23 o  275.986   12.960   98.815   9.2650   88.321   13.236  108.899   12.974  259.882   19.811  289.010   17.411 -29.12857 26.37468 
1 1 1   -3    5   24 o  195.216   14.752   49.757   7.4047   39.158   10.444   60.470   10.500  171.673   24.154  214.807   19.069 -43.13481 30.77409 
1 1 1   -3    5   25 o  161.193   17.720   34.187   7.2767   30.998   10.500   37.134   10.094  151.664   27.750  167.054   24.017 -15.39035 36.69974 
1 1 1   -3    5   26 f  446.392   14.964  258.899   17.303   0.0000   0.0000  258.899   17.303  ?   ?   446.392   14.964 0.000000 14.96425 
1 1 1   -3    5   27 o  388.916   10.272  196.234   10.348  202.395   14.859  190.432   14.419  394.636   14.536  382.796   14.542 11.84088 20.56134 
1 1 1   -3    5   28 o  332.616   29.475  146.700   25.132  146.700   25.132   0.0000   0.0000  332.616   29.475  ?   ?  0.000000 29.47529 
1 1 1   -3    5   29 o  197.668   16.144   51.228   8.1938   48.400   11.518   54.125   11.658  190.701   23.839  202.067   22.665 -11.36588 32.89333 
1 1 1   -3    5   30 o  130.108   22.914   22.858   7.4404   24.042   10.769   21.776   10.291  131.929   31.871  125.618   31.644 6.310829 44.91227 
1 1 1   -3    5   31 o  270.772   13.153   95.488   9.2251   76.894   13.048  114.071   13.044  241.049   21.110  294.892   17.151 -53.84286 27.19930 
1 1 1   -3    5   32 o  396.716   11.007  204.834   11.311  214.467   16.327  195.943   15.685  404.952   15.565  387.049   15.645 17.90253 22.06870 
1 1 1   -3    5   33 o  225.167   13.313   66.465   7.7301   65.376   11.014   67.522   10.851  221.826   19.363  225.642   18.735 -3.815903 26.94344 
1 1 1   -3    5   34 o  134.517   20.720   24.539   6.9879   34.070   9.3978   12.753   10.451  158.038   23.687   98.849   33.875 59.18903 41.33493 
1 1 1   -3    5   35 o  313.011   11.792  128.082   9.5608  127.670   13.335  128.518   13.715  310.667   16.631  311.531   17.061 -0.8633728 23.82571 
1 1 1   -3    5   36 o   90.067   25.582   11.344   6.2479   14.670   7.9389   5.9309   10.127  101.710   28.818   81.298   32.257 20.41222 43.25550 
1 1 1   -3    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    5   38 o  173.596   16.215   40.416   7.2069   41.136   9.5055   39.441   11.053  172.881   21.705  166.939   26.441 5.941605 34.20891 
1 1 1   -3    5   39 o   89.659   25.913   11.570   6.3575   18.228   9.4979   6.1663   8.5572  110.301   31.614   76.424   29.857 33.87732 43.48427 
1 1 1   -3    5   40 o   69.471   26.866   5.2041   6.8741   4.5634   9.5585   5.8904   9.8929   74.692   30.718   78.164   31.584 -3.472122 44.05897 
1 1 1   -3    5   41 o   68.351   26.296   5.2246   6.5589  -3.7617   9.1555   14.699   9.4007   58.945   26.920   98.428   32.099 -39.48244 41.89305 
1 1 1   -3    5   42 o  103.794   27.367   16.302   7.4626   16.801   10.106   15.703   11.067  103.312   33.246  100.362   34.834 2.950302 48.15354 
1 1 1   -3    5   43 o  100.300   29.533   15.717   8.1894   20.762   11.619   10.735   11.545  111.588   35.621   88.305   34.630 23.28313 49.67994 
1 1 1   -3    5   44 o   77.364   29.325   8.1977   8.0817   8.3335   11.845   8.0794   11.054   82.733   34.131   81.194   33.172 1.538734 47.59494 
1 1 1   -3    5   45 o  145.139   32.358   35.183   11.855   40.560   16.210   29.000   17.382  144.826   41.231  118.268   43.360 26.55750 59.83378 
1 1 1   -3    5   46 o   84.490   34.468   10.988   11.913   18.140   20.273   7.2150   14.724   97.689   42.592   81.275   35.840 16.41430 55.66506 
1 1 1   -3    5   47 o   51.423   24.077  -4.3478   8.0295 -16.2092   11.864   5.6759   10.907   51.827   25.468   72.947   31.524 -21.12002 40.52626 
1 1 1   -3    5   48 o  112.204   31.840   22.942   9.6832   25.073   13.734   20.835   13.654  107.642   38.676   99.111   37.986 8.531097 54.21018 
1 1 1   -3    5   49 o   59.507   26.457   1.7890   8.1862 -25.4037   12.747   20.873   10.679   47.516   23.838  101.460   34.246 -53.94381 41.72559 
1 1 1   -3    5   50 o   59.294   27.083   0.9682   9.2700  -5.8372   12.943   8.1362   13.283   59.091   28.470   73.614   33.140 -14.52211 43.69009 
1 1 1   -3    6    1 o  598.430   9.0164  464.074   13.977  468.184   19.871  460.050   19.662  600.908   12.766  595.666   12.743 5.241699 18.03790 
1 1 1   -3    6    2 o  777.416   10.050  783.297   20.237  793.434   28.866  773.498   28.380  782.157   14.248  772.273   14.187 9.884399 20.10639 
1 1 1   -3    6    3 o  489.029   8.6665  309.895   10.978  310.898   15.580  308.905   15.471  489.692   12.283  488.122   12.236 1.569946 17.33755 
1 1 1   -3    6    4 o  1100.75   14.151  1571.48   40.348   0.0000   0.0000  1571.48   40.348  ?   ?   1100.75   14.151 0.000000 14.15089 
1 1 1   -3    6    5 o  599.603   17.838  466.700   27.705   0.0000   0.0000  466.700   27.705  ?   ?   599.603   17.838 0.000000 17.83800 
1 1 1   -3    6    6 o  591.164   10.615  452.999   16.255  416.331   18.893  557.500   31.895  566.621   12.873  655.233   18.792 -88.61157 22.77811 
1 1 1   -3    6    7 o  179.874   15.682   42.302   7.2336   45.130   10.209   39.450   10.251  185.077   21.707  172.582   23.545 12.49509 32.02453 
1 1 1   -3    6    8 f  691.631   9.6580  620.018   17.303  618.171   24.488  621.860   24.451  690.331   13.694  692.393   13.633 -2.061340 19.32363 
1 1 1   -3    6    9 o  308.199   8.7289  123.106   6.9686  121.387   9.8273  124.846   9.8830  305.933   12.401  310.264   12.297 -4.331390 17.46445 
1 1 1   -3    6   10 o  696.629   9.7584  629.126   17.609  629.526   24.953  628.729   24.852  696.515   13.831  696.079   13.784 0.4364014 19.52629 
1 1 1   -3    6   11 o  337.150   8.7202  147.352   7.6155  140.213   10.768  154.495   10.772  328.719   12.646  345.084   12.051 -16.36526 17.46847 
1 1 1   -3    6   12 o  426.704   12.517  236.355   13.835   0.0000   0.0000  236.355   13.835  ?   ?   426.704   12.517 0.000000 12.51736 
1 1 1   -3    6   13 o  680.962   9.8122  601.713   17.308  603.821   24.609  599.650   24.346  681.497   13.941  679.158   13.839 2.338684 19.64353 
1 1 1   -3    6   14 o  535.201   9.2357  371.813   12.804  388.893   18.360  355.642   17.865  546.763   12.963  522.826   13.191 23.93707 18.49485 
1 1 1   -3    6   15 f  265.619   9.4521   91.617   6.5033   92.369   9.3908   90.924   9.0149  265.982   13.676  264.288   13.168 1.693390 18.98561 
1 1 1   -3    6   16 o  100.089   18.167   13.486   4.5365   12.240   6.6617   14.563   6.1950   94.891   26.228  103.257   23.668 -8.366058 35.32775 
1 1 1   -3    6   17 o  270.986   11.633   95.367   8.1655  105.500   13.514   89.541   10.248  283.841   18.482  261.896   15.171 21.94562 23.91083 
1 1 1   -3    6   18 o   74.563   26.343   6.3464   6.3462  -0.8895   12.648   8.7809   7.3365   79.148   34.076   84.506   28.386 -5.358162 44.34990 
1 1 1   -3    6   19 o  878.865   11.150  1001.81   25.383  992.334   35.689  1011.52   36.109  874.072   15.763  882.476   15.797 -8.403320 22.31604 
1 1 1   -3    6   20 o  621.720   10.038  501.126   16.166  506.702   23.153  495.823   22.581  624.845   14.305  618.119   14.103 6.726685 20.08830 
1 1 1   -3    6   21 o  525.066   10.049  357.409   13.667  367.250   19.190  347.281   19.469  532.010   13.925  517.302   14.529 14.70801 20.12524 
1 1 1   -3    6   22 o  457.698   11.177  271.646   13.252  284.406   19.283  260.227   18.242  468.035   15.905  447.710   15.729 20.32471 22.36944 
1 1 1   -3    6   23 o  701.273   10.582  637.682   19.222  656.823   27.787  620.118   26.618  711.290   15.082  691.153   14.868 20.13708 21.17783 
1 1 1   -3    6   24 o  431.482   14.746  241.740   16.481   0.0000   0.0000  241.740   16.481  ?   ?   431.482   14.746 0.000000 14.74601 
1 1 1   -3    6   25 o  127.711   21.554   21.828   6.8766   17.527   9.3240   26.958   10.183  113.753   30.860  140.993   28.853 -27.24018 42.24740 
1 1 1   -3    6   26 o  115.798   23.628   18.139   6.8473   17.401   10.813   18.633   8.8471  114.176   34.016  116.939   29.275 -2.763062 44.87839 
1 1 1   -3    6   27 o  451.667   14.915  265.220   17.450  285.600   24.241  243.300   25.140  467.994   19.997  430.969   22.599 37.02518 30.17564 
1 1 1   -3    6   28 f  211.272   21.926   58.967   11.825   50.940   17.095   66.330   16.373  193.097   35.486  222.667   29.082 -29.56990 45.88019 
1 1 1   -3    6   29 o  265.826   12.536   91.854   8.6321   95.630   12.016   87.828   12.408  270.257   17.255  258.712   18.641 11.54532 25.40118 
1 1 1   -3    6   30 o   70.679   25.998   5.2872   6.2563   7.5684   8.2192   2.1448   9.6468   82.459   29.879   74.069   30.699 8.389717 42.83930 
1 1 1   -3    6   31 o  228.620   13.665   68.370   8.0555   79.136   11.192   56.797   11.604  245.236   17.738  206.574   22.025 38.66156 28.27964 
1 1 1   -3    6   32 o  147.428   19.858   29.115   7.3904   8.5237   10.355   50.495   10.551   89.124   33.319  194.471   21.294 -105.3475 39.54239 
1 1 1   -3    6   33 o  110.485   25.259   16.951   7.0713   14.372   9.9315   19.602   10.071  102.954   32.941  117.891   32.109 -14.93709 46.00098 
1 1 1   -3    6   34 o  299.741   11.876  117.373   9.2208  121.705   13.283  113.344   12.810  303.418   16.969  292.781   16.964 10.63644 23.99413 
1 1 1   -3    6   35 o   80.197   27.928   8.0783   7.1169   10.688   9.6891   5.0203   10.488   91.889   32.541   80.625   32.541 11.26416 46.01965 
1 1 1   -3    6   36 o  153.407   18.475   31.723   7.1937   41.167   11.004   24.676   9.5064  172.323   25.415  131.503   28.713 40.82056 38.34532 
1 1 1   -3    6   37 o  169.800   30.320   41.437   12.847   60.750   21.656   30.950   15.958  197.155   43.565  141.410   41.108 55.74478 59.89807 
1 1 1   -3    6   38 o  100.960   25.104   14.623   6.5372   32.257   10.215   2.3901   8.5077  150.025   27.291   68.361   28.622 81.66383 39.54747 
1 1 1   -3    6   39 f   51.785   23.421  -2.7412   6.7233   3.1223   9.4690  -8.7028   9.5479   72.053   30.184   54.778   25.837 17.27471 39.73207 
1 1 1   -3    6   40 o  177.063   15.860   42.371   7.1971   43.154   10.097   41.562   10.262  174.962   22.822  171.070   23.802 3.892014 32.97599 
1 1 1   -3    6   41 o   96.045   26.225   13.717   6.7077   12.955   8.7362   14.812   10.470   93.144   30.971   98.659   33.901 -5.514717 45.91843 
1 1 1   -3    6   42 o  191.417   16.525   50.063   8.1132   49.392   11.139   50.821   11.841  185.178   23.770  186.824   25.104 -1.645996 34.57243 
1 1 1   -3    6   43 o  113.992   27.885   20.071   8.1658   7.5906   11.680   32.002   11.420   82.124   33.888  141.532   31.913 -59.40771 46.54907 
1 1 1   -3    6   44 o  196.138   18.525   54.068   9.3004   52.824   13.270   55.269   13.038  184.397   28.718  190.185   27.244 -5.788071 39.58520 
1 1 1   -3    6   45 o   59.822   28.143  -6.0355   11.194  -9.4820   15.664  -2.4390   16.002   66.967   32.015   73.648   34.320 -6.680962 46.93406 
1 1 1   -3    6   46 f   56.307   26.012  -2.9565   8.8939  -1.1691   12.212  -4.9751   12.978   66.675   30.687   64.253   30.250 2.422386 43.09069 
1 1 1   -3    6   47 o   58.167   26.158   0.0214   8.2486  -2.2872   12.051   2.0560   11.314   64.142   29.855   67.958   30.591 -3.815575 42.74446 
1 1 1   -3    6   48 o  120.684   29.713   25.445   9.2265   39.191   12.752   10.343   13.366  144.299   34.570   80.690   34.884 63.60938 49.11176 
1 1 1   -3    6   49 o   44.191   21.520  -9.5633   7.9193 -10.0538   10.329  -8.8637   12.336   50.882   24.732   56.563   27.384 -5.681641 36.89978 
1 1 1   -3    7    1 o  451.216   9.7999  263.869   11.454  258.000   19.470  266.975   14.164  445.870   16.858  453.784   12.050 -7.914276 20.72191 
1 1 1   -3    7    2 o  199.935   12.407   52.029   6.3936   50.960   9.1469   53.050   8.9405  197.303   18.099  201.431   17.303 -4.128113 25.03952 
1 1 1   -3    7    3 o  595.125   12.823  459.261   19.768  465.800   28.151  452.900   27.765  598.986   18.144  590.633   18.148 8.352844 25.66223 
1 1 1   -3    7    4 o  271.025   17.253   95.730   12.049   0.0000   0.0000   95.730   12.049  ?   ?   271.025   17.253 0.000000 17.25310 
1 1 1   -3    7    5 o  517.232   10.439  346.781   13.985  345.400   24.281  347.467   17.108  515.762   18.175  517.636   12.759 -1.873962 22.20664 
1 1 1   -3    7    6 o  215.547   14.223   60.533   7.8965   58.780   11.573   62.060   10.802  211.577   21.411  217.720   19.355 -6.143265 28.86282 
1 1 1   -3    7    7 o  409.955   8.6436  217.805   9.1787  228.363   13.313  208.240   12.672  419.639   12.248  400.726   12.208 18.91299 17.29275 
1 1 1   -3    7    8 o  570.009   9.1210  421.130   13.467  418.692   18.975  423.605   19.117  568.140   12.894  571.462   12.914 -3.322449 18.24897 
1 1 1   -3    7    9 o  143.055   11.168   26.699   4.1057   28.670   5.5927   24.395   6.0464  147.886   14.798  135.910   17.587 11.97609 22.98504 
1 1 1   -3    7   10 o  554.954   9.1951  399.265   13.218  394.268   18.702  404.253   18.684  551.191   13.099  558.141   12.923 -6.950562 18.40089 
1 1 1   -3    7   11 o  535.875   9.0726  372.352   12.594  368.877   17.718  375.901   17.903  533.058   12.832  538.108   12.845 -5.049622 18.15587 
1 1 1   -3    7   12 o  260.109   13.468   88.151   9.0433   0.0000   0.0000   88.151   9.0433  ?   ?   260.109   13.468 0.000000 13.46822 
1 1 1   -3    7   13 o  439.907   9.0390  251.137   10.300  251.981   14.748  250.333   14.392  440.185   12.934  438.780   12.662 1.405273 18.10028 
1 1 1   -3    7   14 o  280.220   13.087  102.208   9.4989   0.0000   0.0000  102.208   9.4989  ?   ?   280.220   13.087 0.000000 13.08657 
1 1 1   -3    7   15 o  357.802   9.2230  166.215   8.5480  160.980   11.896  171.805   12.291  351.690   13.058  363.321   13.060 -11.63147 18.46873 
1 1 1   -3    7   16 o  846.258   10.932  930.135   23.963  906.682   33.481  954.766   34.311  834.342   15.492  856.186   15.471 -21.84454 21.89385 
1 1 1   -3    7   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    7   18 o  255.048   10.922   84.381   7.2155   75.495   10.106   93.620   10.305  240.464   16.322  268.056   14.900 -27.59175 22.10030 
1 1 1   -3    7   19 o  478.346   13.278  296.911   16.452   0.0000   0.0000  296.911   16.452  ?   ?   478.346   13.278 0.000000 13.27775 
1 1 1   -3    7   20 o  1107.48   12.757  1591.05   36.597  1579.32   51.523  1602.98   51.992  1102.51   18.041  1110.73   18.071 -8.221069 25.53500 
1 1 1   -3    7   21 o  657.387   10.584  560.313   18.023  569.544   25.369  550.906   25.610  662.440   14.785  651.474   15.176 10.96600 21.18744 
1 1 1   -3    7   22 o  1250.93   13.988  2030.67   45.324  2056.41   64.843  2006.08   63.377  1257.57   19.906  1242.13   19.698 15.43445 28.00429 
1 1 1   -3    7   23 o  223.294   13.999   64.970   8.0561   67.036   11.115   62.684   11.693  226.247   19.146  218.483   20.916 7.764725 28.35605 
1 1 1   -3    7   24 f  308.992   11.525  123.859   9.2243  123.915   12.900  123.801   13.195  308.393   16.206  308.206   16.589 0.1868896 23.19082 
1 1 1   -3    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    7   26 o  597.854   10.302  463.702   15.954  475.922   22.818  452.015   22.316  605.175   14.556  589.772   14.607 15.40259 20.62166 
1 1 1   -3    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    7   28 o  544.679   10.931  385.206   15.422  391.242   22.079  379.456   21.551  548.226   15.548  539.929   15.409 8.296692 21.89045 
1 1 1   -3    7   29 o  153.626   18.372   31.252   7.1657   30.016   10.264   32.427   10.009  148.551   27.692  154.968   25.844 -6.417374 37.87852 
1 1 1   -3    7   30 o  305.326   17.414  122.231   13.716   0.0000   0.0000  122.231   13.716  ?   ?   305.326   17.414 0.000000 17.41416 
1 1 1   -3    7   31 o  170.287   17.274   38.352   7.5139   40.239   10.459   36.339   10.801  172.868   24.006  163.472   26.409 9.396057 35.68930 
1 1 1   -3    7   32 o   68.128   25.711   4.6395   6.1950   7.3199   9.7072   2.7977   8.0466   84.688   32.130   69.512   28.339 15.17603 42.84211 
1 1 1   -3    7   33 f  141.255   20.566   26.959   7.3040   23.143   9.9408   31.435   10.768  128.013   30.427  150.169   28.728 -22.15569 41.84580 
1 1 1   -3    7   34 f  463.415   10.558  280.145   12.674  278.883   18.382  281.289   17.497  460.510   15.410  462.853   14.594 -2.343414 21.22388 
1 1 1   -3    7   35 o  208.501   15.962   57.673   8.5552   60.876   12.364   54.732   11.850  211.663   22.918  200.446   23.254 11.21692 32.64935 
1 1 1   -3    7   36 o  119.371   32.135   20.758   10.157   25.770   13.151   13.350   15.988  131.414   37.041  106.001   40.978 25.41379 55.23825 
1 1 1   -3    7   37 o  206.921   23.865   59.173   12.557   43.620   21.998   66.690   15.293  162.383   48.548  217.500   27.779 -55.11668 55.93380 
1 1 1   -3    7   38 o  223.624   15.342   66.801   8.8332   78.394   13.115   57.175   11.950  239.017   21.410  202.896   23.153 36.12093 31.53459 
1 1 1   -3    7   39 o   92.527   27.104   12.492   6.9135   20.325   10.829   7.1032   8.9820  114.901   33.997   79.167   30.684 35.73339 45.79623 
1 1 1   -3    7   40 o  115.210   26.473   19.615   7.7343   32.976   11.261   7.6826   10.641  147.713   30.443   82.871   33.008 64.84161 44.90343 
1 1 1   -3    7   41 o   96.984   28.016   14.198   7.4329   24.039   11.250   6.5744   9.9022  122.507   34.164   78.550   31.649 43.95750 46.57064 
1 1 1   -3    7   42 o  126.424   25.010   23.651   7.9002   42.620   12.228   10.062   10.350  167.263   29.291   85.959   33.042 81.30402 44.15559 
1 1 1   -3    7   43 o   89.627   29.386   12.429   7.8753   12.902   11.820   12.050   10.561   92.203   35.341   89.532   33.615 2.670334 48.77420 
1 1 1   -3    7   44 o   64.019   27.009   3.0546   7.6698   7.4924   11.689  -0.3004   10.164   80.194   33.561   64.765   29.088 15.42896 44.41179 
1 1 1   -3    7   45 o   61.973   30.575 -22.8800   17.677   0.0000   0.0000 -22.8800   17.677  ?   ?    61.973   30.575 0.000000 30.57509 
1 1 1   -3    7   46 o   60.399   26.063   2.2841   7.4335  -1.8017   9.9427   7.4622   11.193   60.449   27.773   76.714   32.511 -16.26498 42.75887 
1 1 1   -3    7   47 o   54.645   25.227  -2.4074   8.3426  -4.6534   10.932   0.7248   12.910   58.829   27.717   68.730   31.603 -9.900604 42.03524 
1 1 1   -3    7   48 o   66.412   27.538   5.5753   7.7680  -8.4118   12.372   14.678   9.9805   57.760   27.830   88.116   32.757 -30.35566 42.98290 
1 1 1   -3    7   49 o   63.901   28.195   3.7474   9.1256   1.1996   12.780   6.3977   13.035   66.167   30.780   72.423   32.696 -6.256050 44.90425 
1 1 1   -3    8    1 o  341.354   12.181  151.088   10.771   0.0000   0.0000  151.088   10.771  ?   ?   341.354   12.181 0.000000 12.18127 
1 1 1   -3    8    2 o  1090.92   12.260  1543.20   34.645  1579.49   49.966  1509.59   48.080  1103.01   17.488  1078.36   17.213 24.64136 24.53809 
1 1 1   -3    8    3 o  497.718   8.9472  321.044   11.535  329.950   16.528  312.586   16.106  504.413   12.650  490.961   12.665 13.45261 17.90020 
1 1 1   -3    8    4 o  716.141   14.063  665.307   26.088  653.600   36.524  677.500   37.274  709.238   19.881  722.083   19.928 -12.84521 28.14943 
1 1 1   -3    8    5 o  511.605   10.578  339.316   14.017  339.176   17.137  339.600   24.366  511.378   12.937  511.324   18.397 0.5340576E-01 22.49030 
1 1 1   -3    8    6 o  433.487   8.8856  243.546   9.9773  232.600   20.566  246.915   11.410  423.114   18.765  436.430   10.093 -13.31638 21.30687 
1 1 1   -3    8    7 o  920.861   11.165  1099.59   26.633  1107.00   53.832  1097.19   30.646  922.253   22.534  919.673   12.864 2.579895 25.94747 
1 1 1   -3    8    8 o  391.882   8.6562  199.056   8.7868  198.864   12.588  199.238   12.271  391.529   12.412  391.913   12.088 -0.3839111 17.32533 
1 1 1   -3    8    9 o  582.742   9.3062  440.279   14.048  438.309   19.867  442.249   19.865  581.129   13.198  583.741   13.138 -2.611755 18.62244 
1 1 1   -3    8   10 o  538.479   9.0854  375.989   12.673  379.759   17.989  372.274   17.855  540.852   12.840  535.493   12.873 5.359802 18.18167 
1 1 1   -3    8   11 o  208.945   15.180   57.077   8.1598   57.077   8.1598   0.0000   0.0000  208.945   15.180  ?   ?  0.000000 15.18002 
1 1 1   -3    8   12 o  249.231   10.044   80.644   6.4840   71.855   9.2262   89.222   9.1145  234.397   15.279  261.552   13.499 -27.15503 20.38828 
1 1 1   -3    8   13 o  344.117   9.3079  153.753   8.2968  156.592   11.811  150.987   11.657  346.848   13.146  340.576   13.214 6.272430 18.63947 
1 1 1   -3    8   14 o  692.369   10.034  622.739   17.995  625.540   25.678  620.037   25.224  692.847   14.308  689.849   14.116 2.997986 20.09927 
1 1 1   -3    8   15 o  164.729   12.946   35.513   5.4794   37.198   7.9811   34.011   7.5362  167.702   18.691  160.305   18.488 7.396484 26.28972 
1 1 1   -3    8   16 o  316.108   12.687  129.830   10.389  127.400   14.235  132.600   15.196  312.178   17.676  318.363   18.507 -6.185944 25.59154 
1 1 1   -3    8   17 o  396.746   11.747  204.286   12.073  152.000   21.245  229.225   14.672  340.247   24.264  420.129   13.482 -79.88144 27.75785 
1 1 1   -3    8   18 o  434.127   9.5741  244.355   10.766  236.014   15.178  252.803   15.274  426.409   13.741  441.342   13.361 -14.93301 19.16604 
1 1 1   -3    8   19 o  529.292   13.927  363.561   19.094   0.0000   0.0000  363.561   19.094  ?   ?   529.292   13.927 0.000000 13.92695 
1 1 1   -3    8   20 o  741.991   10.761  713.858   20.683  713.312   29.647  714.375   28.868  741.261   15.440  741.859   15.022 -0.5979004 21.54246 
1 1 1   -3    8   21 o  383.828   11.213  191.045   11.148  197.715   17.003  186.015   14.765  390.167   16.824  378.552   15.057 11.61444 22.57817 
1 1 1   -3    8   22 o  974.248   12.103  1231.22   30.543  1244.40   43.630  1218.57   42.773  978.666   17.211  968.484   17.050 10.18182 24.22612 
1 1 1   -3    8   23 o  950.795   16.711  1174.70   41.156   0.0000   0.0000  1174.70   41.156  ?   ?   950.795   16.711 0.000000 16.71085 
1 1 1   -3    8   24 f  295.600   17.875  114.059   13.623  114.059   13.623   0.0000   0.0000  295.600   17.875  ?   ?  0.000000 17.87515 
1 1 1   -3    8   25 f  491.609   15.087  314.074   19.212   0.0000   0.0000  314.074   19.212  ?   ?   491.609   15.087 0.000000 15.08697 
1 1 1   -3    8   26 o  131.511   24.534   23.341   8.0502   18.309   11.462   28.240   11.309  116.994   35.058  143.781   31.257 -26.78674 46.96898 
1 1 1   -3    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    8   28 o  159.921   20.075   33.936   8.1328   46.853   11.473   20.890   11.530  187.468   24.191  123.544   34.635 63.92326 42.24649 
1 1 1   -3    8   29 o  326.402   11.912  138.514   10.071  125.912   14.453  150.410   14.042  309.912   18.083  339.612   15.962 -29.69992 24.12005 
1 1 1   -3    8   30 o   49.263   22.797  -5.5809   6.8733  -7.7847   9.5536  -3.2161   9.8961   57.838   26.804   65.495   29.106 -7.656906 39.56788 
1 1 1   -3    8   31 o   38.712   18.772  -9.7228   5.8549 -12.0608   8.1025  -7.1681   8.4697   46.782   22.536   54.036   25.110 -7.254253 33.73974 
1 1 1   -3    8   32 o  145.941   19.081   28.536   7.0406   19.889   9.6874   38.217   10.250  118.898   31.099  167.738   24.299 -48.83987 39.46646 
1 1 1   -3    8   33 o  373.302   11.231  181.843   10.860  195.336   15.303  168.152   15.414  385.668   15.319  357.379   16.651 28.28830 22.62571 
1 1 1   -3    8   34 o  201.906   16.315   54.088   8.4598   53.136   12.050   55.014   11.880  197.401   24.063  201.242   23.216 -3.840637 33.43713 
1 1 1   -3    8   35 f  121.630   22.625   20.488   6.8657   11.072   11.224   26.118   8.6788   94.842   34.832  136.702   25.446 -41.85973 43.13657 
1 1 1   -3    8   36 o   84.246   37.481  -1.8830   16.455   0.0000   0.0000  -1.8830   16.455  ?   ?    84.246   37.481 0.000000 37.48138 
1 1 1   -3    8   37 o  115.970   25.697   19.242   7.5162   11.933   10.727   26.292   10.535   94.732   34.164  133.639   31.029 -38.90746 46.15158 
1 1 1   -3    8   38 o  206.285   15.487   57.008   8.2150   59.885   12.230   54.642   11.089  207.344   23.167  198.698   21.910 8.645264 31.88634 
1 1 1   -3    8   39 o  148.928   20.229   30.812   7.6016   25.022   10.375   37.522   11.170  128.156   31.481  160.080   27.954 -31.92378 42.10074 
1 1 1   -3    8   40 o  126.073   22.422   22.712   7.0538   19.230   9.8480   26.381   10.108  111.134   32.290  131.471   30.304 -20.33691 44.28257 
1 1 1   -3    8   41 o   80.461   28.086   9.1434   7.1997   7.0455   10.026   11.377   10.346   79.476   31.907   89.504   33.336 -10.02776 46.14476 
1 1 1   -3    8   42 o   41.108   20.005 -10.5185   6.8090 -10.9884   10.785 -10.2071   8.7801   55.271   26.461   49.249   23.657 6.022209 35.49423 
1 1 1   -3    8   43 o   73.103   28.130   6.8640   7.5073   16.676   11.585  -0.2395   9.8570   99.946   35.562   64.613   28.858 35.33260 45.79805 
1 1 1   -3    8   44 o  104.853   29.016   17.855   8.1479   4.0937   12.239   28.809   10.919   75.152   32.921  130.892   32.383 -55.74023 46.17840 
1 1 1   -3    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    8   46 o   75.163   30.005   8.2432   8.8109  -0.9389   12.467   17.406   12.454   66.698   30.808   95.301   36.336 -28.60337 47.63861 
1 1 1   -3    8   47 o  100.398   31.105   18.268   8.9237   11.578   13.161   23.961   12.141   82.974   35.214  108.429   36.514 -25.45531 50.72795 
1 1 1   -3    8   48 o  106.296   31.705   21.297   9.3901   29.623   13.527   13.554   13.045  115.210   38.545   84.092   35.338 31.11824 52.29204 
1 1 1   -3    8   49 o  114.127   30.428   24.478   9.1595   29.677   13.312   19.803   12.622  111.982   38.233   92.641   36.243 19.34106 52.68148 
1 1 1   -3    9    1 o  427.930   12.647  237.505   14.019  238.600   19.782  236.400   19.870  428.622   17.817  426.630   17.980 1.991425 25.31305 
1 1 1   -3    9    2 o  658.951   13.635  563.300   23.274  595.900   34.045  534.700   31.888  677.181   19.409  641.489   19.191 35.69183 27.29461 
1 1 1   -3    9    3 o  615.367   10.956  490.977   17.464  493.825   21.402  485.300   30.212  616.985   13.392  611.125   19.085 5.859131 23.31472 
1 1 1   -3    9    4 o  745.889   10.119  721.248   19.551  737.779   28.112  705.763   27.209  754.019   14.393  737.492   14.243 16.52698 20.24930 
1 1 1   -3    9    5 o  514.343   9.1758  342.915   12.225  352.768   17.553  333.634   17.036  521.463   12.995  507.125   12.969 14.33728 18.35928 
1 1 1   -3    9    6 o  546.039   9.3313  386.514   13.198  397.979   19.027  375.881   18.323  553.821   13.263  538.234   13.143 15.58667 18.67200 
1 1 1   -3    9    7 o  265.015   9.5005   91.057   6.5218   73.660   13.610   96.242   7.4305  236.747   22.462  272.424   10.530 -35.67694 24.80787 
1 1 1   -3    9    8 f  358.245   9.0011  166.394   8.3526  144.100   17.015  173.472   9.5873  332.122   19.870  365.734   10.120 -33.61224 22.29843 
1 1 1   -3    9    9 o  428.451   10.438  238.149   11.584  229.800   20.252  242.209   14.123  420.109   18.611  431.921   12.623 -11.81107 22.48787 
1 1 1   -3    9   10 f   52.871   20.033   2.5938   3.7707   2.7025   5.3320   2.4851   5.3331   59.803   23.508   59.169   23.430 0.6338387 33.19061 
1 1 1   -3    9   11 o  592.878   9.4204  456.246   14.467  450.877   20.492  461.581   20.428  588.715   13.438  595.701   13.239 -6.985901 18.86360 
1 1 1   -3    9   12 o  471.640   9.2978  288.830   11.359  272.415   15.847  306.175   16.290  457.423   13.375  485.015   12.966 -27.59235 18.62822 
1 1 1   -3    9   13 o  340.515   9.4448  150.585   8.3307  137.158   11.693  164.428   11.872  324.462   13.912  355.403   12.896 -30.94125 18.97003 
1 1 1   -3    9   14 o  207.169   10.593   55.903   5.6655   51.528   7.8012   60.786   8.2413  198.242   15.311  215.483   14.856 -17.24138 21.33323 
1 1 1   -3    9   15 o  554.572   10.857  399.329   15.596  418.000   27.265  390.248   19.014  566.012   18.596  547.870   13.398 18.14258 22.92017 
1 1 1   -3    9   16 o  273.636   24.256   98.660   17.015   98.660   17.015   0.0000   0.0000  273.636   24.256  ?   ?  0.000000 24.25648 
1 1 1   -3    9   17 o  347.694   10.044  156.773   9.0459  164.916   12.942  148.995   12.648  356.394   14.020  338.730   14.416 17.66370 20.10866 
1 1 1   -3    9   18 o  551.473   9.8545  394.301   14.077  410.432   20.430  379.720   19.423  562.337   14.026  540.902   13.863 21.43555 19.72068 
1 1 1   -3    9   19 o  736.239   10.617  702.834   20.248  701.752   28.750  703.898   28.520  735.245   15.096  736.385   14.952 -1.139343 21.24717 
1 1 1   -3    9   20 o  444.108   10.843  255.745   12.473  254.913   17.682  256.568   17.599  443.121   15.405  444.565   15.283 -1.444550 21.69941 
1 1 1   -3    9   21 o  417.112   16.349  225.962   17.664  225.962   17.664   0.0000   0.0000  417.112   16.349  ?   ?  0.000000 16.34880 
1 1 1   -3    9   22 f  367.282   10.805  174.944   10.280  171.032   15.097  178.326   14.036  362.859   16.062  370.609   14.621 -7.749542 21.72018 
1 1 1   -3    9   23 f  591.337   10.459  453.519   16.021  466.002   23.407  442.517   21.974  598.970   15.086  583.743   14.532 15.22754 20.94730 
1 1 1   -3    9   24 o  310.834   11.874  125.386   9.5604  110.827   13.287  141.018   13.767  291.345   17.690  329.361   16.137 -38.01614 23.94415 
1 1 1   -3    9   25 o  681.685   10.864  602.995   19.184  592.165   27.052  613.951   27.208  674.877   15.475  687.211   15.285 -12.33472 21.75077 
1 1 1   -3    9   26 o  530.850   15.470  366.583   21.273  384.800   28.269  342.800   32.300  543.062   20.096  511.682   24.370 31.38046 31.58717 
1 1 1   -3    9   27 o  258.599   17.874   87.604   11.899   55.070   22.227  100.675   14.088  198.477   44.350  276.974   19.767 -78.49768 48.55583 
1 1 1   -3    9   28 o  155.864   19.207   32.218   7.5906   34.686   9.8946   28.688   11.833  160.694   24.550  144.222   32.458 16.47128 40.69725 
1 1 1   -3    9   29 o  541.409   10.892  380.981   15.275  356.642   21.414  406.194   21.795  522.811   15.812  558.138   15.075 -35.32745 21.84721 
1 1 1   -3    9   30 o  296.671   12.630  114.656   9.7054  118.505   13.674  110.747   13.778  300.279   17.658  290.060   18.433 10.21909 25.52606 
1 1 1   -3    9   31 f  263.836   13.312   91.102   9.0685  102.188   12.881   80.208   12.769  278.316   17.963  245.807   20.235 32.50999 27.05776 
1 1 1   -3    9   32 o  204.879   15.316   55.355   8.0696   48.847   11.437   61.805   11.387  189.964   23.764  215.028   20.700 -25.06381 31.51488 
1 1 1   -3    9   33 o   68.369   25.990   4.6837   6.3597   8.6283   9.4495   1.4177   8.5985   86.508   31.930   67.985   28.636 18.52311 42.88998 
1 1 1   -3    9   34 o  293.161   13.281  112.738   10.086  127.432   14.722   99.745   13.844  309.353   18.457  273.032   19.708 36.32062 27.00088 
1 1 1   -3    9   35 o  163.484   19.871   36.215   8.2418   39.322   11.898   33.350   11.428  166.801   28.565  152.709   29.959 14.09198 41.39478 
1 1 1   -3    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    9   37 o  122.985   22.587   21.245   6.9303   14.410   9.0676   30.845   10.747   99.618   31.434  145.348   29.551 -45.73001 43.14323 
1 1 1   -3    9   38 o  205.769   15.177   56.750   8.0324   41.295   10.812   75.788   12.000  170.276   25.280  235.247   19.879 -64.97118 32.15988 
1 1 1   -3    9   39 o  215.643   14.230   62.269   7.9041   74.710   11.503   51.141   10.879  233.247   19.210  190.733   22.450 42.51311 29.54690 
1 1 1   -3    9   40 o   54.650   24.181  -0.8919   6.7587   8.8602   9.0348 -13.2837   10.184   82.274   31.049   51.760   25.016 30.51433 39.87288 
1 1 1   -3    9   41 o   83.325   27.902   10.177   7.0883   11.905   11.109   8.9902   9.2061   90.958   34.404   82.174   31.263 8.783745 46.48631 
1 1 1   -3    9   42 o  111.597   27.355   19.187   7.8463   10.941   11.591   26.162   10.660   88.241   34.669  127.044   32.317 -38.80303 47.39529 
1 1 1   -3    9   43 o  197.282   16.979   54.060   8.5919   68.681   13.307   43.606   11.252  215.331   24.281  169.215   26.543 46.11563 35.97375 
1 1 1   -3    9   44 o  112.080   29.652   20.727   8.7417   30.671   12.560   11.385   12.174  130.348   36.007   86.424   34.997 43.92490 50.21233 
1 1 1   -3    9   45 o   57.266   27.152  -6.6719   10.804 -34.7000   20.475   4.1440   12.719   60.846   30.481   74.024   32.942 -13.17767 44.88012 
1 1 1   -3    9   46 o   96.176   31.295   16.578   8.9376   30.637   12.306   0.8821   13.002  126.035   35.938   69.215   31.785 56.82011 47.97747 
1 1 1   -3    9   47 o   46.309   22.217  -7.1479   7.6903  -9.4498   11.708  -5.4012   10.199   55.573   26.850   55.612   26.371 -0.3870392E-01 37.63481 
1 1 1   -3    9   48 o  125.148   27.809   27.062   8.7809   23.884   11.500   31.505   13.598  106.091   35.540  117.805   38.613 -11.71468 52.47908 
1 1 1   -3    9   49 o   79.221   28.777   11.733   7.6304   9.7081   10.752   13.788   10.830   74.109   31.650   81.553   33.015 -7.443993 45.73475 
1 1 1   -3   10    1 o  909.773   11.101  1073.33   26.161  1111.00   37.888  1039.01   36.167  925.001   15.813  894.557   15.608 30.44427 22.21867 
1 1 1   -3   10    2 o  308.814   9.1041  123.620   7.2826  121.742   10.339  125.469   10.259  306.320   13.031  310.986   12.736 -4.665802 18.22092 
1 1 1   -3   10    3 o  286.667   9.4343  106.534   7.0055  111.630   10.125  101.854   9.7032  293.303   13.327  280.165   13.371 13.13843 18.87779 
1 1 1   -3   10    4 o  504.069   9.1928  329.393   12.003  331.406   17.080  327.429   16.871  505.362   13.048  502.327   12.966 3.035431 18.39472 
1 1 1   -3   10    5 o  145.170   13.371   27.584   4.9715   21.826   7.0181   33.383   7.0434  127.659   22.019  159.325   17.347 -31.66639 28.03129 
1 1 1   -3   10    6 o  275.365   9.7037   98.328   6.9215  101.369   9.9862   95.516   9.6019  279.416   13.798  270.886   13.729 8.529602 19.46431 
1 1 1   -3   10    7 o  226.857   12.702   67.023   7.4343   64.990   12.572   68.116   9.2188  222.116   22.147  228.379   15.679 -6.262726 27.13478 
1 1 1   -3   10    8 o  255.856   10.027   84.934   6.6452   74.450   13.856   88.065   7.5729  237.612   22.792  260.472   11.224 -22.85991 25.40590 
1 1 1   -3   10    9 o  306.707   9.6321  122.077   7.6523  124.700   15.956  121.293   8.7207  308.321   20.089  305.628   11.016 2.693817 22.91054 
1 1 1   -3   10   10 o   50.998   21.048   1.0005   4.5073   11.150   12.910  -0.4083   4.8099  101.150   37.324   48.776   21.007 52.37472 42.82979 
1 1 1   -3   10   11 o  435.326   12.889  246.684   14.534  246.684   14.534   0.0000   0.0000  435.326   12.889  ?   ?  0.000000 12.88925 
1 1 1   -3   10   12 o  419.648   9.3439  228.704   10.157  220.084   14.319  237.434   14.410  411.064   13.448  427.033   13.027 -15.96951 18.72294 
1 1 1   -3   10   13 o  377.755   13.400  185.755   13.112   0.0000   0.0000  185.755   13.112  ?   ?   377.755   13.400 0.000000 13.39970 
1 1 1   -3   10   14 o  446.157   10.742  258.473   12.414  266.200   20.653  254.103   15.533  451.789   17.648  442.030   13.566 9.758545 22.25962 
1 1 1   -3   10   15 o  867.199   23.132  983.100   51.961  983.100   51.961   0.0000   0.0000  867.199   23.132  ?   ?  0.000000 23.13155 
1 1 1   -3   10   16 o  389.323   22.456  198.300   22.550  198.300   22.550   0.0000   0.0000  389.323   22.456  ?   ?  0.000000 22.45570 
1 1 1   -3   10   17 o  620.388   9.9755  499.043   16.031  487.594   22.647  510.542   22.695  612.867   14.266  627.154   13.970 -14.28607 19.96670 
1 1 1   -3   10   18 o  934.393   11.585  1132.37   28.040  1139.73   39.881  1125.17   39.433  936.763   16.435  930.770   16.356 5.992920 23.18680 
1 1 1   -3   10   19 f  975.960   12.087  1235.46   30.555  1232.99   43.207  1237.93   43.215  974.257   17.121  976.211   17.090 -1.953857 24.19104 
1 1 1   -3   10   20 o  742.967   11.003  715.826   21.176  702.288   30.113  729.070   29.783  735.415   15.808  749.362   15.344 -13.94733 22.02996 
1 1 1   -3   10   21 o  280.154   12.318  101.826   8.9387   98.686   12.535  105.073   12.750  274.990   17.692  283.815   17.427 -8.825287 24.83367 
1 1 1   -3   10   22 o  1066.38   12.601  1475.71   34.807  1484.24   49.599  1467.43   48.859  1068.38   17.922  1062.35   17.755 6.027466 25.22821 
1 1 1   -3   10   23 o  938.457   11.825  1142.85   28.745  1148.38   41.175  1137.59   40.149  939.774   16.914  935.423   16.570 4.350891 23.67815 
1 1 1   -3   10   24 o  175.642   17.013   40.506   7.6433   39.357   10.415   41.848   11.252  171.930   24.043  177.155   25.234 -5.225189 34.85435 
1 1 1   -3   10   25 o  437.623   11.232  248.590   12.732  246.064   18.416  250.903   17.622  434.854   16.350  439.215   15.489 -4.360901 22.52179 
1 1 1   -3   10   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   10   27 f  214.003   23.149   60.728   12.628   60.728   12.628   0.0000   0.0000  214.003   23.149  ?   ?  0.000000 23.14889 
1 1 1   -3   10   28 o   52.955   23.677  -2.7569   6.6542  -6.2630   8.5791   2.5372   10.542   55.969   25.745   77.713   32.141 -21.74339 41.18085 
1 1 1   -3   10   29 o  437.819   11.319  249.320   12.837  236.533   18.028  262.469   18.282  425.463   16.358  448.329   15.742 -22.86594 22.70296 
1 1 1   -3   10   30 o  299.666   12.200  117.014   9.4696  104.224   13.349  129.970   13.435  281.148   18.432  314.602   16.545 -33.45404 24.76868 
1 1 1   -3   10   31 o   53.973   23.661  -1.2648   6.3326   6.4266   8.2568 -12.2526   9.8687   78.754   29.691   53.690   25.596 25.06412 39.20133 
1 1 1   -3   10   32 o  158.291   19.375   33.635   7.7784   31.619   10.610   35.978   11.437  150.559   28.242  160.747   28.513 -10.18765 40.13229 
1 1 1   -3   10   33 o   53.812   23.984  -2.2136   6.7702  -5.9943   9.9603   1.0333   9.2304   60.840   27.895   69.225   29.438 -8.384708 40.55542 
1 1 1   -3   10   34 o  101.963   25.807   14.690   6.8221   18.690   10.917   12.126   8.7388  113.818   34.238   94.249   30.958 19.56884 46.15930 
1 1 1   -3   10   35 o  183.820   23.816   46.609   11.073   52.600   13.809   35.820   18.533  193.059   28.469  150.849   44.430 42.20998 52.76795 
1 1 1   -3   10   36 o   70.226   30.192   1.0078   9.9025  -9.2190   14.862   9.1720   13.279   71.538   33.249   92.880   36.911 -21.34106 49.67864 
1 1 1   -3   10   37 o  101.231   25.897   14.860   6.8183   5.0278   10.209   22.776   9.1608   77.886   31.856  124.324   28.981 -46.43769 43.06664 
1 1 1   -3   10   38 o  135.138   22.998   25.929   7.7621   31.548   11.486   21.205   10.531  144.269   31.609  117.197   33.185 27.07169 45.83035 
1 1 1   -3   10   39 o   64.359   26.809   2.6697   7.4104   7.0950   10.720  -1.3798   10.255   81.530   32.902   65.814   29.412 15.71655 44.13142 
1 1 1   -3   10   40 o  117.904   24.326   20.399   7.1829   20.791   11.217   20.126   9.3517  113.292   34.837  113.450   30.960 -0.1578598 46.60578 
1 1 1   -3   10   41 o  107.918   27.768   17.912   7.8074   11.494   11.222   23.933   10.869   89.624   34.416  121.107   33.513 -31.48280 48.03695 
1 1 1   -3   10   42 o   94.718   28.003   14.019   7.3497   17.086   10.910   11.470   9.9450  101.313   34.612   87.422   32.659 13.89094 47.58812 
1 1 1   -3   10   43 o   70.202   28.392   5.6244   8.0013   5.9857   11.392   5.2728   11.240   76.868   32.697   75.440   32.293 1.428604 45.95548 
1 1 1   -3   10   44 o   99.611   36.318   18.305   12.170   18.470   16.369   18.100   18.199   98.430   40.307   97.847   41.461 0.5824890 57.82449 
1 1 1   -3   10   45 o   60.466   27.815  -1.7364   10.016  -5.6006   12.388   5.5580   17.020   61.752   29.219   80.145   36.642 -18.39301 46.86614 
1 1 1   -3   10   46 o   57.372   26.125  -0.7193   8.5421   2.7466   12.498  -3.7575   11.702   70.028   31.776   61.207   28.788 8.820755 42.87759 
1 1 1   -3   10   47 o   76.125   30.495   9.5708   9.1356  -8.6823   12.987   27.451   12.853   58.568   28.293  112.523   37.573 -53.95486 47.03392 
1 1 1   -3   10   48 o   89.039   31.375   15.549   8.9963   27.041   13.469   6.2917   12.088  106.417   38.294   71.078   31.837 35.33880 49.79941 
1 1 1   -3   10   49 o   71.820   31.521   8.8009   11.267   18.400   21.279   5.0614   13.281   82.132   38.688   68.430   31.674 13.70250 50.00031 
1 1 1   -3   11    1 o  622.804   9.5513  502.967   15.409  516.736   22.112  489.969   21.484  630.894   13.531  614.339   13.500 16.55432 19.11401 
1 1 1   -3   11    2 f  321.013   9.1851  133.614   7.6376  140.001   11.006  127.680   10.607  328.415   12.937  313.625   13.057 14.79056 18.38120 
1 1 1   -3   11    3 o  377.729   9.1384  185.005   8.9413  186.208   12.822  183.866   12.475  378.726   13.071  376.355   12.796 2.371582 18.29161 
1 1 1   -3   11    4 o  356.036   9.3776  164.390   8.6484  152.609   12.169  176.412   12.293  342.785   13.706  368.611   12.875 -25.82581 18.80421 
1 1 1   -3   11    5 o  423.207   9.3090  232.293   10.205  226.459   14.213  238.500   14.661  417.569   13.141  428.520   13.208 -10.95145 18.63126 
1 1 1   -3   11    6 o  305.354   9.7915  120.975   7.7447  122.556   11.277  119.563   10.655  307.046   14.179  303.322   13.561 3.724457 19.61977 
1 1 1   -3   11    7 o  627.839   9.9016  511.603   16.103  500.858   22.557  522.769   22.995  620.552   14.033  633.986   14.003 -13.43445 19.82427 
1 1 1   -3   11    8 o  222.150   14.304   64.513   8.1875   71.040   14.856   61.666   9.8121  231.024   25.236  216.643   17.638 14.38135 30.78927 
1 1 1   -3   11    9 o  350.029   9.7121  159.124   8.8058  130.200   18.547  167.542   10.005  313.824   22.975  359.055   10.758 -45.23120 25.36899 
1 1 1   -3   11   10 o  281.049   10.616  102.670   7.7282   89.530   17.161  106.013   8.6556  258.947   25.933  285.478   11.705 -26.53094 28.45211 
1 1 1   -3   11   11 o  379.349   9.6596  186.927   9.4918  166.200   20.697  192.448   10.681  354.684   22.645  384.780   10.717 -30.09583 25.05323 
1 1 1   -3   11   12 o  433.800   11.378  244.606   12.785  237.800   24.058  247.284   15.092  425.109   21.923  435.870   13.367 -10.76093 25.67667 
1 1 1   -3   11   13 o  648.250   11.377  545.833   19.104  556.900   32.488  539.983   23.619  653.050   19.205  644.259   14.153 8.791687 23.85693 
1 1 1   -3   11   14 o  768.877   15.164  768.789   30.202  768.789   30.202   0.0000   0.0000  768.877   15.164  ?   ?  0.000000 15.16447 
1 1 1   -3   11   15 o  168.269   32.814   38.460   13.789   38.460   13.789   0.0000   0.0000  168.269   32.814  ?   ?  0.000000 32.81376 
1 1 1   -3   11   16 o  138.745   15.632   25.318   5.5200   17.038   7.7992   33.629   7.8137  111.998   27.163  159.644   19.286 -47.64613 33.31343 
1 1 1   -3   11   17 o  449.775   9.7650  262.276   11.377  261.870   15.948  262.697   16.234  449.201   13.706  449.895   13.931 -0.6938477 19.54262 
1 1 1   -3   11   18 o  1215.40   13.645  1916.92   42.958  1934.90   61.470  1899.76   60.059  1219.87   19.454  1208.81   19.181 11.06055 27.31942 
1 1 1   -3   11   19 o  844.167   11.657  924.271   25.489  921.472   36.588  926.910   35.528  842.243   16.771  844.803   16.236 -2.560059 23.34202 
1 1 1   -3   11   20 o  277.442   12.937   99.881   9.2975   93.594   13.644  105.330   12.703  267.505   19.832  284.174   17.341 -16.66888 26.34421 
1 1 1   -3   11   21 o  897.259   11.612  1044.43   26.989  1035.24   38.434  1053.36   37.909  892.526   16.624  900.374   16.254 -7.848450 23.25004 
1 1 1   -3   11   22 o  874.683   11.587  992.697   26.253  995.316   37.481  990.174   36.783  875.008   16.537  872.796   16.270 2.211365 23.19862 
1 1 1   -3   11   23 o  251.027   13.370   82.066   8.6623   84.837   12.926   79.807   11.671  254.427   19.768  246.926   18.378 7.500381 26.99146 
1 1 1   -3   11   24 o  414.095   11.355  222.576   12.180  238.617   18.070  209.220   16.489  428.259   16.289  401.057   15.872 27.20139 22.74308 
1 1 1   -3   11   25 o  346.743   21.485  157.700   19.202  157.700   19.202   0.0000   0.0000  346.743   21.485  ?   ?  0.000000 21.48495 
1 1 1   -3   11   26 o  214.742   19.846   60.748   10.914   48.050   22.358   64.720   12.506  184.693   46.705  221.274   22.115 -36.58098 51.67635 
1 1 1   -3   11   27 o   95.218   28.694   12.112   7.6622   11.004   11.003   13.154   10.677   97.202   34.649  102.016   34.243 -4.814796 48.71510 
1 1 1   -3   11   28 o  306.386   12.308  122.149   9.7681  123.599   13.425  120.519   14.239  307.103   16.942  302.961   18.229 4.142059 24.88669 
1 1 1   -3   11   29 o  145.880   20.945   28.559   7.6875   39.118   10.886   18.056   10.857  169.977   25.513  114.577   34.073 55.39925 42.56606 
1 1 1   -3   11   30 o  282.383   18.667  105.378   13.577   0.0000   0.0000  105.378   13.577  ?   ?   282.383   18.667 0.000000 18.66744 
1 1 1   -3   11   31 o  168.549   16.781   37.722   7.2291   36.491   9.6715   39.281   10.882  163.858   23.456  169.401   25.599 -5.543015 34.71958 
1 1 1   -3   11   32 o  293.378   12.424  112.602   9.4414  122.790   13.832  103.714   12.919  304.350   17.621  279.511   17.938 24.83826 25.14506 
1 1 1   -3   11   33 o  269.501   13.927   95.668   9.6894   86.368   13.540  105.431   13.872  253.413   20.811  280.895   19.180 -27.48145 28.30116 
1 1 1   -3   11   34 f   82.640   28.323   8.9159   7.3056   18.022   10.080  -1.1586   10.603  111.543   32.743   69.488   30.536 42.05447 44.77232 
1 1 1   -3   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   11   36 o  204.026   15.588   55.674   8.1756   54.551   11.918   56.673   11.236  197.949   23.716  202.920   21.714 -4.971680 32.15445 
1 1 1   -3   11   37 o  174.057   18.775   41.442   8.3307   40.267   11.596   42.696   11.976  166.498   27.874  171.511   27.916 -5.012436 39.44945 
1 1 1   -3   11   38 o  201.138   16.767   54.918   8.6561   67.694   12.361   42.625   12.125  219.973   21.989  169.857   28.573 50.11557 36.05431 
1 1 1   -3   11   39 o  172.554   17.093   40.774   7.5396   51.088   10.790   30.931   10.540  189.866   22.368  142.691   29.492 47.17474 37.01439 
1 1 1   -3   11   40 o  158.926   19.406   35.371   7.8229   42.300   10.716   27.463   11.447  169.975   25.092  130.301   33.672 39.67392 41.99347 
1 1 1   -3   11   41 o   67.584   26.491   5.1925   6.7533   4.0711   8.8913   6.7216   10.382   69.985   29.278   78.199   32.071 -8.213898 43.42486 
1 1 1   -3   11   42 o  157.657   20.869   35.822   8.3129   38.312   11.376   32.968   12.178  156.050   29.216  139.951   33.942 16.09933 44.78419 
1 1 1   -3   11   43 o  191.283   19.168   52.307   9.3695   50.006   13.490   54.451   13.023  174.887   30.910  186.134   27.868 -11.24704 41.61753 
1 1 1   -3   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   11   45 o   80.199   29.985   10.657   8.3863   7.0007   12.217   13.915   11.533   75.963   33.093   87.609   34.530 -11.64602 47.82798 
1 1 1   -3   11   46 o   71.859   28.860   7.7044   8.2054   8.6834   12.342   6.9288   10.985   77.217   33.451   73.236   31.643 3.981361 46.04617 
1 1 1   -3   11   47 o  121.142   29.180   26.092   9.0478   34.764   12.283   15.805   13.378  131.402   35.324   86.756   36.070 44.64589 50.48658 
1 1 1   -3   11   48 o   69.753   28.331   7.9706   8.0040  -0.4630   11.911   14.914   10.808   62.032   29.134   84.099   33.338 -22.06713 44.27406 
1 1 1   -3   12    1 o  726.950   11.752  686.193   22.128  657.300   37.278  701.913   27.497  709.681   20.279  734.747   14.448 -25.06653 24.89891 
1 1 1   -3   12    2 o  1009.05   11.898  1322.29   31.099  1362.00   45.081  1286.23   42.957  1022.64   17.019  993.897   16.686 28.74286 23.83377 
1 1 1   -3   12    3 o  426.401   9.3945  235.904   10.376  243.070   14.993  229.317   14.375  432.431   13.385  420.039   13.212 12.39191 18.80747 
1 1 1   -3   12    4 f  396.205   9.5727  203.721   9.8244  211.898   14.163  196.138   13.640  403.669   13.545  388.366   13.559 15.30295 19.16478 
1 1 1   -3   12    5 o  163.449   13.265   34.976   5.5677   37.406   8.0054   32.699   7.7487  168.218   18.688  157.000   19.472 11.21828 26.98857 
1 1 1   -3   12    6 o  339.735   10.119  149.905   8.9050  153.499   12.676  146.403   12.513  343.311   14.254  335.262   14.409 8.049591 20.26785 
1 1 1   -3   12    7 o  349.078   10.186  158.319   9.2100  152.576   13.028  164.055   13.021  342.106   14.702  354.824   14.167 -12.71811 20.41746 
1 1 1   -3   12    8 o  312.294   15.229  127.263   12.319   0.0000   0.0000  127.263   12.319  ?   ?   312.294   15.229 0.000000 15.22856 
1 1 1   -3   12    9 o  447.612   9.6228  260.280   11.157  273.100   24.142  256.799   12.581  456.086   20.435  444.414   10.929 11.67230 23.17432 
1 1 1   -3   12   10 o  366.109   9.9829  174.126   9.4671  122.400   19.884  189.288   10.766  303.396   25.539  381.605   10.891 -78.20956 27.76472 
1 1 1   -3   12   11 o   48.573   20.423   0.4089   4.3609 -28.2500   14.970   3.0663   4.5586   59.329   29.041   57.753   21.993 1.575558 36.42868 
1 1 1   -3   12   12 o  283.115   14.907  104.595   10.894   0.0000   0.0000  104.595   10.894  ?   ?   283.115   14.907 0.000000 14.90695 
1 1 1   -3   12   13 o  467.483   14.767  284.118   17.882  265.800   26.153  300.200   24.505  451.057   22.384  479.822   19.716 -28.76550 29.82918 
1 1 1   -3   12   14 f  597.419   11.777  463.154   18.225  455.400   33.101  466.527   21.832  591.033   21.621  599.342   14.062 -8.308167 25.79224 
1 1 1   -3   12   15 o   36.698   17.607  -7.0269   4.8328  -6.0317   6.8975  -7.9866   6.7735   48.992   22.729   45.690   21.615 3.301693 31.36629 
1 1 1   -3   12   16 o  131.959   16.928   22.993   5.6529   25.372   7.8184   20.386   8.1829  137.790   22.696  122.654   26.528 15.13554 34.91142 
1 1 1   -3   12   17 o  343.048   11.044  152.615   9.8141  141.900   14.418  161.866   13.396  330.066   16.921  353.117   14.646 -23.05139 22.37911 
1 1 1   -3   12   18 o  527.110   10.977  360.318   14.988  358.834   21.394  361.747   21.003  525.666   15.712  527.826   15.362 -2.160217 21.97417 
1 1 1   -3   12   19 o  676.678   10.719  593.813   18.788  597.804   26.877  590.000   26.275  678.491   15.293  674.076   15.048 4.415100 21.45485 
1 1 1   -3   12   20 o  489.732   10.453  311.046   13.260  313.018   19.016  309.179   18.499  490.936   14.954  487.944   14.637 2.992065 20.92465 
1 1 1   -3   12   21 o  135.419   19.285   24.344   6.5737   26.790   10.055   22.518   8.6874  140.558   28.591  128.873   26.894 11.68469 39.25157 
1 1 1   -3   12   22 o   81.066   27.757   7.8956   7.0167  -1.8619   10.361   16.162   9.5366   69.874   30.457  109.706   31.746 -39.83220 43.99425 
1 1 1   -3   12   23 o  702.553   10.978  640.563   19.978  638.013   29.089  642.841   27.485  700.346   16.035  703.165   15.090 -2.818726 22.01870 
1 1 1   -3   12   24 f  209.840   17.755   57.775   9.5603   77.630   15.545   45.696   12.124  242.111   25.154  184.903   26.035 57.20851 36.20186 
1 1 1   -3   12   25 o  640.560   22.965  537.500   38.104  537.500   38.104   0.0000   0.0000  640.560   22.965  ?   ?  0.000000 22.96496 
1 1 1   -3   12   26 o  494.078   11.113  317.141   14.222  305.531   20.601  327.712   19.657  484.064   16.430  501.584   15.130 -17.52002 22.33520 
1 1 1   -3   12   27 o  517.469   14.886  349.076   19.953   0.0000   0.0000  349.076   19.953  ?   ?   517.469   14.886 0.000000 14.88586 
1 1 1   -3   12   28 o   81.096   27.217   8.2625   6.7451   15.347   9.9533   2.2457   9.1724  106.598   32.822   72.444   29.973 34.15396 44.44819 
1 1 1   -3   12   29 o   67.108   26.102   3.8913   6.5181  -1.2736   9.6009   8.3074   8.8776   67.214   29.308   85.354   31.034 -18.14057 42.68562 
1 1 1   -3   12   30 o  151.980   18.640   30.889   7.1844   29.382   10.564   32.187   9.7996  145.101   29.119  153.173   25.602 -8.072067 38.77372 
1 1 1   -3   12   31 o   85.176   25.560   9.9171   6.0894   18.642   8.2371  -0.5977   9.0427  115.026   27.926   65.832   28.576 49.19323 39.95591 
1 1 1   -3   12   32 o   99.640   26.122   13.973   6.8245   10.843   9.4597   17.370   9.8548   91.862   32.187  110.357   32.369 -18.49480 45.64826 
1 1 1   -3   12   33 o  166.903   17.742   37.379   7.5528   32.557   11.361   41.198   10.111  150.886   30.123  173.329   23.094 -22.44241 37.95679 
1 1 1   -3   12   34 o   51.261   22.863  -1.9410   6.1643   0.8432   7.6484  -7.1018   10.413   62.786   26.751   60.490   28.016 2.295631 38.73628 
1 1 1   -3   12   35 f  106.744   35.888   16.562   11.727   3.8030   20.261   22.990   14.381   97.324   42.503  122.483   39.686 -25.15844 58.15033 
1 1 1   -3   12   36 o   59.559   25.697   0.3394   7.2242 -12.7572   10.018   14.529   10.428   52.396   25.194   99.927   33.840 -47.53120 42.18849 
1 1 1   -3   12   37 o   60.060   25.095   1.9190   6.5214  -1.4460   9.7253   4.6683   8.7907   64.523   28.753   72.920   29.662 -8.396873 41.31055 
1 1 1   -3   12   38 o  114.724   23.237   19.046   6.6685   23.689   8.9071   13.124   10.059  125.550   28.091   94.151   33.176 31.39943 43.47119 
1 1 1   -3   12   39 o   78.061   28.426   8.2801   7.4526   15.956   10.471   0.4006   10.609  100.628   33.911   68.780   30.372 31.84813 45.52349 
1 1 1   -3   12   40 o  105.507   27.994   17.216   7.7771   25.911   11.302   9.3972   10.718  125.505   33.946   84.434   33.285 41.07170 47.54200 
1 1 1   -3   12   41 o   58.718   25.924   0.0052   7.7269   6.0984   11.015  -5.8980   10.842   77.521   32.519   60.041   28.070 17.47982 42.95780 
1 1 1   -3   12   42 o   72.277   28.391   6.7017   7.7718   16.777   10.729  -4.4218   11.273   98.801   34.297   62.120   28.901 36.68145 44.85040 
1 1 1   -3   12   43 o  108.815   28.781   19.575   8.2370   23.621   11.776   15.698   11.526  112.650   35.850   93.970   35.149 18.68009 50.20682 
1 1 1   -3   12   44 o  110.985   39.262   25.923   14.101   1.7590   22.067   42.600   18.333   81.312   38.626  134.570   44.870 -53.25853 59.20564 
1 1 1   -3   12   45 o   52.108   24.288  -3.3374   8.0205   8.6872   11.440 -14.9618   11.248   77.020   32.763   50.403   24.774 26.61708 41.07519 
1 1 1   -3   12   46 f   46.103   22.335  -8.8580   8.2401  -5.3643   11.098 -13.1504   12.301   57.281   27.263   53.646   26.273 3.635006 37.86221 
1 1 1   -3   12   47 o   55.280   25.101   0.2039   7.8144   10.263   10.748 -11.0750   11.381   76.242   32.060   52.184   25.497 24.05796 40.96202 
1 1 1   -3   12   48 o   73.610   29.250   10.037   8.3378   22.802   11.165  -6.0553   12.536   99.447   34.962   57.199   27.671 42.24807 44.58702 
1 1 1   -3   13    1 o  666.127   11.605  576.899   20.024  586.500   35.038  572.243   24.401  669.045   20.218  662.799   14.213 6.245667 24.71344 
1 1 1   -3   13    2 o  402.764   11.213  210.872   11.699  192.600   20.442  219.770   14.266  382.694   20.699  410.850   13.405 -28.15585 24.66041 
1 1 1   -3   13    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   13    4 o  470.810   9.7013  287.942   11.831  296.067   16.972  280.261   16.502  476.692   13.745  463.795   13.736 12.89673 19.43171 
1 1 1   -3   13    5 o  242.169   11.680   76.297   7.3269   86.930   10.817   67.281   9.9599  257.446   16.304  226.203   17.125 31.24329 23.64542 
1 1 1   -3   13    6 o  251.772   11.366   82.456   7.4127   73.413   10.703   90.794   10.276  236.213   17.619  263.331   15.129 -27.11792 23.22335 
1 1 1   -3   13    7 o  395.742   9.8927  203.500   10.141  204.425   14.514  202.617   14.175  395.965   14.151  394.260   13.880 1.704529 19.82153 
1 1 1   -3   13    8 o  318.315   10.627  131.698   8.7619  118.483   12.329  145.181   12.454  300.857   15.877  333.717   14.407 -32.86002 21.43954 
1 1 1   -3   13    9 o  290.244   11.788  109.538   8.8627  102.471   12.866  115.920   12.226  279.456   17.867  297.680   15.913 -18.22391 23.92645 
1 1 1   -3   13   10 o  236.796   13.522   73.173   8.2598   0.0000   0.0000   73.173   8.2598  ?   ?   236.796   13.522 0.000000 13.52222 
1 1 1   -3   13   11 o   92.110   27.034   11.344   6.8722   0.0000   0.0000   11.344   6.8722  ?   ?    92.110   27.034 0.000000 27.03446 
1 1 1   -3   13   12 f  651.747   21.932  554.500   37.026  554.500   37.026   0.0000   0.0000  651.747   21.932  ?   ?  0.000000 21.93212 
1 1 1   -3   13   13 o  274.787   13.872   98.300   9.8416   97.530   20.508   98.530   11.218  271.228   29.674  274.897   15.820 -3.668945 33.62820 
1 1 1   -3   13   14 o  501.464   11.909  326.244   15.469  350.700   30.523  317.793   17.944  518.749   22.716  494.764   14.001 23.98489 26.68385 
1 1 1   -3   13   15 o  366.776   12.177  174.522   11.569  203.300   22.190  163.780   13.557  394.543   21.797  355.171   14.736 39.37161 26.31044 
1 1 1   -3   13   16 o  662.614   15.486  570.146   26.580  570.146   26.580   0.0000   0.0000  662.614   15.486  ?   ?  0.000000 15.48595 
1 1 1   -3   13   17 o  689.402   10.888  616.360   19.443  620.294   27.702  612.541   27.296  691.137   15.474  686.819   15.343 4.317322 21.79109 
1 1 1   -3   13   18 o  573.939   11.038  427.234   16.409  420.455   23.528  433.655   22.898  568.929   15.965  577.860   15.298 -8.931152 22.11113 
1 1 1   -3   13   19 o   69.118   26.152   4.4713   6.4201  -8.0404   9.7275   14.127   8.5456   58.673   27.140  102.934   30.128 -44.26037 40.55018 
1 1 1   -3   13   20 o  521.294   10.354  352.474   13.981  344.184   19.628  361.013   19.918  514.738   14.721  527.186   14.586 -12.44843 20.72354 
1 1 1   -3   13   21 o  358.784   11.073  167.031   10.291  159.099   14.933  174.206   14.202  349.764   16.483  366.125   14.975 -16.36093 22.26944 
1 1 1   -3   13   22 f  323.529   12.116  135.902   10.154  126.504   14.687  144.506   14.053  311.118   18.305  333.280   16.278 -22.16238 24.49612 
1 1 1   -3   13   23 o  165.645   19.315   36.263   8.1320   49.104   11.836   24.782   11.192  192.163   24.323  134.358   32.510 57.80457 40.60164 
1 1 1   -3   13   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   13   25 o   92.527   27.842   11.411   7.2180  -0.5879   10.455   22.340   9.9775   71.975   30.984  127.396   30.616 -55.42168 43.55836 
1 1 1   -3   13   26 o  204.030   15.564   54.597   8.1637   52.453   13.139   55.946   10.419  197.667   26.315  205.771   19.791 -8.104706 32.92704 
1 1 1   -3   13   27 o   92.226   26.545   11.544   6.6837   16.431   10.550   8.2669   8.6384  110.159   33.770   85.083   30.662 25.07661 45.61344 
1 1 1   -3   13   28 o  111.139   24.297   16.993   6.7995   14.845   10.165   18.733   9.1473  105.068   33.295  115.976   30.164 -10.90854 44.92696 
1 1 1   -3   13   29 o  128.545   22.409   22.526   7.1902   21.810   10.733   23.110   9.6843  124.213   32.854  128.364   29.713 -4.151619 44.29721 
1 1 1   -3   13   30 o   86.495   26.561   10.163   6.5233   17.431   10.325   5.3338   8.4158  111.306   33.256   76.135   29.647 35.17072 44.55222 
1 1 1   -3   13   31 o  117.705   24.194   19.291   7.1301   16.961   10.026   21.675   10.142  109.337   32.794  122.870   31.668 -13.53276 45.58827 
1 1 1   -3   13   32 o  129.442   23.812   23.289   7.6898   32.054   11.053   15.069   10.705  150.092   29.483  104.010   34.269 46.08231 45.20618 
1 1 1   -3   13   33 o  166.295   27.658   39.048   11.496   0.0000   0.0000   39.048   11.496  ?   ?   166.295   27.658 0.000000 27.65847 
1 1 1   -3   13   34 o   92.194   40.669   1.0330   18.976   0.0000   0.0000   1.0330   18.976  ?   ?    92.194   40.669 0.000000 40.66932 
1 1 1   -3   13   35 o  112.476   25.271   18.205   7.1830   24.113   11.224   14.107   9.3482  125.992   33.723   98.576   32.002 27.41644 46.49081 
1 1 1   -3   13   36 o   76.668   27.011   7.7889   6.6676   15.969   9.5789   0.0999   9.2868  102.987   32.280   65.801   28.754 37.18612 43.22976 
1 1 1   -3   13   37 o  149.287   19.138   30.903   7.2303   36.531   9.3525   22.543   11.399  160.154   23.222  119.014   34.786 41.14046 41.82448 
1 1 1   -3   13   38 o  167.201   19.766   39.075   8.3950   44.496   11.993   33.866   11.756  172.867   27.719  147.419   31.725 25.44807 42.12881 
1 1 1   -3   13   39 f   77.503   27.748   8.3851   7.0636   15.086   11.056   3.7636   9.1820   97.769   34.746   70.486   29.635 27.28297 45.66736 
1 1 1   -3   13   40 o  205.979   15.617   58.052   8.2706   66.482   11.784   49.869   11.611  215.654   21.377  183.404   25.098 32.25095 32.96822 
1 1 1   -3   13   41 o   41.530   20.254 -10.8780   7.0884  -5.9885   9.4365 -17.2094   10.738   55.315   25.964   49.226   24.197 6.089096 35.49119 
1 1 1   -3   13   42 o  154.681   20.340   34.803   7.9521   31.731   11.064   38.084   11.437  137.254   31.752  152.818   29.963 -15.56332 43.65744 
1 1 1   -3   13   43 o   91.439   35.690   15.176   12.218   29.250   16.118  -3.8360   18.733  115.219   41.828   74.411   35.417 40.80821 54.80841 
1 1 1   -3   13   44 o   61.435   28.082  -0.4145   9.9896  -7.2883   12.424   12.160   16.803   59.535   28.476   85.573   37.983 -26.03757 47.47161 
1 1 1   -3   13   45 o  147.070   24.032   34.359   8.8387   46.977   13.360   24.536   11.787  159.402   33.424  108.834   35.964 50.56809 49.09782 
1 1 1   -3   13   46 o   96.726   31.357   18.057   8.9772   13.074   12.312   23.713   13.118   81.987   34.385  101.267   37.572 -19.28000 50.93146 
1 1 1   -3   13   47 o   73.701   29.209   9.7371   8.2944   12.834   12.510   7.3078   11.080   79.259   34.002   70.425   31.071 8.833969 46.05983 
1 1 1   -3   13   48 o   70.196   31.180   8.5902   11.344  -2.9680   21.873   12.843   13.267   67.717   33.519   76.222   33.795 -8.504990 47.59901 
1 1 1   -3   14    1 o  550.670   9.8057  394.044   13.987  394.583   19.958  393.524   19.607  550.098   14.007  549.420   13.777 0.6782227 19.64683 
1 1 1   -3   14    2 o  424.533   11.445  234.480   12.586  232.500   22.315  235.404   15.242  420.652   20.479  424.924   13.848 -4.271820 24.72183 
1 1 1   -3   14    3 o  496.917   11.360  321.227   14.622  328.800   25.991  317.720   17.686  500.407   20.052  493.671   13.831 6.735352 24.35888 
1 1 1   -3   14    4 o  130.273   18.714   22.677   6.1337   19.013   8.8321   26.091   8.5248  117.233   29.195  138.562   24.655 -21.32947 38.21310 
1 1 1   -3   14    5 o  288.956   11.244  108.584   8.4160  102.254   12.053  114.607   11.757  279.227   16.741  295.943   15.390 -16.71637 22.74016 
1 1 1   -3   14    6 o  376.358   10.483  184.070   10.220  185.523   14.717  182.717   14.202  377.168   15.064  374.376   14.645 2.792572 21.00939 
1 1 1   -3   14    7 o  254.613   12.451   84.320   8.2114   79.718   11.831   88.597   11.406  246.224   18.690  259.967   17.032 -13.74263 25.28625 
1 1 1   -3   14    8 o  657.127   12.000  561.199   20.426  583.800   36.023  550.488   24.798  667.921   20.821  650.261   14.722 17.65985 25.50016 
1 1 1   -3   14    9 o  713.679   15.110  662.834   27.933  653.200   39.172  672.800   39.843  706.780   21.397  717.290   21.444 -10.51044 30.29283 
1 1 1   -3   14   10 o  217.450   16.959   61.919   9.4768   51.020   16.883   66.934   11.451  193.605   34.951  225.706   19.786 -32.10089 40.16251 
1 1 1   -3   14   11 o  729.836   15.295  692.317   28.914  705.000   41.366  680.200   40.432  735.174   21.722  722.153   21.614 13.02118 30.64371 
1 1 1   -3   14   12 o  254.545   14.227   84.402   9.3429   56.870   17.781   94.903   10.981  205.233   34.682  269.794   15.782 -64.56050 38.10392 
1 1 1   -3   14   13 o  285.448   11.665  105.703   8.6253  100.500   20.488  106.824   9.5091  275.663   29.134  286.909   12.795 -11.24692 31.82011 
1 1 1   -3   14   14 o  524.586   10.275  356.845   13.963  395.500   30.250  346.379   15.740  551.184   21.187  516.739   11.759 34.44482 24.23189 
1 1 1   -3   14   15 o  396.939   11.820  204.387   12.153  180.100   29.195  209.478   13.367  369.695   30.767  401.795   12.843 -32.09970 33.33946 
1 1 1   -3   14   16 o  456.040   13.768  269.940   16.263  203.100   34.108  289.608   18.502  392.019   33.924  472.256   15.125 -80.23740 37.14278 
1 1 1   -3   14   17 o  395.362   13.557  202.894   13.884  150.300   28.638  219.053   15.874  336.856   33.255  410.709   14.921 -73.85291 36.44921 
1 1 1   -3   14   18 o  769.217   11.116  767.563   22.149  766.293   31.455  768.812   31.193  767.950   15.813  769.237   15.655 -1.286133 22.25110 
1 1 1   -3   14   19 o  107.791   24.280   15.770   6.6165   13.034   9.5865   18.259   9.1434  100.784   32.376  115.862   30.169 -15.07806 44.25368 
1 1 1   -3   14   20 o  553.129   10.581  396.944   15.160  411.671   22.407  384.512   20.587  562.753   15.372  543.969   14.611 18.78381 21.20750 
1 1 1   -3   14   21 o  249.267   13.022   80.926   8.3791   78.646   12.321   82.888   11.429  244.845   19.592  251.700   17.640 -6.854797 26.36316 
1 1 1   -3   14   22 o  131.932   21.526   23.317   7.1028   12.527   10.131   33.749   9.9609   99.925   33.357  158.604   25.079 -58.67882 41.73349 
1 1 1   -3   14   23 o  355.771   20.758  166.000   19.047  166.000   19.047   0.0000   0.0000  355.771   20.758  ?   ?  0.000000 20.75840 
1 1 1   -3   14   24 o  382.316   28.892  194.200   28.401  194.200   28.401   0.0000   0.0000  382.316   28.892  ?   ?  0.000000 28.89226 
1 1 1   -3   14   25 o  488.928   10.804  310.629   13.682  299.026   20.119  320.613   18.663  478.722   16.224  496.065   14.524 -17.34320 21.77577 
1 1 1   -3   14   26 o  412.589   11.668  221.469   12.470  198.929   17.884  242.802   17.398  389.888   17.708  431.244   15.575 -41.35681 23.58252 
1 1 1   -3   14   27 o   76.567   27.868   6.5303   7.1613   8.4670   9.9664   4.4631   10.297   88.292   32.751   80.258   32.296 8.034058 45.99629 
1 1 1   -3   14   28 f   72.226   27.388   5.1886   7.0508  -0.0906   9.7552   10.963   10.203   69.616   29.949   94.481   33.399 -24.86464 44.86057 
1 1 1   -3   14   29 o  140.048   21.664   26.649   7.6054   27.006   11.079   26.331   10.459  137.931   31.676  136.551   30.357 1.379196 43.87363 
1 1 1   -3   14   30 o   67.688   26.622   3.9247   6.8415   10.979   9.6580  -3.1811   9.6929   92.696   32.520   63.832   28.556 28.86403 43.27782 
1 1 1   -3   14   31 o  128.570   23.177   22.896   7.4349   24.166   10.829   21.762   10.226  129.049   32.433  122.631   31.892 6.418091 45.48688 
1 1 1   -3   14   32 o  269.571   18.471   97.316   12.820   0.0000   0.0000   97.316   12.820  ?   ?   269.571   18.471 0.000000 18.47105 
1 1 1   -3   14   33 o  206.288   15.355   56.682   8.1463   71.675   12.056   44.084   11.051  229.754   20.472  177.873   24.647 51.88165 32.04043 
1 1 1   -3   14   34 o   42.678   21.318 -24.3064   9.6894 -29.9400   21.320 -22.8400   10.878   71.895   35.077   47.743   23.633 24.15294 42.29557 
1 1 1   -3   14   35 o   39.650   19.376 -11.5119   6.5825 -10.5922   8.7785 -12.6932   9.9492   49.794   23.848   52.076   25.058 -2.282310 34.59214 
1 1 1   -3   14   36 f   95.005   27.810   13.419   7.2809   8.5120   9.7237   19.680   10.985   83.089   32.003  111.972   34.482 -28.88248 47.04438 
1 1 1   -3   14   37 o   48.821   22.923  -6.1127   7.3666  -2.3849   10.637  -9.5483   10.212   65.137   29.459   55.316   26.277 9.820732 39.47548 
1 1 1   -3   14   38 o   87.949   27.294   11.653   6.8675   4.7250   10.785   16.378   8.9063   75.934   32.032  101.968   30.983 -26.03470 44.56440 
1 1 1   -3   14   39 o   62.895   25.444   3.7188   6.4283   12.267   8.6455  -6.8504   9.6133   89.273   30.799   55.504   26.102 33.76826 40.37180 
1 1 1   -3   14   40 o   81.860   29.301   10.048   7.8758   16.330   11.218   3.9417   11.060   98.559   35.002   73.564   31.768 24.99495 47.26872 
1 1 1   -3   14   41 o  171.718   20.276   42.614   8.8446   29.263   13.338   53.092   11.816  125.245   37.884  187.102   25.006 -61.85606 45.39311 
1 1 1   -3   14   42 o   75.463   29.724   8.1877   8.5402   13.742   12.014   2.5145   12.142   89.238   35.221   71.047   31.859 18.19152 47.49238 
1 1 1   -3   14   43 o   76.578   35.791   2.1260   17.609   0.0000   0.0000   2.1260   17.609  ?   ?    76.578   35.791 0.000000 35.79140 
1 1 1   -3   14   44 o  100.969   29.993   18.336   8.4160   14.195   11.863   22.533   11.942   86.339   34.692  104.140   36.182 -17.80055 50.12653 
1 1 1   -3   14   45 o   71.122   28.842   7.8288   8.2812   12.836   10.904   1.0049   12.729   82.264   33.188   66.433   30.841 15.83142 45.30606 
1 1 1   -3   14   46 o   50.211   23.381  -2.3341   7.4052  -2.2913   10.054  -2.3849   10.949   56.908   26.740   58.626   27.657 -1.718281 38.46976 
1 1 1   -3   14   47 o   71.151   28.694   9.1282   8.1479   14.091   12.195   5.1263   10.951   79.581   33.839   65.991   29.864 13.59003 45.13280 
1 1 1   -3   15    1 o  167.995   14.829   37.071   6.3866   30.094   9.4775   42.875   8.6440  149.036   25.465  180.054   18.811 -31.01871 31.65939 
1 1 1   -3   15    2 o  179.874   14.700   42.442   6.7892   34.975   9.7791   49.389   9.4330  161.289   24.150  193.354   19.083 -32.06543 30.77950 
1 1 1   -3   15    3 o  331.354   12.301  142.802   10.558  121.300   18.989  152.423   12.702  302.586   24.436  342.076   14.335 -39.48996 28.33021 
1 1 1   -3   15    4 o  225.537   15.225   66.578   8.8422   71.410   18.095   65.063   10.135  229.957   31.182  222.525   17.730 7.431900 35.86972 
1 1 1   -3   15    5 o  409.243   11.911  217.655   12.626  225.000   22.386  214.228   15.291  414.103   20.938  405.667   14.551 8.435242 25.49797 
1 1 1   -3   15    6 o  387.787   14.556  195.686   14.621  204.200   20.819  187.400   20.538  394.718   20.433  377.946   21.063 16.77249 29.34501 
1 1 1   -3   15    7 o  407.826   12.236  216.055   12.926  207.769   15.867  232.400   22.287  399.592   15.330  421.858   20.395 -22.26633 25.51389 
1 1 1   -3   15    8 o  256.414   12.923   85.619   8.5558   91.302   12.537   80.665   11.705  264.089   18.443  248.164   18.339 15.92418 26.00878 
1 1 1   -3   15    9 o  280.915   18.904  103.227   13.675   87.760   19.599  117.900   19.090  256.850   30.025  299.287   24.850 -42.43652 38.97464 
1 1 1   -3   15   10 o  871.348   13.391  985.780   30.224  978.374   36.850  1001.00   52.827  867.532   16.399  875.858   23.285 -8.325623 28.47967 
1 1 1   -3   15   11 o  582.843   12.328  440.821   18.612  450.800   32.983  436.159   22.544  588.222   21.647  579.482   15.019 8.739441 26.34695 
1 1 1   -3   15   12 o  469.107   10.237  285.374   12.439  323.700   27.931  275.892   13.892  498.525   21.630  461.164   11.630 37.36188 24.55792 
1 1 1   -3   15   13 o  662.448   10.795  569.136   18.523  582.000   39.211  565.441   21.015  668.344   22.649  660.161   12.290 8.183655 25.76882 
1 1 1   -3   15   14 o  342.690   13.100  152.402   11.628  147.500   27.303  153.489   12.852  334.018   31.946  343.836   14.431 -9.817719 35.05419 
1 1 1   -3   15   15 f  573.744   13.562  427.277   20.155  485.100   42.603  410.604   22.877  609.363   26.991  562.229   15.708 47.13458 31.22900 
1 1 1   -3   15   16 o  522.999   11.544  354.855   15.639  360.000   35.393  353.606   17.434  524.984   26.027  521.970   12.894 3.014221 29.04595 
1 1 1   -3   15   17 o  206.198   16.622   55.628   8.8024   56.940   25.808   55.455   9.3639  202.423   49.606  205.730   17.745 -3.306763 52.68474 
1 1 1   -3   15   18 o  642.845   12.554  536.465   20.905  540.900   39.254  534.710   24.699  643.621   23.545  641.494   14.864 2.127136 27.84448 
1 1 1   -3   15   19 o  417.589   10.997  226.289   11.895  215.748   16.644  237.293   17.006  407.328   15.775  427.226   15.367 -19.89801 22.02268 
1 1 1   -3   15   20 o  248.315   13.182   80.329   8.4485   78.177   11.793   82.599   12.109  244.213   18.786  251.069   18.755 -6.855743 26.54601 
1 1 1   -3   15   21 o  215.526   15.077   60.722   8.3643   49.950   11.600   72.386   12.071  193.948   23.576  234.648   20.053 -40.70020 30.95061 
1 1 1   -3   15   22 o   82.994   33.276   4.5970   10.888   4.5970   10.888   0.0000   0.0000   82.994   33.276  ?   ?  0.000000 33.27583 
1 1 1   -3   15   23 o  244.219   33.532   80.740   20.653   80.740   20.653   0.0000   0.0000  244.219   33.532  ?   ?  0.000000 33.53227 
1 1 1   -3   15   24 o   70.436   25.966   5.2214   6.2457   10.010   8.6863   0.0959   8.9869   90.196   30.884   67.846   28.954 22.35023 42.33368 
1 1 1   -3   15   25 o  363.641   17.472  172.996   16.457  172.996   16.457   0.0000   0.0000  363.641   17.472  ?   ?  0.000000 17.47152 
1 1 1   -3   15   26 o  282.909   13.610  104.415   9.9738   98.991   14.516  109.267   13.728  273.444   20.646  287.958   18.502 -14.51340 27.72317 
1 1 1   -3   15   27 f  314.885   12.414  129.357   10.126  126.955   14.756  131.495   13.920  310.066   18.455  316.016   17.069 -5.949280 25.13857 
1 1 1   -3   15   28 o  183.293   16.085   44.474   7.5597   46.384   11.328   42.940   10.151  184.768   24.255  178.261   22.483 6.506851 33.07254 
1 1 1   -3   15   29 o  196.271   16.053   51.070   8.0898   45.427   11.883   55.943   11.044  181.649   25.997  203.786   21.234 -22.13663 33.56668 
1 1 1   -3   15   30 o  194.758   15.594   50.343   7.8007   48.984   10.953   51.741   11.112  189.555   22.764  195.028   22.403 -5.473373 31.93838 
1 1 1   -3   15   31 o  290.408   12.897  110.791   9.7018  103.902   13.727  117.667   13.714  278.283   19.160  296.850   17.919 -18.56711 26.23328 
1 1 1   -3   15   32 o  211.173   15.398   59.373   8.3646   72.060   11.792   46.522   11.867  230.721   19.926  182.265   25.862 48.45641 32.64771 
1 1 1   -3   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   15   34 o  144.356   22.086   29.179   7.9960   35.412   11.191   22.678   11.429  155.552   28.837  121.254   34.655 34.29767 45.08321 
1 1 1   -3   15   35 o   85.599   27.806   10.549   7.0572   11.092   9.6600   9.9285   10.335   89.375   32.391   87.415   33.155 1.959297 46.35177 
1 1 1   -3   15   36 o   59.442   25.397   1.2107   6.9285   2.9861   11.025   0.0520   8.9070   74.334   31.905   63.725   27.996 10.60927 42.44634 
1 1 1   -3   15   37 o  121.511   22.881   21.475   6.9377   16.279   10.636   25.322   9.1528  101.053   34.177  128.790   28.216 -27.73681 44.31914 
1 1 1   -3   15   38 o  135.013   23.372   26.722   7.8778   11.698   10.952   42.830   11.340   89.263   34.065  168.728   26.846 -79.46532 43.37179 
1 1 1   -3   15   39 o   56.936   25.629  -1.4019   7.9408   1.8311   11.485  -4.3632   10.991   71.397   31.560   62.083   28.764 9.314125 42.70132 
1 1 1   -3   15   40 o   60.356   26.241   1.3886   7.6493   6.0198   11.247  -2.5973   10.434   76.468   32.506   62.026   28.480 14.44186 43.21758 
1 1 1   -3   15   41 o  102.152   28.244   17.180   7.7240   9.2517   10.465   26.670   11.448   80.011   32.430  121.326   34.688 -41.31503 47.48637 
1 1 1   -3   15   42 o   55.933   25.803  -2.3921   8.7047 -15.7500   11.310   17.020   13.634   50.525   24.836   93.584   37.335 -43.05808 44.84070 
1 1 1   -3   15   43 o   81.325   32.382   11.476   10.239  -1.4757   13.053   32.190   16.507   65.750   30.758  114.868   42.234 -49.11869 52.24689 
1 1 1   -3   15   44 o   72.745   29.788   8.2579   8.9394   13.148   12.624   3.3388   12.661   82.971   34.809   69.200   31.625 13.77065 47.02952 
1 1 1   -3   15   45 o   57.124   26.083   0.2365   8.5892   9.7148   11.905 -10.0526   12.404   75.648   32.813   55.135   26.868 20.51332 42.40939 
1 1 1   -3   15   46 o   51.602   24.364  -3.2086   8.5294   1.2749   12.441  -7.1856   11.717   63.789   29.900   54.897   26.605 8.891193 40.02239 
1 1 1   -3   15   47 f   73.858   29.846   11.054   8.8342   12.524   12.442   9.5599   12.546   75.104   33.039   71.137   32.099 3.967529 46.06446 
1 1 1   -3   16    1 o  324.067   15.084  136.669   12.662  151.200   18.328  123.400   17.514  339.482   20.945  306.300   22.225 33.18155 30.53899 
1 1 1   -3   16    2 o  576.779   14.315  432.672   21.388  434.500   30.489  430.900   30.010  576.753   20.408  574.416   20.169 2.337708 28.69310 
1 1 1   -3   16    3 o  161.939   20.351   34.766   8.3482   34.886   10.704   34.580   13.338  160.965   26.601  158.802   33.481 2.162888 42.76214 
1 1 1   -3   16    4 o  282.233   17.593  104.153   12.797   65.190   18.344  141.100   17.863  219.794   33.259  328.048   21.134 -108.2538 39.40559 
1 1 1   -3   16    5 o  360.560   12.455  168.826   11.632  178.300   20.655  164.426   14.077  368.908   21.711  355.589   15.283 13.31927 26.55048 
1 1 1   -3   16    6 o  373.239   12.830  180.902   12.404  183.500   22.627  179.785   14.832  374.036   23.473  371.869   15.398 2.167114 28.07227 
1 1 1   -3   16    7 o  258.244   19.710   87.368   13.085   95.830   18.410   78.730   18.601  269.306   26.745  243.131   30.184 26.17516 40.32871 
1 1 1   -3   16    8 o  476.387   15.075  294.846   18.602  291.100   27.285  298.100   25.427  472.478   22.294  478.373   20.520 -5.895355 30.30018 
1 1 1   -3   16    9 o  463.157   10.921  278.261   13.102  279.372   18.533  277.151   18.525  463.722   15.429  461.871   15.484 1.851532 21.85853 
1 1 1   -3   16   10 o  674.572   10.933  590.234   19.103  616.958   27.893  566.625   26.217  689.138   15.625  660.468   15.324 28.67010 21.88582 
1 1 1   -3   16   11 o  573.901   11.299  427.235   16.796  435.270   24.387  419.983   23.167  578.793   16.266  568.597   15.730 10.19556 22.62738 
1 1 1   -3   16   12 o  513.496   11.169  342.016   14.855  329.300   32.633  345.340   16.685  502.341   25.079  515.889   12.486 -13.54800 28.01469 
1 1 1   -3   16   13 o  576.966   11.521  431.838   17.218  444.500   37.361  428.423   19.402  583.671   24.712  574.550   13.036 9.120911 27.93956 
1 1 1   -3   16   14 o  598.819   11.459  465.189   17.775  448.400   39.254  469.520   19.936  585.935   25.863  601.477   12.796 -15.54187 28.85546 
1 1 1   -3   16   15 f  166.034   19.066   36.342   8.0512   18.500   25.794   38.269   8.4746  137.419   52.317  170.357   19.560 -32.93745 55.85401 
1 1 1   -3   16   16 o  619.389   11.221  497.775   18.003  524.400   39.141  490.630   20.276  633.728   23.844  614.768   12.732 18.95996 27.03044 
1 1 1   -3   16   17 o  355.842   12.580  164.400   11.596  169.300   30.109  163.546   12.565  357.117   32.919  354.838   13.670 2.278870 35.64457 
1 1 1   -3   16   18 o  100.835   28.613   13.694   7.8202   20.390   21.277   12.648   8.4087  133.117   48.098   98.050   30.164 35.06677 56.77458 
1 1 1   -3   16   19 o  257.603   15.792   86.663   10.487   41.890   28.529   93.657   11.276  175.398   55.800  267.759   16.336 -92.36154 58.14248 
1 1 1   -3   16   20 o  404.536   14.257  212.831   14.940  149.300   30.819  232.345   17.081  333.262   36.288  422.501   15.607 -89.23911 39.50225 
1 1 1   -3   16   21 o  302.628   15.113  119.231   11.847  116.600   15.278  123.200   18.762  298.059   19.904  305.546   23.896 -7.486725 31.09959 
1 1 1   -3   16   22 o   85.136   36.182   0.8718   13.927   4.4690   18.225  -4.1780   21.593  101.430   42.130   98.746   43.480 2.684486 60.54337 
1 1 1   -3   16   23 o  172.563   16.523   39.219   7.2954   42.268   9.6785   35.208   11.102  178.250   21.389  160.983   27.617 17.26620 34.93148 
1 1 1   -3   16   24 o  408.188   16.167  217.692   17.094   0.0000   0.0000  217.692   17.094  ?   ?   408.188   16.167 0.000000 16.16692 
1 1 1   -3   16   25 o  414.574   11.291  223.721   12.125  215.606   17.544  231.142   16.777  405.781   16.691  420.487   15.403 -14.70578 22.71225 
1 1 1   -3   16   26 o  397.104   11.364  205.484   11.689  202.908   17.563  207.532   15.661  393.052   17.250  398.128   15.187 -5.075684 22.98246 
1 1 1   -3   16   27 o   91.094   28.159   11.277   7.3177   9.4363   10.702   12.892   10.029   91.290   33.924   98.809   33.187 -7.518845 47.45738 
1 1 1   -3   16   28 o  208.365   15.128   57.373   8.1092   51.449   11.083   64.199   11.896  194.949   22.352  218.423   21.297 -23.47406 30.87349 
1 1 1   -3   16   29 o   78.798   27.952   7.6595   7.1522  -0.2362   9.9933   15.951   10.241   69.259   30.052  106.195   33.391 -36.93575 44.92326 
1 1 1   -3   16   30 o  197.830   16.280   52.167   8.2684   53.541   11.774   50.831   11.614  197.509   23.473  192.221   23.838 5.287994 33.45470 
1 1 1   -3   16   31 f  180.906   17.546   44.014   8.1189   35.471   11.863   51.541   11.135  156.593   30.342  193.649   22.626 -37.05597 37.84930 
1 1 1   -3   16   32 o   78.152   30.329   6.4961   8.7841   3.5790   10.992   11.650   14.611   77.545   32.505   99.056   38.922 -21.51028 50.71029 
1 1 1   -3   16   33 o  148.745   31.847   33.171   11.900   8.0140   23.397   41.950   13.822  104.728   45.706  166.881   33.143 -62.15377 56.45815 
1 1 1   -3   16   34 o  136.803   19.509   25.982   6.7174   28.396   9.8630   23.893   9.1740  138.318   28.477  126.503   28.661 11.81470 40.40267 
1 1 1   -3   16   35 o  141.842   21.092   28.414   7.5136   29.811   11.802   27.463   9.7432  137.327   33.481  134.860   28.769 2.466415 44.14305 
1 1 1   -3   16   36 o   74.829   27.203   7.5300   6.8210   10.466   9.3986   4.2631   9.9147   85.906   31.817   73.365   30.817 12.54134 44.29484 
1 1 1   -3   16   37 o  295.579   13.516  117.336   10.348  130.344   15.121  105.877   14.192  305.573   19.201  274.354   20.110 31.21906 27.80499 
1 1 1   -3   16   38 o  127.735   26.661   25.045   8.5362   13.578   12.225   35.955   11.925   93.016   35.868  149.028   31.856 -56.01244 47.97207 
1 1 1   -3   16   39 o   57.789   25.211   0.8539   7.1120   0.8396   9.4897   0.8724   10.742   64.528   28.597   67.607   30.166 -3.078629 41.56671 
1 1 1   -3   16   40 o  126.958   25.493   25.119   8.0925   20.449   11.940   29.086   11.006  104.934   36.195  129.677   32.756 -24.74319 48.81632 
1 1 1   -3   16   41 o   63.104   27.229   2.9589   8.1130   7.1165   12.478  -0.0857   10.678   77.167   33.532   64.108   29.198 13.05878 44.46308 
1 1 1   -3   16   42 o   79.530   36.817   6.3710   17.952   0.0000   0.0000   6.3710   17.952  ?   ?    79.530   36.817 0.000000 36.81678 
1 1 1   -3   16   43 o   86.603   30.162   13.772   8.3011   27.511   12.187   1.8811   11.338  114.023   36.491   65.647   29.972 48.37634 47.22186 
1 1 1   -3   16   44 o   81.943   29.981   12.556   8.3043   12.686   10.746   12.364   13.085   80.897   32.837   80.187   34.591 0.7102127 47.69497 
1 1 1   -3   16   45 o   65.435   27.946   5.9468   8.3827   18.847   12.515  -4.5493   11.289   89.092   35.692   56.571   27.081 32.52113 44.80244 
1 1 1   -3   16   46 o   59.766   26.568   3.6372   8.2516   1.0649   12.668   5.5330   10.875   62.511   29.569   65.638   29.727 -3.126972 41.92878 
1 1 1   -3   17    1 o  194.010   15.947   49.265   7.9434   39.210   11.311   59.049   11.158  171.164   26.358  211.859   20.592 -40.69554 33.44794 
1 1 1   -3   17    2 o  567.716   10.493  418.122   15.431  427.092   22.085  409.567   21.569  573.294   14.872  561.414   14.832 11.88000 21.00427 
1 1 1   -3   17    3 o  728.430   12.523  688.805   23.628  685.500   41.085  690.438   28.882  724.970   21.878  728.880   15.298 -3.909668 26.69608 
1 1 1   -3   17    4 o  357.251   16.120  165.910   14.917  153.300   21.555  177.500   20.665  341.724   24.514  368.331   21.756 -26.60654 32.77622 
1 1 1   -3   17    5 o  623.714   14.994  505.399   24.224  502.900   33.923  508.000   34.603  621.234   21.081  624.319   21.397 -3.084595 30.03762 
1 1 1   -3   17    6 o  414.632   15.921  223.418   17.099  216.300   26.059  228.800   22.660  406.241   24.884  419.088   20.874 -12.84659 32.47955 
1 1 1   -3   17    7 o  372.922   13.738  180.560   13.270  198.700   24.701  173.201   15.734  389.396   24.616  365.034   16.640 24.36124 29.71241 
1 1 1   -3   17    8 o  418.845   11.227  227.573   12.180  229.596   17.672  225.742   16.811  420.337   16.230  416.849   15.570 3.488037 22.49072 
1 1 1   -3   17    9 o   75.419   30.063   3.8080   8.8338   7.7409   13.251   0.6616   11.852   95.931   37.244   79.192   33.502 16.73880 50.09468 
1 1 1   -3   17   10 o  116.947   30.557   18.575   9.3589   15.210   13.151   22.028   13.322  111.595   38.002  128.158   37.647 -16.56373 53.49228 
1 1 1   -3   17   11 o  384.545   13.552  191.963   13.499  210.731   21.181  179.125   17.518  401.807   20.418  371.119   18.223 30.68835 27.36700 
1 1 1   -3   17   12 o  144.107   30.569   28.230   11.057   33.007   15.887   23.742   15.399  155.140   39.445  133.617   40.771 21.52306 56.72894 
1 1 1   -3   17   13 o  185.958   19.551   45.508   9.2764   62.370   26.232   43.098   9.9172  212.022   48.778  180.580   21.632 31.44234 53.35977 
1 1 1   -3   17   14 o  205.980   17.001   55.551   8.9900   65.430   20.581   53.221   9.9939  219.654   37.519  201.249   19.412 18.40489 42.24375 
1 1 1   -3   17   15 o  149.782   22.115   29.892   8.3219   12.660   25.534   31.940   8.8026  128.563   51.154  154.839   22.614 -26.27591 55.93001 
1 1 1   -3   17   16 o  519.909   11.488  350.855   15.471  329.100   34.451  356.350   17.315  500.448   26.673  523.831   12.761 -23.38293 29.56802 
1 1 1   -3   17   17 o  273.701   13.561   97.344   9.6141   28.540   27.652  106.804   10.254  153.724   54.916  286.675   13.808 -132.9516 56.62540 
1 1 1   -3   17   18 o  253.218   16.079   83.797   10.491   88.240   26.723   82.987   11.407  253.600   42.161  251.762   17.603 1.837936 45.68855 
1 1 1   -3   17   19 o  542.484   12.012  382.335   16.879  311.300   38.418  399.328   18.790  484.421   30.777  554.248   13.088 -69.82635 33.44396 
1 1 1   -3   17   20 o  513.344   26.099  347.700   34.590   0.0000   0.0000  347.700   34.590  ?   ?   513.344   26.099 0.000000 26.09926 
1 1 1   -3   17   21 o  192.637   32.173   50.600   15.488   73.250   21.206   24.710   22.673  231.190   36.633  140.607   49.780 90.58311 61.80618 
1 1 1   -3   17   22 o  296.061   15.910  114.712   12.156  109.000   24.534  116.570   13.995  283.357   34.111  297.979   18.219 -14.62201 38.67189 
1 1 1   -3   17   23 o   71.143   26.725   5.0739   6.6776  -0.2485   9.4322   10.422   9.4548   68.635   29.486   92.437   32.190 -23.80139 43.65379 
1 1 1   -3   17   24 o  153.557   17.460   31.299   6.8213   30.223   9.5856   32.404   9.7090  148.792   25.806  154.371   25.146 -5.579285 36.03201 
1 1 1   -3   17   25 o  161.767   18.321   34.857   7.5415   31.771   10.010   38.909   11.469  152.124   26.357  168.437   27.216 -16.31294 37.88661 
1 1 1   -3   17   26 o  266.321   13.438   93.043   9.2406  101.767   12.894   83.831   13.249  277.173   18.058  250.597   20.594 26.57549 27.38951 
1 1 1   -3   17   27 o  155.177   19.467   32.439   7.6526   33.516   11.733   31.642   10.096  153.816   30.524  150.739   26.840 3.076477 40.64629 
1 1 1   -3   17   28 o  155.155   18.908   32.472   7.4418   30.687   10.955   34.001   10.141  146.692   29.847  156.227   25.971 -9.535095 39.56393 
1 1 1   -3   17   29 o  281.044   13.181  103.846   9.5955   99.192   14.103  107.858   13.093  271.286   20.214  284.136   17.881 -12.84930 26.98823 
1 1 1   -3   17   30 o  131.828   21.177   23.992   6.9867   27.818   10.526   20.980   9.3410  138.287   30.230  119.882   30.119 18.40507 42.67286 
1 1 1   -3   17   31 o   63.658   24.842   3.8495   5.9190   4.1899   8.2552   3.4894   8.4913   71.465   28.861   70.596   28.984 0.8684311 40.90259 
1 1 1   -3   17   32 o   67.036   33.177 -38.8400   21.395 -38.8400   21.395   0.0000   0.0000   67.036   33.177  ?   ?  0.000000 33.17700 
1 1 1   -3   17   33 o  195.166   15.693   51.354   7.8664   62.631   11.046   39.751   11.205  212.964   20.269  165.242   27.120 47.72169 33.85708 
1 1 1   -3   17   34 o  307.021   13.189  125.542   10.489  124.041   15.280  126.880   14.424  299.519   19.806  304.263   18.388 -4.743164 27.02571 
1 1 1   -3   17   35 o   75.905   27.214   7.8961   6.7966   9.4502   8.8162   5.6193   10.671   82.747   30.782   77.484   32.215 5.262817 44.55715 
1 1 1   -3   17   36 o   83.632   28.828   10.416   7.5735   16.576   10.807   4.4715   10.617  100.768   34.448   74.542   31.631 26.22632 46.76722 
1 1 1   -3   17   37 o   84.167   29.359   10.767   7.8660   17.412   11.323   4.5692   10.936  101.565   35.235   74.636   31.898 26.92898 47.52891 
1 1 1   -3   17   38 o   85.070   27.230   11.300   6.7857   6.6927   8.7343   18.316   10.777   73.922   29.745  102.859   34.405 -28.93710 45.48010 
1 1 1   -3   17   39 f   89.024   28.960   12.957   7.6540   15.860   12.612   11.265   9.6301   94.645   36.449   84.260   31.994 10.38553 48.49907 
1 1 1   -3   17   40 f  117.465   27.310   22.540   8.1521   23.358   12.577   21.946   10.706  108.697   37.162  108.821   34.128 -0.1234360 50.45533 
1 1 1   -3   17   41 o   48.815   23.756 -11.1090   9.6041   0.3434   11.543 -36.8800   17.315   65.388   29.998   53.044   26.763 12.34341 40.20098 
1 1 1   -3   17   42 o   67.867   29.687   4.9101   9.9203   18.586   12.778 -15.8400   15.740   93.045   36.448   58.848   28.998 34.19735 46.57624 
1 1 1   -3   17   43 o   78.104   30.809   11.154   9.1877   10.098   13.272   12.127   12.732   77.101   34.012   79.895   34.289 -2.793419 48.29600 
1 1 1   -3   17   44 o  106.934   31.104   22.485   9.1337   26.046   12.624   18.574   13.231  104.062   37.113   88.079   36.173 15.98330 51.82510 
1 1 1   -3   17   45 o  104.085   30.991   22.128   8.9779   44.992   13.129   2.0436   12.305  144.193   35.409   63.401   29.724 80.79248 46.23069 
1 1 1   -3   17   46 o   49.309   23.030  -1.2978   7.2693  -2.6390   10.239   0.0651   10.322   54.079   25.862   56.983   26.873 -2.903591 37.29629 
1 1 1   -3   18    1 o  443.217   12.578  254.960   14.440  236.696   17.239  297.900   26.434  426.805   15.593  478.140   21.343 -51.33481 26.43243 
1 1 1   -3   18    2 o  688.177   12.832  614.711   22.873  627.185   28.361  591.500   38.688  694.737   15.760  673.598   22.173 21.13995 27.20345 
1 1 1   -3   18    3 o  101.826   28.004   13.988   7.6168   14.064   11.383   13.927   10.250  106.135   35.355  104.194   33.478 1.941360 48.69028 
1 1 1   -3   18    4 o  150.324   21.839   30.053   8.2551   33.272   12.574   27.616   10.944  156.452   32.105  142.495   30.566 13.95709 44.32798 
1 1 1   -3   18    5 o  411.586   11.639  219.789   12.408  211.861   18.195  226.681   16.965  403.656   17.402  417.690   15.681 -14.03354 23.42435 
1 1 1   -3   18    6 o  451.203   11.918  264.158   13.929  258.431   20.359  269.199   19.099  445.798   17.631  455.133   16.200 -9.335175 23.94360 
1 1 1   -3   18    7 o  1023.59   14.910  1360.87   39.532  1300.00   67.711  1392.35   48.693  997.454   26.207  1034.64   18.169 -37.18628 31.88894 
1 1 1   -3   18    8 o  557.556   14.180  403.672   20.480  427.900   38.521  394.126   24.180  572.290   25.986  550.616   16.953 21.67377 31.02708 
1 1 1   -3   18    9 o  620.889   16.495  501.075   26.529   0.0000   0.0000  501.075   26.529  ?   ?   620.889   16.495 0.000000 16.49537 
1 1 1   -3   18   10 o  331.675   14.982  142.910   12.871  150.024   18.850  136.696   17.618  338.602   21.605  323.218   21.160 15.38406 30.24087 
1 1 1   -3   18   11 o  419.268   12.501  228.171   13.576  241.363   20.043  216.988   18.454  430.714   17.965  408.439   17.443 22.27451 25.03961 
1 1 1   -3   18   12 o  316.735   13.660  130.291   11.207  109.626   17.368  145.036   14.671  288.835   23.415  333.491   17.040 -44.65582 28.95923 
1 1 1   -3   18   13 o  795.919   13.860  822.946   28.575  755.000   50.429  855.080   34.680  759.585   25.630  810.797   16.513 -51.21167 30.48885 
1 1 1   -3   18   14 o  483.275   11.454  303.156   14.339  289.800   33.617  306.126   15.853  469.206   27.783  485.524   12.605 -16.31848 30.50872 
1 1 1   -3   18   15 o  314.995   12.625  128.877   10.301  106.300   27.028  132.714   11.142  280.453   38.198  319.587   13.459 -39.13477 40.50036 
1 1 1   -3   18   16 o  414.010   12.306  222.648   13.197  147.700   32.345  237.616   14.454  330.951   38.446  427.622   13.049 -96.67136 40.60069 
1 1 1   -3   18   17 o   61.159   26.820  -1.8789   8.1427   29.710   20.767  -7.6176   8.8515  148.839   47.635   55.427   25.727 93.41284 54.13848 
1 1 1   -3   18   18 o  301.282   15.345  118.503   11.936   0.0000   0.0000  118.503   11.936  ?   ?   301.282   15.345 0.000000 15.34499 
1 1 1   -3   18   19 o  365.139   31.079  178.100   29.116   0.0000   0.0000  178.100   29.116  ?   ?   365.139   31.079 0.000000 31.07926 
1 1 1   -3   18   20 o  103.208   39.444   10.466   14.697   0.4569   20.164   21.810   21.465  100.406   43.123  134.064   48.331 -33.65906 64.77255 
1 1 1   -3   18   21 o  401.175   12.627  209.502   13.122  167.300   28.770  220.586   14.744  352.457   31.857  411.442   13.835 -58.98456 34.73155 
1 1 1   -3   18   22 o  340.568   13.170  151.172   11.619   92.690   29.728  161.715   12.623  254.351   46.847  352.129   13.839 -97.77881 48.84856 
1 1 1   -3   18   23 o  340.202   13.778  151.103   12.142  107.800   30.542  159.231   13.232  274.603   44.458  349.054   14.635 -74.45074 46.80476 
1 1 1   -3   18   24 o   75.272   30.623   3.5603   9.3708   4.4460   26.018   3.4283   10.045  114.249   49.024   77.033   31.564 37.21606 58.30619 
1 1 1   -3   18   25 o   40.292   18.958  -5.3112   5.0830  -7.6559   7.2357  -3.0267   7.1421   47.723   22.504   54.169   24.352 -6.445385 33.15783 
1 1 1   -3   18   26 o  122.923   22.655   20.838   6.9476   29.386   9.8661   12.430   9.7852  144.892   27.289   96.650   32.780 48.24222 42.65242 
1 1 1   -3   18   27 o   94.338   27.630   12.507   7.1849   12.730   10.300   12.295   10.028   97.508   33.618   96.065   33.169 1.442795 47.22622 
1 1 1   -3   18   28 o  239.772   14.747   76.170   9.1148   77.558   13.379   74.968   12.451  238.802   21.872  235.368   20.631 3.433670 30.06727 
1 1 1   -3   18   29 o  215.244   14.550   61.521   8.0644   57.775   11.335   65.362   11.476  205.538   21.613  219.330   20.436 -13.79134 29.74463 
1 1 1   -3   18   30 o   51.836   23.371  -2.6278   6.6353 -12.9517   10.165   5.0381   8.7589   52.964   25.445   74.665   29.877 -21.70062 39.24395 
1 1 1   -3   18   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   18   32 o   85.774   27.763   10.574   7.0394   6.3593   9.5402   15.612   10.430   78.241   31.225  101.665   33.841 -23.42442 46.04625 
1 1 1   -3   18   33 o   89.393   28.513   11.856   7.4455   17.701   10.469   5.8745   10.591  106.086   33.808   78.613   32.333 27.47294 46.78091 
1 1 1   -3   18   34 o   69.589   27.055   5.5576   6.9999   3.4220   9.4148   8.1974   10.467   70.604   29.864   82.116   32.728 -11.51211 44.30496 
1 1 1   -3   18   35 o   51.178   23.571  -3.6543   7.2213  -0.4357   10.412  -6.6374   10.024   66.190   29.604   57.093   26.786 9.097553 39.92367 
1 1 1   -3   18   36 o  153.487   21.201   33.995   8.2042   46.478   12.106   23.394   11.157  173.912   27.811  117.105   34.467 56.80777 44.28816 
1 1 1   -3   18   37 o   82.620   28.170   10.565   7.2266   13.171   10.445   8.1724   10.008   90.244   33.518   78.898   31.808 11.34579 46.20856 
1 1 1   -3   18   38 o  104.555   28.092   17.803   7.7705   17.831   12.604   17.787   9.8693   98.784   36.794  100.940   32.887 -2.156036 49.34935 
1 1 1   -3   18   39 o   39.051   19.258 -12.4991   6.9858 -21.8785   9.7621  -2.6547   10.001   42.289   21.164   59.448   27.506 -17.15915 34.70616 
1 1 1   -3   18   40 o   52.533   24.563  -3.7592   8.3071  -9.1318   11.730   1.6468   11.766   56.240   27.098   67.472   30.699 -11.23218 40.94805 
1 1 1   -3   18   41 o   55.483   27.517 -19.4900   15.008   0.0000   0.0000 -19.4900   15.008  ?   ?    55.483   27.517 0.000000 27.51728 
1 1 1   -3   18   42 o   43.997   21.299  -7.9017   7.4578  -9.1928   10.890  -6.7614   10.234   52.588   25.523   53.128   25.525 -0.5401688 36.09683 
1 1 1   -3   18   43 o   39.228   19.457 -13.1149   7.5081 -14.7339   9.5682 -10.5208   12.112   44.442   22.029   53.551   26.194 -9.109241 34.22535 
1 1 1   -3   18   44 o   47.375   22.856  -6.4427   8.4085  -6.1956   12.736  -6.6336   11.195   56.893   27.610   53.742   26.035 3.150341 37.94941 
1 1 1   -3   18   45 o   46.403   22.622  -7.8130   8.8198 -29.1185   12.681   12.152   12.275   43.371   21.997   73.608   32.578 -30.23650 39.30886 
1 1 1   -3   19    1 o   85.329   31.619   7.4457   9.2841   5.7335   13.536   8.9666   12.758   92.841   37.145   97.147   36.840 -4.306503 52.31556 
1 1 1   -3   19    2 o  835.442   17.172  907.544   37.161  907.544   37.161   0.0000   0.0000  835.442   17.172  ?   ?  0.000000 17.17210 
1 1 1   -3   19    3 o  428.396   12.645  238.202   14.032  232.492   19.647  244.148   20.049  422.772   17.940  433.248   17.865 -10.47620 25.31825 
1 1 1   -3   19    4 o  423.506   13.246  232.846   14.531  232.306   21.646  233.288   19.604  422.400   19.784  423.498   17.871 -1.097321 26.65991 
1 1 1   -3   19    5 o  757.982   12.195  745.621   23.943  785.453   34.775  709.718   33.015  777.174   17.274  738.760   17.253 38.41443 24.41427 
1 1 1   -3   19    6 f  741.829   17.213  715.651   33.076  715.651   33.076   0.0000   0.0000  741.829   17.213  ?   ?  0.000000 17.21326 
1 1 1   -3   19    7 o  789.711   12.131  809.388   24.815  810.102   35.863  808.732   34.371  789.167   17.544  788.637   16.825 0.5306396 24.30813 
1 1 1   -3   19    8 o  321.790   18.118  135.172   15.040  154.500   29.472  128.366   17.489  340.976   33.814  313.017   21.704 27.95914 40.18043 
1 1 1   -3   19    9 o  206.917   24.681   56.731   12.968   36.840   25.638   63.569   15.032  166.096   52.904  218.722   27.114 -52.62556 59.44699 
1 1 1   -3   19   10 o  491.936   18.174  315.060   23.159  315.060   23.159   0.0000   0.0000  491.936   18.174  ?   ?  0.000000 18.17431 
1 1 1   -3   19   11 o  723.960   11.732  680.359   22.001  688.099   32.042  673.455   30.262  727.155   17.011  719.529   16.237 7.626648 23.51639 
1 1 1   -3   19   12 f  294.475   15.021  113.043   11.419  110.173   17.112  115.347   15.333  289.435   23.015  296.723   20.067 -7.287781 30.53474 
1 1 1   -3   19   13 o  600.037   11.651  467.487   18.109  466.527   26.523  468.326   24.784  598.551   17.107  599.916   15.949 -1.365112 23.38829 
1 1 1   -3   19   14 o  668.110   11.295  579.580   19.547  632.500   46.405  568.165   21.553  694.262   25.804  661.297   12.582 32.96454 28.70824 
1 1 1   -3   19   15 o  392.770   12.519  200.468   12.737  216.300   31.437  197.358   13.931  403.671   30.286  389.572   13.805 14.09909 33.28366 
1 1 1   -3   19   16 o  382.324   12.899  190.040   12.774  169.100   32.194  193.953   13.917  354.600   35.528  386.120   13.914 -31.51913 38.15523 
1 1 1   -3   19   17 o  266.492   19.044   93.276   13.059   0.0000   0.0000   93.276   13.059  ?   ?   266.492   19.044 0.000000 19.04411 
1 1 1   -3   19   18 f  306.917   26.727  125.280   21.036   94.910   32.076  148.200   27.865  258.431   49.721  331.902   32.842 -73.47061 59.58885 
1 1 1   -3   19   19 o  341.512   15.332  152.138   13.563  129.100   28.488  158.891   15.423  307.661   36.457  348.711   17.075 -41.04950 40.25705 
1 1 1   -3   19   20 o  135.110   26.010   24.957   8.7725   8.8880   25.256   27.162   9.3550  120.284   49.748  140.949   26.598 -20.66499 56.41188 
1 1 1   -3   19   21 o  301.202   14.721  118.493   11.485   81.810   30.028  124.779   12.430  236.161   50.609  308.546   15.604 -72.38448 52.95981 
1 1 1   -3   19   22 o  171.632   23.013   39.703   9.9732   49.920   29.196   38.353   10.612  181.686   56.259  168.012   25.157 13.67340 61.62791 
1 1 1   -3   19   23 o  179.753   19.022   43.095   8.7222  -4.5620   28.823   47.899   9.1513  110.132   49.257  189.645   18.880 -79.51331 52.75134 
1 1 1   -3   19   24 o  264.207   16.637   92.307   11.328   9.3380   29.073  107.157   12.300  122.355   52.144  284.699   16.752 -162.3447 54.76862 
1 1 1   -3   19   25 f  113.540   29.596   18.388   8.7933   8.5330   27.967   19.470   9.2631  118.361   50.809  116.649   30.362 1.711342 59.18943 
1 1 1   -3   19   26 o  170.928   22.121   39.929   9.5645   15.500   28.948   42.923   10.134  125.246   52.637  177.112   22.604 -51.86584 57.28502 
1 1 1   -3   19   27 o   88.121   24.744   10.943   5.8801   12.327   8.6373   9.7478   8.0276   94.141   30.771   85.932   29.676 8.208817 42.74956 
1 1 1   -3   19   28 o   91.731   28.108   11.942   7.3098   9.2553   10.837   14.184   9.9017   88.836   33.889   99.828   32.962 -10.99205 47.27519 
1 1 1   -3   19   29 o  101.199   27.773   14.911   7.5010   13.068   11.159   16.430   10.131   97.387   34.875  105.438   33.222 -8.051483 48.16608 
1 1 1   -3   19   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   19   31 o   83.707   27.946   9.9407   7.1105   13.598   10.859   7.1956   9.4080   96.641   34.425   79.731   31.263 16.91001 46.50200 
1 1 1   -3   19   32 o   61.024   25.181   2.6220   6.4494   8.4170   9.3951  -2.5425   8.8692   81.708   31.461   59.499   26.906 22.20836 41.39727 
1 1 1   -3   19   33 f  110.838   25.550   18.416   7.1850   20.211   10.831   17.005   9.6023  111.232   34.236  103.340   32.308 7.892189 47.07334 
1 1 1   -3   19   34 o   49.575   22.765  -3.2435   6.6686  -1.1988   9.6625  -5.1032   9.2150   62.918   28.301   56.246   26.155 6.672417 38.53583 
1 1 1   -3   19   35 o   51.358   23.255  -1.9475   6.6513  -2.8163   10.397  -1.3455   8.6539   62.250   28.526   59.231   26.699 3.019070 39.07172 
1 1 1   -3   19   36 o   70.938   26.730   6.8328   6.6899   14.521   10.734   1.9503   8.5544   93.283   34.093   63.927   27.772 29.35603 43.97296 
1 1 1   -3   19   37 o   84.051   28.194   11.312   7.2377   5.2563   11.916   14.852   9.1107   75.332   32.752   93.499   31.631 -18.16734 45.53254 
1 1 1   -3   19   38 o  163.096   19.757   38.894   8.1762   42.549   11.382   34.998   11.752  161.858   28.172  141.198   32.765 20.65965 43.21119 
1 1 1   -3   19   39 o   85.710   30.851   12.987   8.7426   7.3691   12.899   17.761   11.890   76.592   33.668   94.661   35.642 -18.06821 49.02998 
1 1 1   -3   19   40 o   63.063   31.204 -17.3600   18.892   0.0000   0.0000 -17.3600   18.892  ?   ?    63.063   31.204 0.000000 31.20448 
1 1 1   -3   19   41 o   44.060   21.293  -7.5412   7.3767  -7.0607   9.6925  -8.2028   11.372   51.438   24.746   54.458   26.347 -3.019485 36.14615 
1 1 1   -3   19   42 o   77.492   29.711   11.378   8.3558  -0.6701   13.036   19.780   10.886   63.148   29.907   94.114   34.343 -30.96576 45.53993 
1 1 1   -3   19   43 o  101.005   30.765   20.741   8.7737   28.305   12.161   12.530   12.670  107.821   36.544   76.618   33.531 31.20303 49.59668 
1 1 1   -3   19   44 o   87.533   30.613   16.662   8.5551   24.073   12.302   9.7213   11.906   94.283   36.074   70.487   31.582 23.79613 47.94525 
1 1 1   -3   19   45 o   45.644   22.235  -6.7284   8.4764 -12.6356   12.357  -1.4786   11.649   49.484   24.614   56.140   27.038 -6.655903 36.56360 
1 1 1   -3   20    1 o  264.349   16.439   91.216   11.201   85.584   15.997   96.633   15.689  254.775   24.544  271.214   22.536 -16.43881 33.32064 
1 1 1   -3   20    2 o  173.232   23.618   39.896   10.322   34.643   15.099   44.504   14.142  158.804   37.335  181.596   31.189 -22.79292 48.64817 
1 1 1   -3   20    3 o  313.025   14.867  127.329   12.055  119.002   17.161  135.441   16.937  301.209   22.150  321.731   20.429 -20.52130 30.13260 
1 1 1   -3   20    4 o  453.270   12.275  266.711   14.413  262.178   21.427  270.456   19.477  448.752   18.434  456.018   16.489 -7.266541 24.73235 
1 1 1   -3   20    5 o  634.270   11.513  522.121   18.916  553.713   27.825  494.974   25.793  652.471   16.463  616.944   16.140 35.52661 23.05538 
1 1 1   -3   20    6 o  709.174   11.540  652.760   21.199  659.823   30.064  645.777   29.896  712.244   16.296  704.607   16.380 7.637146 23.10535 
1 1 1   -3   20    7 o  274.073   15.747   98.005   11.132   65.610   15.884  129.277   15.606  221.891   28.278  314.392   19.256 -92.50124 34.21201 
1 1 1   -3   20    8 o  209.252   19.456   57.561   10.425   47.452   16.204   64.700   13.617  186.637   34.798  221.126   24.167 -34.48805 42.36629 
1 1 1   -3   20    9 o   62.686   28.466  -5.8629   10.054 -12.0600   19.698  -3.6801   11.691   86.561   39.515   71.735   31.769 14.82680 50.70201 
1 1 1   -3   20   10 o  249.997   17.585   81.808   11.315   79.470   23.470   82.516   12.915  241.554   38.825  250.686   20.057 -9.131622 43.70026 
1 1 1   -3   20   11 o  164.900   22.776   36.228   9.4690   42.314   15.708   32.754   11.868  175.549   35.758  155.012   30.643 20.53700 47.09142 
1 1 1   -3   20   12 o  341.586   14.401  151.771   12.742  157.865   20.050  147.643   16.503  346.611   22.452  335.841   19.049 10.76965 29.44440 
1 1 1   -3   20   13 o  389.183   13.847  197.001   13.959  185.725   21.442  205.296   18.390  376.023   22.111  396.731   17.896 -20.70779 28.44541 
1 1 1   -3   20   14 f  220.074   21.973   64.052   12.358   81.270   24.172   57.959   14.380  243.187   39.745  208.019   27.350 35.16821 48.24642 
1 1 1   -3   20   15 o  212.752   20.087   59.737   10.939   0.0000   0.0000   59.737   10.939  ?   ?   212.752   20.087 0.000000 20.08686 
1 1 1   -3   20   16 o  361.889   16.610  170.916   15.570   0.0000   0.0000  170.916   15.570  ?   ?   361.889   16.610 0.000000 16.61003 
1 1 1   -3   20   17 o  284.554   27.215  108.128   19.815  105.000   30.952  110.300   25.793  273.397   45.292  284.388   35.808 -10.98996 57.73697 
1 1 1   -3   20   18 o  463.646   13.252  280.054   15.916  241.800   30.982  293.769   18.551  425.561   28.267  474.450   15.094 -48.88925 32.04484 
1 1 1   -3   20   19 o  298.066   14.514  115.976   11.206  116.400   30.820  115.911   12.030  287.666   42.654  297.389   15.672 -9.722870 45.44182 
1 1 1   -3   20   20 o  184.229   21.945   45.449   10.266   57.880   29.214   43.697   10.966  195.674   55.227  179.988   24.128 15.68613 60.26779 
1 1 1   -3   20   21 o  207.824   17.925   57.217   9.5550   74.530   29.738   55.224   10.090  221.601   52.596  203.769   19.348 17.83266 56.04229 
1 1 1   -3   20   22 o  362.098   13.918  171.692   13.054   96.800   29.970  189.228   14.502  254.985   47.111  379.889   14.738 -124.9036 49.36287 
1 1 1   -3   20   23 o  269.779   15.930   96.163   11.083   58.750   27.772  103.249   12.087  191.697   53.756  279.276   16.786 -87.57964 56.31568 
1 1 1   -3   20   24 o  220.499   16.558   64.624   9.3884   38.000   22.205   70.419   10.360  155.483   49.203  229.876   17.531 -74.39322 52.23286 
1 1 1   -3   20   25 o   62.783   27.571  -1.1376   8.6312   18.400   26.099  -3.5369   9.1459  124.940   50.999   60.834   27.433 64.10609 57.90866 
1 1 1   -3   20   26 o   71.126   29.464   3.0091   8.8798   7.1190   26.398   2.4847   9.4293  111.225   48.545   71.717   30.086 39.50822 57.11223 
1 1 1   -3   20   27 o  133.774   25.392   25.425   8.4770   35.480   26.244   24.254   8.9571  144.848   53.253  129.663   27.520 15.18495 59.94333 
1 1 1   -3   20   28 o  142.737   26.904   29.352   9.5825   23.750   26.739   30.178   10.264  126.806   51.674  143.921   28.541 -17.11476 59.03245 
1 1 1   -3   20   29 f  219.069   23.968   67.470   13.379   67.470   13.379   0.0000   0.0000  219.069   23.968  ?   ?  0.000000 23.96801 
1 1 1   -3   20   30 o  151.206   22.293   32.319   8.4694   30.870   18.577   32.699   9.5159  132.674   45.166  150.360   25.333 -17.68655 51.78579 
1 1 1   -3   20   31 o   84.990   26.433   10.636   6.4370   13.737   8.6020   6.6903   9.7040   94.994   30.684   78.254   31.400 16.74028 43.90352 
1 1 1   -3   20   32 o  153.678   20.519   33.476   7.9642   41.181   12.172   27.708   10.531  163.484   29.843  132.359   31.223 31.12527 43.19093 
1 1 1   -3   20   33 o  120.738   23.609   21.620   7.1190   14.269   10.376   28.159   9.7856   94.494   33.652  134.176   29.001 -39.68204 44.42432 
1 1 1   -3   20   34 o   75.289   26.744   8.2143   6.5492   4.0700   10.992   10.495   8.1547   73.468   31.698   83.112   29.808 -9.643669 43.51215 
1 1 1   -3   20   35 o   65.191   26.040   4.8021   6.6402   0.4666   10.708   7.5105   8.4639   66.713   29.917   75.079   29.585 -8.366470 42.07475 
1 1 1   -3   20   36 o   92.106   28.571   13.951   7.5264   33.150   12.107   1.8581   9.6087  137.039   34.212   65.529   28.921 71.50990 44.79884 
1 1 1   -3   20   37 o   53.206   24.228  -1.5668   7.3476  -0.1158   10.514  -2.9520   10.272   63.835   29.035   59.677   27.705 4.157284 40.13249 
1 1 1   -3   20   38 o   50.228   23.731  -5.1158   8.1168   0.6197   12.051  -9.8787   10.981   66.635   30.600   53.689   25.955 12.94530 40.12531 
1 1 1   -3   20   39 o   84.739   33.095   13.758   10.511   4.5630   12.406   37.150   19.787   70.506   31.858  112.433   44.936 -41.92624 55.08321 
1 1 1   -3   20   40 o   69.897   32.025   4.7177   13.095   2.8690   23.183   5.5840   15.870   75.855   36.914   73.213   34.138 2.642487 50.27907 
1 1 1   -3   20   41 o  111.050   29.797   23.448   8.7495   38.819   13.376   11.951   11.568  130.727   37.530   77.432   32.942 53.29497 49.93700 
1 1 1   -3   20   42 o   87.402   30.068   15.623   8.2371   22.098   11.229   8.0816   12.119   96.048   34.906   70.256   31.640 25.79185 47.11174 
1 1 1   -3   20   43 o  105.167   31.648   23.849   9.3259   20.186   13.659   27.048   12.764   84.383   35.845   98.914   36.991 -14.53163 51.50920 
1 1 1   -3   20   44 o   71.901   29.524   11.452   8.8118   2.1019   13.077   19.229   11.926   60.803   29.117   82.267   34.118 -21.46368 44.85386 
1 1 1   -3   21    1 o  593.220   11.314  456.810   17.386  460.992   25.102  452.954   24.103  595.209   16.281  590.082   15.769 5.126831 22.66577 
1 1 1   -3   21    2 o  432.676   12.476  243.137   13.982  236.432   20.350  249.132   19.244  425.970   18.443  437.462   16.982 -11.49237 25.07086 
1 1 1   -3   21    3 o  835.516   17.255  908.987   37.343  908.987   37.343   0.0000   0.0000  835.516   17.255  ?   ?  0.000000 17.25465 
1 1 1   -3   21    4 o  781.930   11.717  793.869   23.733  775.803   33.395  812.304   33.734  771.982   16.700  789.985   16.485 -18.00342 23.46631 
1 1 1   -3   21    5 o  153.724   26.215   31.833   10.064   37.429   14.569   26.726   13.918  165.108   35.144  139.452   37.651 25.65573 51.50430 
1 1 1   -3   21    6 o  217.454   18.996   62.128   10.592   52.610   15.691   70.095   14.357  197.296   31.783  230.067   24.466 -32.77057 40.10979 
1 1 1   -3   21    7 o  254.471   16.782   84.698   11.000   77.626   16.404   90.477   14.828  241.719   26.641  262.145   22.042 -20.42610 34.57730 
1 1 1   -3   21    8 o  262.256   16.888   89.966   11.411   81.649   16.749   97.171   15.589  247.949   26.488  271.624   22.355 -23.67500 34.66052 
1 1 1   -3   21    9 o  373.623   13.889  181.543   13.442  160.235   19.431  201.095   18.614  349.350   21.579  392.633   18.302 -43.28229 28.29478 
1 1 1   -3   21   10 o  249.789   22.247   82.333   14.244  102.700   28.689   75.670   16.409  273.509   41.824  238.305   27.063 35.20343 49.81619 
1 1 1   -3   21   11 o  228.779   24.521   69.504   14.305   88.310   29.492   63.718   16.358  251.088   47.074  217.638   29.799 33.45027 55.71334 
1 1 1   -3   21   12 o  117.947   35.132   18.857   11.536 -22.7620   17.409   51.433   15.402   70.585   33.747  194.533   31.655 -123.9486 46.26935 
1 1 1   -3   21   13 o  130.249   34.455   23.477   11.804   20.510   23.216   24.511   13.708  134.398   49.961  133.218   37.912 1.180023 62.71655 
1 1 1   -3   21   14 o  313.792   23.237  130.182   18.753  128.500   27.233  131.700   25.863  307.936   34.749  312.673   32.403 -4.737396 47.51293 
1 1 1   -3   21   15 o  330.350   17.259  143.027   14.718  154.400   27.279  138.357   17.480  338.791   31.443  323.996   20.940 14.79492 37.77750 
1 1 1   -3   21   16 o  279.664   17.511  102.738   12.621  102.500   30.651  102.786   13.850  269.019   45.616  279.321   19.260 -10.30173 49.51496 
1 1 1   -3   21   17 o  195.273   18.787   50.481   9.3853   51.510   22.685   50.269   10.309  188.378   46.719  194.387   20.796 -6.009766 51.13809 
1 1 1   -3   21   18 o  213.052   18.413   60.047   10.061   16.630   29.081   65.950   10.724  134.255   54.186  223.275   18.715 -89.02071 57.32704 
1 1 1   -3   21   19 o  123.665   27.247   21.247   8.4927 -42.1700   28.563   27.397   8.8949   85.070   41.299  141.388   25.212 -56.31818 48.38664 
1 1 1   -3   21   20 o  220.747   18.275   64.668   10.356   34.420   25.874   70.437   11.300  153.771   53.268  230.189   19.125 -76.41750 56.59760 
1 1 1   -3   21   21 f  106.872   30.003   16.095   8.6464   7.2180   23.153   17.534   9.3207  110.815   46.850  111.283   31.120 -0.4680557 56.24346 
1 1 1   -3   21   22 o  140.771   24.226   27.405   8.5153   6.8010   27.272   29.631   8.9634  115.588   49.900  146.400   24.503 -30.81167 55.59100 
1 1 1   -3   21   23 o   83.825   30.475   8.5387   8.5603   21.180   27.802   7.2147   8.9974  130.747   52.907   81.355   30.917 49.39170 61.27802 
1 1 1   -3   21   24 o   83.287   29.154   8.9786   7.7602 -29.4400   28.117   12.146   8.0738   87.218   42.006   93.168   29.689 -5.950050 51.43902 
1 1 1   -3   21   25 o  257.447   16.175   88.447   10.732   46.400   29.220   95.004   11.538  161.354   56.567  266.549   16.798 -105.1944 59.00868 
1 1 1   -3   21   26 o  147.027   25.988   30.799   9.5352   14.040   23.955   33.954   10.394  113.753   47.849  153.986   27.046 -40.23274 54.96346 
1 1 1   -3   21   27 o   49.602   23.560  -8.7857   8.2052 -32.7700   20.113  -3.9969   8.9870   67.182   33.042   58.729   26.764 8.452930 42.52146 
1 1 1   -3   21   28 o   93.820   42.845  -1.5200   23.186   0.0000   0.0000  -1.5200   23.186  ?   ?    93.820   42.845 0.000000 42.84484 
1 1 1   -3   21   29 o   58.914   26.428  -1.9400   8.3628 -14.0400   23.331  -0.1562   8.9581   83.077   39.538   63.804   28.052 19.27327 48.47815 
1 1 1   -3   21   30 o  106.371   30.903   17.699   9.0208   8.3120   24.688   19.145   9.6908  100.752   45.286  109.991   32.052 -9.238510 55.48111 
1 1 1   -3   21   31 o   65.126   27.424   2.8537   7.8824   0.2379   20.897   3.2877   8.5110   87.126   40.116   67.677   28.497 19.44984 49.20724 
1 1 1   -3   21   32 o   80.629   27.064   9.7476   6.6691   4.4996   10.366   13.454   8.7115   73.446   31.214   92.055   30.931 -18.60900 43.94376 
1 1 1   -3   21   33 o   54.520   23.973   0.1102   6.5438   10.577   11.438  -4.9824   7.9785   85.436   34.158   51.573   24.100 33.86292 41.80437 
1 1 1   -3   21   34 o   44.521   20.992  -5.1718   6.2927   3.4597   10.113 -10.6258   8.0386   69.742   30.247   45.207   21.938 24.53463 37.36496 
1 1 1   -3   21   35 o   97.488   28.897   15.831   7.8186   13.696   11.545   17.639   10.627   89.502   34.759   98.952   34.146 -9.449615 48.72511 
1 1 1   -3   21   36 o   63.680   27.014   3.7040   7.7396   3.0887   11.140   4.2780   10.760   69.284   30.831   70.418   30.857 -1.133942 43.62052 
1 1 1   -3   21   37 o   69.162   28.375   6.4145   8.1307   2.5331   11.613   10.146   11.387   68.069   30.784   79.391   33.166 -11.32164 45.25054 
1 1 1   -3   21   38 o   57.358   26.022   0.2650   8.3762  -0.9490   11.347   1.7189   12.417   62.102   28.926   66.878   30.840 -4.776169 42.28263 
1 1 1   -3   21   39 o   60.333   29.518  -9.9880   15.410   0.0000   0.0000  -9.9880   15.410  ?   ?    60.333   29.518 0.000000 29.51815 
1 1 1   -3   21   40 o   71.390   28.347   9.0318   7.8259   1.1096   10.108   20.885   12.364   60.135   27.764   92.533   35.962 -32.39803 45.43250 
1 1 1   -3   21   41 o   73.102   29.501   10.352   8.6187   9.3102   13.456   11.078   11.223   71.914   32.763   74.004   31.979 -2.090302 45.78297 
1 1 1   -3   21   42 o   59.364   26.793   3.5825   8.7461   6.7065   13.033   1.0228   11.797   67.015   31.143   60.161   28.480 6.854382 42.20224 
1 1 1   -3   21   43 o   60.244   26.191   5.6435   7.6199   10.914   10.865   0.5427   10.689   69.733   30.767   56.783   26.947 12.94962 40.89927 
1 1 1   -3   22    1 o  192.723   32.498   50.446   15.646   50.446   15.646   0.0000   0.0000  192.723   32.498  ?   ?  0.000000 32.49814 
1 1 1   -3   22    2 o  277.877   15.857  100.871   11.366   95.137   16.503  106.045   15.677  268.335   23.996  283.948   21.473 -15.61374 32.20098 
1 1 1   -3   22    3 o  252.457   17.165   83.453   11.159   72.788   16.550   92.342   15.109  233.514   27.915  264.686   22.243 -31.17171 35.69336 
1 1 1   -3   22    4 o  361.216   13.920  169.715   13.025  176.490   19.005  163.714   17.885  366.976   20.069  353.499   19.609 13.47739 28.05888 
1 1 1   -3   22    5 o  103.125   33.560   13.713   10.278   13.090   14.560   14.331   14.512  108.535   39.701  110.996   39.769 -2.461533 56.19348 
1 1 1   -3   22    6 o  241.602   18.893   76.682   11.730  100.887   16.850   53.925   16.338  276.301   23.775  199.141   32.817 77.16060 40.52388 
1 1 1   -3   22    7 o  259.640   18.013   88.404   12.039   70.989   16.926  106.237   17.128  230.087   29.047  283.583   23.530 -53.49585 37.38199 
1 1 1   -3   22    8 o  232.485   20.200   71.232   12.043   74.474   17.768   68.477   16.381  235.453   29.800  225.949   28.630 9.504013 41.32454 
1 1 1   -3   22    9 o  474.431   18.013  293.988   22.137   0.0000   0.0000  293.988   22.137  ?   ?   474.431   18.013 0.000000 18.01340 
1 1 1   -3   22   10 o  164.176   31.981   37.029   13.111   24.840   22.942   42.941   15.978  140.984   50.057  175.963   36.260 -34.97882 61.81045 
1 1 1   -3   22   11 o  185.172   44.511   48.690   21.086   0.0000   0.0000   48.690   21.086  ?   ?   185.172   44.511 0.000000 44.51093 
1 1 1   -3   22   12 o  216.377   30.634   63.503   16.690   56.520   25.637   68.640   21.987  197.738   50.017  221.988   39.695 -24.25044 63.85433 
1 1 1   -3   22   13 o  337.785   19.193  150.033   16.724  100.300   30.919  170.602   19.884  265.827   46.601  359.612   21.444 -93.78534 51.29851 
1 1 1   -3   22   14 o  268.347   26.133   96.358   17.935   73.540   26.630  115.300   24.262  226.069   47.008  291.260   32.725 -65.19055 57.27691 
1 1 1   -3   22   15 o  133.250   35.637   24.967   12.540   23.195   15.736   28.050   20.756  129.913   41.453  142.910   47.746 -12.99644 63.22993 
1 1 1   -3   22   16 f  135.705   24.926   25.197   8.4391   41.220   24.409   23.022   8.9937  167.514   51.370  128.902   27.757 38.61240 58.38899 
1 1 1   -3   22   17 o   88.780   31.391   9.5652   9.0131   18.700   28.811   8.5743   9.4894  135.300   54.171   87.169   32.026 48.13129 62.92948 
1 1 1   -3   22   18 o   93.833   30.743   11.673   8.6200 -35.3200   25.579   17.694   9.1555   81.777   39.553  112.213   30.638 -30.43600 50.03091 
1 1 1   -3   22   19 o  129.743   26.857   23.514   8.7285   13.300   25.347   24.889   9.2972  121.767   50.044  133.264   27.831 -11.49702 57.26243 
1 1 1   -3   22   20 o  156.109   23.296   33.386   9.1319   34.080   29.083   33.310   9.6183  151.068   55.966  155.415   24.720 -4.346664 61.18200 
1 1 1   -3   22   21 o  126.642   28.715   22.904   9.2026   4.8240   28.436   25.019   9.7260  114.223   50.105  132.312   29.164 -18.08910 57.97409 
1 1 1   -3   22   22 o   54.143   24.505  -3.3427   7.3766   0.0922   27.226  -3.6149   7.6633  106.723   47.792   54.896   24.899 51.82720 53.88953 
1 1 1   -3   22   23 o  174.457   22.437   41.955   9.9041   23.640   28.241   44.523   10.576  130.848   53.189  179.374   23.313 -48.52591 58.07383 
1 1 1   -3   22   24 o   99.021   30.767   14.200   8.7237 -15.7600   26.543   17.828   9.2368   91.206   43.038  109.876   31.069 -18.66970 53.08015 
1 1 1   -3   22   25 o  102.094   28.274   15.275   7.7333   14.800   25.256   15.325   8.1235  114.938   48.781  102.091   29.230 12.84716 56.86774 
1 1 1   -3   22   26 o  130.641   27.100   24.930   8.8698   1.1160   25.874   28.101   9.4419  100.639   45.688  138.832   27.229 -38.19257 53.18610 
1 1 1   -3   22   27 o   98.241   43.864   4.7270   22.752   0.0000   0.0000   4.7270   22.752  ?   ?    98.241   43.864 0.000000 43.86354 
1 1 1   -3   22   28 o   65.275   28.278   1.0644   8.8200   25.020   25.245  -2.2661   9.4131  120.482   49.776   61.731   27.834 58.75084 57.03007 
1 1 1   -3   22   29 o   82.790   29.651   9.7905   8.0664 -18.8900   22.746   13.916   8.6271   77.149   37.311   94.878   30.738 -17.72873 48.34162 
1 1 1   -3   22   30 o   70.002   27.652   5.6035   7.4114  -9.8980   16.994   9.2446   8.2360   71.453   33.929   80.695   29.805 -9.242508 45.16054 
1 1 1   -3   22   31 o  118.690   27.961   22.150   8.4550   29.980   24.044   21.045   9.0318  117.291   48.527  113.998   30.131 3.292595 57.12052 
1 1 1   -3   22   32 o   50.138   23.703  -6.4177   8.1205  -9.1900   23.884  -6.0554   8.6349   80.479   38.749   52.350   24.655 28.12893 45.92809 
1 1 1   -3   22   33 o  169.649   22.297   42.707   9.5610   24.400   19.542   48.467   10.963  106.917   43.942  178.810   24.298 -71.89246 50.21216 
1 1 1   -3   22   34 o   79.027   27.822   9.9002   7.0726   14.208   9.6455   4.8912   10.401   90.466   32.421   71.497   30.841 18.96906 44.74744 
1 1 1   -3   22   35 o   69.824   28.116   6.5644   7.8099   11.603   11.607   2.3967   10.557   83.386   34.021   66.917   29.878 16.46902 45.27815 
1 1 1   -3   22   36 o   60.644   26.311   2.7856   7.6584  -2.8442   10.496   9.1940   11.199   59.057   27.612   77.215   32.610 -18.15728 42.73009 
1 1 1   -3   22   37 o   43.414   21.326 -11.8093   8.2965 -22.3271   12.017  -2.2288   11.469   47.035   23.531   60.676   28.526 -13.64109 36.97875 
1 1 1   -3   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   22   39 o   62.103   27.441   4.2502   8.6741  -6.1757   11.889   16.115   12.683   55.731   26.958   82.737   34.810 -27.00614 44.02790 
1 1 1   -3   22   40 o  100.533   32.039   21.880   9.4024   23.176   13.973   20.808   12.711   90.331   37.144   88.603   35.801 1.728325 51.58925 
1 1 1   -3   22   41 o   88.252   29.280   16.358   7.8097   21.950   11.032   10.741   11.057   92.443   34.425   71.235   31.246 21.20862 46.49080 
1 1 1   -3   22   42 o   60.497   27.120   5.3647   8.7918 -13.9358   13.165   20.901   11.812   49.977   24.946   84.949   34.447 -34.97198 42.53063 
1 1 1   -3   22   43 o   49.235   23.423  -1.3343   8.1740   8.9730   12.856  -8.3288   10.590   64.328   30.230   47.694   23.556 16.63403 38.32365 
1 1 1   -3   23    1 o  330.239   14.466  142.023   12.374  170.211   18.809  120.510   16.431  360.034   20.250  302.561   21.098 57.47241 29.24368 
1 1 1   -3   23    2 o  400.799   13.741  209.092   14.266  224.153   21.393  197.032   19.144  413.842   19.956  388.181   19.039 25.66043 27.58141 
1 1 1   -3   23    3 o  160.991   28.766   35.279   11.556   61.539   18.084   17.157   15.023  212.302   34.034  117.327   40.592 94.97475 52.97235 
1 1 1   -3   23    4 o  224.387   27.848   67.536   15.838   0.0000   0.0000   67.536   15.838  ?   ?   224.387   27.848 0.000000 27.84760 
1 1 1   -3   23    5 o  104.858   35.140   13.998   11.243   36.803   17.941  -0.7505   14.428  161.622   42.345   84.067   36.293 77.55491 55.77042 
1 1 1   -3   23    6 o  277.169   20.476  101.223   14.596   90.920   27.008  105.475   17.348  255.607   42.269  282.088   23.969 -26.48135 48.59208 
1 1 1   -3   23    7 o  267.766   21.540   94.722   14.814  131.100   27.170   79.334   17.671  311.083   34.287  243.003   28.623 68.08006 44.66399 
1 1 1   -3   23    8 o  491.815   18.597  316.620   23.692  304.500   34.447  327.500   32.636  478.397   27.919  497.307   25.420 -18.91104 37.75804 
1 1 1   -3   23    9 o  321.207   19.896  135.833   16.472  125.941   21.562  149.700   25.528  306.998   27.403  333.997   29.821 -26.99893 40.49918 
1 1 1   -3   23   10 o  271.456   21.160   97.446   14.761   81.175   20.075  116.600   21.780  244.083   32.564  294.600   28.914 -50.51686 43.54799 
1 1 1   -3   23   11 o  128.001   34.529   22.884   11.712   55.350   22.837   11.298   13.643  195.908   45.820  102.192   38.237 93.71567 59.67889 
1 1 1   -3   23   12 o  146.882   43.562   30.636   17.764   8.2880   27.596   46.450   23.214  122.900   51.508  178.255   48.833 -55.35497 70.97717 
1 1 1   -3   23   13 o   99.789   41.631   4.8292   17.907  -5.4210   27.300   12.570   23.724  108.044   48.158  121.348   48.954 -13.30321 68.67104 
1 1 1   -3   23   14 o   67.025   31.187 -10.7480   13.136 -22.4400   24.792  -6.1843   15.489   88.660   41.762   79.257   35.724 9.403427 54.95704 
1 1 1   -3   23   15 o  189.730   24.290   48.693   11.663   50.743   19.495   47.550   14.555  187.025   41.342  184.883   31.524 2.141983 51.98940 
1 1 1   -3   23   16 o  116.551   38.695   18.600   13.639  -1.6470   27.280   25.347   15.748  109.676   48.552  132.947   41.344 -23.27012 63.77045 
1 1 1   -3   23   17 o  172.114   21.241   39.983   9.2688   20.800   23.002   43.701   10.127  128.978   49.333  179.713   22.229 -50.73499 54.11031 
1 1 1   -3   23   18 o  470.980   12.183  290.289   14.863  225.100   36.096  303.600   16.310  398.629   35.323  481.276   13.083 -82.64651 37.66801 
1 1 1   -3   23   19 f  155.620   24.529   33.528   9.5601 -18.1300   28.096   40.292   10.167   95.277   44.747  171.289   23.536 -76.01133 50.55914 
1 1 1   -3   23   20 o   59.583   26.388  -1.7525   8.0665   43.360   23.579  -7.7324   8.5845  162.403   50.603   52.944   24.823 109.4594 56.36313 
1 1 1   -3   23   21 o  189.443   20.504   48.895   9.9009   10.740   23.270   57.329   10.941  110.713   46.896  205.101   20.885 -94.38808 51.33590 
1 1 1   -3   23   22 o   85.188   28.707   9.9099   7.5039   17.690   24.518   9.1058   7.8822  119.249   49.139   83.292   29.366 35.95718 57.24482 
1 1 1   -3   23   23 o  139.591   27.290   28.173   9.5141   47.400   25.355   25.022   10.264  162.138   52.707  129.583   30.996 32.55449 61.14572 
1 1 1   -3   23   24 o  101.263   31.315   15.242   9.0491   14.590   23.833   15.352   9.7815  112.113   47.473  101.622   32.710 10.49142 57.65070 
1 1 1   -3   23   25 o   84.882   28.386   10.217   7.3363 -47.2000   24.321   15.964   7.6947   68.691   34.226  103.555   28.010 -34.86378 44.22625 
1 1 1   -3   23   26 f   77.342   37.504 -23.3600   23.370   0.0000   0.0000 -23.3600   23.370  ?   ?    77.342   37.504 0.000000 37.50352 
1 1 1   -3   23   27 o   46.531   22.587 -12.3493   8.5387 -28.1700   19.025  -8.3584   9.5552   65.210   32.084   54.237   25.663 10.97299 41.08524 
1 1 1   -3   23   28 o  132.973   25.828   26.481   8.5756   14.500   23.157   28.385   9.2320  103.417   45.294  136.969   26.981 -33.55186 52.72087 
1 1 1   -3   23   29 o   74.311   28.398   7.2694   7.6175   9.0030   24.470   7.0834   8.0158   96.763   44.122   74.465   28.951 22.29799 52.77205 
1 1 1   -3   23   30 f   82.914   30.176   10.485   8.3966   9.4930   24.231   10.620   8.9512   94.821   43.488   83.585   31.032 11.23628 53.42438 
1 1 1   -3   23   31 o   46.462   22.284  -8.2255   7.7249   7.8790   21.890 -10.5165   8.2561   89.840   41.251   46.075   22.330 43.76448 46.90709 
1 1 1   -3   23   32 o   95.643   28.353   15.103   7.5268  -5.2310   20.746   18.186   8.0772   77.078   36.847  104.632   28.864 -27.55412 46.80642 
1 1 1   -3   23   33 o   65.625   27.556   4.3803   7.9227  -0.0182   21.661   5.0596   8.5126   80.226   38.156   68.131   28.584 12.09461 47.67526 
1 1 1   -3   23   34 o   44.815   21.469  -6.8965   7.1244   20.020   20.185 -10.7267   7.6145   94.885   41.896   42.705   20.863 52.18034 46.80324 
1 1 1   -3   23   35 o   59.775   27.279   0.0182   9.3795   23.180   20.647  -6.0049   10.529   94.968   42.130   55.504   26.455 39.46451 49.74752 
1 1 1   -3   23   36 o   54.697   25.954  -4.4432   9.9096 -28.5800   22.203   1.5607   11.074   61.617   30.987   63.884   29.336 -2.267296 42.67046 
1 1 1   -3   23   37 f   52.257   26.557 -41.0200   19.141   0.0000   0.0000 -41.0200   19.141  ?   ?    52.257   26.557 0.000000 26.55702 
1 1 1   -3   23   38 f   42.923   21.320 -14.3881   9.1420 -17.5228   13.017 -11.3369   12.842   50.128   24.986   53.421   26.299 -3.293434 36.27604 
1 1 1   -3   23   39 o   72.910   29.873   10.808   8.9973   20.904   12.499  -0.0500   12.962   88.168   35.546   61.015   29.156 27.15301 45.97376 
1 1 1   -3   23   40 o   45.788   22.368  -7.8454   8.7493   5.9709   12.800 -19.9601   11.986   65.160   30.474   45.477   22.856 19.68306 38.09312 
1 1 1   -3   23   41 o   50.650   23.873  -0.8453   8.1245  -3.1672   13.135   0.5933   10.340   56.108   27.409   55.846   26.503 0.2619934 38.12651 
1 1 1   -3   23   42 o   43.037   21.012  -6.1766   7.6882   4.1107   10.594 -17.6207   11.174   58.126   27.355   43.320   21.811 14.80667 34.98608 
1 1 1   -3   24    1 o  228.732   28.541   70.548   16.542   55.990   23.852   84.040   22.962  197.180   47.306  246.885   37.049 -49.70473 60.08736 
1 1 1   -3   24    2 o  456.105   18.544  272.496   21.909  207.300   30.674  340.400   31.304  393.062   30.362  507.935   23.793 -114.8725 38.57433 
1 1 1   -3   24    3 o  175.227   36.735   42.955   16.141   21.540   24.810   58.670   21.253  136.860   51.495  203.758   41.673 -66.89804 66.24469 
1 1 1   -3   24    4 o  218.824   26.185   64.299   14.547   54.486   19.470   76.700   21.888  196.839   39.559  235.434   37.120 -38.59494 54.24782 
1 1 1   -3   24    5 o  296.007   20.388  115.646   15.537   85.572   20.259  158.600   24.211  250.839   31.901  344.470   27.359 -93.63060 42.02626 
1 1 1   -3   24    6 o  329.944   15.317  142.183   13.090  142.852   20.655  141.734   16.923  327.733   24.508  327.869   20.022 -0.1354065 31.64715 
1 1 1   -3   24    7 o  226.742   19.998   68.078   11.625   68.650   17.336   67.610   15.670  224.499   30.610  223.775   27.619 0.7234344 41.22858 
1 1 1   -3   24    8 o  432.248   15.794  244.334   17.684  231.200   31.802  250.212   21.277  414.431   29.824  436.538   18.816 -22.10623 35.26363 
1 1 1   -3   24    9 o  293.548   26.981  115.795   20.286  109.100   30.674  121.000   27.044  276.734   44.285  296.095   36.002 -19.36105 57.07286 
1 1 1   -3   24   10 o  231.084   25.916   71.976   15.245   74.187   19.034   68.020   25.462  232.128   32.551  215.666   46.914 16.46185 57.10088 
1 1 1   -3   24   11 o  205.289   23.534   56.648   12.288   62.843   17.835   51.049   16.955  212.659   33.485  190.381   35.692 22.27821 48.94036 
1 1 1   -3   24   12 f   88.887   34.402   7.6323   11.279   28.362   18.398  -4.8489   14.276  140.798   44.812   77.085   34.557 63.71328 56.58906 
1 1 1   -3   24   13 o  135.951   32.195   26.208   11.162   28.711   17.238   24.400   14.649  140.715   43.172  130.644   39.743 10.07079 58.67985 
1 1 1   -3   24   14 o  111.995   38.925   16.653   13.822   8.0820   27.560   19.533   15.976  119.276   50.799  120.182   41.845 -0.9051514 65.81393 
1 1 1   -3   24   15 o  284.835   20.269  108.415   14.857   81.940   24.805  123.227   18.554  235.656   42.185  301.983   23.915 -66.32672 48.49240 
1 1 1   -3   24   16 o  397.433   13.862  207.455   14.270  199.757   21.256  213.771   19.254  385.799   21.354  401.254   18.525 -15.45410 28.26937 
1 1 1   -3   24   17 o  342.306   13.609  154.047   12.067  114.600   31.096  161.040   13.093  273.368   45.515  349.656   14.456 -76.28851 47.75572 
1 1 1   -3   24   18 o  235.196   16.727   73.798   10.124   56.090   24.549   77.427   11.113  184.556   50.076  240.399   17.976 -55.84308 53.20521 
1 1 1   -3   24   19 o  101.086   29.524   14.765   8.2143 -26.1400   27.824   18.670   8.5975   87.870   42.183  113.256   29.138 -25.38592 51.26821 
1 1 1   -3   24   20 o   97.240   31.039   13.601   8.8217 -10.3700   28.286   16.184   9.2848   97.699   45.562  104.931   31.579 -7.231430 55.43554 
1 1 1   -3   24   21 f   52.941   24.697  -6.4880   8.3220 -31.1000   27.062  -3.9174   8.7458   82.338   40.025   58.077   26.441 24.26182 47.97025 
1 1 1   -3   24   22 o   89.121   29.030   11.357   7.6902   24.410   24.964   9.9885   8.0832  125.067   50.300   85.377   29.762 39.68960 58.44584 
1 1 1   -3   24   23 o  154.354   24.572   34.066   9.4952   55.360   24.489   30.299   10.301  172.694   51.131  142.958   28.813 29.73627 58.69029 
1 1 1   -3   24   24 o   72.168   29.642   4.3813   8.8860   0.0000   0.0000   4.3813   8.8860  ?   ?    72.168   29.642 0.000000 29.64207 
1 1 1   -3   24   25 o   64.501   31.429 -21.6592   16.961 -12.8600   23.918 -30.5600   24.056   83.804   39.924   74.061   36.367 9.742928 54.00450 
1 1 1   -3   24   26 o   63.898   27.681   1.2698   8.4513   45.160   24.781  -4.5070   8.9903  144.785   51.959   56.648   26.164 88.13665 58.17459 
1 1 1   -3   24   27 o  136.827   25.930   28.251   8.8539  -0.9888   25.155   32.386   9.4592   90.317   42.392  146.798   25.819 -56.48145 49.63576 
1 1 1   -3   24   28 o   47.288   22.625  -8.2599   7.8555  -2.4640   24.297  -8.9365   8.3014   86.466   40.916   48.217   23.119 38.24914 46.99536 
1 1 1   -3   24   29 o   61.098   26.718   1.2774   8.0308  -2.3750   23.151   1.7770   8.5625   83.590   39.666   63.418   27.665 20.17173 48.36013 
1 1 1   -3   24   30 o   43.439   21.139 -10.5638   7.6038 -13.6200   17.557  -9.8583   8.4360   66.883   32.449   47.150   22.783 19.73254 39.64862 
1 1 1   -3   24   31 o   64.527   27.299   3.7979   7.8704 -16.9700   20.937   7.2155   8.4933   69.497   34.086   72.954   29.340 -3.456627 44.97427 
1 1 1   -3   24   32 o  124.377   27.166   25.361   8.5071   10.040   22.931   27.806   9.1608   87.342   40.829  129.423   28.129 -42.08090 49.58100 
1 1 1   -3   24   33 o   47.937   22.724  -5.3896   7.5606 -18.7300   20.044  -3.1766   8.1636   65.070   32.187   52.666   24.533 12.40414 40.47072 
1 1 1   -3   24   34 f   65.384   27.658   5.1661   8.0768   14.700   21.604   3.6170   8.7082   85.551   39.871   63.542   27.804 22.00928 48.60783 
1 1 1   -3   24   35 o   51.345   24.203  -3.5899   8.3548 -31.2200   22.385   0.8821   9.0056   60.349   30.445   58.766   26.784 1.582611 40.55040 
1 1 1   -3   24   36 o   55.673   27.051  -7.5125   12.326   0.0000   0.0000  -7.5125   12.326  ?   ?    55.673   27.051 0.000000 27.05137 
1 1 1   -3   24   37 o   76.209   33.768   13.105   13.226   9.7630   23.268   14.700   16.075   74.039   36.234   77.403   35.470 -3.363968 50.70526 
1 1 1   -3   24   38 f   55.408   26.340  -1.4677   10.297   12.540   18.392  -7.8632   12.427   73.071   34.866   53.669   26.310 19.40229 43.67900 
1 1 1   -3   24   39 o   88.418   34.863   22.056   11.761   26.900   24.199   20.559   13.457   77.729   37.800   82.166   35.257 -4.436600 51.69020 
1 1 1   -3   24   40 o   57.288   25.714   4.3424   7.9293   8.0010   10.259  -1.0867   12.497   64.120   28.971   56.424   27.375 7.695862 39.85865 
1 1 1   -3   24   41 o   53.798   24.948   2.6438   8.2955  -2.9014   13.456   6.0432   10.536   54.477   26.838   59.767   27.850 -5.290012 38.67745 
1 1 1   -3   25    1 o  269.987   17.926   96.078   12.465  103.958   19.013   90.138   16.507  278.027   26.731  259.381   24.874 18.64624 36.51381 
1 1 1   -3   25    2 o  258.988   18.594   88.570   12.391   98.199   18.649   80.960   16.579  270.010   27.028  245.107   26.537 24.90268 37.87724 
1 1 1   -3   25    3 o  263.457   17.884   91.525   12.132  105.923   18.416   80.486   16.126  281.016   25.580  244.577   25.846 36.43867 36.36383 
1 1 1   -3   25    4 o  115.068   34.195   18.355   10.938   5.0970   21.492   22.988   12.706  107.424   45.262  127.777   36.548 -20.35300 58.17521 
1 1 1   -3   25    5 o  252.691   27.171   86.311   17.505   41.810   27.672  116.000   22.602  168.404   55.078  291.936   30.332 -123.5321 62.87820 
1 1 1   -3   25    6 o  240.236   30.230   78.957   18.395   96.960   29.059   66.920   23.762  259.018   44.941  214.626   44.213 44.39204 63.04326 
1 1 1   -3   25    7 o   71.431   32.447  -6.5293   13.074 -15.6293   16.001   11.750   22.678   71.172   33.532  117.621   47.718 -46.44891 58.32169 
1 1 1   -3   25    8 o  298.238   25.093  119.624   19.205   0.0000   0.0000  119.624   19.205  ?   ?   298.238   25.093 0.000000 25.09288 
1 1 1   -3   25    9 o  275.344   18.995  100.530   13.465   76.717   20.732  117.900   17.707  233.607   35.369  296.637   23.231 -63.03017 42.31559 
1 1 1   -3   25   10 o  312.559   16.540  128.839   13.344  146.769   21.157  116.997   17.195  330.001   24.935  295.485   22.637 34.51559 33.67812 
1 1 1   -3   25   11 o  173.233   27.460   41.503   11.911   45.397   17.834   38.366   16.004  175.816   40.053  161.951   38.682 13.86479 55.68270 
1 1 1   -3   25   12 o  159.947   27.663   35.653   11.047   52.958   17.782   24.778   14.096  191.032   37.274  130.325   38.840 60.70692 53.83229 
1 1 1   -3   25   13 o  129.910   34.930   24.616   12.009   33.418   17.266   16.369   16.714  148.625   42.632  113.486   42.350 35.13914 60.09167 
1 1 1   -3   25   14 o  222.799   20.353   66.901   11.617   54.903   19.317   73.698   14.539  191.245   40.268  231.926   24.576 -40.68106 47.17467 
1 1 1   -3   25   15 o  227.939   26.118   72.032   15.143   40.920   27.795   85.164   18.058  157.011   55.164  246.349   28.845 -89.33772 62.25037 
1 1 1   -3   25   16 o   63.825   29.913 -10.1062   12.446   2.3130   22.623 -15.4963   14.904  100.714   44.418   66.251   31.549 34.46292 54.48198 
1 1 1   -3   25   17 o  144.061   36.914   31.766   13.837  -1.7040   28.943   41.683   15.755  105.795   48.141  164.999   37.688 -59.20488 61.13861 
1 1 1   -3   25   18 o  186.400   21.162   47.793   10.037   58.510   28.315   46.253   10.734  178.411   55.430  182.258   23.267 -3.846771 60.11529 
1 1 1   -3   25   19 o  139.411   24.568   27.652   8.5476   44.850   23.652   25.068   9.1672  158.410   50.850  130.995   27.873 27.41489 57.98837 
1 1 1   -3   25   20 o  170.911   22.756   40.959   9.8241   19.440   24.266   45.177   10.744  117.870   48.758  179.022   23.756 -61.15199 54.23674 
1 1 1   -3   25   21 o  109.503   29.911   18.114   8.7241   20.590   25.969   17.799   9.2624  118.756   49.879  108.122   31.286 10.63411 58.87949 
1 1 1   -3   25   22 o   70.052   28.291   4.5219   7.9327  -6.3650   26.281   5.6132   8.3208   93.013   43.553   73.515   29.217 19.49812 52.44543 
1 1 1   -3   25   23 o   65.280   31.678 -19.7400   16.756   0.0000   0.0000 -19.7400   16.756  ?   ?    65.280   31.678 0.000000 31.67795 
1 1 1   -3   25   24 o  106.211   46.668   15.130   24.759   15.130   24.759   0.0000   0.0000  106.211   46.668  ?   ?  0.000000 46.66774 
1 1 1   -3   25   25 o   51.511   23.439  -2.5214   6.8597 -29.5900   24.094  -0.1338   7.1558   72.622   35.804   56.779   25.014 15.84335 43.67656 
1 1 1   -3   25   26 o  154.524   24.069   35.513   9.3203   43.250   25.133   34.279   10.036  134.066   51.499  149.444   26.915 -15.37796 58.10878 
1 1 1   -3   25   27 o   92.001   30.936   13.913   8.7143   6.9580   21.955   15.214   9.4942   89.961   41.309   95.198   32.289 -5.236382 52.43113 
1 1 1   -3   25   28 o  113.299   28.274   20.919   8.2711   23.350   18.417   20.305   9.2571  105.507   42.928  109.035   31.198 -3.528168 53.06726 
1 1 1   -3   25   29 o   49.820   23.417  -4.9693   7.7217   8.7890   20.725  -7.1871   8.3208   87.167   40.066   49.256   23.488 37.91094 46.44347 
1 1 1   -3   25   30 o   88.354   29.859   13.423   8.1184   11.960   22.024   13.653   8.7334   88.948   41.036   88.509   30.931 0.4393005 51.38819 
1 1 1   -3   25   31 o   69.313   28.228   6.4892   7.9731   18.190   22.062   4.7313   8.5511   92.306   42.014   66.540   28.316 25.76685 50.66520 
1 1 1   -3   25   32 o   53.606   24.401  -0.7835   7.4437   1.5340   18.310  -1.2424   8.1474   74.376   35.288   54.904   25.194 19.47168 43.35885 
1 1 1   -3   25   33 o   90.265   30.185   15.402   8.2960   10.320   21.957   16.249   8.9602   80.818   38.431   91.390   31.365 -10.57178 49.60559 
1 1 1   -3   25   34 o   79.361   30.058   12.137   8.4868  -6.6970   23.177   15.053   9.1203   69.567   34.448   86.009   31.427 -16.44174 46.62956 
1 1 1   -3   25   35 o   74.469   31.850   11.084   10.918   0.0000   0.0000   11.084   10.918  ?   ?    74.469   31.850 0.000000 31.85045 
1 1 1   -3   25   36 o   58.649   28.101  -1.5628   12.219   0.5254   22.860  -2.3980   14.457   68.307   33.892   60.748   29.466 7.559361 44.91000 
1 1 1   -3   25   37 o   68.068   28.397   9.1017   8.3323   23.250   21.983   6.7279   9.0042   77.886   37.417   63.805   28.087 14.08082 46.78591 
1 1 1   -3   25   38 o   52.658   25.060  -1.2279   9.3723 -17.9800   22.307   2.3633   10.328   58.083   29.428   57.908   27.175 0.1748123 40.05621 
1 1 1   -3   25   39 o   63.905   27.870   8.4070   8.6851  -2.9530   22.686   10.358   9.4014   61.227   30.858   67.069   29.125 -5.841797 42.43256 
1 1 1   -3   25   40 o   46.659   22.792  -4.8739   9.0784   17.010   22.612  -9.0791   9.9123   65.840   32.836   45.109   22.370 20.73110 39.73238 
1 1 1   -3   26    1 o  126.391   37.950   22.765   13.421   18.311   16.563   31.280   22.901  118.758   42.493  147.161   50.147 -28.40228 65.73003 
1 1 1   -3   26    2 o  122.005   39.242   20.842   14.080   16.376   17.557   28.890   23.569  116.282   43.403  143.349   50.754 -27.06673 66.78180 
1 1 1   -3   26    3 o  355.803   18.274  167.464   16.785  172.964   21.232  158.300   27.409  359.483   22.921  338.976   31.579 20.50687 39.02071 
1 1 1   -3   26    4 o   73.911   31.023   1.9668   10.034   22.549   16.663  -9.7432   12.569  127.072   42.779   65.798   30.580 61.27417 52.58438 
1 1 1   -3   26    5 o  192.154   22.760   49.912   11.109   54.780   16.352   45.740   15.138  197.108   33.207  179.493   33.799 17.61414 47.38219 
1 1 1   -3   26    6 o  107.001   34.636   15.758   10.956   27.115   17.810   8.8444   13.896  136.515   44.158   96.134   37.899 40.38136 58.19144 
1 1 1   -3   26    7 o  239.398   21.134   76.901   12.971  105.389   20.416   57.621   16.796  276.637   28.919  201.731   33.305 74.90604 44.10819 
1 1 1   -3   26    8 o  169.209   28.799   40.070   12.171   19.255   17.810   58.305   16.670  120.422   43.930  202.832   32.852 -82.40975 54.85516 
1 1 1   -3   26    9 o  101.490   34.900   13.796   11.097   20.545   18.278   9.8563   13.965  122.711   44.543   97.393   38.117 25.31790 58.62550 
1 1 1   -3   26   10 f  223.793   21.380   67.698   12.243   61.612   17.407   73.657   17.223  207.300   33.564  229.277   29.699 -21.97617 44.81689 
1 1 1   -3   26   11 o  161.548   31.169   37.490   12.570   22.824   18.862   49.206   16.860  125.971   45.318  182.374   36.955 -56.40274 58.47558 
1 1 1   -3   26   12 o  111.741   35.105   18.158   11.322   13.595   18.420   20.929   14.353  109.215   43.451  119.316   39.699 -10.10043 58.85516 
1 1 1   -3   26   13 f  126.233   33.949   23.736   11.342   28.527   15.671   18.465   16.437  135.667   41.070  114.733   42.150 20.93365 58.84995 
1 1 1   -3   26   14 o  252.398   20.462   86.592   13.262   98.234   19.704   76.949   17.933  262.569   29.480  231.240   30.698 31.32840 42.56047 
1 1 1   -3   26   15 o   67.873   30.222  -1.8663   10.722  -9.3482   16.430   3.6829   14.150   75.068   34.913   84.954   36.295 -9.885818 50.36126 
1 1 1   -3   26   16 o   55.832   27.321 -21.7505   13.219 -36.2200   21.813 -13.3519   16.619   69.324   34.156   71.607   33.870 -2.283501 48.10246 
1 1 1   -3   26   17 o   66.363   30.768  -7.1339   12.606   16.720   25.087 -15.1919   14.581  115.567   48.808   64.424   30.823 51.14305 57.72580 
1 1 1   -3   26   18 o  106.438   27.829   16.817   7.7593 -43.0800   28.226   21.713   8.0703   77.574   38.340  121.847   26.337 -44.27322 46.51481 
1 1 1   -3   26   19 o   87.709   30.701   10.883   8.6054  -8.2680   27.410   12.977   9.0637   93.914   44.136   93.858   31.550 0.5628967E-01 54.25275 
1 1 1   -3   26   20 o  116.343   30.659   20.865   9.3693   7.4110   24.676   23.131   10.128  101.752   45.537  121.945   31.751 -20.19316 55.51384 
1 1 1   -3   26   21 o   90.827   29.964   12.389   8.1832   0.0000   0.0000   12.389   8.1832  ?   ?    90.827   29.964 0.000000 29.96396 
1 1 1   -3   26   22 o   95.596   40.335   11.458   17.108   5.1460   24.361   17.600   24.030   96.332   43.963  108.131   46.760 -11.79932 64.18137 
1 1 1   -3   26   23 o  105.178   31.760   17.929   9.3803   24.820   22.224   16.435   10.347  114.073   46.869  100.314   33.710 13.75901 57.73256 
1 1 1   -3   26   24 o  123.955   24.697   23.197   7.6512   25.750   21.543   22.829   8.1848  112.768   46.217  121.479   26.736 -8.710976 53.39311 
1 1 1   -3   26   25 o   72.755   28.550   6.8976   7.8512   14.640   19.769   5.4478   8.5547   96.278   42.016   70.662   29.061 25.61594 51.08731 
1 1 1   -3   26   26 o   58.383   26.124  -0.2170   8.1175   20.780   18.297  -5.3628   9.0577  101.860   42.253   54.111   25.411 47.74959 49.30544 
1 1 1   -3   26   27 o   68.794   28.366   5.5196   8.1769  -2.2890   20.500   6.9971   8.9170   78.052   37.121   73.099   29.820 4.952965 47.61562 
1 1 1   -3   26   28 o   66.326   27.334   5.1350   7.5876 -30.5300   22.061   9.9197   8.0805   64.166   32.068   78.548   29.420 -14.38225 43.51935 
1 1 1   -3   26   29 o   56.228   25.535  -0.6770   8.0918   3.2510   22.409  -1.2660   8.6772   80.910   38.573   56.965   26.088 23.94503 46.56659 
1 1 1   -3   26   30 o   96.317   29.962   16.796   8.2700   42.290   23.170   13.074   8.8532  114.817   47.581   84.851   30.970 29.96645 56.77232 
1 1 1   -3   26   31 f   41.858   20.237  -7.4557   6.6784 -18.0500   17.450  -5.6377   7.2287   59.988   29.738   45.908   21.892 14.07980 36.92683 
1 1 1   -3   26   32 o   79.419   28.724   11.637   7.5906   18.400   21.959   10.719   8.0892   84.840   39.753   76.614   29.267 8.225685 49.36478 
1 1 1   -3   26   33 o   54.862   24.875   0.9363   7.6403   17.240   22.973  -1.0912   8.1014   80.651   38.614   52.984   24.600 27.66740 45.78460 
1 1 1   -3   26   34 o   73.580   31.606   11.244   10.834   0.0000   0.0000   11.244   10.834  ?   ?    73.580   31.606 0.000000 31.60574 
1 1 1   -3   26   35 o   53.031   25.314  -2.5313   9.7153 -10.7900   22.478  -0.6341   10.774   62.430   31.366   56.703   26.951 5.726215 41.35433 
1 1 1   -3   26   36 o   49.945   23.669  -1.8301   8.1899   30.550   22.882  -6.5877   8.7710   79.845   38.310   46.453   22.627 33.39203 44.49319 
1 1 1   -3   26   37 o   48.362   23.268  -3.3987   8.5744  -4.4710   20.634  -3.1749   9.4269   60.548   30.369   50.239   24.228 10.30893 38.84970 
1 1 1   -3   26   38 o   61.448   27.530   7.4406   9.0446   7.9750   24.178   7.3536   9.7527   63.936   32.177   61.442   27.953 2.494423 42.62318 
1 1 1   -3   26   39 o   41.940   20.772  -8.6799   8.4427   3.6810   16.272 -13.2332   9.8760   58.418   28.916   42.097   21.100 16.32110 35.79550 
1 1 1   -3   26   40 o   37.659   19.065 -17.6470   9.2425   0.5672   23.926 -20.8419   10.020   56.507   28.808   37.887   19.250 18.61958 34.64786 
1 1 1   -3   27    1 o   90.189   35.162   8.3272   11.849  -6.2869   18.047   19.399   15.708   84.115   38.175  118.095   41.472 -33.98086 56.36668 
1 1 1   -3   27    2 o  186.980   24.860   48.106   11.742   70.720   18.615   33.162   15.132  222.651   33.299  148.953   38.824 73.69870 51.14831 
1 1 1   -3   27    3 o  302.772   16.647  121.615   13.006  113.191   18.989  129.058   17.850  287.351   25.786  308.977   22.456 -21.62585 34.19376 
1 1 1   -3   27    4 o  240.870   19.820   77.950   12.257   97.277   19.466   65.255   15.776  264.192   28.918  215.891   28.940 48.30035 40.91152 
1 1 1   -3   27    5 o  307.920   16.936  126.032   13.457  124.010   20.511  127.559   17.830  299.844   26.687  306.759   22.599 -6.915375 34.96983 
1 1 1   -3   27    6 o  229.841   20.444   71.336   12.044   65.955   18.171   75.553   16.085  213.576   33.985  233.079   27.151 -19.50356 43.49878 
1 1 1   -3   27    7 o  218.317   21.611   64.826   12.061   76.714   19.841   57.859   15.189  229.906   34.372  201.823   29.965 28.08252 45.59958 
1 1 1   -3   27    8 o  403.881   14.188  215.222   14.843  236.139   22.392  198.828   19.824  418.773   20.642  384.274   19.985 34.49951 28.73154 
1 1 1   -3   27    9 o  253.186   19.698   86.634   12.817   88.575   19.035   85.025   17.336  249.384   30.074  245.948   27.693 3.435806 40.88223 
1 1 1   -3   27   10 o  107.618   36.344   16.800   12.028   10.146   18.659   21.530   15.733  103.003   42.693  119.707   41.533 -16.70387 59.56284 
1 1 1   -3   27   11 o  159.657   28.925   36.864   11.522   24.471   17.811   45.783   15.109  125.364   44.149  174.703   34.611 -49.33948 56.09836 
1 1 1   -3   27   12 o  163.884   30.600   39.453   12.512   23.545   18.766   52.183   16.788  123.073   45.064  184.880   36.351 -61.80688 57.89791 
1 1 1   -3   27   13 o  320.034   17.525  138.087   14.472  114.972   21.546  157.091   19.536  281.511   30.010  337.190   22.496 -55.67944 37.50569 
1 1 1   -3   27   14 o  266.315   18.328   96.320   12.566   86.703   17.018  107.851   18.634  245.971   27.164  275.199   26.467 -29.22807 37.92598 
1 1 1   -3   27   15 o  172.796   27.621   43.489   11.946   27.715   18.999   53.804   15.364  127.785   45.534  188.690   32.613 -60.90476 56.00845 
1 1 1   -3   27   16 o   80.945   32.899   6.5240   10.802  -9.2992   15.657   20.896   14.922   71.600   33.555  114.109   40.386 -42.50890 52.50712 
1 1 1   -3   27   17 o  136.639   37.110   30.478   13.474   18.580   21.472   38.207   17.306  111.734   46.007  148.370   42.717 -36.63556 62.78062 
1 1 1   -3   27   18 o  181.128   30.158   49.688   13.652   30.680   27.479   55.917   15.731  126.752   52.101  189.497   33.261 -62.74535 61.81274 
1 1 1   -3   27   19 o   88.415   31.501   11.501   9.0926   0.0000   0.0000   11.501   9.0926  ?   ?    88.415   31.501 0.000000 31.50054 
1 1 1   -3   27   20 f  116.593   46.644   25.530   21.343   0.0000   0.0000   25.530   21.343  ?   ?   116.593   46.644 0.000000 46.64405 
1 1 1   -3   27   21 o   85.435   37.697   5.7383   16.314   11.700   25.698   1.7140   21.114  100.554   45.604   87.573   40.322 12.98101 60.87366 
1 1 1   -3   27   22 o  101.617   32.618   17.275   9.7320   63.120   26.330   10.022   10.474  161.534   53.770   83.754   32.940 77.77966 63.05770 
1 1 1   -3   27   23 o   63.857   26.825   3.3752   7.5125  -3.2180   23.941   4.0953   7.9121   83.930   39.973   66.343   27.675 17.58672 48.61810 
1 1 1   -3   27   24 o   87.818   28.907   12.634   7.6176   11.070   24.412   12.802   8.0180   92.748   42.935   88.091   29.674 4.656822 52.19147 
1 1 1   -3   27   25 o  144.106   25.393   32.556   9.1323   38.390   24.328   31.599   9.8528  117.328   48.700  139.002   28.326 -21.67381 56.33856 
1 1 1   -3   27   26 o  116.828   28.332   22.902   8.4854   13.960   22.352   24.408   9.1720   90.325   41.552  119.220   29.786 -28.89475 51.12480 
1 1 1   -3   27   27 f   93.773   29.398   15.466   7.9446 -12.7100   22.495   19.481   8.4918   71.512   35.126  105.093   29.815 -33.58187 46.07344 
1 1 1   -3   27   28 o   81.013   29.643   11.486   8.1182   15.300   22.319   10.905   8.7151   87.745   40.770   79.384   30.366 8.360268 50.83554 
1 1 1   -3   27   29 o   82.827   28.576   12.277   7.4423   11.170   21.057   12.436   7.9558   82.146   38.630   82.750   29.467 -0.6040344 48.58628 
1 1 1   -3   27   30 o  189.287   17.853   53.097   8.6503   27.850   19.381   59.378   9.6666   96.038   41.762  198.568   19.027 -102.5302 45.89193 
1 1 1   -3   27   31 o  104.865   28.221   20.372   7.8345   37.190   22.914   18.146   8.3369   97.454   43.729   95.903   30.123 1.550797 53.10034 
1 1 1   -3   27   32 o  100.240   30.849   20.823   8.7940   9.8540   23.330   22.639   9.4942   74.284   36.339  102.668   32.130 -28.38467 48.50584 
1 1 1   -3   27   33 o   49.827   24.559 -10.4682   11.312   0.0000   0.0000 -10.4682   11.312  ?   ?    49.827   24.559 0.000000 24.55896 
1 1 1   -3   27   34 o   96.970   36.673   27.855   12.621   4.6120   21.567   39.960   15.564   66.698   33.063  107.828   40.738 -41.13040 52.46673 
1 1 1   -3   27   35 o   55.432   25.121   3.2513   7.7798   19.690   23.397   1.2080   8.2492   71.451   35.237   53.185   24.736 18.26614 43.05285 
1 1 1   -3   27   36 f   54.553   24.306   3.8629   6.9462  -0.6443   18.049   4.6466   7.5259   59.596   29.660   56.533   25.235 3.063332 38.94251 
1 1 1   -3   27   37 f   54.463   24.953   3.7964   7.9501 -21.1200   23.426   7.0395   8.4517   54.418   27.808   59.736   26.698 -5.318077 38.54938 
1 1 1   -3   27   38 o   66.580   27.585   11.405   7.7850   4.4000   21.032   12.517   8.3803   58.500   29.513   67.853   28.408 -9.352882 40.96356 
1 1 1   -3   27   39 o   42.898   21.238  -6.3295   8.7967  -7.5140   23.570  -6.1379   9.4818   53.437   27.352   44.181   21.905 9.255882 35.04264 
1 1 1   -3   28    1 o  139.973   31.450   28.856   11.125   40.370   16.822   19.906   14.831  160.636   40.452  116.014   40.322 44.62186 57.11568 
1 1 1   -3   28    2 o  279.111   18.860  105.054   13.555   81.754   19.747  125.815   18.640  236.580   33.133  301.939   24.032 -65.35861 40.93093 
1 1 1   -3   28    3 f  165.549   38.972   42.452   16.435   0.0000   0.0000   42.452   16.435  ?   ?   165.549   38.972 0.000000 38.97155 
1 1 1   -3   28    4 o  280.292   16.599  105.114   11.998   92.304   18.070  115.214   16.045  255.410   27.760  290.424   21.480 -35.01396 35.09991 
1 1 1   -3   28    5 o  203.414   23.907   57.597   12.356   75.020   19.278   45.448   16.098  225.010   34.149  172.213   37.176 52.79655 50.48016 
1 1 1   -3   28    6 o  164.603   29.111   39.294   11.958   30.055   18.104   46.444   15.927  135.833   44.557  174.341   36.441 -38.50818 57.56075 
1 1 1   -3   28    7 o  345.445   14.690  158.507   13.145  153.477   20.260  162.162   17.274  332.700   23.664  345.775   19.364 -13.07422 30.57654 
1 1 1   -3   28    8 o  291.778   17.958  115.016   13.507  108.340   19.706  120.931   18.549  275.204   28.035  294.028   24.581 -18.82455 37.28495 
1 1 1   -3   28    9 o   74.522   32.290   1.4475   11.504  -6.2717   16.669   8.4683   15.897   77.771   35.816   94.305   39.274 -16.53410 53.15240 
1 1 1   -3   28   10 o  182.946   25.445   47.756   11.731   53.051   18.591   44.253   15.123  180.909   40.662  168.814   35.699 12.09502 54.10924 
1 1 1   -3   28   11 o  175.411   28.764   45.221   12.616   17.920   18.162   70.677   17.538  110.558   43.410  217.009   32.175 -106.4504 54.03408 
1 1 1   -3   28   12 o  263.415   20.118   95.662   13.623   71.311   20.584  114.644   18.173  210.561   39.181  283.999   24.957 -73.43805 46.45438 
1 1 1   -3   28   13 o   66.731   30.030  -2.1055   10.894 -16.4806   16.271   9.5748   14.667   66.954   32.173   92.429   38.037 -25.47491 49.81835 
1 1 1   -3   28   14 o  111.342   36.053   19.911   11.870   40.833   17.767   3.0456   15.952  152.669   43.062   84.724   37.336 67.94477 56.99385 
1 1 1   -3   28   15 o  112.897   33.734   20.392   10.624   19.921   15.640   20.795   14.476  110.140   40.994  111.913   39.759 -1.773796 57.10756 
1 1 1   -3   28   16 o  108.751   35.817   19.371   11.695   32.534   17.609   8.9844   15.642  132.866   43.960   90.952   38.483 41.91310 58.42487 
1 1 1   -3   28   17 o   55.301   26.796 -14.7759   11.875 -30.1000   20.093  -6.5506   14.721   65.729   32.460   70.042   32.733 -4.312683 46.09856 
1 1 1   -3   28   18 o   80.927   34.980   5.3773   13.435   14.480   17.078  -9.4030   21.761   98.334   40.808   80.171   38.163 18.16281 55.87215 
1 1 1   -3   28   19 o   90.119   36.692   11.699   13.467   20.130   24.124   7.8816   16.232  106.558   46.461   87.276   38.081 19.28232 60.07260 
1 1 1   -3   28   20 o   63.459   27.644   1.6834   8.5237 -10.3900   24.997   3.2720   9.0672   81.561   39.364   67.678   28.988 13.88308 48.88560 
1 1 1   -3   28   21 o  132.510   30.520   29.057   10.260   33.250   25.563   28.252   11.201  115.214   48.992  127.493   33.487 -12.27853 59.34324 
1 1 1   -3   28   22 o   56.398   24.908   0.4864   7.1384   1.4880   25.001   0.3975   7.4485   85.558   40.776   57.183   25.339 28.37442 48.00776 
1 1 1   -3   28   23 o  129.379   23.482   25.804   7.5795  -7.6720   25.531   29.040   7.9374   79.144   38.563  137.787   23.054 -58.64293 44.92858 
1 1 1   -3   28   24 o  156.369   22.308   37.277   8.7795   41.220   23.618   36.645   9.4572  117.479   48.298  152.451   24.801 -34.97244 54.29333 
1 1 1   -3   28   25 o  127.153   27.615   27.124   8.8349 -24.4500   22.479   36.547   9.6082   65.782   32.796  150.616   25.540 -84.83474 41.56797 
1 1 1   -3   28   26 o   76.280   28.887   9.7896   7.8372   24.270   22.184   7.7247   8.3774   95.026   42.800   71.555   29.012 23.47086 51.70574 
1 1 1   -3   28   27 o   67.709   27.817   6.5687   7.8276 -18.9900   22.181   10.204   8.3658   65.743   32.746   76.507   29.624 -10.76387 44.15690 
1 1 1   -3   28   28 o   38.518   18.964 -10.5840   6.6841 -23.5000   18.956  -8.7501   7.1429   58.772   29.425   41.908   20.415 16.86350 35.81311 
1 1 1   -3   28   29 o   96.370   28.898   17.670   7.7855   6.7640   17.762   20.264   8.6619   73.307   34.774  101.375   30.499 -28.06790 46.25406 
1 1 1   -3   28   30 o   87.405   29.765   15.593   8.0679   27.560   22.989   13.913   8.6159   85.683   40.316   81.626   30.417 4.056870 50.50331 
1 1 1   -3   28   31 o   85.245   30.901   16.186   8.7922   13.880   23.736   16.552   9.4655   73.985   36.288   84.548   31.808 -10.56302 48.25521 
1 1 1   -3   28   32 f   79.375   36.708   22.810   17.779   0.0000   0.0000   22.810   17.779  ?   ?    79.375   36.708 0.000000 36.70788 
1 1 1   -3   28   33 o   56.151   27.206  -1.2352   12.234 -18.4800   20.709   8.0100   15.163   56.072   28.403   65.331   31.303 -9.258938 42.26851 
1 1 1   -3   28   34 o   52.714   24.894   0.6685   8.9126   42.930   23.589  -6.3689   9.6261   81.114   38.913   47.285   23.176 33.82969 45.29180 
1 1 1   -3   28   35 o   70.055   29.114   12.632   8.7097   2.2990   21.743   14.607   9.5057   60.563   30.484   72.584   30.311 -12.02136 42.98811 
1 1 1   -3   28   36 o   59.829   27.000   7.8510   8.8803   4.3650   22.231   8.5129   9.6866   59.374   30.000   60.652   27.696 -1.278656 40.83004 
1 1 1   -3   28   37 o   45.781   22.313  -2.8085   8.5652 -28.7200   23.232   1.2676   9.2143   49.973   25.677   50.442   24.231 -0.4691620 35.30547 
1 1 1   -3   28   38 o   43.564   21.142  -1.9878   7.4687 -10.1100   16.869  -0.0075   8.3296   48.816   24.821   46.777   22.612 2.039043 33.57610 
1 1 1   -3   29    1 o  197.600   24.463   55.314   12.254   52.278   18.837   57.542   16.134  178.424   41.534  195.071   33.114 -16.64700 53.11896 
1 1 1   -3   29    2 o  147.955   31.284   33.025   11.615   17.349   18.730   42.819   14.805  110.341   43.841  165.814   35.538 -55.47374 56.43571 
1 1 1   -3   29    3 o  139.774   33.165   30.095   11.827   8.2757   17.505   48.419   16.042   95.614   40.597  175.724   36.438 -80.10974 54.55150 
1 1 1   -3   29    4 o  190.607   22.940   51.104   11.099   37.404   17.255   60.772   14.495  148.659   42.611  204.199   28.153 -55.53940 51.07150 
1 1 1   -3   29    5 o  132.928   31.708   27.044   10.765   18.797   16.308   33.412   14.330  110.651   41.725  143.648   37.946 -32.99724 56.39952 
1 1 1   -3   29    6 o  188.844   25.729   51.336   12.258   64.468   18.524   41.105   16.350  202.318   36.698  157.722   39.970 44.59666 54.26191 
1 1 1   -3   29    7 o  193.690   22.469   52.832   11.063   42.585   15.429   63.677   15.872  162.562   37.417  206.229   30.644 -43.66655 48.36448 
1 1 1   -3   29    8 o  130.906   34.258   27.173   11.751   15.964   18.047   35.423   15.483  105.858   42.700  145.313   39.912 -39.45487 58.44854 
1 1 1   -3   29    9 o  236.932   20.134   77.892   12.240   79.624   17.938   76.384   16.743  229.771   30.925  226.696   29.191 3.075073 42.52616 
1 1 1   -3   29   10 o  186.552   25.283   50.467   11.903   72.199   18.946   36.296   15.299  213.513   35.503  146.547   39.435 66.96620 53.06247 
1 1 1   -3   29   11 o  120.670   34.871   23.681   11.513   3.6464   17.010   40.622   15.641   86.519   38.318  155.210   38.963 -68.69059 54.64784 
1 1 1   -3   29   12 o  136.902   31.366   29.398   10.884   35.580   16.083   24.175   14.784  141.827   41.281  118.088   40.291 23.73901 57.68473 
1 1 1   -3   29   13 o  103.008   35.385   17.239   11.406   11.265   18.310   21.027   14.581   96.391   41.237  110.724   39.843 -14.33320 57.34045 
1 1 1   -3   29   14 o  146.366   31.514   34.034   11.595   37.080   19.255   32.301   14.523  137.028   45.986  135.178   39.193 1.849716 60.42207 
1 1 1   -3   29   15 o  110.809   41.177   22.272   15.768   7.0330   23.464   34.820   21.292   94.808   43.221  128.624   47.839 -33.81574 64.47191 
1 1 1   -3   29   16 o   58.592   27.592  -6.9665   10.810 -16.5773   15.891   1.3110   14.748   63.434   30.798   76.958   34.757 -13.52384 46.43858 
1 1 1   -3   29   17 o   73.376   32.973   1.4660   13.079   13.560   24.704  -3.2447   15.418   98.450   44.674   72.611   33.787 25.83842 56.01178 
1 1 1   -3   29   18 o   89.625   35.228   13.080   11.973   4.8075   14.638   29.800   20.810   79.229   35.293  114.869   46.021 -35.64053 57.99618 
1 1 1   -3   29   19 o   70.656   31.193   3.1826   11.185 -27.0700   19.810   17.340   13.552   63.408   31.476   96.724   37.633 -33.31599 49.06081 
1 1 1   -3   29   20 o  116.273   29.488   22.829   8.8944   36.920   23.372   20.443   9.6181  116.426   47.976  107.213   32.112 9.213341 57.73140 
1 1 1   -3   29   21 o   79.261   29.313   10.276   7.9719   31.190   24.262   7.7448   8.4406  106.111   46.420   73.264   29.325 32.84768 54.90720 
1 1 1   -3   29   22 o   90.562   29.761   14.520   8.0755   5.8980   23.975   15.624   8.5767   83.199   39.728   93.075   30.674 -9.876511 50.19226 
1 1 1   -3   29   23 o   48.279   23.109  -6.7937   8.2154   7.6750   22.322  -9.0606   8.8355   81.996   38.921   47.956   23.207 34.04008 45.31445 
1 1 1   -3   29   24 o   45.625   22.075  -8.3711   7.9847 -28.1000   21.284  -5.1398   8.6138   61.479   30.837   50.990   24.196 10.48922 39.19663 
1 1 1   -3   29   25 o   67.968   27.779   6.8616   7.7561 -32.4500   21.346   12.841   8.3251   59.246   29.869   82.893   30.066 -23.64671 42.38059 
1 1 1   -3   29   26 o   42.692   20.650  -7.2994   6.9752   1.3040   20.165  -8.4688   7.4342   72.278   34.997   43.091   20.954 29.18719 40.79054 
1 1 1   -3   29   27 o   47.336   22.562  -4.7636   7.6582 -12.9400   18.024  -2.9624   8.4598   60.978   30.227   51.662   24.353 9.315861 38.81704 
1 1 1   -3   29   28 o   51.520   24.030  -1.3832   7.8732   12.230   19.162  -4.1482   8.6358   75.464   35.890   50.107   23.904 25.35752 43.12193 
1 1 1   -3   29   29 o   55.193   25.136   1.7266   7.9114 -18.7300   21.810   4.8263   8.4897   59.745   30.129   60.979   27.035 -1.234455 40.48090 
1 1 1   -3   29   30 o   86.484   30.940   17.423   8.7806  -2.9420   24.989   20.291   9.3786   65.071   32.743   92.034   32.060 -26.96302 45.82529 
1 1 1   -3   29   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   29   32 o   56.088   26.455   2.5936   10.009  -4.2650   17.218   6.0946   12.301   57.340   28.606   61.166   28.993 -3.826057 40.72963 
1 1 1   -3   29   33 o   64.066   28.411   9.7445   9.3817   11.820   23.123   9.3355   10.264   63.895   32.062   63.177   28.718 0.7175179 43.04261 
1 1 1   -3   29   34 o   76.718   31.014   17.729   9.5433 -11.5500   23.206   23.689   10.469   55.392   28.251   85.986   33.183 -30.59399 43.58023 
1 1 1   -3   29   35 o   51.769   24.220   3.1612   8.0973  -9.4530   17.664   6.5172   9.1110   51.661   26.176   56.615   26.216 -4.953384 37.04637 
1 1 1   -3   29   36 o   40.389   20.245 -10.6594   9.0970  -4.1610   23.770 -11.7746   9.8467   53.593   27.435   41.133   20.678 12.46090 34.35513 
1 1 1   -3   29   37 o   60.185   26.933   11.658   8.6295  -0.7712   21.473   14.052   9.4240   51.634   26.404   62.515   28.048 -10.88117 38.52101 
1 1 1   -3   30    1 o  224.954   21.012   70.987   12.102   52.794   17.223   88.731   17.009  178.626   38.367  245.633   27.188 -67.00705 47.02362 
1 1 1   -3   30    2 f  197.061   24.430   56.051   12.203   57.723   18.138   54.668   16.494  186.448   38.818  184.410   35.821 2.038193 52.81976 
1 1 1   -3   30    3 o   69.487   31.134  -0.9277   11.570 -24.5501   17.576   17.136   15.370   64.002   31.358  104.514   40.241 -40.51154 51.01662 
1 1 1   -3   30    4 o  264.303   17.720   95.861   12.061   94.833   17.937   96.711   16.295  252.865   27.846  258.934   24.591 -6.069565 37.14988 
1 1 1   -3   30    5 o  231.649   21.814   75.941   12.935   87.048   19.502   67.217   17.284  236.478   32.713  206.825   33.400 29.65291 46.75163 
1 1 1   -3   30    6 o   95.332   34.176   13.960   10.718   17.297   15.539   10.932   14.804  104.133   40.359   92.751   38.197 11.38190 55.56820 
1 1 1   -3   30    7 o  178.198   26.736   47.253   11.960   49.343   17.491   45.417   16.391  168.383   40.580  162.626   39.339 5.756760 56.51844 
1 1 1   -3   30    8 f   84.261   33.311   9.2419   10.763 -14.9759   16.852   25.926   13.988   67.853   32.639  121.609   39.112 -53.75578 50.94236 
1 1 1   -3   30    9 o  230.465   19.795   74.603   11.702   74.661   17.468   74.556   15.762  217.976   31.880  222.151   28.015 -4.174667 42.43998 
1 1 1   -3   30   10 o   84.890   33.705   9.6921   11.063   10.370   17.687   9.2561   14.179   93.197   40.210   87.834   36.873 5.362831 54.55640 
1 1 1   -3   30   11 o  143.339   31.576   33.117   11.407   25.750   18.562   37.587   14.460  115.268   44.263  146.441   37.846 -31.17301 58.23698 
1 1 1   -3   30   12 o  159.390   38.389   44.999   15.661   40.520   23.496   48.580   21.009  132.657   50.069  151.468   47.852 -18.81099 69.25796 
1 1 1   -3   30   13 o   81.392   33.596   8.3707   11.485  -2.2520   14.429   26.740   18.974   71.867   33.177  114.193   44.502 -42.32551 55.50846 
1 1 1   -3   30   14 o  167.765   30.866   45.771   12.919   60.560   21.326   37.198   16.237  169.540   46.952  136.982   41.879 32.55759 62.91584 
1 1 1   -3   30   15 o  150.625   39.417   43.036   15.557   24.800   27.598   51.530   18.835  105.781   47.681  157.747   44.282 -51.96683 65.07217 
1 1 1   -3   30   16 o   79.482   34.144   7.7447   12.646   4.0763   15.951   13.950   20.746   78.763   35.801   92.890   41.650 -14.12701 54.92209 
1 1 1   -3   30   17 o   60.111   27.461  -1.1790   9.5351   10.503   14.069 -11.1039   12.968   83.872   36.021   58.435   28.239 25.43667 45.77078 
1 1 1   -3   30   18 o   59.462   28.080  -5.0778   11.339  -5.0778   11.339   0.0000   0.0000   59.462   28.080  ?   ?  0.000000 28.08031 
1 1 1   -3   30   19 o   91.816   34.935   16.419   11.497   39.570   19.326   3.7382   14.303  122.028   45.539   73.402   33.571 48.62561 56.57620 
1 1 1   -3   30   20 o   45.111   21.383  -5.0235   6.6913  -4.0040   19.086  -5.1664   7.1449   71.499   34.479   46.573   22.081 24.92589 40.94372 
1 1 1   -3   30   21 o   78.004   30.087   10.656   8.6038   28.320   21.510   7.2918   9.3874   98.231   43.318   71.151   29.942 27.07979 52.65905 
1 1 1   -3   30   22 o   88.371   31.105   15.062   8.8397   21.110   21.603   13.846   9.6879   89.312   40.998   84.316   32.072 4.995880 52.05209 
1 1 1   -3   30   23 o   56.889   25.485   1.4287   7.7490   20.170   19.391  -2.1331   8.4534   87.475   39.649   53.412   24.908 34.06231 46.82368 
1 1 1   -3   30   24 o   68.888   27.232   7.9158   7.1926   35.540   19.328   3.4754   7.7492  103.137   43.158   59.913   26.222 43.22432 50.49962 
1 1 1   -3   30   25 o   60.644   26.454   4.1808   7.8292 -18.2200   17.987   9.4169   8.6962   58.009   28.986   71.766   29.382 -13.75692 41.27360 
1 1 1   -3   30   26 o   55.121   25.184   1.1079   8.0219  -5.1240   16.494   3.0388   9.1810   61.778   30.290   59.918   27.207 1.859158 40.71509 
1 1 1   -3   30   27 o   62.562   27.179   6.0276   8.1935   27.730   19.650   1.4604   9.0145   84.469   38.895   56.517   26.137 27.95144 46.86158 
1 1 1   -3   30   28 o   48.553   22.920  -1.8047   7.5421 -13.9000   21.681  -0.1395   8.0445   59.381   29.958   51.758   24.191 7.622761 38.50576 
1 1 1   -3   30   29 o   61.813   29.334   5.3578   12.666   0.0000   0.0000   5.3578   12.666  ?   ?    61.813   29.334 0.000000 29.33416 
1 1 1   -3   30   30 o   57.865   29.333 -10.0900   22.360 -10.0900   22.360   0.0000   0.0000   57.865   29.333  ?   ?  0.000000 29.33285 
1 1 1   -3   30   31 o   57.614   26.215   5.7304   8.5812   26.030   18.758   0.3576   9.6502   72.171   34.643   52.135   24.979 20.03534 42.70937 
1 1 1   -3   30   32 o   45.738   22.346  -4.2533   8.7391   14.970   22.452  -7.6855   9.4872   62.735   31.496   44.483   22.029 18.25216 38.43501 
1 1 1   -3   30   33 o   40.884   20.456 -11.1122   9.0939  -5.5480   23.313 -12.1107   9.8763   55.120   28.131   41.829   20.984 13.29161 35.09566 
1 1 1   -3   30   34 o   55.377   25.524   6.7454   8.4899 -14.0500   19.061   11.892   9.4825   49.701   25.371   62.108   27.977 -12.40675 37.76773 
1 1 1   -3   30   35 f   69.861   29.718   18.053   9.4119   9.4880   23.256   19.731   10.292   54.652   27.909   69.888   30.412 -15.23644 41.27708 
1 1 1   -3   30   36 o   47.223   24.015  -5.2379   15.855   2.2000   24.959 -10.2700   20.529   50.839   26.135   47.738   24.510 3.101318 35.82948 
1 1 1   -3   31    1 o   94.558   39.129   13.043   15.637   13.043   15.637   0.0000   0.0000   94.558   39.129  ?   ?  0.000000 39.12915 
1 1 1   -3   31    2 o  206.542   22.480   61.790   11.833   56.651   17.754   65.897   15.872  179.577   39.263  204.349   30.955 -24.77170 49.99773 
1 1 1   -3   31    3 o  129.006   34.529   28.172   11.766   19.026   17.114   36.370   16.204  104.306   41.755  138.997   41.691 -34.69089 59.00529 
1 1 1   -3   31    4 o  183.193   24.958   49.995   11.535   42.943   17.579   55.327   15.287  149.695   43.039  184.136   33.274 -34.44115 54.40113 
1 1 1   -3   31    5 o  229.768   23.974   77.783   14.059   81.130   25.690   76.352   16.797  197.009   50.197  220.211   30.246 -23.20200 58.60535 
1 1 1   -3   31    6 o  221.314   24.108   72.475   13.597   71.030   23.870   73.169   16.543  184.245   49.120  214.692   30.615 -30.44667 57.87950 
1 1 1   -3   31    7 o  148.616   38.906   40.206   15.153   40.160   23.351   40.240   19.915  130.611   49.766  136.588   46.763 -5.977707 68.28955 
1 1 1   -3   31    8 o   82.032   35.885   6.4554   14.498   1.9310   21.497   10.230   19.635   85.808   39.917   91.792   40.883 -5.983803 57.13815 
1 1 1   -3   31    9 o  228.573   24.748   78.662   14.419   99.631   19.183   51.430   21.861  249.125   30.355  150.033   48.949 99.09138 57.59732 
1 1 1   -3   31   10 o  167.495   30.952   46.038   12.934   49.092   17.086   41.940   19.795  159.487   41.101  136.288   46.622 23.19901 62.15198 
1 1 1   -3   31   11 o  104.134   35.149   19.769   11.249   31.468   17.084   10.814   14.948  120.671   43.159   86.752   37.190 33.91972 56.97163 
1 1 1   -3   31   12 o  109.311   36.656   22.844   12.234   0.0277   27.012   28.733   13.723   86.032   41.369  120.320   38.745 -34.28728 56.67926 
1 1 1   -3   31   13 o   98.266   39.632   19.565   15.544 -15.1700   24.649   42.500   20.029   74.844   36.764  130.959   46.743 -56.11436 59.46826 
1 1 1   -3   31   14 o   74.246   31.738   6.7567   10.831 -12.5688   13.747   38.390   17.588   58.676   28.524  127.702   43.936 -69.02591 52.38277 
1 1 1   -3   31   15 o   82.810   32.775   11.850   10.430   16.986   15.952   8.0149   13.786   91.567   38.809   78.409   34.622 13.15741 52.00825 
1 1 1   -3   31   16 o   59.959   26.776   1.3012   8.4820  -5.0189   13.273   5.6638   11.028   62.665   29.823   71.339   31.250 -8.673370 43.19664 
1 1 1   -3   31   17 o   81.165   31.653   11.861   9.6045   11.165   13.860   12.503   13.321   80.753   35.213   82.559   35.243 -1.806252 49.81964 
1 1 1   -3   31   18 o   67.734   29.444   5.3864   9.6282 -13.8920   13.721   24.089   13.514   55.793   27.411  101.765   38.061 -45.97195 46.90388 
1 1 1   -3   31   19 o   76.980   30.590   10.674   9.1199   4.8058   12.689   16.943   13.116   69.847   31.819   87.530   35.989 -17.68311 48.03848 
1 1 1   -3   31   20 o   98.841   35.798   22.259   11.796   16.450   19.672   25.520   14.740   83.515   38.619   99.018   39.034 -15.50235 54.90949 
1 1 1   -3   31   21 o  114.443   29.076   24.318   8.6368   47.790   18.521   17.796   9.7633  125.152   44.919   91.590   32.641 33.56223 55.52566 
1 1 1   -3   31   22 o   38.145   18.883 -11.6552   6.9450 -14.0700   16.204 -11.1118   7.6869   57.676   28.603   41.122   20.264 16.55349 35.05329 
1 1 1   -3   31   23 o   53.604   24.192   1.2155   7.1296 -14.6700   16.587   4.8155   7.8962   57.106   28.423   61.340   26.665 -4.234245 38.97257 
1 1 1   -3   31   24 o   57.185   25.752   2.7404   8.0276   6.5680   17.186   1.6722   9.0789   69.119   33.174   57.335   26.415 11.78437 42.40542 
1 1 1   -3   31   25 o   48.425   23.070  -3.1553   7.9856  -0.1760   17.372  -3.9536   8.9921   63.258   31.030   49.887   23.957 13.37111 39.20244 
1 1 1   -3   31   26 o   73.276   29.022   12.068   8.1838   19.160   20.324   10.695   8.9406   73.292   35.402   69.549   29.242 3.742996 45.91774 
1 1 1   -3   31   27 o   64.805   27.585   8.8200   8.1192   7.0020   23.282   9.0717   8.6631   64.863   32.494   65.113   28.117 -0.2501068 42.96994 
1 1 1   -3   31   28 o   52.256   26.262 -11.4800   15.816   0.0000   0.0000 -11.4800   15.816  ?   ?    52.256   26.262 0.000000 26.26196 
1 1 1   -3   31   29 o   79.312   33.220   21.784   11.467  -3.4370   22.924   30.200   13.242   57.867   29.373   87.472   36.087 -29.60500 46.52968 
1 1 1   -3   31   30 o   53.504   24.577   4.2290   7.7808  -4.2830   18.436   6.0737   8.5826   54.548   27.533   56.553   25.916 -2.004971 37.81159 
1 1 1   -3   31   31 o   47.703   22.628   0.7013   7.5196  -4.5260   20.590   1.5058   8.0775   54.071   27.485   49.385   23.433 4.685726 36.11839 
1 1 1   -3   31   32 o   62.286   27.343   11.359   8.4823  -9.8820   23.557   14.523   9.0922   52.305   26.814   66.720   28.808 -14.41550 39.35551 
1 1 1   -3   31   33 o   50.836   23.822   4.5788   7.8881  -6.4070   22.345   6.1428   8.4309   51.042   26.163   52.939   24.750 -1.897110 36.01485 
1 1 1   -3   31   34 o   61.154   26.218   11.824   7.4293  -2.8790   18.053   14.822   8.1515   48.921   24.948   65.086   27.671 -16.16469 37.25704 
1 1 1   -3   32    1 o  112.497   37.026   23.951   12.498   5.4659   16.345   49.970   19.392   81.347   36.679  151.437   45.651 -70.08963 58.56070 
1 1 1   -3   32    2 o  137.128   49.288   47.070   22.307   0.0000   0.0000   47.070   22.307  ?   ?   137.128   49.288 0.000000 49.28766 
1 1 1   -3   32    3 f  165.413   32.895   46.738   13.598   62.507   17.786   24.550   21.098  183.628   38.617  105.413   44.652 78.21526 59.03468 
1 1 1   -3   32    4 o  163.211   31.076   44.485   12.658   45.590   15.737   42.460   21.305  154.112   39.300  130.707   47.992 23.40527 62.02972 
1 1 1   -3   32    5 o  196.103   23.599   58.273   11.747   62.652   17.513   54.691   15.838  183.914   38.017  173.831   36.344 10.08363 52.59470 
1 1 1   -3   32    6 o  145.436   29.988   35.262   10.922   23.512   15.960   45.612   14.979  105.406   40.887  155.846   37.549 -50.43939 55.51311 
1 1 1   -3   32    7 o  105.939   33.426   20.505   10.254   13.196   15.290   26.480   13.823   88.470   37.761  113.616   38.959 -25.14612 54.25595 
1 1 1   -3   32    8 o   89.702   35.400   14.625   12.136   26.140   24.250   10.778   14.017  102.213   45.486   83.747   35.961 18.46600 57.98432 
1 1 1   -3   32    9 o   99.410   40.483   21.628   16.397   17.600   24.328   24.980   22.195   93.499   43.134  100.666   44.210 -7.167961 61.76597 
1 1 1   -3   32   10 o  121.288   39.209   31.377   14.043   30.000   20.707   32.550   19.109  106.304   44.589  112.073   44.360 -5.769386 62.89696 
1 1 1   -3   32   11 o   86.943   35.407   14.316   12.544   16.449   15.522   10.300   21.298   89.952   38.212   84.637   39.492 5.315865 54.95233 
1 1 1   -3   32   12 o  107.378   38.341   25.611   13.478   25.611   13.478   0.0000   0.0000  107.378   38.341  ?   ?  0.000000 38.34109 
1 1 1   -3   32   13 o   84.561   32.211   13.477   9.7810   12.653   14.343   14.194   13.373   82.638   35.931   84.884   35.730 -2.245430 50.67214 
1 1 1   -3   32   14 o  100.361   33.132   20.200   10.005   13.016   15.048   25.891   13.394   82.247   36.252  105.584   38.160 -23.33659 52.63473 
1 1 1   -3   32   15 o  149.416   26.481   37.739   9.8737   44.467   14.787   32.326   13.264  141.281   39.087  119.225   38.059 22.05637 54.55575 
1 1 1   -3   32   16 o   67.283   28.421   6.4993   8.5095   2.6175   14.634   8.4821   10.459   68.826   32.314   72.426   31.081 -3.599800 44.83568 
1 1 1   -3   32   17 o   44.032   21.386  -8.1837   7.6834  -8.6605   13.531  -7.9568   9.3344   57.505   28.031   49.076   23.775 8.428894 36.75573 
1 1 1   -3   32   18 o   51.742   24.355  -2.7754   8.4055  -9.3326   11.363   5.1492   12.491   52.428   25.585   67.951   31.186 -15.52310 40.33850 
1 1 1   -3   32   19 o   64.631   28.071   5.8430   8.7358  -1.1279   11.589   15.017   13.295   59.445   28.166   80.079   34.705 -20.63435 44.69654 
1 1 1   -3   32   20 o   52.502   24.926  -2.9575   9.1641  -8.4070   15.555  -0.0605   11.341   58.911   28.991   59.480   28.087 -0.5687485 40.36494 
1 1 1   -3   32   21 o   47.501   22.324  -2.2977   7.0140   13.400   15.686  -6.2205   7.8416   74.669   34.513   45.321   21.915 29.34789 40.88342 
1 1 1   -3   32   22 o   50.694   23.778  -1.1690   7.8907  -9.8910   16.322   1.4912   9.0141   57.276   28.455   56.253   26.058 1.022415 38.58400 
1 1 1   -3   32   23 o   45.473   22.000  -5.3775   7.9260   13.580   17.277 -10.4307   8.9200   71.057   33.874   43.701   21.590 27.35601 40.16931 
1 1 1   -3   32   24 o   62.816   26.992   7.5418   7.9066   64.900   19.067  -4.3693   8.6888  125.841   45.523   47.615   23.035 78.22623 51.01917 
1 1 1   -3   32   25 o   53.956   24.944   2.6642   8.1997 -43.4800   19.916   12.083   8.9977   47.571   24.405   69.603   29.304 -22.03257 38.13574 
1 1 1   -3   32   26 o   44.652   22.224 -10.2159   10.141   0.0000   0.0000 -10.2159   10.141  ?   ?    44.652   22.224 0.000000 22.22420 
1 1 1   -3   32   27 o   53.236   27.203 -17.4900   22.416 -17.4900   22.416   0.0000   0.0000   53.236   27.203  ?   ?  0.000000 27.20338 
1 1 1   -3   32   28 o   47.304   23.378  -4.7363   10.487   4.1480   22.842  -7.1093   11.805   57.488   29.195   47.523   23.705 9.965954 37.60662 
1 1 1   -3   32   29 o   55.791   25.811   6.7769   8.8025   19.140   20.519   3.9885   9.7447   61.046   30.571   52.863   25.266 8.183025 39.66054 
1 1 1   -3   32   30 o   54.027   24.770   6.2991   7.8524   17.240   17.074   3.3642   8.8431   59.874   29.633   50.706   24.189 9.167828 38.25269 
1 1 1   -3   32   31 o   65.031   28.040   14.432   8.5901   37.110   23.185   10.823   9.2483   61.622   31.075   58.221   26.762 3.400700 41.01046 
1 1 1   -3   32   32 o   53.073   25.142   8.0140   9.2236 -32.1700   23.115   15.624   10.059   45.171   23.308   61.281   28.073 -16.10986 36.48844 
1 1 1   -3   32   33 o   56.669   26.058   12.265   8.7780   2.7130   19.609   14.659   9.8165   48.565   24.865   57.956   26.965 -9.391125 36.67985 
1 1 1   -3   33    1 o  158.811   28.557   42.543   11.315   28.690   19.351   49.740   13.949  104.144   43.348  164.290   33.902 -60.14619 55.03050 
1 1 1   -3   33    2 o   43.345   21.815 -26.1520   11.115   10.030   22.174 -38.2959   12.846   84.314   39.647   42.718   21.714 41.59666 45.20384 
1 1 1   -3   33    3 o   61.500   28.599  -1.6323   11.019  -2.7560   19.743  -1.1240   13.279   73.323   35.285   66.218   30.991 7.104996 46.96262 
1 1 1   -3   33    4 o  135.703   40.905   41.306   15.570   45.550   23.241   37.850   20.972  118.883   48.280  113.138   45.892 5.745003 66.61079 
1 1 1   -3   33    5 o  172.575   36.999   58.762   16.043   50.160   24.339   65.370   21.332  121.400   49.367  157.719   47.956 -36.31917 68.82496 
1 1 1   -3   33    6 o  151.260   29.588   39.932   11.178   32.510   13.622   55.230   19.556  121.517   38.547  145.498   46.190 -23.98122 60.16119 
1 1 1   -3   33    7 o  105.820   35.961   23.877   11.776   25.742   14.696   20.530   19.684  103.286   39.451   91.011   40.705 12.27529 56.68573 
1 1 1   -3   33    8 o   80.492   30.488   11.851   8.7316   6.3763   13.507   15.781   11.444   73.229   33.151   87.579   34.436 -14.34975 47.79963 
1 1 1   -3   33    9 o   78.579   31.088   11.310   9.3804   2.3616   13.348   20.042   13.185   68.064   31.593   93.365   36.882 -25.30074 48.56340 
1 1 1   -3   33   10 o   95.291   32.467   18.428   9.5992   14.065   14.514   21.820   12.798   82.203   35.934   96.593   36.833 -14.38960 51.45839 
1 1 1   -3   33   11 f  113.545   32.749   25.906   10.164   19.517   15.564   30.655   13.420   88.351   37.914  112.979   38.389 -24.62788 53.95554 
1 1 1   -3   33   12 o   57.553   26.565   0.0033   9.2450 -11.4553   14.253   8.3265   12.147   56.923   27.960   72.474   32.225 -15.55157 42.66421 
1 1 1   -3   33   13 f  127.687   28.078   29.454   9.0341   27.952   12.555   31.065   13.009  107.478   37.114  113.012   37.799 -5.534569 52.97368 
1 1 1   -3   33   14 o  109.401   32.563   25.031   9.9130   26.266   14.742   24.012   13.393   96.616   38.726   95.549   37.347 1.067307 53.79990 
1 1 1   -3   33   15 o  131.835   27.736   31.657   9.1716   44.155   14.425   23.177   11.883  133.960   39.124   96.561   35.773 37.39898 53.01355 
1 1 1   -3   33   16 o   44.327   21.439  -6.5857   7.5151 -11.0950   10.959  -2.5824   10.326   49.412   24.319   55.224   26.287 -5.811211 35.81136 
1 1 1   -3   33   17 o   70.663   29.055   9.6995   8.5488   4.6473   12.700   13.886   11.560   65.150   30.432   77.064   32.862 -11.91373 44.78844 
1 1 1   -3   33   18 o   79.564   30.118   13.888   8.5172   17.888   12.338   10.246   11.772   81.688   34.349   70.505   31.510 11.18280 46.61296 
1 1 1   -3   33   19 o   82.792   29.296   14.908   7.8518   16.300   9.8870   12.532   12.920   81.409   32.008   72.146   32.563 9.263260 45.66034 
1 1 1   -3   33   20 o   62.784   26.780   7.0736   7.6811   6.0659   9.6469   8.8189   12.696   62.041   28.057   66.548   30.861 -4.506676 41.70885 
1 1 1   -3   33   21 o   68.522   29.839   11.030   9.9228   37.720   16.918  -2.9670   12.252   93.772   39.865   54.555   26.611 39.21645 47.93077 
1 1 1   -3   33   22 o   80.119   29.331   15.555   7.9495  -0.7421   16.996   20.119   8.9939   58.709   29.145   88.344   31.345 -29.63432 42.80111 
1 1 1   -3   33   23 o   46.451   22.206  -1.8679   7.5345   1.0460   17.461  -2.5346   8.3521   58.349   29.061   47.354   22.829 10.99577 36.95540 
1 1 1   -3   33   24 o   38.919   19.561 -14.2882   8.7865   0.0000   0.0000 -14.2882   8.7865  ?   ?    38.919   19.561 0.000000 19.56122 
1 1 1   -3   33   25 o   61.598   28.888   11.137   11.639  -0.4430   22.615   15.310   13.575   56.401   28.683   64.435   30.517 -8.033669 41.88106 
1 1 1   -3   33   26 o   64.048   29.426   14.342   11.162   21.240   22.668   12.134   12.824   61.218   30.853   60.447   28.917 0.7715416 42.28566 
1 1 1   -3   33   27 o   39.680   19.862  -9.9517   8.6143  -8.9150   22.308 -10.1334   9.3387   51.725   26.486   40.933   20.517 10.79212 33.50293 
1 1 1   -3   33   28 o   47.777   23.210   0.9033   9.0608   2.8840   22.099   0.5030   9.9342   53.137   27.141   48.187   23.602 4.950508 35.96791 
1 1 1   -3   33   29 o   43.715   21.488  -2.1296   8.4654   6.8900   18.294  -4.5872   9.5494   52.564   26.634   43.340   21.570 9.223404 34.27292 
1 1 1   -3   33   30 o   54.675   25.262   9.4042   8.3917 -28.6900   20.439   17.128   9.2032   43.909   22.625   64.724   28.445 -20.81493 36.34595 
1 1 1   -3   33   31 o   43.960   21.704   0.1483   8.9651   50.790   23.408  -8.5571   9.7052   58.611   29.743   39.527   19.954 19.08412 35.81636 
1 1 1   -3   33   32 o   39.928   20.060  -4.5778   9.1903   44.550   23.144 -13.7746   10.014   54.127   27.657   36.726   18.716 17.40108 33.39456 
1 1 1   -3   34    1 o   74.963   30.673   10.315   9.4694   16.282   13.799   5.0037   13.019   84.065   35.877   69.097   31.758 14.96761 47.91393 
1 1 1   -3   34    2 o   90.826   32.426   17.296   9.6398   9.3675   13.860   24.725   13.416   74.644   33.705   99.146   37.735 -24.50188 50.59592 
1 1 1   -3   34    3 o  136.738   28.728   33.821   9.8518   44.209   15.714   27.093   12.646  131.584   41.361  106.082   37.212 25.50182 55.63686 
1 1 1   -3   34    4 o   52.766   25.274  -5.2994   9.8651   7.0297   14.669 -15.4802   13.330   72.076   33.336   52.609   26.064 19.46666 42.31545 
1 1 1   -3   34    5 o   74.358   30.525   10.329   9.4166   6.8803   13.786   13.345   12.893   71.089   32.677   79.111   34.231 -8.021797 47.32343 
1 1 1   -3   34    6 o   53.163   25.052  -2.6332   8.9386  -8.2616   12.654   2.9732   12.629   55.706   27.144   65.576   30.535 -9.870052 40.85592 
1 1 1   -3   34    7 o   95.348   32.693   19.723   9.7339   9.8876   14.128   28.612   13.430   73.874   33.623  104.714   38.156 -30.83962 50.85630 
1 1 1   -3   34    8 f  112.215   29.220   24.067   8.5770   22.702   11.977   25.504   12.289   95.688   35.822  100.937   36.541 -5.248695 51.17086 
1 1 1   -3   34    9 o   52.247   24.913  -3.8267   9.3575  -4.2097   13.830  -3.5033   12.708   59.764   28.949   58.711   28.267 1.052399 40.46084 
1 1 1   -3   34   10 o   68.504   29.392   8.1729   9.3506  -7.4385   14.577   19.088   12.189   58.222   28.533   86.594   35.035 -28.37178 45.18345 
1 1 1   -3   34   11 o   98.797   30.632   20.391   8.6522   22.530   13.155   18.761   11.486   90.276   36.442   86.494   34.343 3.782257 50.07402 
1 1 1   -3   34   12 o  123.299   30.597   30.643   9.7257   22.011   13.715   39.375   13.794   87.420   36.449  122.121   38.795 -34.70126 53.23097 
1 1 1   -3   34   13 o   83.953   30.626   15.640   8.6561   7.3786   12.647   22.921   11.873   67.338   31.077   92.319   35.412 -24.98055 47.11487 
1 1 1   -3   34   14 o   71.130   29.106   10.501   8.5273  -3.3175   11.523   27.228   12.678   55.220   26.669   97.427   36.777 -42.20694 45.42947 
1 1 1   -3   34   15 f   50.276   23.824  -1.9526   8.2948   7.9068   12.058 -10.8089   11.428   66.261   30.495   49.139   24.307 17.12165 38.99713 
1 1 1   -3   34   16 o   41.801   20.534  -8.5784   7.6931  -8.3868   11.783  -8.7207   10.156   50.893   25.081   47.655   23.446 3.237816 34.33330 
1 1 1   -3   34   17 o   61.066   26.702   6.4747   8.0196   11.202   10.877   0.8453   11.870   68.658   30.513   57.396   27.553 11.26213 41.11260 
1 1 1   -3   34   18 o   53.654   24.944   1.9208   8.3735   1.9753   11.695   1.8635   11.994   57.386   27.496   57.541   27.642 -0.1551933 38.98857 
1 1 1   -3   34   19 o   68.316   28.612   11.358   8.5054   6.2527   11.947   16.605   12.112   60.483   28.641   72.453   32.199 -11.97001 43.09378 
1 1 1   -3   34   20 o   50.662   23.803   1.1898   7.9645  -3.0676   11.331   5.3469   11.197   51.144   25.083   58.112   27.579 -6.967861 37.27913 
1 1 1   -3   34   21 o   50.072   24.316  -1.1382   9.9213 -10.0300   16.675   3.7344   12.344   51.722   26.116   56.033   27.190 -4.310337 37.70076 
1 1 1   -3   34   22 o   48.177   23.511  -1.9309   9.5962   0.0000   0.0000  -1.9309   9.5962  ?   ?    48.177   23.511 0.000000 23.51090 
1 1 1   -3   34   23 o   54.641   26.680   5.0087   12.403  -1.7130   19.512   9.5660   16.066   53.692   27.238   57.682   28.584 -3.990047 39.48307 
1 1 1   -3   34   24 o   43.287   21.680  -8.6094   10.334 -13.9100   20.398  -6.7792   11.986   49.691   25.436   46.278   23.203 3.413319 34.42879 
1 1 1   -3   34   25 o   59.555   26.588   10.771   8.3571 -11.3800   21.999   14.507   9.0344   49.846   25.578   64.528   28.275 -14.68188 38.12792 
1 1 1   -3   34   26 o   47.454   22.981   1.8429   8.7041  -7.6680   22.478   3.5205   9.4405   49.677   25.513   49.433   23.938 0.2437592 34.98469 
1 1 1   -3   34   27 o   40.605   20.125  -4.4382   7.9783 -25.6400   22.041  -1.2415   8.5586   45.440   23.418   43.859   21.568 1.580593 31.83661 
1 1 1   -3   34   28 o   40.026   19.907  -4.4932   8.0748  -8.6940   20.572  -3.7281   8.7794   46.642   23.972   41.501   20.660 5.140408 31.64594 
1 1 1   -3   34   29 o   40.977   20.273  -1.8454   7.9626  -7.3210   18.048  -0.5219   8.8728   44.852   23.025   42.842   21.232 2.010464 31.32015 
1 1 1   -3   34   30 o   38.071   19.081  -4.8846   8.0727   7.9260   21.761  -6.9289   8.6930   46.596   23.977   37.716   19.021 8.880154 30.60535 
1 1 1   -3   35    1 o  157.803   24.237   43.054   9.5904   38.646   12.851   48.595   14.407  125.269   37.027  139.401   38.587 -14.13184 53.47869 
1 1 1   -3   35    2 o   77.954   31.350   13.786   9.6965   19.403   13.829   8.3553   13.599   82.611   35.599   68.977   31.971 13.63413 47.84821 
1 1 1   -3   35    3 o   86.066   31.483   16.905   9.1561   24.867   12.692   8.2646   13.222   94.023   36.465   68.620   31.706 25.40367 48.32143 
1 1 1   -3   35    4 o   91.100   32.736   19.762   9.8397 -11.3683   14.958   43.508   13.064   55.254   27.415  135.266   36.459 -80.01151 45.61661 
1 1 1   -3   35    5 o   83.846   32.222   16.863   9.8416   11.910   14.893   20.702   13.112   72.185   33.458   84.870   35.534 -12.68449 48.80665 
1 1 1   -3   35    6 o   61.803   27.535   5.3845   8.9143   12.070   12.641  -1.2290   12.573   72.359   32.473   58.483   28.147 13.87654 42.97418 
1 1 1   -3   35    7 o   48.370   23.401  -5.4869   8.9672 -10.7585   12.808  -0.4182   12.559   51.897   25.682   58.899   28.292 -7.002209 38.20986 
1 1 1   -3   35    8 o   63.541   27.695   6.8720   8.5650  -9.7199   12.300   22.491   11.934   51.486   25.420   89.192   35.135 -37.70620 43.36642 
1 1 1   -3   35    9 o   78.048   30.501   14.255   8.9323   13.915   12.572   14.602   12.694   73.445   32.712   74.294   32.993 -0.8489075 46.46099 
1 1 1   -3   35   10 o   98.719   30.373   21.573   8.5251   7.8987   12.250   34.416   11.872   65.571   30.375  115.108   35.912 -49.53717 47.03582 
1 1 1   -3   35   11 o   75.751   28.309   12.621   7.4731   4.5524   9.7501   24.112   11.635   59.706   27.458   90.876   35.006 -31.16991 44.48980 
1 1 1   -3   35   12 o   54.135   25.204   1.5999   8.5996   8.6316   11.789  -6.3982   12.573   65.081   30.025   52.734   25.972 12.34720 39.69941 
1 1 1   -3   35   13 o   83.536   30.928   17.648   8.8793   18.028   12.412   17.250   12.707   76.066   33.241   74.564   33.067 1.501709 46.88700 
1 1 1   -3   35   14 o   50.092   23.437   0.4232   7.5840 -11.7941   10.842   12.127   10.612   45.782   22.818   68.349   30.269 -22.56720 37.90554 
1 1 1   -3   35   15 o   69.540   28.546   11.904   8.2348   12.810   11.734   11.024   11.560   67.449   30.677   65.341   29.993 2.108307 42.90259 
1 1 1   -3   35   16 o   80.397   30.281   17.410   8.5833   19.678   12.590   15.440   11.732   73.998   32.860   69.586   31.253 4.411316 45.34849 
1 1 1   -3   35   17 o   62.764   27.205   9.5255   8.1714   10.562   12.282   8.7023   10.945   62.224   29.336   60.543   28.270 1.680771 40.74056 
1 1 1   -3   35   18 o   84.140   30.022   19.493   8.2620   19.315   11.210   19.705   12.224   72.824   31.714   71.170   31.937 1.654022 45.00823 
1 1 1   -3   35   19 o   46.219   22.487  -2.0253   8.5922   9.6484   11.876 -14.8463   12.446   58.865   28.068   44.122   22.312 14.74308 35.85538 
1 1 1   -3   35   20 o   77.324   32.100   23.051   10.572   17.110   16.606   27.101   13.709   60.728   29.898   72.782   33.124 -12.05377 44.62140 
1 1 1   -3   35   21 o   41.184   20.848 -14.3854   11.044 -11.6200   15.379 -17.3300   15.869   46.860   23.813   45.489   23.215 1.370640 33.25679 
1 1 1   -3   35   22 o   83.137   35.284   37.050   13.214   40.180   18.273   33.620   19.130   68.795   33.312   63.699   31.498 5.096336 45.84518 
1 1 1   -3   35   23 o   51.817   24.372   6.4342   8.3871 -12.5100   18.402   11.401   9.4227   46.767   23.956   57.334   26.588 -10.56700 35.78839 
1 1 1   -3   35   24 o   39.534   19.636  -5.1546   7.7539  -0.7057   20.911  -5.8639   8.3491   49.255   25.251   40.019   19.958 9.235931 32.18556 
1 1 1   -3   35   25 o   45.291   22.103   1.6968   8.4806   2.8500   22.079   1.4972   9.1852   48.982   25.161   45.578   22.399 3.403938 33.68693 
1 1 1   -3   35   26 o   49.273   23.783   7.0363   9.1305   22.170   23.147   4.2478   9.9362   51.172   26.257   46.945   23.115 4.227333 34.98183 
1 1 1   -3   35   27 o   33.832   17.239 -15.0166   8.4735   9.7760   21.976 -19.3464   9.1837   47.459   24.404   33.425   17.106 14.03439 29.80226 
1 1 1   -3   35   28 o   47.517   22.926   7.8488   8.4644   13.980   20.444   6.5804   9.2989   46.680   23.992   46.080   22.624 0.5998459 32.97647 
1 1 1   -3   35   29 o   41.275   20.811   0.9694   10.379   11.220   19.065  -3.3478   12.373   44.508   22.878   40.313   20.567 4.194889 30.76348 
1 1 1   -3   36    1 o   76.124   31.907   15.941   10.591   22.004   12.984   3.8860   18.308   81.621   34.817   62.968   31.075 18.65348 46.66805 
1 1 1   -3   36    2 o   81.402   31.958   17.822   9.8422   20.042   12.934   14.770   15.169   78.620   34.152   70.268   32.962 8.351990 47.46419 
1 1 1   -3   36    3 o   60.370   26.987   6.1878   8.6401   23.775   12.667  -9.1136   11.815   84.887   35.180   49.567   24.553 35.32012 42.90083 
1 1 1   -3   36    4 o  149.400   26.407   42.954   9.8453   30.313   14.613   53.463   13.323   89.259   37.449  147.516   35.333 -58.25657 51.48669 
1 1 1   -3   36    5 o  125.585   27.283   31.456   8.6214   33.407   13.059   29.949   11.478  100.725   37.465  101.579   35.463 -0.8541946 51.58717 
1 1 1   -3   36    6 o   67.232   28.681   10.539   8.8125   11.766   12.250   9.2236   12.687   67.226   30.864   64.384   30.184 2.842018 43.17014 
1 1 1   -3   36    7 o  154.430   25.742   45.765   9.9347   25.763   13.693   67.993   14.436   83.166   35.623  169.025   34.146 -85.85883 49.34517 
1 1 1   -3   36    8 o   63.981   27.673   9.0776   8.4196   2.2969   11.983   15.688   11.832   56.923   27.417   71.525   31.804 -14.60217 41.99038 
1 1 1   -3   36    9 o   73.675   28.591   13.399   7.8064   24.987   10.695   0.1859   11.421   90.754   33.875   54.282   26.297 36.47168 42.88407 
1 1 1   -3   36   10 o   59.495   26.753   7.0006   8.6271   8.7998   12.264   5.2380   12.139   61.912   29.227   58.577   28.052 3.335079 40.51055 
1 1 1   -3   36   11 o   48.077   22.944  -0.7857   7.9713 -13.0790   11.786   9.5783   10.822   45.537   22.856   62.239   28.732 -16.70182 36.71391 
1 1 1   -3   36   12 o   59.540   26.245   7.7202   7.8881  -0.6357   10.606   18.066   11.801   51.351   24.984   71.365   31.746 -20.01398 40.39794 
1 1 1   -3   36   13 o   72.244   29.204   14.931   8.4614   22.304   12.626   8.9198   11.400   74.155   32.919   59.753   28.199 14.40223 43.34553 
1 1 1   -3   36   14 f   43.165   21.064  -3.9303   7.7009  -0.5346   11.945  -6.3457   10.074   51.367   25.302   45.417   22.528 5.949200 33.87809 
1 1 1   -3   36   15 o   65.076   27.134   11.697   7.6016   4.8612   10.408   19.514   11.129   53.882   25.849   70.729   31.176 -16.84661 40.49781 
1 1 1   -3   36   16 o   51.190   24.189   3.8978   8.4376   2.8524   11.527   5.1044   12.384   51.843   25.399   53.721   26.321 -1.878891 36.57759 
1 1 1   -3   36   17 o   44.637   22.179  -4.6457   9.9291  -5.2500   16.305  -4.2896   12.518   49.427   25.055   47.441   23.775 1.986012 34.53979 
1 1 1   -3   36   18 o   38.939   19.838 -19.2230   11.186 -19.7400   15.699 -18.6900   15.942   43.903   22.461   44.383   22.701 -0.4798317 31.93455 
1 1 1   -3   36   19 o   51.857   25.581   6.6636   12.356   20.740   18.182  -5.4160   16.843   57.034   28.593   47.924   24.409 9.109524 37.59443 
1 1 1   -3   36   20 o   45.574   23.026  -4.4756   13.082   7.5460   17.281 -20.6100   20.020   51.188   25.931   45.098   23.195 6.089859 34.79084 
1 1 1   -3   36   21 o   44.613   21.689   1.2517   7.9507   4.8975   9.9117  -5.3277   13.315   48.675   23.785   44.679   22.647 3.996204 32.84231 
1 1 1   -3   36   22 f   46.812   23.116   3.3772   10.181   30.640   17.597 -10.3399   12.482   57.543   28.740   41.601   21.171 15.94166 35.69643 
1 1 1   -3   36   23 o   40.596   20.172  -2.5221   8.2147  -2.6280   17.053  -2.4901   9.3740   45.407   23.244   41.792   20.889 3.614712 31.25119 
1 1 1   -3   36   24 o   45.730   22.046   4.7463   7.7890   2.6530   20.492   5.0998   8.4211   45.932   23.617   46.091   22.387 -0.1587868 32.54111 
1 1 1   -3   36   25 o   37.634   18.959  -5.6465   8.5073 -16.5300   21.408  -3.6056   9.2707   42.013   21.707   39.523   19.895 2.489639 29.44461 
1 1 1   -3   36   26 o   46.318   22.590   8.2679   8.8217   26.310   22.928   5.1330   9.5574   46.658   24.038   43.744   21.740 2.913021 32.41061 
1 1 1   -3   36   27 o   40.329   20.119   2.0758   8.5126 -26.8000   22.600   6.8502   9.1895   38.841   20.151   43.539   21.583 -4.698181 29.52768 
1 1 1   -3   37    1 o   81.947   30.702   19.255   8.8011   25.634   13.013   13.877   11.948   78.688   34.219   65.417   30.196 13.27134 45.63694 
1 1 1   -3   37    2 o   62.716   28.181   10.434   9.5516   0.7923   11.389   33.300   17.539   52.893   25.768   76.009   35.587 -23.11638 43.93720 
1 1 1   -3   37    3 o   47.884   23.351  -2.5788   9.4160 -10.2485   11.062   17.590   17.939   45.201   22.608   64.225   31.510 -19.02349 38.78189 
1 1 1   -3   37    4 o   45.352   22.072  -3.2521   8.2936   9.8520   12.361 -13.9806   11.185   60.479   28.782   43.365   21.832 17.11411 36.12490 
1 1 1   -3   37    5 f   84.935   30.302   20.117   8.4165   16.112   12.086   23.887   11.727   66.837   30.675   78.598   33.292 -11.76086 45.26961 
1 1 1   -3   37    6 f   48.595   23.245   0.3964   8.2818  -1.5590   11.392   2.5884   12.061   50.405   24.806   53.831   26.290 -3.425652 36.14502 
1 1 1   -3   37    7 o   46.389   22.267  -0.7028   7.7476  -5.2622   11.072   3.6715   10.845   47.362   23.514   53.687   25.915 -6.325001 34.99322 
1 1 1   -3   37    8 o   44.556   21.599  -2.2089   7.7376  -6.2460   11.265   1.3971   10.646   46.693   23.270   51.262   24.961 -4.568394 34.12513 
1 1 1   -3   37    9 f   49.555   23.538   2.2144   8.1908   4.3925   11.150  -0.3385   12.072   53.489   25.930   50.610   25.025 2.879128 36.03595 
1 1 1   -3   37   10 o   56.097   25.803   7.6872   8.6164   12.820   12.283   2.7146   12.090   59.940   28.571   52.052   25.604 7.887573 38.36472 
1 1 1   -3   37   11 o   34.529   17.497 -16.0151   7.9056 -15.6494   11.746 -16.3180   10.689   41.739   21.169   39.894   20.229 1.845203 29.28067 
1 1 1   -3   37   12 o   59.081   25.803   9.8402   7.4690   11.351   10.641   8.3733   10.486   57.944   27.314   54.998   26.265 2.946484 37.89363 
1 1 1   -3   37   13 o   43.429   21.458  -3.3280   8.8182  -4.1010   14.619  -2.8859   11.056   48.007   24.265   46.145   23.005 1.861923 33.43704 
1 1 1   -3   37   14 o   39.219   19.940 -16.0956   10.883  -4.5680   15.523 -27.2400   15.262   47.625   24.174   41.060   21.084 6.564831 32.07660 
1 1 1   -3   37   15 o   54.159   25.746   9.7410   9.8381   8.7621   12.167   11.590   16.722   52.422   25.766   52.893   26.637 -0.4704781 37.05956 
1 1 1   -3   37   16 o   41.727   21.223 -11.8658   12.404 -18.1800   18.779  -6.9780   16.522   44.438   22.838   45.966   23.478 -1.528355 32.75322 
1 1 1   -3   37   17 o   54.395   26.988   17.197   14.490   11.620   20.386   22.890   20.598   50.439   25.787   53.255   27.111 -2.816818 37.41685 
1 1 1   -3   37   18 o   44.599   22.291   0.1069   10.671   4.2087   12.573 -10.4600   20.180   47.346   23.742   45.084   23.193 2.261799 33.19038 
1 1 1   -3   37   19 o   33.615   17.165 -17.5458   8.7817 -12.3036   12.347 -22.9133   12.493   40.035   20.436   37.126   19.065 2.908840 27.94796 
1 1 1   -3   37   20 o   46.139   22.503   5.1129   8.7530 -16.1167   12.650   24.615   12.124   38.647   19.801   59.313   28.303 -20.66603 34.54226 
1 1 1   -3   37   21 o   39.965   20.024  -2.6003   8.8579  -8.3660   12.329   3.5512   12.735   40.160   20.493   44.711   22.605 -4.550610 30.51106 
1 1 1   -3   37   22 o   40.399   20.428  -2.6264   10.427 -18.0900   17.648   5.6678   12.924   40.016   20.637   44.589   22.570 -4.572479 30.58255 
1 1 1   -3   37   23 o   39.345   19.700  -0.7447   8.5037   5.2150   16.794  -2.7995   9.8613   43.281   22.218   39.151   19.805 4.129627 29.76392 
1 1 1   -3   37   24 o   40.149   19.949   2.2350   8.0327  -0.0970   18.934   2.7468   8.8706   41.185   21.246   40.711   20.344 0.4734688 29.41577 
1 1 1   -3   37   25 o   36.925   18.628  -1.6518   8.3782   13.770   21.441  -4.4309   9.1018   41.700   21.551   36.109   18.347 5.591164 28.30265 
1 1 1   -3   38    1 o   53.835   24.846   7.1937   8.0837   5.1445   11.060   9.5440   11.845   51.751   25.252   55.144   26.730 -3.392887 36.77162 
1 1 1   -3   38    2 o   37.627   18.904 -10.5475   8.1640  -8.6729   10.989 -12.8571   12.197   43.120   21.700   42.703   21.649 0.4171524 30.65222 
1 1 1   -3   38    3 o   48.175   23.649   1.2373   10.151   8.8826   12.277 -15.2800   18.045   54.236   26.495   46.570   23.845 7.665890 35.64493 
1 1 1   -3   38    4 o   56.739   26.567   10.652   9.7779   5.7288   12.291   19.140   16.138   51.847   25.564   58.410   28.891 -6.562458 38.57697 
1 1 1   -3   38    5 o   55.104   24.823   8.2862   7.4661  -2.2794   9.5850   24.587   11.906   44.789   22.174   69.295   31.269 -24.50568 38.33290 
1 1 1   -3   38    6 o   36.090   18.184 -11.3922   7.8497  -5.8183   11.269 -16.6450   10.940   44.186   22.201   39.065   19.875 5.120846 29.79765 
1 1 1   -3   38    7 o   49.141   23.946   3.9773   9.8510  -5.5590   16.188   9.5854   12.414   47.211   24.034   53.288   26.158 -6.077240 35.52321 
1 1 1   -3   38    8 o   48.585   23.554   4.0168   9.2049   17.590   15.813  -2.9393   11.320   55.740   27.744   45.101   22.604 10.63931 35.78648 
1 1 1   -3   38    9 o   49.567   23.836   5.5615   8.9706   15.140   12.984  -3.1856   12.408   55.627   27.190   45.346   22.850 10.28148 35.51665 
1 1 1   -3   38   10 o   54.656   26.298   12.558   10.957   22.530   16.895   5.3180   14.395   55.847   27.934   49.244   24.789 6.602562 37.34645 
1 1 1   -3   38   11 o   36.515   18.429 -10.2610   8.2506  -5.2984   10.679 -17.6100   12.995   42.254   21.280   39.890   20.410 2.363758 29.48578 
1 1 1   -3   38   12 o   48.049   23.323   5.5793   9.1025  -1.9830   11.166   20.560   15.716   43.834   22.034   54.176   27.074 -10.34198 34.90729 
1 1 1   -3   38   13 o   52.478   25.375   12.104   10.510   22.270   19.463   7.9184   12.487   51.764   26.352   48.702   24.307 3.061749 35.85078 
1 1 1   -3   38   14 o   43.034   21.642  -1.2780   10.830   9.2340   20.293  -5.4644   12.806   47.686   24.476   42.405   21.567 5.281620 32.62244 
1 1 1   -3   38   15 o   41.805   21.100  -2.8188   10.825  -4.5626   13.226   0.7182   18.837   42.435   21.615   45.240   23.239 -2.805256 31.73697 
1 1 1   -3   38   16 o   50.705   24.568   12.132   9.9797   6.7915   12.941   19.970   15.676   46.123   23.253   50.475   25.466 -4.352314 34.48549 
1 1 1   -3   38   17 f   45.202   22.119   5.6511   8.6657   0.8102   11.954   11.013   12.581   42.841   21.687   47.417   23.774 -4.576672 32.17933 
1 1 1   -3   38   18 o   48.665   23.305   9.9514   8.3795   3.7323   10.778   19.457   13.324   43.289   21.745   50.208   25.067 -6.918549 33.18423 
1 1 1   -3   38   19 o   40.278   20.173   0.4945   8.9444  -5.7523   12.134   7.9265   13.236   39.263   20.059   44.184   22.416 -4.921310 30.08060 
1 1 1   -3   38   20 o   44.691   22.075   8.5001   9.3113  -4.6214   12.928   22.644   13.422   39.233   20.095   49.137   24.624 -9.903225 31.78314 
1 1 1   -3   38   21 o   47.175   23.012   13.024   9.1640   17.144   13.369   9.3723   12.586   45.398   22.977   42.790   21.724 2.608894 31.62062 
1 1 1   -3   38   22 o   40.172   20.303   4.8296   10.220   31.020   20.430  -3.9115   11.802   43.661   22.503   37.307   19.115 6.354366 29.52615 
1 1 1   -3   38   23 o   36.911   18.549   1.1662   7.8835 -15.8100   17.945   5.2262   8.7757   36.120   18.718   39.381   19.760 -3.260971 27.21784 
1 1 1   -3   39    1 o   44.011   21.817   1.1272   9.3933  -5.0293   11.406   14.100   16.558   42.032   21.267   50.150   25.403 -8.118435 33.12971 
1 1 1   -3   39    2 o   52.622   25.220   11.859   9.8555   13.253   12.108   9.1200   16.966   51.765   25.494   48.363   24.619 3.401634 35.44054 
1 1 1   -3   39    3 o   41.561   20.803  -2.5474   9.4457  -8.9266   11.920   8.2190   15.486   40.741   20.729   48.067   24.371 -7.326889 31.99451 
1 1 1   -3   39    4 o   51.005   24.680   10.655   9.9840   8.3546   12.527   14.660   16.529   48.336   24.158   49.849   25.264 -1.513229 34.95548 
1 1 1   -3   39    5 o   38.793   19.754 -11.1932   10.991 -11.1932   10.991   0.0000   0.0000   38.793   19.754  ?   ?  0.000000 19.75418 
1 1 1   -3   39    6 o   42.387   21.516  -3.8110   12.306  -3.8110   12.306   0.0000   0.0000   42.387   21.516  ?   ?  0.000000 21.51551 
1 1 1   -3   39    7 f   39.741   19.919  -3.4637   8.7983   7.7102   12.404 -14.7777   12.482   47.131   23.627   38.664   19.799 8.467327 30.82597 
1 1 1   -3   39    8 o   38.150   19.090  -4.0878   7.9276  -7.3299   11.306  -0.9522   11.119   39.903   20.292   42.444   21.418 -2.540855 29.50437 
1 1 1   -3   39    9 o   42.265   21.173   0.4546   9.8859  -0.0717   16.926   0.7272   12.179   43.956   22.547   43.236   21.888 0.7207603 31.42370 
1 1 1   -3   39   10 o   43.191   21.665   2.3735   10.513   4.2550   19.045   1.5488   12.608   44.632   22.937   43.293   21.955 1.338921 31.75109 
1 1 1   -3   39   11 o   43.030   21.912   1.4744   13.531  -9.4670   19.473   11.690   18.816   41.898   21.611   45.647   23.438 -3.748924 31.88077 
1 1 1   -3   39   12 o   37.137   18.875  -7.9307   9.6926 -12.5129   12.459  -0.9067   15.426   37.939   19.453   42.260   21.666 -4.320313 29.11765 
1 1 1   -3   39   13 o   38.918   19.438  -0.9555   8.0486  -0.9789   10.731  -0.9256   12.169   40.472   20.495   41.022   20.879 -0.5495071 29.25693 
1 1 1   -3   39   14 o   48.614   23.414   11.790   8.7370   5.6866   11.991   18.698   12.757   43.032   21.777   48.669   24.333 -5.636742 32.65444 
1 1 1   -3   39   15 f   41.072   20.519   3.1342   8.9939   0.5284   12.738   5.7243   12.700   40.643   20.747   42.397   21.554 -1.753399 29.91712 
1 1 1   -3   39   16 o   41.386   20.644   4.6285   8.9535  -2.0039   12.894   10.804   12.442   39.312   20.131   43.644   22.097 -4.331158 29.89195 
1 1 1   -3   39   17 o   48.615   23.442   14.778   8.8199   19.840   13.352   10.859   11.748   45.772   23.142   43.083   21.773 2.689636 31.77459 
1 1 1   -3   39   18 o   48.640   23.526   16.637   9.0513   14.560   13.082   18.544   12.536   42.894   21.814   44.818   22.631 -1.923569 31.43295 
1 1 1   -3   39   19 o   39.346   19.756   5.1691   8.8508   10.216   12.247  -0.3490   12.806   40.675   20.726   37.541   19.279 3.133923 28.30614 
1 1 1   -3   39   20 o   29.640   15.232 -16.1667   8.3970  -7.4789   11.250 -27.0956   12.618   34.432   17.696   31.429   16.269 3.003050 24.03780 
1 1 1   -3   40    1 o   47.241   22.917   10.278   8.7516   6.7744   13.046   13.145   11.801   43.444   22.063   46.677   23.347 -3.233196 32.12215 
1 1 1   -3   40    2 f   38.496   19.532  -3.7750   10.067   6.7100   18.751  -8.0209   11.932   43.045   22.155   38.156   19.525 4.888512 29.53110 
1 1 1   -3   40    3 o   37.033   18.745  -4.8734   8.9164   3.5440   18.298  -7.4945   10.211   42.363   21.808   37.044   18.880 5.319141 28.84533 
1 1 1   -3   40    4 o   39.893   20.154  -0.1637   10.015 -14.9600   16.693   8.1567   12.518   38.711   19.969   43.710   22.134 -4.998951 29.81084 
1 1 1   -3   40    5 o   44.582   22.543   10.925   12.695  -0.5911   17.037   25.300   19.034   41.189   21.196   46.072   23.651 -4.883297 31.75900 
1 1 1   -3   40    6 o   33.305   17.179 -27.7503   12.302 -36.1900   17.013 -18.5000   17.811   35.535   18.409   38.269   19.773 -2.734413 27.01604 
1 1 1   -3   40    7 o   45.690   22.712   11.808   10.451   15.321   13.235   5.9880   17.035   45.539   23.026   42.000   21.591 3.538723 31.56539 
1 1 1   -3   40    8 o   33.992   17.389 -11.9230   9.3886 -21.2380   12.019   2.6560   15.037   34.070   17.545   40.929   21.011 -6.858337 27.37369 
1 1 1   -3   40    9 o   32.566   16.615 -10.9341   8.0792  -2.8012   10.296 -23.9666   13.033   37.863   19.265   34.168   17.626 3.695293 26.11192 
1 1 1   -3   40   10 o   35.938   18.257  -4.7749   8.9927 -13.3414   12.503   4.4048   12.943   35.748   18.383   40.619   20.749 -4.871571 27.72146 
1 1 1   -3   40   11 o   41.965   20.910   7.2471   9.0796   4.3679   13.082   9.9232   12.612   40.177   20.551   42.034   21.381 -1.856567 29.65563 
1 1 1   -3   40   12 o   36.985   18.670  -0.4681   8.4947  -4.2565   12.671   2.6247   11.449   37.302   19.157   39.068   19.918 -1.766148 27.63563 
1 1 1   -3   40   13 o   32.229   16.434  -8.5553   7.8153 -14.4262   11.833  -4.0135   10.408   34.062   17.535   36.036   18.424 -1.973759 25.43456 
1 1 1   -3   40   14 o   31.853   16.215  -7.3685   7.3630 -10.1422   9.9198  -3.9654   10.988   33.365   17.125   35.824   18.361 -2.458500 25.10771 
1 1 1   -3   40   15 o   37.831   18.988   3.9828   8.1339   5.9464   11.642   2.1101   11.369   38.381   19.612   37.176   19.026 1.204899 27.32445 
1 1 1   -3   40   16 o   34.671   17.621  -1.0451   8.4366 -16.2760   12.220   12.827   11.662   32.562   16.808   39.883   20.313 -7.320786 26.36522 
1 1 1   -3   40   17 f   30.641   15.711  -9.4107   8.1299 -18.0736   12.231  -2.5532   10.882   31.705   16.382   34.373   17.657 -2.667168 24.08577 
1 1 1   -3   40   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   41    1 o   41.302   20.560   8.2973   8.6933   7.3675   11.959   9.3392   12.659   39.742   20.271   40.233   20.549 -0.4910164 28.86470 
1 1 1   -3   41    2 f   38.063   19.141   3.0611   8.4658   21.676   12.116 -14.6993   11.834   45.220   22.760   33.703   17.359 11.51739 28.62446 
1 1 1   -3   41    3 o   32.121   16.383  -8.0380   7.8069 -14.0616   10.712  -1.2135   11.402   32.971   16.958   36.820   18.860 -3.848495 25.36302 
1 1 1   -3   41    4 o   34.420   17.526  -4.1617   8.6423   4.7940   12.199 -13.1851   12.245   38.558   19.732   34.091   17.564 4.467354 26.41656 
1 1 1   -3   41    5 o   32.312   16.557  -9.9613   8.8569 -11.4352   12.589  -8.5166   12.463   34.492   17.772   35.054   18.043 -0.5614204 25.32610 
1 1 1   -3   41    6 o   31.822   16.321 -10.9538   8.8327 -13.6746   12.544  -8.2778   12.440   33.847   17.453   34.910   17.972 -1.063568 25.05195 
1 1 1   -3   41    7 o   37.923   19.127   4.4745   8.8081   5.4461   12.738   3.5843   12.193   37.994   19.494   37.506   19.231 0.4886665 27.38352 
1 1 1   -3   41    8 f   43.216   21.570   15.864   9.8377   24.023   11.941  -1.3700   17.355   44.508   22.426   36.558   18.928 7.949936 29.34638 
1 1 1   -3   41    9 o   37.593   19.024   5.2980   9.1440   3.1706   10.334   12.970   19.625   36.654   18.709   37.869   19.623 -1.214462 27.11257 
1 1 1   -3   41   10 o   48.758   23.468   21.514   8.7422   28.836   12.154   13.663   12.584   45.029   22.681   39.059   19.992 5.969624 30.23405 
1 1 1   -3   41   11 o   32.048   16.375  -5.0788   8.1031 -14.8265   11.552   4.3626   11.369   31.747   16.385   36.149   18.538 -4.402109 24.74133 
1 1 1   -3   41   12 o   44.390   21.780   18.148   8.5730   25.625   12.315   11.118   11.941   41.798   21.248   37.394   19.164 4.404408 28.61361 
1 1 1   -3   41   13 o   43.068   21.213   17.172   8.3917   19.199   12.205   15.354   11.557   38.905   19.896   38.152   19.498 0.7524719 27.85720 
1 1 1   -3   41   14 o   35.214   17.840   5.5307   8.1839   4.0708   11.102   7.2682   12.112   34.333   17.646   35.020   18.013 -0.6869926 25.21618 
1 1 1   -3   42    1 o   36.728   18.576   8.1861   8.6491   9.5308   12.677   7.0151   11.830   35.824   18.427   35.381   18.184 0.4434509 25.88854 
1 1 1   -3   42    2 o   31.749   16.254  -3.4736   8.3655  -3.0983   10.977  -3.9936   12.921   32.836   16.903   33.088   17.087 -0.2517395 24.03525 
1 1 1   -3   42    3 o   38.539   19.428   12.760   9.0225   21.043   12.287   3.0665   13.292   38.761   19.833   34.267   17.682 4.494049 26.57048 
1 1 1   -3   42    4 o   33.491   17.099   1.5807   8.6895   4.6865   12.009  -1.8319   12.589   34.458   17.735   33.169   17.119 1.288700 24.64926 
1 1 1   -3   42    5 o   31.790   16.274  -2.3138   8.3699   3.8484   11.786  -8.5831   11.888   34.073   17.538   31.604   16.323 2.468842 23.95940 
1 1 1   -3   42    6 o   33.941   17.269   3.7651   8.2692 -14.1196   12.187   19.024   11.257   30.599   15.843   38.149   19.476 -7.550848 25.10650 
1 1 1   -3   42    7 o   30.211   15.496  -5.0855   7.9874   10.424   12.132 -16.9515   10.612   34.933   17.972   29.101   15.044 5.832077 23.43704 
1 1 1   -3   42    8 o   32.802   16.752   2.4724   8.3894   1.5247   11.174   3.6967   12.701   32.679   16.834   33.138   17.107 -0.4584045 24.00015 
1 1 1   -3   42    9 o   31.097   16.015  -3.0529   10.028  -0.8296   11.677  -9.3000   19.573   31.877   16.453   31.752   16.513 0.1244259 23.31060 
1 1 1   -2    0    1 o  1057.80   16.590  1451.40   45.432  1451.40   45.432  1451.40   45.432  1057.80   16.590  1057.80   16.590 0.000000 0.000000 
1 1 1   -2    0    2 o  240.708   10.309   75.476   6.4011   75.476   6.4011   75.476   6.4011  240.708   10.309  240.708   10.309 0.000000 0.000000 
1 1 1   -2    0    3 f  398.289   11.021  205.999   11.350  205.999   11.350  205.999   11.350  398.289   11.021  398.289   11.021 0.000000 0.000000 
1 1 1   -2    0    4 o  694.027   13.179  624.832   23.673  624.832   23.673  624.832   23.673  694.027   13.179  694.027   13.179 0.000000 0.000000 
1 1 1   -2    0    5 o  187.314   11.070   45.933   5.3281   45.933   5.3281   45.933   5.3281  187.314   11.070  187.314   11.070 0.000000 0.000000 
1 1 1   -2    0    6 o  173.935   11.627   39.721   5.1846   39.721   5.1846   39.721   5.1846  173.935   11.627  173.935   11.627 0.000000 0.000000 
1 1 1   -2    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    0    8 o  614.572   12.799  490.072   20.356  490.072   20.356  490.072   20.356  614.572   12.799  614.572   12.799 0.000000 0.000000 
1 1 1   -2    0    9 f  311.951   16.474  127.200   13.227  127.200   13.227  127.200   13.227  311.951   16.474  311.951   16.474 0.000000 0.000000 
1 1 1   -2    0   10 o  482.465   12.113  302.199   15.116  302.199   15.116  302.199   15.116  482.465   12.113  482.465   12.113 0.000000 0.000000 
1 1 1   -2    0   11 o  463.757   12.040  279.264   14.441  279.264   14.441  279.264   14.441  463.757   12.040  463.757   12.040 0.000000 0.000000 
1 1 1   -2    0   12 o  506.920   12.329  333.614   16.168  333.614   16.168  333.614   16.168  506.920   12.329  506.920   12.329 0.000000 0.000000 
1 1 1   -2    0   13 f  397.639   12.068  205.494   12.405  205.494   12.405  205.494   12.405  397.639   12.068  397.639   12.068 0.000000 0.000000 
1 1 1   -2    0   14 o  396.622   12.122  204.487   12.427  204.487   12.427  204.487   12.427  396.622   12.122  396.622   12.122 0.000000 0.000000 
1 1 1   -2    0   15 o  311.795   12.656  126.690   10.183  126.690   10.183  126.690   10.183  311.795   12.656  311.795   12.656 0.000000 0.000000 
1 1 1   -2    0   16 o  212.968   14.716   59.726   8.0292   59.726   8.0292   59.726   8.0292  212.968   14.716  212.968   14.716 0.000000 0.000000 
1 1 1   -2    0   17 o  315.665   12.839  130.010   10.459  130.010   10.459  130.010   10.459  315.665   12.839  315.665   12.839 0.000000 0.000000 
1 1 1   -2    0   18 o  1046.32   17.200  1425.13   46.590  1425.13   46.590  1425.13   46.590  1046.32   17.200  1046.32   17.200 0.000000 0.000000 
1 1 1   -2    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    0   20 o  506.315   13.247  333.155   17.347  333.155   17.347  333.155   17.347  506.315   13.247  506.315   13.247 0.000000 0.000000 
1 1 1   -2    0   21 o  133.764   22.721   25.146   7.1905   25.146   7.1905   25.146   7.1905  133.764   22.721  133.764   22.721 0.000000 0.000000 
1 1 1   -2    0   22 o  445.329   13.489  257.808   15.528  257.808   15.528  257.808   15.528  445.329   13.489  445.329   13.489 0.000000 0.000000 
1 1 1   -2    0   23 o  611.861   14.532  486.231   23.003  486.231   23.003  486.231   23.003  611.861   14.532  611.861   14.532 0.000000 0.000000 
1 1 1   -2    0   24 o  564.896   15.093  414.704   22.049  414.704   22.049  414.704   22.049  564.896   15.093  564.896   15.093 0.000000 0.000000 
1 1 1   -2    0   25 o  416.280   15.069  225.638   16.201  225.638   16.201  225.638   16.201  416.280   15.069  416.280   15.069 0.000000 0.000000 
1 1 1   -2    0   26 o  231.747   18.425   71.035   10.900   71.035   10.900   71.035   10.900  231.747   18.425  231.747   18.425 0.000000 0.000000 
1 1 1   -2    0   27 o  151.197   29.554   32.956   10.309   32.956   10.309   32.956   10.309  151.197   29.554  151.197   29.554 0.000000 0.000000 
1 1 1   -2    0   28 o   82.504   41.795   13.162   11.129   13.162   11.129   13.162   11.129   82.504   41.795   82.504   41.795 0.000000 0.000000 
1 1 1   -2    0   29 o   54.648   37.623 -12.4500   17.563 -12.4500   17.563 -12.4500   17.563   54.648   37.623   54.648   37.623 0.000000 0.000000 
1 1 1   -2    0   30 o  280.366   19.042  103.713   13.682  103.713   13.682  103.713   13.682  280.366   19.042  280.366   19.042 0.000000 0.000000 
1 1 1   -2    0   31 o  309.547   17.211  125.872   13.702  125.872   13.702  125.872   13.702  309.547   17.211  309.547   17.211 0.000000 0.000000 
1 1 1   -2    0   32 o  310.306   17.059  126.617   13.617  126.617   13.617  126.617   13.617  310.306   17.059  310.306   17.059 0.000000 0.000000 
1 1 1   -2    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    0   34 o  355.295   16.719  166.158   15.309  166.158   15.309  166.158   15.309  355.295   16.719  355.295   16.719 0.000000 0.000000 
1 1 1   -2    0   35 o  253.996   18.215   85.984   11.843   85.984   11.843   85.984   11.843  253.996   18.215  253.996   18.215 0.000000 0.000000 
1 1 1   -2    0   36 o   67.093   36.990   8.8571   9.3395   8.8571   9.3395   8.8571   9.3395   67.093   36.990   67.093   36.990 0.000000 0.000000 
1 1 1   -2    0   37 o  163.623   30.610   39.628   11.643   39.628   11.643   39.628   11.643  163.623   30.610  163.623   30.610 0.000000 0.000000 
1 1 1   -2    0   38 o  105.193   53.346   25.420   18.141   25.420   18.141   25.420   18.141  105.193   53.346  105.193   53.346 0.000000 0.000000 
1 1 1   -2    0   39 o  147.233   29.284   32.777   9.9183   32.777   9.9183   32.777   9.9183  147.233   29.284  147.233   29.284 0.000000 0.000000 
1 1 1   -2    0   40 o  389.818   15.903  202.724   15.998  202.724   15.998  202.724   15.998  389.818   15.903  389.818   15.903 0.000000 0.000000 
1 1 1   -2    0   41 o   89.817   41.917   17.929   10.867   17.929   10.867   17.929   10.867   89.817   41.917   89.817   41.917 0.000000 0.000000 
1 1 1   -2    0   42 f   62.157   36.105   8.3532   9.5401   8.3532   9.5401   8.3532   9.5401   62.157   36.105   62.157   36.105 0.000000 0.000000 
1 1 1   -2    0   43 o  137.578   37.041   33.081   11.408   33.081   11.408   33.081   11.408  137.578   37.041  137.578   37.041 0.000000 0.000000 
1 1 1   -2    0   44 o   54.845   34.555   5.3309   10.374   5.3309   10.374   5.3309   10.374   54.845   34.555   54.845   34.555 0.000000 0.000000 
1 1 1   -2    0   45 o  231.408   23.206   78.853   13.589   78.853   13.589   78.853   13.589  231.408   23.206  231.408   23.206 0.000000 0.000000 
1 1 1   -2    0   46 o   52.947   36.182   1.5070   15.570   1.5070   15.570   1.5070   15.570   52.947   36.182   52.947   36.182 0.000000 0.000000 
1 1 1   -2    0   47 o   95.026   45.596   26.291   12.946   26.291   12.946   26.291   12.946   95.026   45.596   95.026   45.596 0.000000 0.000000 
1 1 1   -2    0   48 o   46.249   31.400   1.6990   11.331   1.6990   11.331   1.6990   11.331   46.249   31.400   46.249   31.400 0.000000 0.000000 
1 1 1   -2    0   49 o   47.854   32.218   4.1808   11.449   4.1808   11.449   4.1808   11.449   47.854   32.218   47.854   32.218 0.000000 0.000000 
1 1 1   -2    0   50 o   57.223   37.178   13.357   13.202   13.357   13.202   13.357   13.202   57.223   37.178   57.223   37.178 0.000000 0.000000 
1 1 1   -2    1    1 f  470.865   8.0095  287.258   9.7690  282.974   13.748  291.627   13.884  467.255   11.359  474.347   11.300 -7.092102 16.02211 
1 1 1   -2    1    2 o  428.880   7.8603  238.312   8.7323  242.359   12.426  234.362   12.274  432.431   11.093  425.235   11.143 7.195984 15.72363 
1 1 1   -2    1    3 o   72.072   9.2180   6.8408   1.6815   6.6294   2.3575   7.0597   2.3989   70.338   13.429   72.666   13.232 -2.327797 18.85318 
1 1 1   -2    1    4 o  818.462   10.108  868.113   21.429  878.623   30.561  857.949   30.055  823.153   14.333  813.415   14.264 9.737183 20.22142 
1 1 1   -2    1    5 o  504.029   8.3307  329.163   10.876  321.299   15.227  337.354   15.541  497.869   11.807  510.158   11.761 -12.28894 16.66499 
1 1 1   -2    1    6 o  502.202   8.4008  326.786   10.928  329.615   15.521  324.004   15.389  504.264   11.883  499.953   11.883 4.310333 16.80514 
1 1 1   -2    1    7 o  1411.06   14.565  2582.16   53.236  2575.95   75.156  2588.41   75.418  1408.44   20.600  1411.84   20.623 -3.400513 29.14901 
1 1 1   -2    1    8 o  726.992   9.6780  684.917   18.225  674.485   25.581  695.671   25.972  721.219   13.693  732.458   13.689 -11.23962 19.36186 
1 1 1   -2    1    9 o  581.380   18.029  438.700   27.151  438.700   27.151   0.0000   0.0000  581.380   18.029  ?   ?  0.000000 18.02914 
1 1 1   -2    1   10 o  650.521   9.3448  548.407   15.746  560.372   22.568  537.056   21.981  657.380   13.253  643.562   13.186 13.81738 18.69554 
1 1 1   -2    1   11 o  575.529   9.0074  429.253   13.428  425.414   18.915  433.154   19.066  572.778   12.749  577.966   12.735 -5.188293 18.02012 
1 1 1   -2    1   12 o  599.536   9.1975  465.853   14.283  467.878   20.245  463.845   20.155  600.631   13.013  598.037   13.011 2.594055 18.40128 
1 1 1   -2    1   13 o  367.011   8.5166  174.571   8.0965  170.552   11.424  178.626   11.476  362.635   12.162  371.129   11.938 -8.494507 17.04189 
1 1 1   -2    1   14 o  536.808   9.0629  373.564   12.602  364.279   17.726  383.052   17.919  529.840   12.916  543.335   12.732 -13.49561 18.13611 
1 1 1   -2    1   15 o  451.937   8.9263  264.850   10.450  265.284   14.976  264.439   14.588  452.019   12.790  451.325   12.478 0.6937561 17.86894 
1 1 1   -2    1   16 o   95.629   18.005   12.314   4.2962   13.704   6.1520   10.990   6.0024  100.252   24.008   90.127   24.890 10.12489 34.58143 
1 1 1   -2    1   17 o  303.954   9.3445  119.945   7.3572  112.012   10.368  127.990   10.442  293.332   13.645  313.646   12.852 -20.31445 18.74518 
1 1 1   -2    1   18 o  334.963   9.1638  145.634   7.9510  137.137   10.898  155.304   11.626  324.690   12.958  345.525   12.990 -20.83487 18.34774 
1 1 1   -2    1   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    1   20 o  709.749   10.116  653.346   18.598  641.051   26.053  666.121   26.556  702.541   14.316  716.147   14.316 -13.60608 20.24605 
1 1 1   -2    1   21 o  764.212   10.451  757.264   20.688  736.378   28.782  779.587   29.757  753.171   14.753  774.945   14.824 -21.77350 20.91415 
1 1 1   -2    1   22 o  187.882   13.290   46.022   6.4262   36.222   8.8758   56.819   9.3162  165.556   21.183  208.438   17.414 -42.88132 27.42208 
1 1 1   -2    1   23 o  485.523   10.233  305.598   12.870  296.683   17.907  315.122   18.509  478.163   14.458  492.796   14.500 -14.63257 20.47582 
1 1 1   -2    1   24 o  839.855   11.335  914.656   24.659  898.329   34.535  931.639   35.222  831.820   16.028  847.099   16.052 -15.27844 22.68400 
1 1 1   -2    1   25 o  170.260   15.715   37.961   6.8526   36.735   10.629   38.832   8.9644  165.956   25.545  171.559   20.583 -5.603104 32.80538 
1 1 1   -2    1   26 o  728.070   10.780  687.491   20.330  682.791   28.799  692.159   28.701  725.065   15.334  730.042   15.178 -4.977600 21.57529 
1 1 1   -2    1   27 o  545.382   10.376  385.794   14.658  383.143   20.843  388.388   20.619  543.095   14.816  546.827   14.557 -3.732300 20.77044 
1 1 1   -2    1   28 o   98.095   27.310   12.974   7.1950   12.393   10.791   13.440   9.6540  100.842   34.423  101.946   32.463 -1.103584 47.31581 
1 1 1   -2    1   29 o  401.900   16.533  210.232   17.211  202.800   25.128  216.800   23.622  392.765   24.827  406.671   22.512 -13.90607 33.51355 
1 1 1   -2    1   30 o  381.136   11.231  188.647   11.088  193.270   15.743  184.096   15.619  385.275   15.775  375.987   16.037 9.288177 22.49566 
1 1 1   -2    1   31 o  517.736   10.543  348.162   14.139  348.966   19.805  347.326   20.192  517.621   14.771  516.339   15.097 1.282043 21.12159 
1 1 1   -2    1   32 o  444.057   10.536  256.294   12.119  257.026   17.414  255.606   16.876  443.854   15.147  442.716   14.716 1.137787 21.11839 
1 1 1   -2    1   33 o  260.759   19.254   89.840   12.913   0.0000   0.0000   89.840   12.913  ?   ?   260.759   19.254 0.000000 19.25431 
1 1 1   -2    1   34 f  308.858   12.499  124.498   9.9997  124.142   14.212  124.848   14.073  306.670   17.969  307.617   17.736 -0.9467163 25.24813 
1 1 1   -2    1   35 o  252.454   13.133   83.591   8.5582   72.483   12.464   93.500   11.772  232.763   20.895  265.882   17.184 -33.11913 27.05394 
1 1 1   -2    1   36 o   90.703   26.313   11.410   6.5443   10.985   8.3542   12.085   10.528   90.950   30.288   96.842   33.955 -5.891701 45.50089 
1 1 1   -2    1   37 o   93.436   28.403   12.166   7.4836   12.270   10.380   12.055   10.800   96.583   33.723   96.607   34.340 -0.2395630E-01 48.12935 
1 1 1   -2    1   38 o  132.080   34.530   25.879   11.946   37.810   17.716   15.930   16.178  155.768   42.655  110.470   41.579 45.29769 59.56747 
1 1 1   -2    1   39 f   60.870   25.699   1.2673   6.9513   3.5062   9.9567  -0.8617   9.7094   74.879   31.124   66.446   29.209 8.433090 42.68354 
1 1 1   -2    1   40 o  249.759   13.902   82.931   8.9580   93.083   12.490   72.176   12.855  262.091   18.516  228.562   21.984 33.52806 28.74309 
1 1 1   -2    1   41 o  158.417   18.314   34.394   7.3765   32.116   10.785   36.397   10.112  147.045   29.343  159.240   25.365 -12.19510 38.78643 
1 1 1   -2    1   42 o  185.747   17.051   47.017   8.1123   37.019   11.615   56.539   11.335  157.072   29.635  200.533   22.193 -43.46107 37.02425 
1 1 1   -2    1   43 o  224.580   15.760   68.389   9.1102   75.259   13.084   61.923   12.693  230.749   22.162  207.648   24.043 23.10062 32.69905 
1 1 1   -2    1   44 o   64.054   26.296   3.4474   6.9891   2.7362   10.427   4.0277   9.4182   71.508   30.862   71.455   30.027 0.5353546E-01 43.05916 
1 1 1   -2    1   45 f  157.288   22.261   36.012   8.8165   32.517   12.541   39.428   12.397  138.396   34.970  156.414   31.683 -18.01724 47.18834 
1 1 1   -2    1   46 o  120.175   37.040   26.478   12.672   29.030   17.725   23.810   18.124  117.717   43.675  108.571   43.130 9.146324 61.38114 
1 1 1   -2    1   47 o   54.266   24.844  -2.2474   7.8602   1.1796   11.584  -5.1713   10.700   68.599   30.910   58.873   27.638 9.726254 41.46413 
1 1 1   -2    1   48 o  127.020   28.690   26.842   9.2166   28.203   12.657   25.306   13.447  119.990   37.024  111.271   38.409 8.719078 53.34866 
1 1 1   -2    1   49 o   85.038   30.946   12.782   8.8302   21.269   13.048   5.6119   11.994  100.624   37.445   73.026   32.267 27.59808 49.42994 
1 1 1   -2    1   50 o   93.584   30.204   16.248   8.3358   25.737   11.995   7.3850   11.592  109.853   36.279   73.368   32.092 36.48566 48.43641 
1 1 1   -2    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    2    3 o  257.062   7.4938   85.613   4.9899   88.784   7.1051   82.527   7.0093  261.738   10.480  252.344   10.723 9.394592 14.99396 
1 1 1   -2    2    4 o  165.078   7.7953   35.306   3.3333   35.919   4.7398   34.707   4.6885  166.103   11.080  163.260   11.153 2.842972 15.72136 
1 1 1   -2    2    5 o  322.606   7.7313  134.841   6.4606  131.990   9.1014  137.736   9.1724  319.119   11.010  325.994   10.862 -6.874908 15.46675 
1 1 1   -2    2    6 o  406.006   8.0643  213.579   8.4810  220.053   12.140  207.407   11.853  412.032   11.375  400.017   11.439 12.01566 16.13202 
1 1 1   -2    2    7 o  442.741   8.2329  253.982   9.4418  254.381   13.389  253.588   13.317  442.993   11.668  442.304   11.624 0.6892395 16.46947 
1 1 1   -2    2    8 o  556.621   8.7804  401.472   12.660  403.443   17.913  399.505   17.894  557.849   12.397  555.117   12.445 2.731262 17.56534 
1 1 1   -2    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    2   10 o  819.852   10.355  871.195   21.990  882.301   31.363  860.456   30.842  824.749   14.681  814.481   14.619 10.26868 20.71778 
1 1 1   -2    2   11 o  308.431   8.3684  123.272   6.6858  127.174   9.5653  119.545   9.3487  313.194   11.791  303.651   11.886 9.542938 16.74179 
1 1 1   -2    2   12 o  416.419   8.6681  224.726   9.3499  230.233   13.337  219.404   13.111  421.361   12.220  411.329   12.305 10.03217 17.34208 
1 1 1   -2    2   13 o  567.592   9.1365  417.580   13.433  417.601   19.012  417.558   18.982  567.379   12.936  567.351   12.916 0.2801514E-01 18.28027 
1 1 1   -2    2   14 o  499.343   8.9072  323.239   11.521  321.771   16.290  324.707   16.296  497.974   12.629  500.245   12.576 -2.270966 17.82280 
1 1 1   -2    2   15 o  153.794   11.874   30.885   4.6937   37.802   6.6007   23.810   6.6758  169.860   15.161  133.735   19.876 36.12505 24.99810 
1 1 1   -2    2   16 o  591.084   9.4397  453.432   14.453  452.379   20.565  454.460   20.316  589.771   13.462  591.162   13.267 -1.390381 18.90079 
1 1 1   -2    2   17 o  479.466   9.1645  298.438   11.382  289.172   15.948  308.059   16.250  471.395   13.061  486.575   12.893 -15.18011 18.35201 
1 1 1   -2    2   18 f  780.146   10.480  790.488   21.179  781.432   29.930  799.570   29.973  774.547   14.918  783.529   14.768 -8.981873 20.99115 
1 1 1   -2    2   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    2   20 o  160.498   13.909   33.698   5.7254   28.275   8.3270   38.561   7.8849  145.531   22.841  171.241   18.048 -25.70970 29.11104 
1 1 1   -2    2   21 o  1027.21   12.070  1368.64   32.115  1389.65   46.069  1348.78   44.793  1034.26   17.196  1018.97   16.971 15.28363 24.15997 
1 1 1   -2    2   22 o   58.267   22.974   2.4468   5.1070   1.8166   7.4250   3.0126   7.0356   66.010   27.102   67.412   26.843 -1.401733 38.14532 
1 1 1   -2    2   23 o  417.780   10.493  226.281   11.355  228.625   15.828  223.797   16.299  419.743   14.558  415.255   15.153 4.488861 21.01284 
1 1 1   -2    2   24 o  937.843   11.741  1140.65   28.523  1158.19   41.080  1124.33   39.633  944.375   16.793  930.518   16.443 13.85699 23.50292 
1 1 1   -2    2   25 o  445.974   10.110  257.877   11.679  260.121   16.253  255.481   16.794  447.685   14.015  443.633   14.614 4.051910 20.24874 
1 1 1   -2    2   26 o   88.804   25.974   10.479   6.3534   13.717   9.5749   7.9315   8.4924  102.808   32.281   84.683   30.414 18.12441 44.35196 
1 1 1   -2    2   27 o   99.489   27.428   13.349   7.2962   2.8222   10.364   23.690   10.273   78.261   32.064  131.807   30.666 -53.54594 44.36744 
1 1 1   -2    2   28 o  443.843   10.740  255.605   12.348  255.908   17.622  255.312   17.308  443.687   15.333  443.198   15.076 0.4896851 21.50351 
1 1 1   -2    2   29 o   74.289   30.961   1.6600   9.8898  -1.0150   15.547   3.4780   12.817   87.466   37.718   86.606   35.589 0.8596344 51.85820 
1 1 1   -2    2   30 o  381.124   11.148  188.635   11.006  208.226   16.309  172.253   14.914  399.893   15.745  363.703   15.830 36.18976 22.32667 
1 1 1   -2    2   31 o  251.113   13.845   82.326   8.9709   80.934   12.543   83.783   12.835  247.964   19.690  252.294   19.800 -4.329636 27.92375 
1 1 1   -2    2   32 o  199.340   15.262   52.153   7.8207   40.516   12.073   60.567   10.266  172.650   27.951  214.246   18.685 -41.59605 33.62159 
1 1 1   -2    2   33 o  323.841   12.166  136.648   10.205  135.319   14.832  137.844   14.063  320.653   17.929  323.947   16.817 -3.294037 24.58180 
1 1 1   -2    2   34 o  264.768   13.478   91.847   9.2134  101.165   13.515   83.757   12.593  276.386   18.993  251.214   19.505 25.17279 27.22502 
1 1 1   -2    2   35 o  307.754   11.775  123.670   9.3867  130.863   14.397  118.351   12.380  314.489   17.745  299.628   16.009 14.86166 23.89949 
1 1 1   -2    2   36 o   70.363   26.820   4.9721   6.7834   9.1932   9.0858  -0.3437   10.196   87.104   31.438   70.052   30.376 17.05202 43.71524 
1 1 1   -2    2   37 o  241.204   13.313   76.608   8.2855   84.920   11.698   68.238   11.737  252.316   18.016  225.127   20.348 27.18945 27.17745 
1 1 1   -2    2   38 f  146.420   31.158   31.116   11.455   9.9000   17.705   46.390   15.022  102.446   41.932  178.117   33.796 -75.67053 53.85581 
1 1 1   -2    2   39 o   88.710   28.850   10.992   7.5963   14.245   10.794   7.7989   10.693  100.379   34.426   85.216   33.353 15.16279 47.93235 
1 1 1   -2    2   40 o  199.204   15.971   53.315   8.1719   67.149   12.460   42.872   10.825  220.236   22.141  174.193   24.682 46.04245 33.15794 
1 1 1   -2    2   41 f  127.358   21.240   22.810   6.7600   12.328   9.0845   35.815   10.119   92.415   31.584  157.715   25.652 -65.30006 40.68842 
1 1 1   -2    2   42 o   47.541   22.305  -5.9126   6.9522 -14.7225   9.5741   3.9143   10.112   48.534   23.641   74.197   31.142 -25.66262 39.09891 
1 1 1   -2    2   43 o   84.058   28.699   10.243   7.5006   2.9285   10.463   17.977   10.758   72.654   31.130  106.154   34.318 -33.50011 46.33353 
1 1 1   -2    2   44 o  194.154   17.458   52.064   8.6859   44.994   12.836   58.037   11.797  170.498   30.168  200.549   23.134 -30.05104 38.01707 
1 1 1   -2    2   45 o   60.639   26.339   1.1760   7.6919 -12.7137   11.564   12.197   10.301   55.419   26.754   88.918   33.235 -33.49894 42.66502 
1 1 1   -2    2   46 o   80.741   36.982   2.4080   17.446   0.0000   0.0000   2.4080   17.446  ?   ?    80.741   36.982 0.000000 36.98209 
1 1 1   -2    2   47 o   70.240   28.545   6.0483   8.1315   2.0333   12.262   9.1999   10.864   70.919   31.892   80.208   32.840 -9.288277 45.77760 
1 1 1   -2    2   48 o   84.531   30.232   12.064   8.3825  -3.7974   11.834   28.037   11.875   62.284   29.184  121.626   35.492 -59.34262 45.94999 
1 1 1   -2    2   49 o  145.684   25.282   33.979   9.1946   38.892   12.479   28.144   13.600  145.183   33.812  114.366   38.646 30.81763 51.34929 
1 1 1   -2    2   50 o  151.875   22.644   36.234   8.6361   48.556   12.028   23.122   12.408  167.796   28.704  102.383   36.763 65.41357 46.64212 
1 1 1   -2    3    1 o  442.004   8.0327  253.126   9.1968  259.356   13.100  247.070   12.914  447.327   11.306  436.600   11.419 10.72714 16.06919 
1 1 1   -2    3    2 o  135.710   9.3946   23.980   3.2822   29.890   6.1325   21.607   3.8855  150.968   15.922  128.570   11.799 22.39787 19.81721 
1 1 1   -2    3    3 o  1232.95   13.137  1970.88   41.957  1980.29   59.629  1961.64   59.047  1235.26   18.636  1229.44   18.541 5.817261 26.28838 
1 1 1   -2    3    4 f  588.991   8.8111  449.512   13.443  457.600   19.203  441.738   18.825  594.128   12.478  583.741   12.450 10.38702 17.62633 
1 1 1   -2    3    5 f  602.968   12.628  471.338   19.724   0.0000   0.0000  471.338   19.724  ?   ?   602.968   12.628 0.000000 12.62844 
1 1 1   -2    3    6 o  507.040   8.4654  333.118   11.118  334.975   15.817  331.305   15.632  508.336   12.012  505.546   11.937 2.789886 16.93484 
1 1 1   -2    3    7 o  911.794   10.864  1077.56   25.658  1088.09   36.559  1067.33   36.019  915.891   15.410  907.119   15.329 8.771240 21.73589 
1 1 1   -2    3    8 o  592.673   10.349  455.256   15.888  467.200   27.739  449.425   19.381  599.981   17.849  588.760   12.709 11.22131 21.91092 
1 1 1   -2    3    9 o  270.221   17.897   95.190   12.456   95.190   12.456   0.0000   0.0000  270.221   17.897  ?   ?  0.000000 17.89735 
1 1 1   -2    3   10 o  513.588   8.7919  341.814   11.696  335.113   16.476  348.622   16.607  508.385   12.512  518.537   12.364 -10.15280 17.58997 
1 1 1   -2    3   11 o  822.716   10.407  877.375   22.178  865.046   31.053  890.209   31.684  816.576   14.681  828.360   14.766 -11.78339 20.82263 
1 1 1   -2    3   12 o  616.558   9.3448  492.717   14.924  492.685   21.052  492.750   21.160  616.307   13.187  616.343   13.254 -0.3582764E-01 18.69683 
1 1 1   -2    3   13 o  673.494   9.6253  588.024   16.792  602.028   24.052  574.709   23.454  681.145   13.632  665.513   13.605 15.63141 19.25969 
1 1 1   -2    3   14 o  474.110   8.9569  291.421   11.000  289.602   15.545  293.246   15.567  472.383   12.704  475.352   12.643 -2.968079 17.92311 
1 1 1   -2    3   15 o  412.681   8.8836  220.877   9.4963  229.333   13.405  212.357   13.455  420.238   12.314  404.338   12.847 15.89990 17.79550 
1 1 1   -2    3   16 o  451.374   9.1061  264.416   10.647  257.300   14.972  271.696   15.143  444.785   12.995  457.088   12.790 -12.30328 18.23342 
1 1 1   -2    3   17 o  188.276   11.246   46.237   5.4597   47.959   8.1473   44.833   7.3556  190.978   16.636  184.790   15.511 6.188339 22.74461 
1 1 1   -2    3   18 o  715.072   10.156  663.929   18.811  646.594   26.295  682.104   26.923  704.773   14.403  723.878   14.359 -19.10529 20.33786 
1 1 1   -2    3   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    3   20 o  722.617   10.205  677.196   19.103  680.687   27.241  673.818   26.794  723.984   14.526  720.344   14.360 3.639832 20.42584 
1 1 1   -2    3   21 o  808.340   10.777  847.264   22.566  836.230   31.759  858.515   32.070  802.583   15.276  813.214   15.225 -10.63049 21.56752 
1 1 1   -2    3   22 o  565.118   9.8714  413.990   14.450  409.263   20.472  418.684   20.399  561.622   14.072  568.065   13.863 -6.442993 19.75387 
1 1 1   -2    3   23 o  289.649   12.531  108.815   9.4019   99.379   13.266  118.338   13.327  275.939   18.669  301.385   17.142 -25.44611 25.34547 
1 1 1   -2    3   24 o  1179.15   13.386  1803.92   40.885  1776.95   57.275  1831.94   58.380  1169.28   18.910  1187.22   18.984 -17.93884 26.79502 
1 1 1   -2    3   25 o  241.846   12.682   76.093   7.9167   73.501   11.784   78.225   10.688  236.959   19.368  244.796   16.959 -7.836807 25.74416 
1 1 1   -2    3   26 o  251.151   13.363   82.105   8.6622   81.726   12.406   82.465   12.101  249.888   19.316  251.101   18.739 -1.212738 26.91173 
1 1 1   -2    3   27 o  190.962   16.352   47.751   8.0104   37.944   11.743   56.286   10.955  168.073   27.954  206.828   20.727 -38.75549 34.80020 
1 1 1   -2    3   28 o  529.529   14.576  364.409   19.993  370.600   28.034  358.000   28.522  533.151   20.299  523.885   21.018 9.266602 29.22031 
1 1 1   -2    3   29 f  253.010   21.673   84.235   14.067   76.780   22.557   88.980   17.995  237.583   37.929  258.946   27.236 -21.36337 46.69481 
1 1 1   -2    3   30 o  249.346   13.567   81.090   8.7296   82.080   12.645   80.190   12.066  249.912   19.693  247.126   18.995 2.785385 27.36126 
1 1 1   -2    3   31 o  379.472   11.407  187.156   11.213  186.122   15.972  188.161   15.745  377.730   16.324  379.846   16.002 -2.115967 22.85893 
1 1 1   -2    3   32 o  268.398   12.831   93.816   8.9203   98.949   13.593   89.934   11.822  274.047   19.272  261.591   17.548 12.45551 26.06430 
1 1 1   -2    3   33 o  172.546   18.344   39.525   8.0729   38.049   11.675   40.877   11.175  166.614   28.048  173.572   25.627 -6.958160 37.99194 
1 1 1   -2    3   34 o  321.411   12.086  134.796   10.062  130.827   14.629  138.358   13.861  314.733   18.019  324.173   16.563 -9.439392 24.47495 
1 1 1   -2    3   35 o  192.544   16.685   49.164   8.2391   56.637   12.200   42.899   11.171  204.564   23.448  177.144   25.044 27.42006 34.30779 
1 1 1   -2    3   36 o  272.108   13.195   97.041   9.3004   91.949   13.245  101.994   13.062  262.327   19.635  276.894   18.315 -14.56720 26.85099 
1 1 1   -2    3   37 o  121.799   22.151   20.506   6.7312   24.049   9.2179   16.458   9.8526  130.035   28.180  107.355   32.580 22.67918 43.07637 
1 1 1   -2    3   38 o  156.170   30.479   35.194   11.887   35.010   16.760   35.380   16.862  150.074   41.645  150.811   41.744 -0.7371674 58.96534 
1 1 1   -2    3   39 o   77.443   26.545   7.9246   6.4174   16.732   9.2908  -0.1115   8.8746  106.623   31.473   64.852   28.230 41.77069 42.27913 
1 1 1   -2    3   40 o  286.989   12.881  108.892   9.5756  108.406   13.544  109.378   13.539  282.711   18.599  284.046   18.503 -1.335510 26.23525 
1 1 1   -2    3   41 f  110.184   26.403   17.875   7.4370   14.680   10.654   20.913   10.386   99.379   34.196  116.301   32.966 -16.92213 47.49833 
1 1 1   -2    3   42 o  187.899   17.391   48.246   8.3685   53.438   12.181   43.604   11.517  192.760   24.983  172.795   26.583 19.96484 36.48018 
1 1 1   -2    3   43 o   58.000   25.137   0.5186   6.9748   10.646   9.0445 -14.3403   10.956   86.368   31.336   53.201   25.769 33.16722 40.57069 
1 1 1   -2    3   44 o  197.677   17.079   53.863   8.6593   61.068   12.848   47.865   11.722  204.080   24.814  179.496   25.966 24.58444 35.91603 
1 1 1   -2    3   45 o  151.936   22.758   33.878   8.6810   46.220   12.605   22.743   11.973  171.624   29.413  113.825   36.142 57.79928 46.59762 
1 1 1   -2    3   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    3   47 o   86.847   31.382   12.622   9.0573   9.7782   12.472   15.796   13.174   82.492   34.604   93.446   36.882 -10.95380 50.57364 
1 1 1   -2    3   48 o   49.658   23.265  -4.3230   7.5175  -3.0902   10.033  -5.9014   11.352   58.689   27.291   58.909   27.902 -0.2195625 39.02972 
1 1 1   -2    3   49 o   72.552   29.304   7.7776   8.5121   1.6278   12.638   12.884   11.516   68.534   31.422   84.385   34.084 -15.85144 46.35849 
1 1 1   -2    3   50 o   86.321   31.586   14.279   9.2176   4.2372   13.000   24.431   13.072   70.279   32.090  103.381   37.647 -33.10186 49.46760 
1 1 1   -2    4    1 o  780.945   9.9180  790.347   20.063  793.119   28.436  787.599   28.312  782.082   14.037  779.357   14.024 2.725159 19.84195 
1 1 1   -2    4    2 o  627.554   9.0496  510.314   14.711  506.388   20.739  514.288   20.869  624.981   12.811  629.838   12.792 -4.856934 18.10374 
1 1 1   -2    4    3 o  514.291   9.8992  342.766   13.187  337.300   22.797  345.515   16.167  509.864   17.261  516.274   12.089 -6.409668 21.07351 
1 1 1   -2    4    4 o  501.412   8.4532  325.762   10.979  333.463   15.655  318.309   15.401  507.193   11.916  495.532   11.999 11.66116 16.91045 
1 1 1   -2    4    5 o  268.034   11.453   93.123   7.9514   93.123   7.9514   0.0000   0.0000  268.034   11.453  ?   ?  0.000000 11.45256 
1 1 1   -2    4    6 o  507.562   8.5777  333.813   11.277  333.884   15.966  333.743   15.931  507.496   12.145  507.390   12.122 0.1059265 17.15944 
1 1 1   -2    4    7 o  704.652   9.5975  643.474   17.518  648.527   24.932  638.548   24.619  707.198   13.610  701.739   13.544 5.458191 19.20110 
1 1 1   -2    4    8 o  361.013   16.329  169.100   15.269  169.100   15.269   0.0000   0.0000  361.013   16.329  ?   ?  0.000000 16.32858 
1 1 1   -2    4    9 o  573.264   8.9722  425.868   13.323  431.610   18.970  420.278   18.716  576.953   12.694  569.329   12.691 7.624084 17.94950 
1 1 1   -2    4   10 o  809.220   10.320  848.787   21.631  857.495   30.781  840.291   30.405  813.035   14.616  804.840   14.584 8.194641 20.64747 
1 1 1   -2    4   11 o  427.463   8.5070  236.796   9.4195  231.734   13.187  242.070   13.460  422.744   12.042  432.070   12.026 -9.326202 17.01914 
1 1 1   -2    4   12 o  253.603   9.2141   83.362   6.0528   79.539   8.5349   87.231   8.5854  247.251   13.376  259.328   12.781 -12.07602 18.50048 
1 1 1   -2    4   13 o  437.929   8.7689  248.596   9.9472  248.489   14.128  248.702   14.007  437.646   12.463  437.840   12.351 -0.1941528 17.54596 
1 1 1   -2    4   14 o  598.337   9.3081  464.239   14.426  469.585   20.432  458.924   20.372  601.412   13.116  594.533   13.228 6.878540 18.62826 
1 1 1   -2    4   15 o  667.163   9.7574  577.578   16.862  588.177   23.938  567.139   23.756  672.630   13.739  660.464   13.886 12.16565 19.53443 
1 1 1   -2    4   16 o  266.674   9.6126   92.332   6.6400   93.526   9.5136   91.199   9.2719  267.697   13.766  264.364   13.586 3.333160 19.34149 
1 1 1   -2    4   17 o  440.125   9.2692  251.490   10.567  250.990   15.003  251.983   14.887  439.145   13.189  440.033   13.061 -0.8886414 18.56183 
1 1 1   -2    4   18 o  562.619   9.5978  410.830   13.987  418.654   20.029  403.380   19.542  567.347   13.629  556.916   13.547 10.43134 19.21615 
1 1 1   -2    4   19 o  509.741   13.687  337.575   18.072  320.900   25.734  353.800   25.384  496.113   20.025  521.129   18.805 -25.01550 27.47060 
1 1 1   -2    4   20 o  890.831   11.165  1029.34   25.763  1010.84   36.057  1048.63   36.823  882.135   15.780  898.465   15.822 -16.32959 22.34597 
1 1 1   -2    4   21 o  537.738   9.7998  374.866   13.650  363.718   19.033  386.673   19.588  529.428   13.879  545.881   13.853 -16.45306 19.60901 
1 1 1   -2    4   22 o  550.758   9.9002  393.219   14.124  376.018   19.585  411.859   20.388  538.330   14.045  563.408   13.970 -25.07770 19.80958 
1 1 1   -2    4   23 o  422.352   10.742  231.278   11.752  230.519   17.573  231.892   15.807  421.377   16.100  422.730   14.436 -1.352905 21.62396 
1 1 1   -2    4   24 o  726.584   10.748  684.536   20.229  693.847   29.061  675.783   28.175  731.068   15.346  721.519   15.075 9.549622 21.51212 
1 1 1   -2    4   25 o  471.110   10.402  287.803   12.694  286.182   18.036  289.393   17.870  469.487   14.831  472.131   14.612 -2.643921 20.81996 
1 1 1   -2    4   26 o  226.022   13.368   66.545   7.7918   80.647   11.074   52.719   10.965  248.466   17.315  200.035   21.500 48.43124 27.60496 
1 1 1   -2    4   27 o  698.927   10.758  633.743   19.477  637.642   27.624  629.887   27.467  700.486   15.224  696.213   15.231 4.273438 21.53469 
1 1 1   -2    4   28 o  135.954   31.107   25.274   10.717   37.850   14.356   9.4380   16.109  166.369   34.446  105.255   41.008 61.11353 53.55554 
1 1 1   -2    4   29 o  415.528   11.042  224.155   11.885  225.355   17.387  223.104   16.284  416.080   16.133  414.116   15.180 1.964020 22.15177 
1 1 1   -2    4   30 o  109.368   25.221   16.335   6.9990   18.080   11.105   15.185   9.0149  115.718   34.470  106.044   30.918 9.673584 46.30412 
1 1 1   -2    4   31 o   87.619   28.561   9.8518   7.4433   10.463   10.741   9.2874   10.324   95.280   34.206   91.599   33.442 3.681236 47.83751 
1 1 1   -2    4   32 o  191.838   15.837   48.402   7.7993   47.844   12.127   48.795   10.185  188.473   25.495  191.564   20.863 -3.090912 32.94329 
1 1 1   -2    4   33 o  159.042   19.577   33.781   7.8949   23.743   11.336   43.234   11.001  129.848   33.487  178.891   24.376 -49.04303 41.41956 
1 1 1   -2    4   34 o  490.797   10.632  313.841   13.517  299.932   19.678  326.268   18.600  478.051   15.891  499.191   14.385 -21.13983 21.43462 
1 1 1   -2    4   35 o  114.802   26.293   18.454   7.6506   17.805   11.095   19.043   10.563  112.505   34.656  115.753   33.387 -3.248192 48.12252 
1 1 1   -2    4   36 o  125.167   23.180   21.655   7.2387   14.034   10.939   27.592   9.6551  102.038   34.659  140.132   27.581 -38.09379 44.29379 
1 1 1   -2    4   37 o   59.354   27.165  -5.2999   9.3884  -6.8070   12.501  -3.3500   14.219   68.073   31.226   77.257   34.572 -9.183937 46.58593 
1 1 1   -2    4   38 o  187.898   21.119   48.168   10.101   40.609   12.444   62.770   17.294  168.315   29.623  207.754   33.259 -39.43901 44.53897 
1 1 1   -2    4   39 o  150.011   17.908   30.560   6.8212   24.897   9.5334   36.499   9.7638  130.546   28.951  161.325   24.104 -30.77846 37.67210 
1 1 1   -2    4   40 o  148.583   20.519   30.601   7.6865   31.782   10.883   29.426   10.858  146.594   29.677  140.318   30.726 6.276703 42.71768 
1 1 1   -2    4   41 o   97.117   26.768   13.938   6.9504   7.1089   9.8538   20.700   9.8050   80.417   31.847  116.091   31.709 -35.67492 44.94144 
1 1 1   -2    4   42 o   50.267   23.177  -4.1246   7.0088  -5.5534   9.6390  -2.5216   10.210   58.108   26.927   63.940   28.895 -5.832436 39.49656 
1 1 1   -2    4   43 f   93.540   29.652   13.360   8.0615   13.744   11.731   13.017   11.097   95.604   35.519   93.571   34.589 2.032883 49.57798 
1 1 1   -2    4   44 o  178.117   18.980   44.471   8.6218   42.914   13.166   45.640   11.408  164.162   32.113  175.018   25.951 -10.85577 41.28740 
1 1 1   -2    4   45 f   49.784   23.396  -5.6813   7.7016  -6.1193   11.327  -5.3047   10.503   60.791   28.506   59.390   27.719 1.400852 39.76081 
1 1 1   -2    4   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    4   47 o   79.761   30.426   9.9296   8.7346   13.984   12.432   5.9774   12.274   89.691   35.692   76.055   33.151 13.63679 48.71288 
1 1 1   -2    4   48 o   54.409   25.438  -3.9807   8.9067  -9.2026   12.349   1.6814   12.859   58.126   27.955   70.064   31.962 -11.93810 42.46224 
1 1 1   -2    4   49 o  171.684   21.197   44.685   9.2265   33.105   12.937   56.672   13.163  127.485   36.999  183.394   28.645 -55.90844 46.79184 
1 1 1   -2    4   50 o   40.815   20.054 -10.9994   7.3502 -14.2005   10.493  -7.9159   10.299   47.974   23.647   52.441   25.299 -4.467186 34.62988 
1 1 1   -2    5    1 o  984.361   11.339  1255.96   28.911  1245.75   40.626  1266.43   41.153  979.967   16.004  988.058   16.079 -8.091003 22.68673 
1 1 1   -2    5    2 o  549.802   8.7184  391.686   12.416  391.509   17.531  391.865   17.588  549.548   12.315  549.796   12.350 -0.2476807 17.44100 
1 1 1   -2    5    3 o  608.569   9.0520  479.914   14.269  492.832   20.454  467.667   19.917  616.546   12.807  600.599   12.802 15.94696 18.10868 
1 1 1   -2    5    4 o  514.500   8.6265  343.002   11.497  337.500   23.231  344.786   13.230  509.976   17.586  515.798   9.9024 -5.821747 20.18224 
1 1 1   -2    5    5 o  504.653   8.5855  329.999   11.223  325.355   15.778  334.756   15.967  500.969   12.159  508.156   12.131 -7.187347 17.17523 
1 1 1   -2    5    6 o  487.163   8.5867  307.525   10.836  304.179   15.293  310.898   15.355  484.386   12.189  489.710   12.105 -5.324005 17.17805 
1 1 1   -2    5    7 o  625.471   12.978  507.258   21.026  454.300   27.897  576.900   31.991  591.596   18.205  666.632   18.527 -75.03693 25.97408 
1 1 1   -2    5    8 o  810.476   14.719  852.037   30.900  854.500   43.817  849.600   43.582  811.028   20.857  808.705   20.805 2.322571 29.45965 
1 1 1   -2    5    9 o  137.651   11.133   24.723   3.9357   26.672   5.6782   22.921   5.4600  142.526   15.637  131.904   16.329 10.62218 22.60887 
1 1 1   -2    5   10 o  349.334   8.4611  158.143   7.6563  154.617   10.715  161.821   10.944  345.319   11.979  353.273   11.959 -7.953644 16.92698 
1 1 1   -2    5   11 o  563.630   9.0689  411.739   13.240  408.948   18.653  414.574   18.797  561.515   12.824  565.362   12.836 -3.848022 18.14437 
1 1 1   -2    5   12 o  886.646   10.880  1019.39   24.988  994.239   34.721  1046.41   35.990  875.129   15.317  897.772   15.476 -22.64313 21.77427 
1 1 1   -2    5   13 o  288.387   9.2579  107.827   6.9157  113.137   9.9675  102.899   9.6032  295.249   13.033  281.568   13.167 13.68109 18.52649 
1 1 1   -2    5   14 o  453.500   8.9567  266.717   10.521  272.635   15.109  261.144   14.661  458.195   12.730  448.446   12.621 9.749695 17.92599 
1 1 1   -2    5   15 o  463.246   9.0687  278.467   10.882  267.792   15.204  289.678   15.581  453.832   12.934  472.040   12.743 -18.20795 18.15669 
1 1 1   -2    5   16 o  280.279   9.6539  102.011   7.0088  105.227   9.9553   98.851   9.8692  284.302   13.518  275.170   13.891 9.131592 19.38315 
1 1 1   -2    5   17 o  325.697   9.2894  137.708   7.8370  132.804   10.928  142.902   11.246  319.465   13.205  331.400   13.100 -11.93509 18.60113 
1 1 1   -2    5   18 o  347.424   18.698  157.900   16.765  157.900   16.765   0.0000   0.0000  347.424   18.698  ?   ?  0.000000 18.69778 
1 1 1   -2    5   19 o  341.852   9.8067  151.572   8.6838  145.024   12.523  157.637   12.052  334.106   14.470  348.412   13.355 -14.30634 19.69061 
1 1 1   -2    5   20 o  348.986   9.7286  157.906   8.7944  152.876   12.470  162.884   12.405  343.185   14.027  354.269   13.518 -11.08347 19.48087 
1 1 1   -2    5   21 o  454.954   9.8556  268.327   11.614  258.046   16.169  279.286   16.694  445.939   13.998  463.935   13.892 -17.99597 19.72103 
1 1 1   -2    5   22 o  328.271   11.047  139.726   9.3934  141.351   13.024  137.964   13.561  330.005   15.236  325.989   16.060 4.016479 22.13692 
1 1 1   -2    5   23 o  657.987   10.890  561.365   18.560  544.509   26.042  578.766   26.460  647.656   15.523  667.741   15.298 -20.08453 21.79410 
1 1 1   -2    5   24 o  563.674   10.200  411.954   14.893  420.786   21.458  403.746   20.687  569.365   14.550  557.736   14.319 11.62830 20.41403 
1 1 1   -2    5   25 o  265.579   11.599   91.494   7.9795  107.996   11.363   75.437   11.208  287.967   15.288  240.202   18.148 47.76569 23.72905 
1 1 1   -2    5   26 o  514.415   10.536  343.230   14.039  342.072   19.924  344.373   19.785  513.161   14.989  514.899   14.834 -1.738647 21.08870 
1 1 1   -2    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    5   29 o  525.698   10.487  358.726   14.281  364.472   20.421  353.227   19.979  529.290   14.895  521.076   14.802 8.214478 20.99890 
1 1 1   -2    5   30 o  501.262   10.574  326.306   13.730  314.490   19.492  337.942   19.342  491.373   15.314  509.486   14.656 -18.11337 21.19729 
1 1 1   -2    5   31 o  121.338   25.277   20.122   7.6867   23.567   11.132   16.983   10.627  130.337   32.954  111.995   33.801 18.34162 47.20692 
1 1 1   -2    5   32 o  426.673   10.719  236.784   11.846  225.533   17.312  246.693   16.246  415.312   16.092  434.763   14.426 -19.45041 21.61149 
1 1 1   -2    5   33 o  268.669   13.209   94.236   9.1923   95.899   13.182   92.661   12.825  269.248   19.024  264.701   18.827 4.547516 26.76508 
1 1 1   -2    5   34 o  267.331   12.375   93.340   8.5692  102.285   13.517   87.331   11.080  277.697   18.904  257.177   16.723 20.51974 25.23988 
1 1 1   -2    5   35 o  181.576   17.640   43.931   8.1922   44.136   11.818   43.742   11.366  179.066   26.260  178.633   25.268 0.4327850 36.44276 
1 1 1   -2    5   36 o   88.700   26.707   10.877   6.6398   1.3825   10.674   16.871   8.4805   74.267   31.621  108.863   29.388 -34.59555 43.16902 
1 1 1   -2    5   37 o  178.102   25.267   43.987   11.330   61.900   15.594   23.960   16.489  209.469   29.561  127.024   42.555 82.44469 51.81495 
1 1 1   -2    5   38 o  146.016   20.407   29.218   7.5074   28.151   11.304   30.060   10.042  138.189   32.181  145.007   27.745 -6.818512 42.48986 
1 1 1   -2    5   39 o  127.584   23.994   23.073   7.6384   32.045   11.080   14.948   10.544  147.784   29.971  101.519   34.030 46.26495 45.34620 
1 1 1   -2    5   40 o  200.705   15.867   54.210   8.1820   50.174   12.026   57.688   11.164  187.727   25.382  204.012   21.447 -16.28474 33.22990 
1 1 1   -2    5   41 o  205.555   16.063   57.127   8.4847   43.996   11.852   70.929   12.151  173.551   27.264  225.937   21.003 -52.38568 34.41604 
1 1 1   -2    5   42 o  148.109   19.822   30.665   7.4140   32.160   9.9954   28.836   11.054  147.263   27.206  136.079   31.914 11.18413 41.93604 
1 1 1   -2    5   43 o  113.615   25.742   19.335   7.4004   27.276   9.8337   8.9649   11.238  133.070   29.320   84.807   33.875 48.26278 44.80188 
1 1 1   -2    5   44 o  119.162   27.169   21.843   8.2001   18.148   11.594   25.543   11.600  103.997   35.678  123.071   34.823 -19.07340 49.85505 
1 1 1   -2    5   45 o  148.079   22.316   32.221   8.2939   33.778   12.214   30.888   11.299  141.225   33.832  136.152   32.489 5.073502 46.90587 
1 1 1   -2    5   46 o   57.838   28.894 -31.9900   17.830   0.0000   0.0000 -31.9900   17.830  ?   ?    57.838   28.894 0.000000 28.89415 
1 1 1   -2    5   47 o   89.387   30.377   13.618   8.4032   13.924   11.238   13.230   12.656   89.148   34.385   87.950   35.659 1.197777 49.53708 
1 1 1   -2    5   48 o   64.120   27.743   3.3249   8.4682   8.7614   12.419  -1.3989   11.577   78.795   33.842   63.875   29.568 14.92096 44.93961 
1 1 1   -2    5   49 o   55.455   25.695  -2.1612   8.7728   2.2676   12.041  -7.1714   12.807   67.803   30.930   59.637   28.626 8.165985 42.14408 
1 1 1   -2    5   50 o   78.849   28.948   11.245   7.7512   17.142   10.618   4.5167   11.342   90.559   33.763   67.960   30.606 22.59930 45.57042 
1 1 1   -2    6    1 o  659.666   9.3278  563.913   15.939  563.777   22.536  564.049   22.545  659.402   13.194  659.560   13.196 -0.1589966 18.66074 
1 1 1   -2    6    2 o  546.179   8.8039  386.552   12.455  392.241   17.737  381.016   17.495  550.045   12.449  542.117   12.459 7.928223 17.61219 
1 1 1   -2    6    3 o  363.804   8.2631  171.494   7.7868  169.732   10.967  173.285   11.058  361.849   11.701  365.618   11.676 -3.769287 16.52985 
1 1 1   -2    6    4 o  738.198   9.8660  706.229   18.865  701.597   26.618  710.903   26.742  735.535   13.971  740.399   13.944 -4.863770 19.73848 
1 1 1   -2    6    5 o  870.648   12.302  982.760   27.744   0.0000   0.0000  982.760   27.744  ?   ?   870.648   12.302 0.000000 12.30183 
1 1 1   -2    6    6 o  785.932   14.241  801.115   28.992  769.900   39.882  836.100   42.221  769.947   19.997  802.331   20.315 -32.38416 28.50595 
1 1 1   -2    6    7 o  377.193   12.558  184.473   12.270  182.900   17.484  186.000   17.224  375.361   17.982  378.549   17.565 -3.187500 25.13728 
1 1 1   -2    6    8 o  543.932   8.9466  383.413   12.605  384.097   17.923  382.744   17.731  544.253   12.714  543.299   12.599 0.9536743 17.89926 
1 1 1   -2    6    9 o  609.059   9.2627  480.766   14.613  470.004   20.454  491.986   20.885  601.998   13.117  615.917   13.091 -13.91876 18.53173 
1 1 1   -2    6   10 o  542.081   9.0904  380.854   12.764  381.930   18.149  379.802   17.955  542.649   12.912  541.141   12.809 1.507568 18.18781 
1 1 1   -2    6   11 o  460.925   12.339  275.564   14.732   0.0000   0.0000  275.564   14.732  ?   ?   460.925   12.339 0.000000 12.33890 
1 1 1   -2    6   12 o  398.755   8.8647  206.122   9.1563  198.908   12.879  213.495   13.021  391.530   12.699  405.650   12.392 -14.12009 17.74270 
1 1 1   -2    6   13 o  465.697   9.0752  281.220   10.947  281.887   15.610  280.574   15.357  465.963   12.933  464.892   12.753 1.070740 18.16302 
1 1 1   -2    6   14 o  408.188   9.1303  216.155   9.6538  216.743   13.684  215.572   13.622  408.400   12.935  407.297   12.911 1.102875 18.27600 
1 1 1   -2    6   15 o  235.142   10.018   71.804   6.1021   79.369   9.0141   65.404   8.2905  246.487   14.178  223.645   14.387 22.84181 20.19924 
1 1 1   -2    6   16 o  190.771   11.526   47.488   5.6689   50.598   8.3164   44.789   7.7479  196.200   16.518  184.535   16.379 11.66478 23.26179 
1 1 1   -2    6   17 o  315.577   9.9680  129.301   8.1482  122.611   11.563  135.900   11.484  306.877   14.547  323.172   13.718 -16.29562 19.99503 
1 1 1   -2    6   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    6   19 o  730.964   10.286  692.983   19.475  679.891   27.352  706.447   27.737  723.511   14.594  737.516   14.519 -14.00500 20.58637 
1 1 1   -2    6   20 o  508.502   13.590  335.546   17.901   0.0000   0.0000  335.546   17.901  ?   ?   508.502   13.590 0.000000 13.59030 
1 1 1   -2    6   21 o  522.305   9.8635  353.649   13.345  360.110   19.075  347.457   18.675  526.807   13.979  517.472   13.932 9.334839 19.73632 
1 1 1   -2    6   22 o  427.073   10.715  236.479   11.853  239.329   17.248  233.929   16.316  429.385   15.508  424.554   14.837 4.831390 21.46227 
1 1 1   -2    6   23 o  560.637   10.686  407.542   15.518  404.869   22.049  410.166   21.844  558.470   15.242  562.131   15.002 -3.661011 21.38622 
1 1 1   -2    6   24 o  654.740   10.549  555.887   17.892  567.904   25.496  544.228   25.113  661.380   14.882  647.437   14.975 13.94275 21.11218 
1 1 1   -2    6   25 o  726.655   10.925  684.878   20.565  693.996   29.430  676.179   28.747  730.928   15.544  721.506   15.382 9.421204 21.86826 
1 1 1   -2    6   26 o  271.154   12.744   95.441   8.9507   94.699   12.343   96.263   12.999  269.229   17.799  271.346   18.607 -2.116913 25.74917 
1 1 1   -2    6   27 o  652.628   10.665  552.633   18.030  527.171   25.007  580.195   26.018  636.830   15.160  668.110   15.034 -31.27979 21.35056 
1 1 1   -2    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    6   29 o  527.254   10.712  360.936   14.630  344.403   20.765  377.233   20.616  514.329   15.586  538.426   14.782 -24.09705 21.48098 
1 1 1   -2    6   30 o  453.425   10.706  267.063   12.574  260.773   17.576  273.658   17.996  447.390   15.166  458.311   15.159 -10.92093 21.44278 
1 1 1   -2    6   31 o  130.973   23.528   23.259   7.6888   16.090   10.905   30.347   10.843  109.676   34.452  148.673   29.197 -38.99782 45.15966 
1 1 1   -2    6   32 o  343.287   11.354  153.405   10.096  141.669   15.004  163.117   13.648  328.245   17.712  353.339   14.912 -25.09387 23.15318 
1 1 1   -2    6   33 o  208.976   15.648   57.541   8.4089   49.627   11.877   65.494   11.907  191.563   24.497  221.589   20.995 -30.02609 32.26276 
1 1 1   -2    6   34 f  243.859   13.931   78.129   8.7630   54.983   12.482  100.627   12.306  201.273   24.442  275.841   17.310 -74.56863 29.95130 
1 1 1   -2    6   35 o  369.099   15.847  179.385   15.151   0.0000   0.0000  179.385   15.151  ?   ?   369.099   15.847 0.000000 15.84692 
1 1 1   -2    6   36 o  159.229   19.513   34.240   7.8796   22.125   11.154   46.310   11.133  123.316   33.878  183.798   23.953 -60.48252 41.49058 
1 1 1   -2    6   37 o  174.026   35.952   44.840   15.670   0.0000   0.0000   44.840   15.670  ?   ?   174.026   35.952 0.000000 35.95203 
1 1 1   -2    6   38 o  353.837   11.822  164.477   10.835  180.688   15.721  149.809   14.955  368.422   16.473  334.591   17.314 33.83084 23.89867 
1 1 1   -2    6   39 o  232.330   13.594   71.684   8.1453   77.719   12.561   67.305   10.700  238.254   20.554  222.640   18.728 15.61369 27.80641 
1 1 1   -2    6   40 o  217.341   15.478   63.476   8.6568   54.491   12.383   72.063   12.106  195.729   24.996  228.501   20.678 -32.77142 32.44022 
1 1 1   -2    6   41 o  143.549   21.406   29.043   7.7160   35.377   11.442   23.759   10.450  153.307   29.886  123.619   32.284 29.68777 43.99322 
1 1 1   -2    6   42 o   76.480   28.509   7.5590   7.5700   7.7955   11.118   7.3545   10.336   83.011   33.504   80.795   32.412 2.216072 46.61555 
1 1 1   -2    6   43 o  258.244   14.737   90.197   9.8171   86.645   14.259   93.398   13.536  246.207   22.611  257.870   20.433 -11.66254 30.47502 
1 1 1   -2    6   44 o  118.575   27.907   21.918   8.4288   24.549   12.293   19.583   11.579  118.748   36.462  107.065   35.658 11.68305 51.00031 
1 1 1   -2    6   45 o   69.281   28.658   4.9032   8.3834   19.196   11.764  -9.8466   11.950  103.940   35.923   58.432   27.943 45.50808 45.51078 
1 1 1   -2    6   46 f   70.826   31.055   3.5610   10.913  -5.2390   21.094   6.7770   12.752   77.773   37.173   78.523   34.010 -0.7504654 50.38359 
1 1 1   -2    6   47 f  136.512   24.774   29.139   8.4378   35.390   11.603   22.122   12.293  142.501   32.193  106.174   36.720 36.32655 48.83393 
1 1 1   -2    6   48 o  100.187   30.732   17.996   8.7353   19.992   12.940   16.325   11.840   98.492   37.161   91.861   35.333 6.631310 51.27755 
1 1 1   -2    6   49 o  102.445   30.281   19.220   8.5948   20.475   13.005   18.247   11.452   96.671   37.067   94.043   35.064 2.628044 51.02348 
1 1 1   -2    6   50 o   38.626   19.438 -20.9962   8.8185 -27.5777   12.150 -13.6688   12.820   44.403   22.405   53.344   26.264 -8.940178 34.52194 
1 1 1   -2    7    1 o  525.970   8.7316  358.481   11.896  356.501   16.810  360.468   16.837  524.379   12.376  527.291   12.327 -2.911743 17.46776 
1 1 1   -2    7    2 o  517.722   8.7605  347.328   11.748  347.507   16.652  347.151   16.578  517.719   12.417  517.456   12.368 0.2634277 17.52564 
1 1 1   -2    7    3 o  948.964   12.948  1167.67   31.828  1203.00   56.327  1151.09   38.577  962.084   22.603  941.940   15.811 20.14343 27.58361 
1 1 1   -2    7    4 o  493.358   12.264  315.572   15.672  311.200   22.093  320.000   22.236  489.669   17.418  496.552   17.288 -6.882904 24.54108 
1 1 1   -2    7    5 o  653.205   13.437  553.318   22.736  573.500   33.105  535.300   31.279  664.566   19.231  642.089   18.807 22.47760 26.89860 
1 1 1   -2    7    6 o  1063.33   17.089  1467.50   47.069  1466.00   66.595  1469.00   66.537  1061.64   24.217  1062.74   24.171 -1.094238 34.21494 
1 1 1   -2    7    7 f  559.933   10.486  406.401   15.209  371.100   25.459  425.989   18.965  534.600   18.385  573.152   12.774 -38.55255 22.38693 
1 1 1   -2    7    8 o  1001.34   11.622  1300.03   30.146  1307.71   42.895  1292.53   42.376  1003.74   16.498  997.909   16.394 5.827026 23.25802 
1 1 1   -2    7    9 o  402.641   8.8433  210.113   9.2233  213.368   13.134  206.946   12.955  405.610   12.501  399.459   12.521 6.151306 17.69274 
1 1 1   -2    7   10 o  433.794   8.8232  243.901   9.9143  243.753   13.967  244.051   14.076  433.502   12.438  433.762   12.528 -0.2602234 17.65358 
1 1 1   -2    7   11 o  468.605   8.9426  284.658   10.855  279.514   15.369  289.778   15.333  464.134   12.783  472.596   12.525 -8.461914 17.89693 
1 1 1   -2    7   12 o  152.113   11.997   30.213   4.6888   28.352   7.0800   31.668   6.2577  146.362   19.133  155.309   15.774 -8.947128 24.79672 
1 1 1   -2    7   13 o  475.191   9.0857  292.895   11.183  286.103   16.092  299.240   15.553  469.252   13.239  479.987   12.510 -10.73425 18.21425 
1 1 1   -2    7   14 o   96.010   16.922   12.373   4.0546   19.464   6.0746   6.6749   5.4451  120.396   20.194   73.272   24.455 47.12392 31.71480 
1 1 1   -2    7   15 o  267.502   9.8072   92.939   6.7955   92.717   9.9345   93.134   9.3160  266.359   14.453  267.111   13.508 -0.7513428 19.78284 
1 1 1   -2    7   16 o  229.524   10.377   68.434   6.1692   65.529   8.5388   71.606   8.9232  223.774   14.815  233.966   14.800 -10.19196 20.94090 
1 1 1   -2    7   17 o  604.248   13.854  474.834   21.685  499.600   30.406  449.200   30.934  618.692   18.973  586.312   20.369 32.38037 27.83615 
1 1 1   -2    7   18 o  350.148   11.399  159.116   10.339  118.300   18.372  178.033   12.508  299.961   23.842  370.261   13.041 -70.29977 27.17558 
1 1 1   -2    7   19 o  156.272   13.706   31.941   5.4921   34.175   7.9853   29.936   7.5657  160.906   19.561  150.386   19.912 10.52005 27.91257 
1 1 1   -2    7   20 o  695.562   10.289  627.277   18.537  635.373   26.332  619.323   26.100  699.663   14.530  690.764   14.587 8.899292 20.58846 
1 1 1   -2    7   21 o  418.369   10.279  226.922   11.139  216.655   15.963  236.668   15.552  408.557   15.084  427.070   14.059 -18.51352 20.61960 
1 1 1   -2    7   22 o  811.615   11.395  854.210   23.956  854.144   34.367  854.273   33.410  811.046   16.359  811.165   15.901 -0.1189575 22.81314 
1 1 1   -2    7   23 o  361.948   16.086  170.129   15.082   0.0000   0.0000  170.129   15.082  ?   ?   361.948   16.086 0.000000 16.08608 
1 1 1   -2    7   24 o  1108.23   12.914  1593.76   37.071  1556.69   51.690  1633.01   53.195  1094.22   18.237  1120.70   18.325 -26.48157 25.85289 
1 1 1   -2    7   25 o  151.203   17.684   30.132   6.7955   28.044   9.4475   32.370   9.7818  144.319   26.239  155.527   25.138 -11.20749 36.33752 
1 1 1   -2    7   26 o  441.308   11.046  252.688   12.626  245.674   18.191  259.209   17.539  434.694   16.156  446.610   15.161 -11.91669 22.15580 
1 1 1   -2    7   27 o  612.459   12.572  487.118   19.946  498.470   25.181  468.000   32.677  619.093   15.702  598.879   21.065 20.21375 26.27318 
1 1 1   -2    7   28 o  615.533   15.731  493.081   25.081  460.900   36.325  522.400   34.673  593.315   23.636  632.336   21.168 -39.02136 31.72955 
1 1 1   -2    7   29 o  626.124   10.787  509.098   17.495  491.876   24.629  526.637   24.855  614.576   15.471  636.007   15.087 -21.43109 21.60949 
1 1 1   -2    7   30 o  214.216   15.672   60.150   8.6358   54.655   12.432   65.274   12.005  202.424   24.189  222.164   21.114 -19.73984 32.10841 
1 1 1   -2    7   31 o  152.135   20.212   30.904   7.7678   40.616   10.997   21.232   10.974  173.527   25.202  123.595   33.459 49.93192 41.88826 
1 1 1   -2    7   32 o  511.664   10.582  340.688   14.026  359.155   20.945  325.673   18.885  523.948   15.432  499.191   14.605 24.75778 21.24781 
1 1 1   -2    7   33 o  187.889   16.625   46.722   8.0075   51.699   11.829   42.513   10.879  195.620   23.838  176.971   24.380 18.64986 34.09699 
1 1 1   -2    7   34 o  203.335   16.053   54.712   8.3864   52.960   12.092   56.336   11.641  197.420   24.149  204.362   22.356 -6.941223 32.90845 
1 1 1   -2    7   35 f   94.813   25.572   12.587   6.4244   1.9449   10.629   18.713   8.0643   75.237   31.772  115.059   27.443 -39.82107 41.98280 
1 1 1   -2    7   36 o  289.227   12.844  109.767   9.6226  106.175   13.561  113.411   13.657  281.858   18.680  291.581   18.172 -9.723053 26.06050 
1 1 1   -2    7   37 o  206.760   31.188   61.280   16.184   0.0000   0.0000   61.280   16.184  ?   ?   206.760   31.188 0.000000 31.18834 
1 1 1   -2    7   38 o   76.961   26.834   7.6959   6.5712   5.9761   9.0106   9.6495   9.6039   77.501   30.530   87.402   32.202 -9.901566 44.37376 
1 1 1   -2    7   39 o   58.599   24.764   1.2383   6.4652  -6.4967   8.6879   10.837   9.6784   54.225   25.275   89.685   32.435 -35.45999 41.12006 
1 1 1   -2    7   40 o   78.962   26.522   8.6651   6.4047   8.1255   9.4152   9.1300   8.7379   81.960   31.512   83.350   30.715 -1.389732 44.00456 
1 1 1   -2    7   41 o  204.368   15.646   56.487   8.2197   52.163   11.274   61.395   12.010  191.630   23.183  208.494   22.600 -16.86333 32.37623 
1 1 1   -2    7   42 o   57.502   25.053   0.2297   7.0022   2.5604   10.186  -1.8585   9.6415   71.225   30.622   62.723   28.236 8.502254 41.65295 
1 1 1   -2    7   43 o   78.672   28.816   8.6186   7.6740   11.658   11.091   5.8264   10.629   89.538   34.254   77.188   32.127 12.34987 46.96253 
1 1 1   -2    7   44 o  119.688   26.728   22.137   8.0768   24.298   11.631   20.125   11.225  118.521   35.270  108.174   35.064 10.34642 49.73358 
1 1 1   -2    7   45 o   42.884   21.333 -19.2644   9.2956 -13.3438   11.308 -31.6000   16.323   53.471   25.965   55.173   27.576 -1.702591 37.87598 
1 1 1   -2    7   46 o   44.418   21.964 -16.5154   9.3016 -26.6313   11.203   5.9340   16.689   44.203   22.199   81.491   36.874 -37.28773 43.04045 
1 1 1   -2    7   47 o  112.749   29.650   21.807   8.7747   34.835   12.412   8.7881   12.407  137.242   34.849   79.367   33.949 57.87516 48.65215 
1 1 1   -2    7   48 o   54.902   25.298  -1.9199   8.3312  -3.7584   11.035   0.5168   12.705   59.509   27.979   67.428   31.129 -7.919060 41.85492 
1 1 1   -2    7   49 o   71.791   28.848   8.1233   8.2036   22.155   12.856  -1.5162   10.655   99.384   37.131   60.066   27.996 39.31759 46.50255 
1 1 1   -2    8    1 o  672.302   13.407  586.147   23.348  584.700   32.987  587.600   33.050  671.039   18.978  672.702   18.967 -1.662964 26.83124 
1 1 1   -2    8    2 o  514.724   17.560  343.900   23.412   0.0000   0.0000  343.900   23.412  ?   ?   514.724   17.560 0.000000 17.55961 
1 1 1   -2    8    3 o  756.109   11.610  741.166   22.738  729.200   39.086  747.287   27.956  749.241   20.139  759.038   14.219 -9.796997 24.65283 
1 1 1   -2    8    4 o  696.112   13.873  628.494   25.016  625.600   35.338  631.400   35.417  694.008   19.657  697.223   19.611 -3.214417 27.76675 
1 1 1   -2    8    5 o  676.840   11.272  593.899   19.762  589.231   24.093  603.500   34.551  674.011   13.800  681.623   19.569 -7.612122 23.94506 
1 1 1   -2    8    6 o  133.994   12.778   23.495   4.3814   22.870   6.2293   24.108   6.1636  131.370   18.846  135.066   18.070 -3.695679 26.10933 
1 1 1   -2    8    7 o  432.652   8.8150  242.595   9.8790  239.900   20.391  243.421   11.293  429.776   18.316  433.346   10.060 -3.569427 20.89731 
1 1 1   -2    8    8 o  529.490   9.1959  363.385   12.613  341.800   25.692  370.239   14.477  512.853   19.340  534.400   10.458 -21.54669 21.98654 
1 1 1   -2    8    9 o  151.125   11.602   29.793   4.5072   21.503   6.3063   38.450   6.4443  127.115   19.797  171.495   14.647 -44.38045 24.62663 
1 1 1   -2    8   10 o  406.470   8.8878  214.175   9.3578  212.098   13.402  216.151   13.072  404.299   12.797  408.169   12.364 -3.869476 17.79423 
1 1 1   -2    8   11 o  294.963   9.3126  112.817   7.1152  116.532   10.145  109.220   9.9819  299.608   13.072  290.044   13.286 9.563293 18.63881 
1 1 1   -2    8   12 o  277.048   9.3221   99.563   6.6899  103.930   9.3025   94.886   9.6278  282.873   12.696  269.865   13.819 13.00821 18.76594 
1 1 1   -2    8   13 o  475.871   13.024  294.478   16.054   0.0000   0.0000  294.478   16.054  ?   ?   475.871   13.024 0.000000 13.02384 
1 1 1   -2    8   14 f  615.505   9.7018  492.005   15.468  491.678   22.088  492.320   21.669  614.424   13.878  614.891   13.604 -0.4672852 19.43403 
1 1 1   -2    8   15 o  316.331   9.7492  129.962   7.9884  125.756   11.480  133.910   11.123  310.675   14.266  320.704   13.389 -10.02853 19.56504 
1 1 1   -2    8   16 o  315.065   9.9801  128.876   8.1449  129.574   11.861  128.253   11.204  315.492   14.514  313.959   13.777 1.532623 20.01154 
1 1 1   -2    8   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    8   18 o  855.103   10.944  948.549   24.240  965.288   34.744  932.674   33.836  861.903   15.562  847.243   15.418 14.65985 21.90635 
1 1 1   -2    8   19 o  480.728   9.6419  299.612   12.006  290.140   16.866  309.342   17.095  472.819   13.771  488.234   13.517 -15.41443 19.29694 
1 1 1   -2    8   20 o  958.932   11.712  1192.58   29.093  1222.00   42.038  1165.53   40.303  970.005   16.731  947.376   16.424 22.62921 23.44480 
1 1 1   -2    8   21 o  1082.34   12.703  1519.60   35.613  1508.07   50.056  1531.43   50.679  1077.39   17.936  1085.69   18.021 -8.296143 25.42530 
1 1 1   -2    8   22 o  905.085   11.802  1062.45   27.670  1042.07   38.709  1083.74   39.567  895.735   16.683  913.466   16.722 -17.73077 23.62107 
1 1 1   -2    8   23 o  522.903   10.427  354.556   14.122  352.100   20.378  356.826   19.590  520.744   15.107  524.286   14.425 -3.541260 20.88790 
1 1 1   -2    8   24 o  790.676   10.953  810.889   22.432  789.360   31.103  834.224   32.382  779.544   15.403  801.361   15.600 -21.81659 21.92316 
1 1 1   -2    8   25 o  173.130   17.636   39.388   7.7985   45.506   11.693   34.486   10.466  185.001   25.044  160.417   26.084 24.58415 36.16070 
1 1 1   -2    8   26 o  317.145   11.923  130.561   9.7944  118.851   13.487  143.625   14.246  301.722   17.330  332.289   16.552 -30.56653 23.96418 
1 1 1   -2    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    8   28 o   68.344   27.125   3.3137   7.1629   6.2096   9.7506  -0.0809   10.557   83.280   32.056   73.317   31.338 9.962837 44.82875 
1 1 1   -2    8   29 o  116.504   25.455   18.537   7.4672   34.148   10.721   3.8273   10.407  158.845   27.023   79.911   32.358 78.93363 42.15763 
1 1 1   -2    8   30 o  281.323   12.892  103.017   9.3948  102.700   12.884  103.377   13.728  279.692   17.878  280.368   19.015 -0.6764221 26.09988 
1 1 1   -2    8   31 o  337.202   11.844  148.039   10.345  146.789   14.338  149.397   14.941  334.947   16.526  337.357   17.154 -2.410461 23.81953 
1 1 1   -2    8   32 f  194.617   16.597   50.025   8.2871   49.084   11.906   50.909   11.542  190.559   24.702  194.536   23.372 -3.976959 34.00673 
1 1 1   -2    8   33 o   38.683   18.815 -10.3259   6.0021 -20.2614   9.5753  -3.8955   7.7033   45.592   22.495   55.228   25.015 -9.636139 33.64215 
1 1 1   -2    8   34 o  155.249   20.043   32.511   7.8718   32.776   11.287   32.260   10.984  152.560   29.629  151.552   29.038 1.008286 41.48622 
1 1 1   -2    8   35 o  125.084   22.977   21.638   7.1703   18.133   9.7599   25.748   10.569  112.471   31.983  133.907   31.071 -21.43565 44.59079 
1 1 1   -2    8   36 o  140.901   21.763   27.282   7.6870   36.587   9.1893   5.5950   14.029  163.370   22.297   89.319   37.020 74.05138 43.21621 
1 1 1   -2    8   37 o  227.356   22.146   70.721   12.876   31.150   19.397  101.900   17.218  139.775   46.133  271.542   24.750 -131.7671 52.35284 
1 1 1   -2    8   38 o  178.166   17.233   42.864   7.8536   46.003   11.494   40.115   10.756  180.618   25.259  168.384   25.455 12.23389 35.85997 
1 1 1   -2    8   39 o  201.259   15.977   54.538   8.2604   50.806   12.314   57.592   11.138  188.579   25.893  203.852   21.413 -15.27394 33.60015 
1 1 1   -2    8   40 o   76.421   28.180   7.4565   7.3569   12.797   10.371   2.0463   10.438   94.086   33.629   71.913   30.958 22.17357 45.70922 
1 1 1   -2    8   41 o  182.449   17.407   45.620   8.1265   52.001   11.960   40.147   11.076  189.717   24.941  165.111   26.819 24.60677 36.62373 
1 1 1   -2    8   42 o   47.134   22.365  -7.2631   7.3576 -17.0896   10.893   0.9801   9.9773   50.668   24.796   67.817   29.715 -17.14880 38.70176 
1 1 1   -2    8   43 o  183.655   18.417   47.119   8.6435   39.654   12.911   53.182   11.636  156.618   32.872  190.500   24.121 -33.88197 40.77227 
1 1 1   -2    8   44 o   65.862   27.489   3.7586   7.8127   0.2242   11.671   6.6289   10.517   69.087   31.087   76.910   31.979 -7.822174 44.59909 
1 1 1   -2    8   45 o   65.464   31.832 -15.1700   17.150   0.0000   0.0000 -15.1700   17.150  ?   ?    65.464   31.832 0.000000 31.83160 
1 1 1   -2    8   46 o   94.926   31.115   15.692   8.8292   13.365   12.474   18.030   12.499   88.127   35.516   97.333   36.564 -9.205353 50.97389 
1 1 1   -2    8   47 o   64.404   27.451   3.9223   8.0602   5.8693   10.612   1.2675   12.392   72.168   31.141   68.502   31.298 3.665810 44.15144 
1 1 1   -2    8   48 o  137.705   25.235   30.660   8.6695   23.316   11.996   38.690   12.544  105.691   36.289  142.982   34.307 -37.29114 49.93890 
1 1 1   -2    8   49 o   74.790   29.895   9.5853   8.7589   18.183   11.876  -0.6690   12.970   91.534   35.337   64.550   30.343 26.98419 46.57682 
1 1 1   -2    9    1 o  1033.69   16.834  1386.95   45.076  1381.00   63.464  1393.00   64.033  1030.35   23.779  1034.79   23.889 -4.445801 33.70645 
1 1 1   -2    9    2 o  650.297   13.556  548.492   22.835  555.700   32.424  541.400   32.164  654.087   19.137  645.607   19.233 8.480103 27.13239 
1 1 1   -2    9    3 o  619.800   9.4463  497.892   15.166  498.193   21.532  497.595   21.364  619.763   13.413  619.397   13.316 0.3657227 18.89983 
1 1 1   -2    9    4 o  487.508   8.9934  308.016   11.357  312.941   16.171  303.224   15.953  491.227   12.709  483.539   12.737 7.688141 17.99276 
1 1 1   -2    9    5 o  325.966   9.0901  137.712   7.6752  136.197   10.991  139.153   10.723  324.045   13.094  327.559   12.638 -3.514191 18.19805 
1 1 1   -2    9    6 o  239.436   10.135   74.319   6.2856   67.742   8.8978   80.871   8.8805  227.964   15.155  249.288   13.807 -21.32350 20.50080 
1 1 1   -2    9    7 o  393.496   10.496  200.755   10.698  202.100   19.169  200.146   12.893  394.351   18.766  392.804   12.672 1.547485 22.64379 
1 1 1   -2    9    8 o  152.026   16.234   30.356   6.2940   30.820   10.922   30.125   7.7012  151.118   28.957  150.859   20.216 0.2588348 35.31594 
1 1 1   -2    9    9 o  589.832   9.4711  451.073   14.470  454.700   29.448  449.918   16.615  591.203   19.229  588.974   10.891 2.228943 22.09902 
1 1 1   -2    9   10 o  344.265   8.9263  153.675   7.9600  153.457   11.180  153.899   11.336  343.828   12.553  344.313   12.711 -0.4851990 17.86420 
1 1 1   -2    9   11 o  424.082   9.1309  233.280   10.030  230.952   14.229  235.579   14.141  421.631   13.029  425.854   12.820 -4.223358 18.27811 
1 1 1   -2    9   12 o  312.431   9.6132  126.704   7.7798  130.738   11.186  122.925   10.827  317.012   13.622  307.395   13.598 9.616669 19.24772 
1 1 1   -2    9   13 o  718.357   14.405  672.391   26.804   0.0000   0.0000  672.391   26.804  ?   ?   718.357   14.405 0.000000 14.40495 
1 1 1   -2    9   14 o  299.661   9.8160  116.641   7.6193  119.370   11.096  114.205   10.481  302.672   14.153  296.112   13.664 6.559509 19.67299 
1 1 1   -2    9   15 o  234.073   10.535   71.170   6.3874   68.142   9.2438   73.936   8.8363  228.098   15.741  237.848   14.410 -9.750656 21.34131 
1 1 1   -2    9   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    9   17 o  410.848   9.5237  218.915   10.135  215.049   14.173  222.962   14.500  406.928   13.446  414.341   13.510 -7.413452 19.06073 
1 1 1   -2    9   18 o  1147.69   12.959  1709.36   38.527  1705.12   54.417  1713.62   54.553  1145.12   18.346  1147.97   18.346 -2.853271 25.94479 
1 1 1   -2    9   19 o  833.640   10.989  901.201   23.730  902.155   33.898  900.285   33.229  833.537   15.700  832.713   15.405 0.8247681 21.99598 
1 1 1   -2    9   20 o  1022.35   12.295  1355.72   32.560  1346.79   46.081  1364.63   46.012  1018.20   17.472  1024.95   17.331 -6.743591 24.60924 
1 1 1   -2    9   21 o  510.678   10.835  338.161   14.333  337.324   20.881  338.908   19.709  509.707   15.816  510.974   14.891 -1.267487 21.72274 
1 1 1   -2    9   22 o  283.019   12.549  103.917   9.1995  108.502   13.046   99.382   12.974  288.434   17.545  275.917   18.256 12.51691 25.32035 
1 1 1   -2    9   23 o  181.887   15.926   43.303   7.4277   47.393   9.9455   38.143   11.170  189.719   20.567  168.948   26.386 20.77026 33.45480 
1 1 1   -2    9   24 o  286.901   12.873  106.842   9.5665  109.389   13.707  104.424   13.358  289.393   18.381  282.727   18.339 6.665283 25.96467 
1 1 1   -2    9   25 o  421.459   10.892  230.465   11.891  235.059   16.421  225.401   17.243  425.307   14.906  416.375   15.987 8.932648 21.85785 
1 1 1   -2    9   26 o  654.114   10.963  555.292   18.575  530.393   25.933  581.524   26.618  638.595   15.677  668.724   15.366 -30.12848 21.95241 
1 1 1   -2    9   27 o  354.666   23.092  165.300   21.099   0.0000   0.0000  165.300   21.099  ?   ?   354.666   23.092 0.000000 23.09207 
1 1 1   -2    9   28 o  437.391   11.267  248.499   12.765  242.758   18.180  254.081   17.927  431.630   16.261  441.677   15.669 -10.04663 22.58163 
1 1 1   -2    9   29 o  203.135   16.272   54.168   8.4901   54.264   11.883   54.068   12.134  201.955   23.133  201.452   23.708 0.5034637 33.12395 
1 1 1   -2    9   30 o  236.399   13.585   73.060   8.2839   74.730   11.971   71.526   11.475  237.913   19.599  232.813   19.200 5.100174 27.43630 
1 1 1   -2    9   31 o   63.219   26.369   1.3268   7.1820   8.5214   10.119  -5.9757   10.195   88.684   32.981   62.445   28.476 26.23868 43.57298 
1 1 1   -2    9   32 o  347.971   12.054  157.975   10.865  149.242   15.331  166.786   15.400  336.372   17.658  356.354   16.684 -19.98251 24.29263 
1 1 1   -2    9   33 o  209.236   15.284   57.791   8.2266   57.242   12.203   58.249   11.138  205.709   23.312  208.384   20.918 -2.674973 31.32091 
1 1 1   -2    9   34 o   79.668   25.991   8.3958   6.1635   4.8175   9.0944   11.436   8.3821   76.502   30.501   92.225   30.321 -15.72335 43.00778 
1 1 1   -2    9   35 o  103.882   25.142   15.218   6.6926   17.076   8.5884   12.345   10.679  109.230   29.611   97.053   34.185 12.17766 45.22660 
1 1 1   -2    9   36 o  280.264   29.142  110.400   20.847   0.0000   0.0000  110.400   20.847  ?   ?   280.264   29.142 0.000000 29.14162 
1 1 1   -2    9   37 o  211.766   17.012   60.190   9.2529   53.266   12.484   68.630   13.784  195.068   25.303  222.325   24.332 -27.25742 35.10368 
1 1 1   -2    9   38 o  230.806   15.179   71.220   9.0244   78.849   13.234   64.590   12.337  239.195   21.593  215.843   22.393 23.35188 31.10759 
1 1 1   -2    9   39 o  129.630   23.869   24.074   7.7193   19.192   11.485   28.097   10.425  111.087   35.411  136.667   30.249 -25.58056 46.57196 
1 1 1   -2    9   40 o   62.180   25.643   2.7219   6.6835   0.4662   10.021   4.5294   8.9702   67.934   29.773   72.564   29.791 -4.630005 42.11792 
1 1 1   -2    9   41 o   62.417   26.483   1.9039   7.4413   10.363   10.465  -6.7470   10.583   87.261   33.300   59.432   27.767 27.82930 43.35777 
1 1 1   -2    9   42 o  244.429   14.566   80.809   9.1804   73.547   12.825   88.441   13.148  227.037   22.087  250.747   20.420 -23.70973 30.07955 
1 1 1   -2    9   43 o   65.778   26.938   4.0710   7.3122   1.5103   10.051   6.9503   10.658   67.769   29.756   78.467   32.373 -10.69727 43.97133 
1 1 1   -2    9   44 o  209.306   16.492   60.900   8.8689   65.024   12.846   57.145   12.260  208.443   24.245  194.639   24.886 13.80423 34.74386 
1 1 1   -2    9   45 o  141.313   42.994   42.010   17.142   0.0000   0.0000   42.010   17.142  ?   ?   141.313   42.994 0.000000 42.99422 
1 1 1   -2    9   46 o   50.589   23.595  -3.8419   7.5897  -3.1451   11.445  -4.3889   10.140   62.084   28.962   57.522   26.972 4.561417 39.57681 
1 1 1   -2    9   47 o   71.133   29.191   6.9643   8.6081   10.705   12.046   3.0618   12.305   80.993   33.993   70.051   31.683 10.94174 46.46842 
1 1 1   -2    9   48 o   61.229   26.805   2.8564   8.1024  -1.5372   12.204   6.3194   10.835   63.330   29.662   71.273   31.105 -7.943638 42.98061 
1 1 1   -2    9   49 o   66.777   28.533   6.0142   8.7465   10.757   12.157   0.9252   12.593   77.022   33.283   64.924   30.319 12.09756 45.02226 
1 1 1   -2   10    1 o  1013.19   11.776  1331.18   30.906  1342.08   43.966  1320.54   43.455  1016.70   16.694  1008.52   16.634 8.184570 23.56714 
1 1 1   -2   10    2 o  906.246   11.079  1064.86   26.008  1073.44   37.009  1056.48   36.556  909.386   15.711  902.181   15.643 7.204956 22.17065 
1 1 1   -2   10    3 o  1027.17   11.893  1368.25   31.643  1398.00   45.596  1340.61   43.949  1037.57   16.965  1016.09   16.698 21.47906 23.80420 
1 1 1   -2   10    4 o  331.983   9.0997  142.855   7.8251  139.820   11.109  145.843   11.025  328.301   13.063  335.312   12.693 -7.011475 18.21410 
1 1 1   -2   10    5 o  110.857   16.215   16.294   4.5186   10.469   6.6046   21.420   6.1954   89.097   26.593  126.910   19.468 -37.81365 32.95733 
1 1 1   -2   10    6 o  352.265   9.3550  160.867   8.5362  159.323   12.273  162.314   11.880  350.392   13.523  353.693   12.967 -3.301239 18.73530 
1 1 1   -2   10    7 o  347.768   9.4410  156.804   8.5047  157.773   11.964  155.815   12.093  348.663   13.247  346.480   13.474 2.183014 18.89478 
1 1 1   -2   10    8 o  215.481   12.106   60.443   6.7295   53.000   12.087   63.787   8.1012  200.163   23.778  221.174   14.216 -21.01071 27.70321 
1 1 1   -2   10    9 o  102.965   18.184   14.207   4.6725   14.940   11.811   14.071   5.0876  108.773   36.004  102.183   19.937 6.590355 41.15551 
1 1 1   -2   10   10 o  189.925   12.227   47.050   5.9834   49.940   14.647   46.471   6.5554  192.386   30.401  188.601   13.508 3.785538 33.26671 
1 1 1   -2   10   11 o  308.529   10.975  123.662   8.7710  116.700   17.101  126.148   10.217  297.489   22.355  311.457   12.664 -13.96841 25.69339 
1 1 1   -2   10   12 o   81.682   19.740   9.0883   4.1301   9.6189   5.3147   8.2794   6.5622   84.256   23.477   80.964   26.838 3.291443 35.65769 
1 1 1   -2   10   13 o  315.012   14.014  129.304   11.435  129.304   11.435   0.0000   0.0000  315.012   14.014  ?   ?  0.000000 14.01403 
1 1 1   -2   10   14 o  631.844   9.9480  518.468   16.282  515.473   23.104  521.422   22.948  629.137   14.177  632.800   14.000 -3.662842 19.92471 
1 1 1   -2   10   15 o  449.655   18.189  263.700   21.185  263.700   21.185   0.0000   0.0000  449.655   18.189  ?   ?  0.000000 18.18878 
1 1 1   -2   10   16 o  330.263   12.497  141.626   10.691  115.800   20.283  151.561   12.581  296.135   26.730  341.523   14.221 -45.38766 30.27817 
1 1 1   -2   10   17 o  295.791   10.110  113.462   7.7464  109.358   10.762  117.874   11.159  290.204   14.317  301.293   14.298 -11.08813 20.23374 
1 1 1   -2   10   18 o  391.824   9.8902  199.052   10.038  192.354   14.565  205.112   13.853  384.933   14.608  397.563   13.452 -12.63055 19.85816 
1 1 1   -2   10   19 o  740.412   10.780  710.855   20.675  727.653   29.918  695.500   28.605  748.646   15.428  731.957   15.087 16.68835 21.57865 
1 1 1   -2   10   20 o   54.795   24.467  -2.9885   7.0801   2.3880   10.310  -7.7859   9.7394   77.385   31.874   59.098   27.274 18.28689 41.95004 
1 1 1   -2   10   21 o  368.800   11.400  176.400   10.890  177.340   15.834  175.557   15.002  369.500   16.543  367.687   15.751 1.813110 22.84244 
1 1 1   -2   10   22 o  706.594   10.729  647.505   19.638  642.676   28.352  651.957   27.226  703.435   15.560  708.587   14.833 -5.151978 21.49755 
1 1 1   -2   10   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   10   24 o  352.109   11.439  160.879   10.434  159.153   14.431  162.770   15.103  349.904   15.922  353.812   16.479 -3.907562 22.91429 
1 1 1   -2   10   25 o  285.223   13.311  105.670   9.8341   92.769   13.846  118.803   13.970  265.985   20.248  301.542   17.967 -35.55731 27.07018 
1 1 1   -2   10   26 o  270.104   31.399   97.450   21.558   0.0000   0.0000   97.450   21.558  ?   ?   270.104   31.399 0.000000 31.39897 
1 1 1   -2   10   27 o  238.962   14.305   74.546   8.8137   78.044   11.996   70.443   12.992  243.777   19.152  231.003   21.977 12.77379 29.15145 
1 1 1   -2   10   28 o  502.766   10.975  328.382   14.294  330.375   20.513  326.502   19.928  503.480   15.729  500.592   15.368 2.888458 21.99051 
1 1 1   -2   10   29 o  126.131   24.153   21.640   7.6037   22.783   10.287   20.263   11.290  128.257   31.250  121.245   34.371 7.011261 46.45359 
1 1 1   -2   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   10   31 o  257.060   13.306   86.509   8.8297   84.742   13.048   88.001   11.993  252.693   20.100  258.127   18.051 -5.434326 27.01522 
1 1 1   -2   10   32 o  683.340   15.896  613.282   28.136  613.282   28.136   0.0000   0.0000  683.340   15.896  ?   ?  0.000000 15.89561 
1 1 1   -2   10   33 o   65.431   26.605   2.6975   7.0685   2.0572   9.4108   3.5265   10.707   71.865   30.097   78.519   32.426 -6.654037 44.24114 
1 1 1   -2   10   34 o   96.242   26.400   13.025   6.7794   10.916   8.9457   15.869   10.391   91.234   31.338  106.212   33.663 -14.97871 45.99197 
1 1 1   -2   10   35 o  112.309   23.612   17.675   6.6511   25.586   10.371   12.148   8.6687  133.007   30.720   93.981   30.832 39.02554 43.52402 
1 1 1   -2   10   36 o   61.038   29.312 -16.5800   13.462   0.0000   0.0000 -16.5800   13.462  ?   ?    61.038   29.312 0.000000 29.31217 
1 1 1   -2   10   37 o  166.484   19.174   37.816   8.1175   43.062   11.550   32.695   11.411  174.080   26.446  149.081   30.575 24.99934 40.42602 
1 1 1   -2   10   38 o  207.939   15.045   57.939   8.0491   57.642   12.035   58.179   10.827  202.783   23.338  205.421   20.626 -2.637360 31.14630 
1 1 1   -2   10   39 o  160.309   17.842   35.228   7.2830   35.535   9.9245   34.870   10.721  156.896   25.279  153.694   27.959 3.201691 37.69296 
1 1 1   -2   10   40 o   51.183   22.983  -1.8370   6.3416  -5.6849   8.1057   4.2352   10.182   52.344   24.404   74.542   31.267 -22.19809 39.66307 
1 1 1   -2   10   41 o  128.073   22.901   23.788   7.3186   28.787   9.8967   17.755   10.872  137.241   28.759  104.896   34.534 32.34554 44.94133 
1 1 1   -2   10   42 o  182.882   19.017   46.911   8.8771   41.771   12.501   52.139   12.607  163.061   30.725  186.201   26.921 -23.13919 40.85030 
1 1 1   -2   10   43 o   75.697   28.144   8.0596   7.3679   18.272   11.515   0.9805   9.5873  102.843   35.541   65.355   28.865 37.48797 45.78580 
1 1 1   -2   10   44 o   76.985   31.215   7.8371   9.6989   18.030   12.372  -8.4140   15.622   99.678   36.576   67.499   32.187 32.17975 48.72142 
1 1 1   -2   10   45 o   81.896   36.521   7.6250   15.722   0.0000   0.0000   7.6250   15.722  ?   ?    81.896   36.521 0.000000 36.52145 
1 1 1   -2   10   46 o   92.640   36.433   16.681   12.813   16.681   12.813   0.0000   0.0000   92.640   36.433  ?   ?  0.000000 36.43344 
1 1 1   -2   10   47 f  107.156   30.986   20.955   9.0881   19.565   13.264   22.186   12.477   95.818   37.245  102.360   36.854 -6.542084 52.39676 
1 1 1   -2   10   48 o   98.119   32.037   18.822   9.3639   13.996   13.402   23.424   13.089   83.544   35.498  100.971   37.517 -17.42769 51.64941 
1 1 1   -2   10   49 o   59.754   26.678   2.6504   8.4152  -3.7431   12.743   7.5950   11.206   59.982   28.729   70.795   31.240 -10.81322 42.44181 
1 1 1   -2   11    1 o  630.405   9.5718  515.208   15.630  515.244   22.028  515.171   22.181  630.125   13.496  630.072   13.591 0.5285645E-01 19.15331 
1 1 1   -2   11    2 o  597.309   13.358  462.971   20.668   0.0000   0.0000  462.971   20.668  ?   ?   597.309   13.358 0.000000 13.35822 
1 1 1   -2   11    3 o  313.902   13.288  127.869   10.804   0.0000   0.0000  127.869   10.804  ?   ?   313.902   13.288 0.000000 13.28801 
1 1 1   -2   11    4 o  238.233   10.307   73.598   6.3605   73.418   8.9865   73.779   9.0038  237.337   14.690  237.922   14.681 -0.5849457 20.76857 
1 1 1   -2   11    5 o   86.048   21.302   10.025   4.7228   9.4837   6.9658   10.486   6.4249   86.168   27.589   88.886   26.155 -2.717598 38.01633 
1 1 1   -2   11    6 o  298.385   9.4812  115.456   7.3281  117.785   10.441  113.195   10.287  301.194   13.383  295.264   13.450 5.929535 18.97442 
1 1 1   -2   11    7 o  308.002   10.083  123.061   8.0441  126.243   11.857  120.349   10.949  311.679   14.687  304.370   13.887 7.308716 20.21301 
1 1 1   -2   11    8 o  164.232   13.815   35.304   5.8226   42.682   8.8793   29.737   7.7122  179.888   19.361  149.590   20.438 30.29736 28.15224 
1 1 1   -2   11    9 o  135.580   13.428   24.139   4.6540   37.690   12.945   22.127   4.9874  166.170   31.222  129.494   15.156 36.67587 34.70560 
1 1 1   -2   11   10 o  701.722   10.257  639.635   18.643  597.800   36.888  653.987   21.606  675.180   21.092  709.221   11.761 -34.04156 24.14936 
1 1 1   -2   11   11 o  243.807   11.568   77.310   7.3054   67.100   17.015   79.617   8.0889  222.568   30.302  246.994   12.686 -24.42590 32.84995 
1 1 1   -2   11   12 o  580.661   9.9282  438.037   14.933  415.000   30.933  445.038   17.051  562.084   21.245  585.026   11.252 -22.94116 24.04113 
1 1 1   -2   11   13 o  324.082   9.9290  136.400   8.3351  120.664   11.581  153.309   12.006  304.325   14.691  343.188   13.505 -38.86249 19.95559 
1 1 1   -2   11   14 o  577.192   18.870  434.800   28.213  434.800   28.213   0.0000   0.0000  577.192   18.870  ?   ?  0.000000 18.87025 
1 1 1   -2   11   15 o  326.075   12.358  138.063   10.438  137.800   20.126  138.159   12.209  323.712   24.177  326.034   14.456 -2.322144 28.16883 
1 1 1   -2   11   16 o  355.500   14.215  164.120   13.090  164.120   13.090   0.0000   0.0000  355.500   14.215  ?   ?  0.000000 14.21550 
1 1 1   -2   11   17 o  1122.01   12.820  1633.50   37.259  1644.80   53.227  1622.65   52.174  1124.80   18.268  1117.26   18.028 7.545532 25.66613 
1 1 1   -2   11   18 o  832.111   11.170  897.949   24.075  900.532   34.364  895.458   33.740  832.744   15.931  830.429   15.685 2.315735 22.35656 
1 1 1   -2   11   19 o  275.235   11.962   98.258   8.5281   90.830   12.323  105.087   11.815  263.756   18.147  284.013   16.126 -20.25726 24.27655 
1 1 1   -2   11   20 o  467.141   11.010  282.993   13.323  276.369   18.957  289.456   18.727  461.322   15.864  472.161   15.312 -10.83942 22.04839 
1 1 1   -2   11   21 o  759.701   11.015  748.539   21.675  743.294   30.695  753.756   30.611  756.493   15.665  761.819   15.512 -5.326233 22.04566 
1 1 1   -2   11   22 f  555.014   10.408  399.511   14.963  378.860   21.154  420.189   21.168  540.065   15.122  568.840   14.366 -28.77551 20.85794 
1 1 1   -2   11   23 o  327.280   11.172  138.973   9.4710  126.000   12.875  154.272   13.982  310.928   16.040  344.529   15.667 -33.60049 22.42195 
1 1 1   -2   11   24 o  245.286   14.480   78.454   9.1590   74.924   12.943   81.996   12.963  238.751   21.147  250.003   20.190 -11.25159 29.23719 
1 1 1   -2   11   25 o   71.736   30.209   0.8960   9.5654   10.344   11.515 -20.1400   17.182   97.119   35.339   72.255   34.253 24.86386 49.21531 
1 1 1   -2   11   26 o  341.199   23.021  153.100   20.227   0.0000   0.0000  153.100   20.227  ?   ?   341.199   23.021 0.000000 23.02071 
1 1 1   -2   11   27 o  234.976   14.618   72.151   8.8533   73.258   13.148   71.232   11.975  235.518   21.799  232.555   20.076 2.962814 29.63515 
1 1 1   -2   11   28 o  191.899   15.631   48.338   7.7022   43.434   10.511   54.026   11.320  180.379   23.020  201.703   22.024 -21.32414 31.85838 
1 1 1   -2   11   29 o  240.816   21.148   76.822   13.058   76.822   13.058   0.0000   0.0000  240.816   21.148  ?   ?  0.000000 21.14816 
1 1 1   -2   11   30 o  273.264   12.543   97.359   8.8787   87.454   12.697  106.836   12.420  257.168   19.199  285.004   16.899 -27.83615 25.57722 
1 1 1   -2   11   31 o   50.072   22.919  -4.3174   6.6846 -10.3980   9.7511   1.0734   9.1814   55.154   26.044   69.666   29.480 -14.51248 39.33672 
1 1 1   -2   11   32 o  151.862   19.377   31.013   7.4486   28.262   11.410   33.056   9.8326  140.830   32.006  154.945   25.377 -14.11481 40.84566 
1 1 1   -2   11   33 o  328.267   17.469  142.943   14.800   0.0000   0.0000  142.943   14.800  ?   ?   328.267   17.469 0.000000 17.46870 
1 1 1   -2   11   34 f  108.272   26.238   16.612   7.2814   16.425   9.7572   16.847   10.939  107.190   32.398  108.759   34.547 -1.569099 47.36142 
1 1 1   -2   11   35 o   81.681   31.227   7.3040   9.2132   8.2052   10.976   5.1540   16.953   87.349   33.900   94.183   39.968 -6.833595 52.40899 
1 1 1   -2   11   36 o  249.466   16.174   83.145   10.395   71.487   13.488  100.200   16.314  227.577   23.205  269.473   23.610 -41.89676 33.10425 
1 1 1   -2   11   37 o  111.456   23.907   17.776   6.6952   10.923   9.0829   25.930   9.9078   89.321   31.520  132.366   29.635 -43.04413 43.26348 
1 1 1   -2   11   38 o  173.596   16.781   40.914   7.4518   45.859   9.5754   33.320   11.866  181.776   20.706  147.997   31.894 33.77913 38.02564 
1 1 1   -2   11   39 o  152.466   20.334   32.531   7.8304   36.334   11.230   28.932   10.925  155.793   28.891  136.907   31.465 18.88542 42.71680 
1 1 1   -2   11   40 o   74.096   27.796   6.9795   7.2181   11.242   11.003   3.7594   9.5635   89.680   34.164   71.865   30.231 17.81525 45.61889 
1 1 1   -2   11   41 o   96.667   29.376   14.552   8.0063   15.449   11.187   13.611   11.464   98.405   34.953   94.243   35.092 4.161644 49.52950 
1 1 1   -2   11   42 o  123.937   25.717   23.336   7.9856   20.925   11.980   25.264   10.713  109.871   36.255  123.399   32.910 -13.52710 48.96442 
1 1 1   -2   11   43 o  121.051   27.169   23.064   8.3098   18.023   11.842   27.955   11.664  101.014   35.953  126.551   34.592 -25.53738 49.89246 
1 1 1   -2   11   44 o   53.948   26.108 -11.7139   11.186 -15.3900   14.703  -6.6630   17.235   59.878   29.195   71.041   33.857 -11.16325 44.70591 
1 1 1   -2   11   45 o  116.377   31.288   23.812   9.6356   22.763   11.830   25.880   16.610  108.034   36.045  107.127   41.668 0.9068146 55.09528 
1 1 1   -2   11   46 o   67.045   28.262   5.1675   8.3862   0.5311   11.588   10.266   12.152   65.648   30.095   80.215   33.928 -14.56680 45.35254 
1 1 1   -2   11   47 o   56.631   25.597   0.2253   8.0175   11.139   11.837  -9.0256   10.898   79.886   33.621   53.475   25.853 26.41111 42.41122 
1 1 1   -2   11   48 o   69.155   28.893   7.2151   8.6431   7.4348   11.965   6.9753   12.498   72.265   32.065   72.060   32.318 0.2049179 45.52554 
1 1 1   -2   12    1 o  724.945   10.109  681.628   18.984  704.834   27.359  660.082   26.362  736.653   14.338  712.892   14.276 23.76111 20.23335 
1 1 1   -2   12    2 o  544.301   9.3658  384.188   13.205  390.892   18.788  377.644   18.563  548.688   13.219  539.303   13.288 9.385620 18.74364 
1 1 1   -2   12    3 o  455.919   9.3448  269.567   11.036  273.748   15.688  265.472   15.527  459.141   13.191  452.142   13.258 6.999451 18.70219 
1 1 1   -2   12    4 o   90.910   21.022   11.209   4.8517   10.524   6.7622   11.935   6.9649   89.290   26.967   94.356   27.080 -5.065681 38.21707 
1 1 1   -2   12    5 o  531.023   9.4910  365.797   13.055  371.829   18.808  360.189   18.135  534.938   13.574  526.533   13.297 8.404907 19.00120 
1 1 1   -2   12    6 o  155.131   14.481   31.570   5.7516   38.293   8.0380   24.516   8.2334  170.376   18.511  134.746   24.491 35.63055 30.69995 
1 1 1   -2   12    7 o   84.598   23.638   9.6611   5.3800   0.7072   7.4578   19.377   7.7688   63.345   26.674  119.129   25.913 -55.78412 37.18901 
1 1 1   -2   12    8 o  289.880   10.800  109.185   8.1098  108.464   11.536  109.889   11.403  288.018   15.520  289.958   15.236 -1.940582 21.74860 
1 1 1   -2   12    9 o  100.521   23.112   13.824   5.8922   25.710   9.2948   5.8379   7.6186  137.057   27.141   76.101   28.555 60.95596 39.39576 
1 1 1   -2   12   10 o  369.610   12.182  177.790   11.663  178.500   21.044  177.476   14.011  367.655   22.201  368.883   14.663 -1.228119 26.60674 
1 1 1   -2   12   11 o  452.447   9.7828  265.916   11.465  273.500   25.618  264.017   12.821  456.215   21.678  450.654   10.983 5.561096 24.30184 
1 1 1   -2   12   12 o  430.315   9.7861  240.437   10.908  242.100   24.401  240.021   12.194  429.042   22.031  429.805   10.953 -0.7632751 24.60333 
1 1 1   -2   12   13 o  373.684   20.446  183.000   19.716   0.0000   0.0000  183.000   19.716  ?   ?   373.684   20.446 0.000000 20.44604 
1 1 1   -2   12   14 o  564.740   11.653  414.010   17.047  428.500   31.029  407.747   20.401  573.088   20.903  560.160   14.060 12.92719 25.19162 
1 1 1   -2   12   15 o   82.676   23.677   9.1270   5.3294   9.0849   7.9564   9.1612   7.1776   86.710   29.558   85.455   28.056 1.254852 40.75340 
1 1 1   -2   12   16 o  398.134   10.210  205.544   10.529  210.467   15.164  200.962   14.631  402.622   14.540  393.438   14.357 9.184479 20.43344 
1 1 1   -2   12   17 o  408.445   10.471  216.323   11.078  217.666   15.895  215.055   15.447  409.457   14.986  407.016   14.652 2.441223 20.95879 
1 1 1   -2   12   18 o  497.009   10.379  320.290   13.361  310.805   18.680  330.227   19.119  489.312   14.738  504.376   14.634 -15.06467 20.76942 
1 1 1   -2   12   19 o  449.157   11.158  261.638   12.982  238.366   18.433  284.538   18.285  428.366   16.613  468.141   15.079 -39.77533 22.43547 
1 1 1   -2   12   20 o  334.106   11.465  144.794   9.9220  137.008   14.026  152.594   14.038  324.289   16.755  342.751   15.811 -18.46249 23.03726 
1 1 1   -2   12   21 o  725.766   10.886  683.234   20.466  693.717   29.556  673.577   28.367  730.729   15.615  720.101   15.208 10.62799 21.79673 
1 1 1   -2   12   22 o  690.228   15.573  619.144   27.842  619.144   27.842   0.0000   0.0000  690.228   15.573  ?   ?  0.000000 15.57263 
1 1 1   -2   12   23 o  1012.21   12.422  1330.20   32.569  1285.59   45.300  1377.94   46.859  993.880   17.596  1028.96   17.581 -35.08234 24.87370 
1 1 1   -2   12   24 o  208.309   16.857   56.847   9.0179   48.990   12.901   64.354   12.610  191.500   26.737  220.832   22.353 -29.33199 34.85022 
1 1 1   -2   12   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   12   26 o   42.446   20.290  -8.5528   6.2876  -2.2496   8.6951 -15.4609   9.1028   62.693   27.599   48.007   23.308 14.68583 36.12424 
1 1 1   -2   12   27 o  332.828   12.013  144.031   10.357  127.050   15.505  157.713   13.917  311.047   19.340  347.835   15.446 -36.78784 24.75101 
1 1 1   -2   12   28 o  116.002   24.130   18.389   7.0144   25.421   9.4742   9.8590   10.435  136.064   27.820   92.991   33.671 43.07307 43.67719 
1 1 1   -2   12   29 o   64.773   26.672   1.9377   7.2167  -2.1993   10.485   5.6617   9.9480   68.972   30.336   81.816   32.127 -12.84442 44.18568 
1 1 1   -2   12   30 o  161.151   18.393   34.605   7.5402   36.530   10.202   32.289   11.193  163.841   24.817  152.418   29.417 11.42274 38.48653 
1 1 1   -2   12   31 o   85.877   28.427   9.6543   7.3628   2.5391   10.540   16.436   10.290   76.494   31.928  108.613   33.360 -32.11945 46.17679 
1 1 1   -2   12   32 o  226.371   14.941   67.652   8.7114   58.774   12.433   76.214   12.210  208.002   23.487  238.623   19.936 -30.62138 30.80727 
1 1 1   -2   12   33 o   49.971   22.753  -3.5885   6.4783 -11.0355   9.3306   3.3425   9.0016   52.361   24.942   72.807   29.861 -20.44603 38.90760 
1 1 1   -2   12   34 o  153.472   18.644   31.842   7.2594   24.643   11.296   36.908   9.4753  129.389   33.455  163.724   22.975 -34.33456 40.58425 
1 1 1   -2   12   35 o  166.027   43.632   43.970   19.010   0.0000   0.0000   43.970   19.010  ?   ?   166.027   43.632 0.000000 43.63177 
1 1 1   -2   12   36 o   92.173   26.771   12.236   6.7705   15.586   8.7107   7.1227   10.761  102.909   30.500   83.494   33.213 19.41515 45.09273 
1 1 1   -2   12   37 o   57.109   24.734   0.1254   6.7445  -7.3263   8.8296   10.563   10.450   53.574   25.137   89.595   33.477 -36.02089 41.86344 
1 1 1   -2   12   38 o   81.552   27.575   9.3875   6.9240   5.9612   10.488   12.035   9.2186   79.001   32.297   91.129   31.783 -12.12836 45.31279 
1 1 1   -2   12   39 o  142.476   21.808   28.903   7.7923   9.6086   11.416   45.731   10.662   87.007   34.336  178.482   23.644 -91.47514 41.68916 
1 1 1   -2   12   40 o  103.632   28.196   16.548   7.7702   9.5543   10.532   24.900   11.510   84.911   33.138  122.964   34.651 -38.05295 47.94601 
1 1 1   -2   12   41 o  139.453   21.011   27.935   7.3543   26.479   9.6593   29.943   11.344  129.852   29.401  135.535   32.690 -5.682693 43.96647 
1 1 1   -2   12   42 o   72.158   27.487   6.9225   7.1225   16.115   9.5351  -4.6818   10.713   98.454   32.338   60.632   28.197 37.82196 42.90449 
1 1 1   -2   12   43 o   46.586   22.381  -8.5273   7.8659 -25.8064   10.803   10.971   11.476   43.710   21.931   84.857   34.113 -41.14668 40.55398 
1 1 1   -2   12   44 f   63.874   31.507 -20.8400   18.741   0.0000   0.0000 -20.8400   18.741  ?   ?    63.874   31.507 0.000000 31.50740 
1 1 1   -2   12   45 o   79.174   30.267   10.321   8.6553  -9.1666   12.688   27.282   11.837   58.606   28.224  118.164   35.677 -59.55812 45.49085 
1 1 1   -2   12   46 o   76.084   30.217   9.4523   8.8938   10.436   13.113   8.6145   12.103   80.003   34.570   76.634   33.162 3.368797 47.90411 
1 1 1   -2   12   47 o   63.301   27.901   3.5032   8.9128   22.498   12.877 -13.9622   12.348   99.259   37.147   52.695   25.912 46.56340 45.29200 
1 1 1   -2   12   48 o   61.698   27.227   3.7156   8.5127   1.0485   12.537   5.9972   11.596   64.183   30.062   68.882   30.991 -4.699707 43.17655 
1 1 1   -2   13    1 o  251.436   10.624   82.074   6.9191   78.660   9.7660   85.515   9.8043  245.349   15.446  255.937   14.853 -10.58833 21.42825 
1 1 1   -2   13    2 o  339.047   9.8307  149.196   8.6337  144.462   12.077  154.144   12.347  333.264   13.990  344.267   13.846 -11.00262 19.68336 
1 1 1   -2   13    3 o  441.639   13.179  253.621   15.076   0.0000   0.0000  253.621   15.076  ?   ?   441.639   13.179 0.000000 13.17863 
1 1 1   -2   13    4 o  393.183   9.7062  200.693   9.8854  207.237   14.025  194.234   13.935  399.093   13.567  386.323   13.926 12.77048 19.44193 
1 1 1   -2   13    5 o  166.850   14.188   36.513   6.0739   34.989   8.5908   38.036   8.5889  162.092   20.951  169.312   19.968 -7.219925 28.94251 
1 1 1   -2   13    6 o  154.467   14.979   31.399   5.9182   18.605   8.4699   43.604   8.2726  116.184   28.386  181.769   17.798 -65.58556 33.50457 
1 1 1   -2   13    7 o  103.462   21.438   14.575   5.5566   17.797   7.8345   11.314   7.8821  113.669   27.008   92.675   29.314 20.99420 39.85860 
1 1 1   -2   13    8 o  242.404   11.863   76.462   7.4488   73.461   10.776   79.207   10.308  236.271   17.737  245.682   16.290 -9.410568 24.08232 
1 1 1   -2   13    9 o   90.593   25.571   11.151   6.2628   23.414   9.8966   2.9598   8.0884  130.075   29.987   70.399   28.520 59.67581 41.38327 
1 1 1   -2   13   10 o  258.540   11.855   86.932   7.9390   86.331   11.551   87.470   10.930  256.442   17.494  258.340   16.418 -1.897888 23.99145 
1 1 1   -2   13   11 o  590.898   11.538  453.704   17.661   0.0000   0.0000  453.704   17.661  ?   ?   590.898   11.538 0.000000 11.53830 
1 1 1   -2   13   12 o  240.974   21.631   76.513   13.358   81.270   20.346   72.910   17.709  245.815   32.770  233.337   29.994 12.47861 44.42456 
1 1 1   -2   13   13 o  534.179   11.896  370.418   16.461  294.500   28.917  406.811   20.021  474.720   23.516  559.581   13.812 -84.86191 27.27228 
1 1 1   -2   13   14 o  261.707   14.254   89.210   9.6261   72.300   20.119   94.230   10.962  232.013   34.529  268.821   15.813 -36.80771 37.97779 
1 1 1   -2   13   15 o  201.950   14.506   53.224   7.5376   51.800   18.132   53.522   8.2877  195.283   37.203  202.357   15.940 -7.074478 40.47403 
1 1 1   -2   13   16 f  454.880   12.445  268.447   14.664  230.700   27.403  283.594   17.359  419.812   25.318  467.406   14.338 -47.59354 29.09550 
1 1 1   -2   13   17 o  265.760   12.767   91.637   8.7891   99.036   12.122   83.435   12.763  275.566   17.066  252.527   19.666 23.03859 26.03836 
1 1 1   -2   13   18 o  549.575   11.173  391.719   15.906  394.441   23.060  389.249   21.968  551.066   16.155  547.491   15.490 3.575012 22.38183 
1 1 1   -2   13   19 o  479.905   10.586  298.679   13.159  299.233   18.782  298.146   18.442  480.020   15.105  479.168   14.858 0.8516541 21.18809 
1 1 1   -2   13   20 o  338.283   11.499  148.465   10.076  156.483   14.987  141.849   13.613  346.971   16.675  330.403   15.906 16.56827 23.04430 
1 1 1   -2   13   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   13   22 o  500.385   10.769  324.882   13.958  298.142   20.278  348.960   19.242  478.779   16.351  518.231   14.334 -39.45126 21.74426 
1 1 1   -2   13   23 o  340.313   12.239  150.393   10.788  150.286   15.679  150.489   14.868  339.216   17.908  340.016   16.881 -0.7998657 24.60966 
1 1 1   -2   13   24 o  299.568   18.771  117.496   14.492  146.400   18.730   74.380   22.876  333.940   21.772  233.178   39.269 100.7626 44.90065 
1 1 1   -2   13   25 o  178.993   26.486   43.020   11.910  -7.6970   21.584   65.220   14.280   95.337   42.633  221.411   25.356 -126.0739 49.60384 
1 1 1   -2   13   26 o  186.339   16.248   45.620   7.7641   30.059   11.790   57.535   10.317  147.712   31.758  208.885   19.285 -61.17317 37.15524 
1 1 1   -2   13   27 o  105.684   26.223   15.347   7.1444   28.922   11.782   7.4523   8.9847  144.417   32.304   83.886   31.101 60.53195 44.84210 
1 1 1   -2   13   28 o   65.691   25.311   3.8685   6.0843  -1.7709   8.6308   9.4397   8.5785   62.910   27.600   88.036   30.662 -25.12657 41.25402 
1 1 1   -2   13   29 o   73.073   26.837   5.8434   6.6628   4.1681   10.514   6.9678   8.6132   80.015   32.480   81.187   30.381 -1.172005 44.47459 
1 1 1   -2   13   30 o  293.870   12.317  112.790   9.3761  121.937   13.605  104.515   12.940  303.837   17.358  281.058   17.867 22.77933 24.91039 
1 1 1   -2   13   31 o   93.917   26.232   12.297   6.6269   0.4744   9.9606   21.686   8.8765   70.735   30.342  123.931   28.276 -53.19588 41.47488 
1 1 1   -2   13   32 o  175.458   16.811   41.059   7.5469   41.704   10.465   40.359   10.893  174.407   23.786  170.890   25.380 3.517014 34.78358 
1 1 1   -2   13   33 f  223.369   21.537   67.679   12.307   0.0000   0.0000   67.679   12.307  ?   ?   223.369   21.537 0.000000 21.53711 
1 1 1   -2   13   34 o   88.200   32.117   9.8074   9.5134   6.2037   11.075   19.950   18.580   83.253   33.496  119.154   44.616 -35.90076 55.79032 
1 1 1   -2   13   35 o  124.046   35.790   23.478   12.137   43.850   22.993   15.610   14.290  159.612   50.009  106.147   39.248 53.46507 63.57143 
1 1 1   -2   13   36 o   70.374   26.975   5.4265   6.8862   8.3295   9.5344   2.2607   9.9565   83.259   31.782   71.748   30.544 11.51075 44.07966 
1 1 1   -2   13   37 o  136.650   20.399   26.111   6.9995   20.256   11.207   29.857   8.9627  113.561   34.804  143.842   24.960 -30.28110 42.82905 
1 1 1   -2   13   38 f   62.765   26.312   2.3325   7.2038   1.6449   10.170   3.0250   10.206   70.001   30.345   72.446   30.885 -2.445313 43.29782 
1 1 1   -2   13   39 o  112.768   24.744   18.864   7.0292   25.062   9.0700   9.5438   11.123  128.294   28.073   85.876   33.891 42.41825 44.00751 
1 1 1   -2   13   40 o   51.729   23.339  -1.9035   6.6296  -6.1734   9.8612   1.6182   8.9556   57.167   26.740   65.619   28.461 -8.452385 39.05169 
1 1 1   -2   13   41 o   74.332   28.317   7.3835   7.5593   0.8511   11.512   12.336   10.023   70.004   31.232   89.044   32.881 -19.04063 45.35000 
1 1 1   -2   13   42 o   70.468   28.752   5.6392   8.2911   0.9336   12.052   9.8672   11.424   70.181   31.584   83.332   33.847 -13.15139 46.29374 
1 1 1   -2   13   43 o   75.554   31.416   7.2852   10.149   10.642   11.981  -1.2460   19.099   83.516   34.375   77.594   36.582 5.922684 50.19787 
1 1 1   -2   13   44 o   79.691   36.346   6.2200   16.617   0.0000   0.0000   6.2200   16.617  ?   ?    79.691   36.346 0.000000 36.34563 
1 1 1   -2   13   45 o  125.521   27.393   26.389   8.6562   37.046   11.547   12.715   13.079  143.752   31.848   84.034   35.353 59.71772 47.58252 
1 1 1   -2   13   46 o   48.846   22.928  -3.7333   7.3584   5.5835   10.154 -14.0370   10.678   69.010   30.115   48.851   24.036 20.15907 38.53070 
1 1 1   -2   13   47 o   61.146   27.232   2.8499   8.7095  -6.0328   12.214   12.039   12.423   57.704   27.765   78.939   33.874 -21.23511 43.79891 
1 1 1   -2   13   48 o   68.292   28.705   7.7499   8.6112   7.9199   12.344   7.5887   12.018   70.627   31.858   70.015   31.521 0.6115036 44.81630 
1 1 1   -2   14    1 o  410.051   9.8179  218.439   10.428  226.172   14.990  211.188   14.516  416.605   13.891  402.563   13.921 14.04150 19.66610 
1 1 1   -2   14    2 f  412.235   9.6801  220.764   10.337  222.798   14.777  218.816   14.465  413.483   13.796  409.802   13.626 3.680969 19.39127 
1 1 1   -2   14    3 o  115.294   20.288   17.945   5.8378   9.8443   8.2776   25.962   8.2342   88.808   30.150  138.430   23.823 -49.62240 38.42567 
1 1 1   -2   14    4 o  383.869   10.026  191.501   9.9688  196.660   14.421  186.779   13.796  388.314   14.337  378.482   14.072 9.832092 20.08905 
1 1 1   -2   14    5 o  191.120   14.002   47.878   6.8835   55.909   10.091   40.887   9.4141  205.612   19.167  175.111   21.186 30.50137 28.56924 
1 1 1   -2   14    6 o  334.858   10.651  145.790   9.2389  138.321   13.277  152.801   12.864  325.421   15.751  342.248   14.511 -16.82703 21.41640 
1 1 1   -2   14    7 o  107.746   22.375   15.829   6.0405   16.063   8.9503   15.634   8.1859  108.218   30.577  106.636   28.910 1.582481 42.08003 
1 1 1   -2   14    8 o  453.854   10.248  267.620   12.048  262.583   17.247  272.421   16.837  448.791   14.836  457.244   14.216 -8.452576 20.54734 
1 1 1   -2   14    9 o  192.277   17.280   48.633   8.5147   68.190   13.398   35.383   11.028  226.758   23.134  161.633   27.314 65.12514 35.79427 
1 1 1   -2   14   10 o  883.826   16.489  1017.77   37.750  1065.00   55.757  977.800   51.294  901.155   23.886  863.900   22.922 37.25555 33.10556 
1 1 1   -2   14   11 o  425.897   15.401  235.943   16.991  223.600   23.171  250.300   24.989  413.170   21.726  437.113   22.142 -23.94324 31.02132 
1 1 1   -2   14   12 o  577.006   12.041  432.152   17.996  382.000   30.150  459.910   22.430  541.189   21.508  594.946   14.555 -53.75702 25.96958 
1 1 1   -2   14   13 o  343.015   10.763  152.617   9.5628  142.300   21.081  155.290   10.730  329.218   24.905  345.943   11.974 -16.72488 27.63413 
1 1 1   -2   14   14 o  623.804   10.524  504.649   17.006  500.100   35.045  506.050   19.449  619.637   21.834  624.544   12.022 -4.906250 24.92532 
1 1 1   -2   14   15 o  443.803   25.953  257.900   29.705  257.900   29.705   0.0000   0.0000  443.803   25.953  ?   ?  0.000000 25.95275 
1 1 1   -2   14   16 o  959.260   12.404  1193.82   30.820  1094.00   60.890  1228.21   35.736  915.698   25.671  972.718   14.183 -57.02002 29.32858 
1 1 1   -2   14   17 o  447.053   13.764  259.405   15.939  282.900   30.223  250.354   18.759  465.012   25.186  438.977   16.498 26.03546 30.10783 
1 1 1   -2   14   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   14   19 o  763.832   11.062  756.868   21.887  744.965   31.126  768.510   30.782  757.152   15.870  769.091   15.451 -11.93903 22.14978 
1 1 1   -2   14   20 o  500.112   10.443  324.447   13.528  316.539   19.144  332.335   19.119  493.567   14.974  505.773   14.594 -12.20627 20.90909 
1 1 1   -2   14   21 o  437.264   10.974  248.112   12.430  241.287   17.871  254.508   17.300  430.738   16.017  442.483   15.094 -11.74509 22.00843 
1 1 1   -2   14   22 o  130.786   22.581   22.977   7.3733   12.687   11.473   30.218   9.6240  102.586   35.475  149.820   25.726 -47.23487 43.82085 
1 1 1   -2   14   23 o  248.661   19.902   81.223   12.712   77.440   15.728   88.350   21.587  241.660   25.512  256.346   33.295 -14.68668 41.94548 
1 1 1   -2   14   24 o  118.043   33.999   18.955   10.961   38.760   24.583   14.040   12.246  167.306   51.593  106.747   36.665 60.55887 63.29414 
1 1 1   -2   14   25 o  301.193   16.686  118.701   12.967   0.0000   0.0000  118.701   12.967  ?   ?   301.193   16.686 0.000000 16.68604 
1 1 1   -2   14   26 o  301.995   12.784  118.709  10.0000  103.947   14.075  133.757   14.211  281.032   19.454  319.466   17.237 -38.43347 25.99177 
1 1 1   -2   14   27 o   61.142   27.984  -6.3932   9.9626   0.0000   0.0000  -6.3932   9.9626  ?   ?    61.142   27.984 0.000000 27.98356 
1 1 1   -2   14   28 o  290.465   12.527  110.029   9.4253  110.825   13.170  109.194   13.494  290.028   17.614  287.713   18.201 2.314728 25.32846 
1 1 1   -2   14   29 o   76.769   27.330   6.9850   6.8430   12.941  10.0000   1.7398   9.3842   99.068   33.141   71.558   30.016 27.50953 44.71323 
1 1 1   -2   14   30 f  123.232   23.714   20.987   7.2949   21.649   10.816   20.436   9.8803  122.917   33.193  119.737   31.450 3.180527 45.72610 
1 1 1   -2   14   31 o  149.381   27.294   31.273   10.172   0.0000   0.0000   31.273   10.172  ?   ?   149.381   27.294 0.000000 27.29383 
1 1 1   -2   14   32 o  108.262   23.901   16.456   6.5232   2.1602   8.9509   32.649   9.5265   70.067   29.349  153.267   24.846 -83.19963 38.45393 
1 1 1   -2   14   33 o   77.343   27.468   7.4911   6.9085   11.619   10.494   4.3334   9.1780   94.248   33.813   74.837   30.358 19.41090 45.44139 
1 1 1   -2   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   14   35 o  110.229   24.198   17.428   6.7198   10.071   9.7083   24.195   9.3106   87.939   32.380  128.205   28.746 -40.26573 43.29917 
1 1 1   -2   14   36 o  232.146   15.346   72.414   9.1762   85.077   13.423   61.304   12.573  247.841   21.110  208.377   23.716 39.46368 31.75010 
1 1 1   -2   14   37 o  106.728   26.820   17.040   7.4056   21.228   9.9007   11.721   11.158  116.626   31.867   91.655   34.524 24.97089 46.98325 
1 1 1   -2   14   38 o  166.168   18.991   38.466   8.0272   34.832   10.845   42.868   11.938  151.590   28.669  168.823   28.301 -17.23276 40.28476 
1 1 1   -2   14   39 o   85.288   28.047   10.936   7.1720   9.9795   11.355   11.572   9.2509   86.347   34.189   88.008   31.728 -1.661407 46.64348 
1 1 1   -2   14   40 o   86.212   28.657   11.442   7.4797   5.4958   11.625   15.642   9.7706   77.555   33.010   97.858   32.758 -20.30254 46.50571 
1 1 1   -2   14   41 o  110.804   27.847   19.546   7.9832   25.479   10.920   12.735   11.701  121.875   33.535   89.700   34.950 32.17483 48.43651 
1 1 1   -2   14   42 o  168.963   18.955   41.024   8.1531   32.929   10.642   52.526   12.685  141.231   30.015  181.913   27.804 -40.68144 40.91444 
1 1 1   -2   14   43 o   76.838   36.142   0.4452   18.448   0.0000   0.0000   0.4452   18.448  ?   ?    76.838   36.142 0.000000 36.14191 
1 1 1   -2   14   44 o   64.581   29.119   1.6216   10.302   0.5982   12.704   3.5870   17.605   67.596   31.179   76.764   35.848 -9.168297 47.51010 
1 1 1   -2   14   45 o   98.412   31.969   18.519   9.3286   27.083   13.754   11.224   12.695  108.894   38.749   80.322   34.349 28.57245 51.78114 
1 1 1   -2   14   46 o   41.929   20.793 -14.6297   8.5626  -3.9059   12.310 -24.6827   11.919   60.151   28.652   45.372   22.802 14.77857 36.61765 
1 1 1   -2   14   47 o  111.650   29.601   23.632   8.6999   24.053   12.322   23.213   12.285   99.600   36.509   97.869   36.351 1.731178 51.51947 
1 1 1   -2   15    1 o  297.980   10.705  115.455   8.2628  112.592   11.696  118.309   11.675  293.237   15.452  301.071   14.971 -7.834045 21.51504 
1 1 1   -2   15    2 o  196.854   13.482   50.733   6.8333   46.081   9.5488   55.617   9.7829  186.304   20.105  205.200   18.607 -18.89619 27.39461 
1 1 1   -2   15    3 o  219.158   12.372   62.722   6.9946   66.163   9.8948   59.285   9.8888  224.277   17.162  212.024   18.182 12.25288 25.00239 
1 1 1   -2   15    4 o  328.710   10.551  140.447   8.9835  145.691   12.878  135.475   12.538  334.197   14.876  322.245   15.021 11.95209 21.14068 
1 1 1   -2   15    5 o  311.517   10.945  126.144   8.8315  125.810   12.759  126.451   12.237  310.072   15.939  311.374   15.172 -1.302063 22.00560 
1 1 1   -2   15    6 o  511.438   11.642  340.048   15.423  345.600   26.973  337.351   18.799  513.640   20.273  508.928   14.260 4.712006 24.78645 
1 1 1   -2   15    7 o  211.122   18.511   58.648   10.021   63.590   13.779   53.100   14.599  218.607   24.771  198.412   29.287 20.19440 38.35757 
1 1 1   -2   15    8 o  470.203   14.284  287.625   17.397  291.100   25.077  284.400   24.157  471.921   20.514  466.566   19.988 5.354736 28.64170 
1 1 1   -2   15    9 o  460.758   15.400  276.180   18.380  264.400   25.972  288.000   26.016  449.736   22.294  469.550   21.390 -19.81479 30.89588 
1 1 1   -2   15   10 o  414.204   12.669  222.775   13.592  219.435   16.300  230.400   24.627  410.842   15.317  419.431   22.753 -8.588043 27.42773 
1 1 1   -2   15   11 o   73.112   30.593   1.2851   9.7119   0.0000   0.0000   1.2851   9.7119  ?   ?    73.112   30.593 0.000000 30.59343 
1 1 1   -2   15   12 o  443.591   10.198  255.187   11.718  298.600   26.436  244.572   13.072  478.780   21.316  434.182   11.623 44.59851 24.27934 
1 1 1   -2   15   13 o  479.131   10.443  297.712   12.960  255.300   26.275  311.348   14.899  441.990   23.030  489.897   11.741 -47.90652 25.84995 
1 1 1   -2   15   14 o  731.525   11.124  694.067   21.078  676.800   44.162  699.161   23.986  720.551   23.661  734.054   12.615 -13.50299 26.81363 
1 1 1   -2   15   15 o  1086.01   13.176  1530.58   37.065  1500.00   76.048  1540.10   42.448  1071.54   27.399  1089.05   15.047 -17.50903 31.25890 
1 1 1   -2   15   16 o  859.718   12.148  958.953   27.053  885.800   55.724  981.512   30.945  823.657   26.118  869.559   13.738 -45.90149 29.51117 
1 1 1   -2   15   17 o  978.284   12.542  1241.99   31.782  1199.00   64.746  1255.64   36.479  958.020   26.091  983.346   14.321 -25.32623 29.76309 
1 1 1   -2   15   18 o  570.212   11.342  421.855   16.753  427.900   36.881  420.284   18.805  572.353   24.876  569.015   12.758 3.337585 27.95721 
1 1 1   -2   15   19 o  601.235   25.333  472.700   39.453  472.700   39.453   0.0000   0.0000  601.235   25.333  ?   ?  0.000000 25.33307 
1 1 1   -2   15   20 o  249.582   13.943   81.186   8.9782   73.219   12.953   88.555   12.456  235.923   21.429  260.085   18.612 -24.16223 28.38330 
1 1 1   -2   15   21 f  273.183   13.055   96.958   9.2382   85.967   13.140  107.701   12.991  255.940   19.978  287.031   17.558 -31.09145 26.59676 
1 1 1   -2   15   22 o  139.019   23.075   25.956   8.0181   28.856   11.355   23.072   11.323  145.166   31.132  129.580   33.492 15.58553 45.72693 
1 1 1   -2   15   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   15   24 o  247.032   13.747   79.671   8.7615   74.822   12.397   84.511   12.385  238.237   20.281  253.554   18.994 -15.31772 27.78716 
1 1 1   -2   15   25 o  247.083   20.712   80.640   13.134   0.0000   0.0000   80.640   13.134  ?   ?   247.083   20.712 0.000000 20.71211 
1 1 1   -2   15   26 o   77.133   28.002   6.6335   7.2240   23.951   10.363  -9.7336   10.075  131.221   30.985   57.489   26.934 73.73272 41.05513 
1 1 1   -2   15   27 o   76.456   27.236   6.8272   6.7973   12.926   10.902   2.9481   8.6943  100.765   34.595   72.078   29.430 28.68663 45.41945 
1 1 1   -2   15   28 o  275.075   13.063   98.875   9.3080   98.582   13.735   99.123   12.658  272.506   19.588  273.791   17.948 -1.284485 26.56754 
1 1 1   -2   15   29 o   97.341   26.123   13.232   6.7241   7.1409   10.044   18.180   9.0517   84.374   32.518  113.286   30.269 -28.91206 44.42608 
1 1 1   -2   15   30 o  105.671   25.820   15.727   7.0074   12.469   11.160   17.848   9.0039   98.344   34.913  111.801   30.324 -13.45713 46.24305 
1 1 1   -2   15   31 o  100.377   25.861   14.263   6.7655   15.203   10.419   13.578   8.8959  104.001   33.787   98.469   31.141 5.531776 45.94937 
1 1 1   -2   15   32 o   81.825   27.930   8.8223   7.1042   8.3986   10.684   9.1581   9.5116   87.173   33.555   86.753   32.032 0.4197845 46.38924 
1 1 1   -2   15   33 o  109.375   33.658   17.652   10.468   17.630   12.680   17.700   18.553  109.892   37.315  114.385   44.164 -4.493561 57.81746 
1 1 1   -2   15   34 o  146.491   24.204   30.346   8.8635   30.567   11.229   29.980   14.437  143.362   31.130  137.633   38.816 5.729233 49.75697 
1 1 1   -2   15   35 o  135.506   23.818   26.216   8.0551   31.557   11.467   21.012   11.318  144.364   31.545  116.104   34.848 28.25999 47.00522 
1 1 1   -2   15   36 o   54.946   24.064  -0.3472   6.5361  -4.2305   8.4410   5.4676   10.329   55.723   25.597   77.517   31.913 -21.79441 40.90978 
1 1 1   -2   15   37 o  285.975   12.988  109.084   9.6211  116.353   13.812  102.233   13.409  290.622   18.444  271.701   19.176 18.92114 26.60608 
1 1 1   -2   15   38 o   74.036   26.720   7.4875   6.5636   10.124   11.540   6.2266   7.9801   86.970   34.457   73.029   28.743 13.94138 44.87142 
1 1 1   -2   15   39 o   59.676   25.673   1.4068   7.1685   9.3689   10.044  -6.8603   10.234   82.741   32.341   57.278   26.935 25.46273 42.08808 
1 1 1   -2   15   40 o   69.807   27.736   5.7964   7.4965   8.9805   10.029   1.7652   11.285   80.859   32.096   70.334   31.177 10.52545 44.74529 
1 1 1   -2   15   41 o   82.737   30.059   10.811   8.3260   15.086   12.133   7.0049   11.447   93.264   35.792   77.607   32.883 15.65697 48.60406 
1 1 1   -2   15   42 o   68.398   30.224   3.0299   10.524   13.800   12.716 -20.3800   18.747   88.717   35.823   64.029   31.570 24.68844 47.74865 
1 1 1   -2   15   43 o  119.196   44.851   36.720   18.822   0.0000   0.0000   36.720   18.822  ?   ?   119.196   44.851 0.000000 44.85070 
1 1 1   -2   15   44 o  103.250   30.047   19.342   8.5212   23.363   11.156   13.712   13.202  107.246   34.967   84.650   35.560 22.59602 49.87179 
1 1 1   -2   15   45 o  122.332   26.919   25.621   8.2985   31.379   11.811   20.008   11.662  123.678   35.189   95.906   35.457 27.77277 49.95478 
1 1 1   -2   15   46 o   66.718   28.694   6.1888   8.9499   8.8261   12.857   3.7092   12.466   73.642   32.920   67.086   30.924 6.555992 45.16623 
1 1 1   -2   15   47 o   55.723   25.870  -0.0648   8.9574  -4.2720   13.160   3.5668   12.227   58.758   28.407   64.751   30.116 -5.993660 41.39972 
1 1 1   -2   16    1 o  375.436   12.363  183.285   12.023  180.400   20.494  184.800   14.846  370.390   21.452  376.597   15.219 -6.206970 26.30267 
1 1 1   -2   16    2 o  155.587   24.280   32.545   9.4658   12.040   13.313   53.510   13.461  103.884   37.968  199.791   26.678 -95.90717 46.40377 
1 1 1   -2   16    3 o  348.404   15.253  158.112   13.765  181.500   20.164  137.700   18.838  371.759   21.026  323.273   22.639 48.48624 30.89683 
1 1 1   -2   16    4 o  696.944   15.002  632.403   27.083  643.100   38.762  622.200   37.856  700.936   21.349  689.504   21.196 11.43182 30.08357 
1 1 1   -2   16    5 o  105.652   29.321   15.168   8.3074   14.821   10.676   15.700   13.226  106.646   34.157  112.115   38.110 -5.468193 51.17667 
1 1 1   -2   16    6 o  611.291   12.177  485.376   19.281  495.100   34.158  480.829   23.357  615.518   21.424  607.995   14.831 7.522095 26.05677 
1 1 1   -2   16    7 o  582.645   15.012  441.407   22.656  416.700   31.245  468.800   32.900  564.969   21.351  599.283   21.194 -34.31372 30.08370 
1 1 1   -2   16    8 o  803.476   13.028  838.348   27.113  817.963   32.700  883.200   48.504  793.127   15.917  822.442   22.768 -29.31470 27.77958 
1 1 1   -2   16    9 o  107.199   25.912   15.623   7.1155   18.060   10.346   13.436   9.8015  115.734   32.936  102.195   32.727 13.53903 46.43158 
1 1 1   -2   16   10 o  519.135   10.902  349.590   14.660  361.288   21.139  338.751   20.348  527.332   15.476  510.629   15.384 16.70294 21.82123 
1 1 1   -2   16   11 o  131.595   23.858   23.275   7.8331   35.996   11.212   11.145   10.948  163.796   27.392   98.195   34.610 65.60151 44.13866 
1 1 1   -2   16   12 o  257.066   14.456   86.073   9.5872   81.124   13.322   91.389   13.807  248.758   20.868  264.208   20.331 -15.44946 29.13472 
1 1 1   -2   16   13 o  459.331   13.108  273.818   15.595  197.000   26.883  312.785   19.147  387.417   26.956  490.767   15.061 -103.3501 30.87837 
1 1 1   -2   16   14 o  603.069   11.993  471.855   18.735  501.500   41.433  464.237   21.004  619.773   25.809  598.036   13.559 21.73706 29.15369 
1 1 1   -2   16   15 o  350.407   13.845  159.409   12.567  143.500   31.926  162.326   13.671  327.740   38.331  353.529   14.928 -25.78934 41.13550 
1 1 1   -2   16   16 o  421.718   15.432  231.077   16.858  265.000   31.230  217.129   20.026  449.359   26.955  408.463   18.928 40.89597 32.93701 
1 1 1   -2   16   17 o  512.893   11.353  341.340   15.083  314.400   34.521  347.696   16.768  489.304   27.346  517.542   12.508 -28.23880 30.07094 
1 1 1   -2   16   18 o  204.511   17.695   54.839   9.2813   31.460   23.326   59.236   10.117  154.874   50.565  212.486   18.567 -57.61182 53.86605 
1 1 1   -2   16   19 o  210.140   18.201   57.944   9.8096   19.880   26.767   63.849   10.543  140.093   53.305  220.599   18.625 -80.50591 56.46523 
1 1 1   -2   16   20 o   83.791   28.494   8.5561   7.3937   19.610   23.686   7.3627   7.7826  134.928   50.403   81.138   29.118 53.78952 58.20927 
1 1 1   -2   16   21 o   64.970   28.318  -1.5460   8.9547  -5.5050   19.021  -0.4187   10.150   91.244   40.460   71.320   30.612 19.92401 50.73579 
1 1 1   -2   16   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   16   23 o   77.023   28.111   6.4391   7.2938  -2.8261   10.607   14.751   10.046   68.864   30.390  105.474   33.057 -36.60980 44.90391 
1 1 1   -2   16   24 o  361.615   16.969  170.867   15.894   0.0000   0.0000  170.867   15.894  ?   ?   361.615   16.969 0.000000 16.96858 
1 1 1   -2   16   25 o  276.903   12.202   99.841   8.7521   93.397   12.167  106.750   12.599  266.459   17.729  285.083   17.141 -18.62488 24.66051 
1 1 1   -2   16   26 o  313.762   11.824  128.274   9.6097  129.216   14.016  127.438   13.201  313.372   17.334  311.452   16.421 1.920349 23.87716 
1 1 1   -2   16   27 f  143.038   21.809   27.724   7.8248   26.556   11.620   28.692   10.584  136.759   33.148  143.260   29.505 -6.501450 44.37654 
1 1 1   -2   16   28 o  154.574   20.579   32.263   8.0349   31.874   11.789   32.601   10.980  149.940   31.361  152.608   28.834 -2.667755 42.60194 
1 1 1   -2   16   29 o  165.786   17.905   36.809   7.5670   50.630   10.536   22.084   10.875  193.501   21.377  123.560   33.248 69.94117 39.52720 
1 1 1   -2   16   30 o  427.940   17.025  242.792   18.872  242.792   18.872   0.0000   0.0000  427.940   17.025  ?   ?  0.000000 17.02474 
1 1 1   -2   16   31 o  328.916   16.321  143.523   13.905   0.0000   0.0000  143.523   13.905  ?   ?   328.916   16.321 0.000000 16.32072 
1 1 1   -2   16   32 o  224.497   17.548   67.712   10.123   70.297   12.382   62.500   17.583  226.862   21.320  205.841   34.175 21.02057 40.28004 
1 1 1   -2   16   33 o   63.980   29.798  -8.1060   12.036   0.0000   0.0000  -8.1060   12.036  ?   ?    63.980   29.798 0.000000 29.79800 
1 1 1   -2   16   34 o  134.607   21.577   25.440   7.2691   13.957   10.721   35.210   9.8894   97.967   34.269  156.810   25.201 -58.84354 42.53733 
1 1 1   -2   16   35 o   55.494   23.728   0.7775   6.0559   8.4125   8.5394  -6.9474   8.5895   80.760   30.245   52.762   24.767 27.99788 39.09208 
1 1 1   -2   16   36 o  211.932   14.689   60.624   8.0140   61.681   12.069   59.790   10.718  208.092   22.761  206.767   20.273 1.324432 30.48046 
1 1 1   -2   16   37 o   63.294   26.068   3.2436   6.8957   10.929   10.884  -1.9104   8.9129   87.967   33.865   59.941   27.051 28.02600 43.34246 
1 1 1   -2   16   38 o   45.263   21.302  -5.4212   6.4246  -5.9740   8.1692  -4.5250   10.402   51.457   24.154   60.530   28.023 -9.073044 36.99603 
1 1 1   -2   16   39 o   64.842   27.465   3.0361   7.9810  -4.6366   11.159   11.071   11.419   61.918   28.789   86.707   34.301 -24.78888 44.78134 
1 1 1   -2   16   40 o   95.379   30.532   15.175   8.5313   17.201   12.437   13.375   11.724   98.046   36.544   90.064   35.014 7.982765 50.61087 
1 1 1   -2   16   41 o   58.156   25.321   1.5119   7.1434   6.1180   10.446  -2.5338   9.7903   73.549   31.298   59.197   27.328 14.35114 41.54988 
1 1 1   -2   16   42 o   81.007   35.846   9.1460   14.854   0.0000   0.0000   9.1460   14.854  ?   ?    81.007   35.846 0.000000 35.84563 
1 1 1   -2   16   43 o   74.477   31.383   8.2514   10.334   3.6402   12.830   16.770   17.438   70.498   32.069   88.909   39.113 -18.41048 50.57895 
1 1 1   -2   16   44 o   80.076   30.942   11.777   9.1123   4.6634   13.585   17.597   12.286   71.216   32.625   90.312   35.626 -19.09599 48.30755 
1 1 1   -2   16   45 o   66.414   28.736   5.7723   9.0849   12.917   13.001  -1.0452   12.700   79.842   34.461   62.774   29.666 17.06796 45.47146 
1 1 1   -2   16   46 o   70.796   28.680   9.0249   8.1796   7.4899   11.084   10.861   12.121   69.241   30.785   74.473   32.689 -5.231865 44.90352 
1 1 1   -2   17    1 o  475.139   12.122  293.173   14.919  294.200   26.019  292.670   18.210  474.675   21.161  474.418   14.818 0.2568359 25.83383 
1 1 1   -2   17    2 o  654.703   21.667  559.800   36.744  559.800   36.744   0.0000   0.0000  654.703   21.667  ?   ?  0.000000 21.66655 
1 1 1   -2   17    3 o  261.691   18.903   89.697   12.727   85.940   18.166   93.320   17.837  254.398   28.032  265.599   26.271 -11.20129 38.41867 
1 1 1   -2   17    4 f  359.372   15.661  167.942   14.579  152.300   20.746  183.200   20.490  340.552   23.665  374.124   21.231 -33.57220 31.79340 
1 1 1   -2   17    5 o  265.115   15.415   91.671   10.540   88.565   12.833   98.110   18.476  260.063   19.186  272.506   26.511 -12.44321 32.72485 
1 1 1   -2   17    6 o  485.401   10.650  305.663   13.390  291.170   18.531  321.501   19.371  473.356   15.113  497.408   15.035 -24.05234 21.31777 
1 1 1   -2   17    7 o  199.719   15.330   52.131   7.8703   49.458   11.194   54.743   11.067  193.416   22.780  203.867   21.271 -10.45126 31.16729 
1 1 1   -2   17    8 f  299.222   13.084  116.223   10.141  117.797   14.511  114.720   14.179  300.308   18.748  296.368   18.564 3.939270 26.38354 
1 1 1   -2   17    9 o  193.608   16.577   49.072   8.2333   49.392   11.437   48.727   11.862  193.244   23.319  191.722   24.442 1.521530 33.78164 
1 1 1   -2   17   10 o  362.583   12.606  170.607   11.839  167.639   17.532  173.095   16.052  358.475   18.948  364.923   16.981 -6.448303 25.44424 
1 1 1   -2   17   11 f  852.320   12.081  942.561   26.672  940.694   38.323  944.315   37.143  850.653   17.392  852.391   16.823 -1.738098 24.19701 
1 1 1   -2   17   12 o  415.899   13.712  224.550   14.772  240.574   22.681  212.747   19.466  429.876   20.369  404.425   18.582 25.45071 27.57180 
1 1 1   -2   17   13 o  655.405   13.871  557.714   23.548  549.800   42.024  561.337   28.431  648.943   25.000  657.166   16.702 -8.223206 30.06572 
1 1 1   -2   17   14 o  563.717   11.121  412.258   16.239  435.000   35.671  406.312   18.238  577.323   23.854  559.506   12.584 17.81659 26.96950 
1 1 1   -2   17   15 o  228.785   14.773   68.286   8.7079   78.210   27.003   67.134   9.1994  238.562   45.356  226.724   15.762 11.83820 48.01650 
1 1 1   -2   17   16 o  377.595   12.200  185.088   11.932  108.700   28.314  201.585   13.158  283.734   39.604  394.011   12.892 -110.2772 41.64974 
1 1 1   -2   17   17 o  327.924   13.538  139.703   11.500  125.200   29.506  142.300   12.487  304.996   38.185  330.878   14.570 -25.88171 40.87005 
1 1 1   -2   17   18 o  164.767   23.026   36.169   9.5590   17.070   24.298   39.666   10.397  132.158   50.668  172.515   23.910 -40.35744 56.02585 
1 1 1   -2   17   19 o  749.606   11.836  729.808   22.981  689.000   48.951  741.345   26.028  724.433   26.086  755.229   13.305 -30.79565 29.28327 
1 1 1   -2   17   20 o  173.347   22.421   39.984   9.8315   0.0000   0.0000   39.984   9.8315  ?   ?   173.347   22.421 0.000000 22.42071 
1 1 1   -2   17   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   17   22 o   96.797   30.914   12.252   8.7499 -26.3600   23.238   18.630   9.4450   83.596   39.690  116.337   30.842 -32.74113 50.26434 
1 1 1   -2   17   23 o  286.715   17.031  107.822   12.592  116.800   28.899  105.718   13.990  290.971   39.352  283.420   19.169 7.551208 43.77201 
1 1 1   -2   17   24 o   68.809   25.975   4.6645   6.3242  -6.7237   10.987   10.307   7.7339   64.498   29.470   89.174   29.116 -24.67581 41.42690 
1 1 1   -2   17   25 o   48.866   22.650  -5.5962   6.8256  -1.1773   9.4120 -10.4982   9.9131   66.676   29.047   55.835   26.333 10.84166 39.20682 
1 1 1   -2   17   26 o   84.763   26.050   9.6843   6.2730   7.3934   7.8637   13.693   10.403   80.307   29.207  101.577   33.797 -21.27045 44.66816 
1 1 1   -2   17   27 f  192.264   16.162   48.982   7.9744   68.763   12.137   33.953   10.578  226.460   20.926  156.424   27.088 70.03680 34.22997 
1 1 1   -2   17   28 o  189.984   16.369   47.985   7.9769   64.924   12.734   37.046   10.233  218.757   22.808  163.887   24.889 54.87051 33.75892 
1 1 1   -2   17   29 o  153.728   18.576   31.891   7.2471   27.252   11.058   35.384   9.5949  137.040   31.770  160.072   23.870 -23.03246 39.73835 
1 1 1   -2   17   30 o  277.624   17.787  103.109   12.724   0.0000   0.0000  103.109   12.724  ?   ?   277.624   17.787 0.000000 17.78720 
1 1 1   -2   17   31 o   66.736   26.204   4.1383   6.6183  -4.8679   10.736   9.6588   8.4054   64.080   29.221   85.804   30.317 -21.72363 42.10698 
1 1 1   -2   17   32 o   72.952   34.502 -13.7800   17.234   0.0000   0.0000 -13.7800   17.234  ?   ?    72.952   34.502 0.000000 34.50170 
1 1 1   -2   17   33 o  168.729   17.271   38.693   7.4421   40.968   10.775   36.619   10.291  169.332   25.344  159.707   25.753 9.625656 36.13242 
1 1 1   -2   17   34 o  216.656   14.352   62.970   8.0086   69.436   11.680   57.232   11.002  223.748   20.376  202.370   21.309 21.37752 29.48294 
1 1 1   -2   17   35 o   83.227   27.493   10.112   6.8885   7.6727   9.6935   12.601   9.7908   80.169   31.638   92.000   32.697 -11.83006 45.49828 
1 1 1   -2   17   36 o  198.291   16.845   54.046   8.5703   50.409   12.402   57.371   11.857  183.721   26.853  199.194   23.427 -15.47321 35.63597 
1 1 1   -2   17   37 o   66.047   26.882   4.2122   7.2252   3.8082   9.9326   4.6662   10.529   71.579   30.491   74.343   31.521 -2.763229 43.85489 
1 1 1   -2   17   38 o  135.413   25.655   27.928   8.6692   19.102   12.226   36.855   12.295  104.319   36.589  149.388   32.682 -45.06857 49.05996 
1 1 1   -2   17   39 o   76.503   29.364   8.3370   8.1667   16.225   11.594   0.5681   11.506   96.386   35.401   68.413   30.817 27.97295 46.93507 
1 1 1   -2   17   40 o   57.071   25.029   0.9676   7.0928   2.0263   10.465   0.0682   9.6463   67.191   29.892   62.496   28.178 4.695007 41.07987 
1 1 1   -2   17   41 o   92.513   32.453   15.631   9.6179   14.612   13.007   16.860   14.286   88.746   36.088   92.415   37.728 -3.668808 52.20920 
1 1 1   -2   17   42 o   92.366   40.008   19.410   17.648   0.0000   0.0000   19.410   17.648  ?   ?    92.366   40.008 0.000000 40.00766 
1 1 1   -2   17   43 o  133.724   26.242   29.980   8.7651   39.768   11.377   15.684   13.749  148.560   30.583   86.110   36.237 62.45037 47.41771 
1 1 1   -2   17   44 o   89.526   30.239   15.531   8.3261   3.9182   12.369   25.151   11.259   67.745   31.070  107.487   35.131 -39.74258 46.89929 
1 1 1   -2   17   45 o   57.831   26.534   0.9893   9.0339  -6.5723   13.427   7.2426   12.211   58.130   28.243   69.981   31.614 -11.85079 42.39246 
1 1 1   -2   17   46 o   61.865   27.673   4.6689   9.1002  -0.9127   13.281   9.6089   12.494   60.668   29.129   70.802   31.983 -10.13317 43.26001 
1 1 1   -2   18    1 o  993.687   12.325  1281.61   31.725  1331.00   46.292  1237.87   43.563  1011.51   17.668  975.579   17.239 35.92767 24.68481 
1 1 1   -2   18    2 o  856.322   16.404  953.319   36.385  953.319   36.385   0.0000   0.0000  856.322   16.404  ?   ?  0.000000 16.40361 
1 1 1   -2   18    3 o  533.061   14.722  369.135   20.328   0.0000   0.0000  369.135   20.328  ?   ?   533.061   14.722 0.000000 14.72167 
1 1 1   -2   18    4 o  936.155   17.094  1139.59   41.452  1139.59   41.452   0.0000   0.0000  936.155   17.094  ?   ?  0.000000 17.09415 
1 1 1   -2   18    5 o  694.946   15.177  627.427   27.321   0.0000   0.0000  627.427   27.321  ?   ?   694.946   15.177 0.000000 15.17742 
1 1 1   -2   18    6 o  753.434   11.319  736.449   22.090  759.906   32.101  715.347   30.446  764.663   16.207  741.963   15.841 22.70050 22.66290 
1 1 1   -2   18    7 o  173.558   19.768   39.711   8.7287   41.817   12.833   37.897   11.908  176.475   29.086  167.943   28.384 8.532425 40.64061 
1 1 1   -2   18    8 o  405.316   12.410  213.191   13.029  231.031   19.958  199.941   17.199  421.445   18.282  392.184   16.931 29.26089 24.91746 
1 1 1   -2   18    9 o  367.290   12.821  175.087   12.198  176.003   17.896  174.293   16.669  367.320   18.873  366.116   17.577 1.203552 25.79021 
1 1 1   -2   18   10 f  495.347   13.066  318.495   16.765  326.484   24.583  311.548   22.924  500.909   18.946  489.419   18.083 11.49045 26.19038 
1 1 1   -2   18   11 o  260.056   19.752   88.546   13.206  102.326   19.756   77.413   17.757  278.313   27.775  241.463   28.968 36.84952 40.13221 
1 1 1   -2   18   12 o  130.483   33.169   23.244   11.235   2.6716   17.043   39.054   14.941   96.976   40.549  169.159   35.243 -72.18329 53.72394 
1 1 1   -2   18   13 o  777.742   11.960  785.068   24.094  773.207   34.710  796.097   33.471  770.942   17.381  782.439   16.515 -11.49713 23.97573 
1 1 1   -2   18   14 o  640.352   11.178  532.122   18.541  502.600   38.900  540.800   21.091  620.092   24.218  645.380   12.616 -25.28748 27.30737 
1 1 1   -2   18   15 o  745.088   13.201  721.120   25.478  803.100   50.390  692.966   29.530  783.395   24.832  729.971   15.618 53.42432 29.33510 
1 1 1   -2   18   16 o  116.672   29.592   18.595   8.9567   31.370   27.341   17.059   9.4798  157.731   54.751  112.167   31.390 45.56432 63.11089 
1 1 1   -2   18   17 o   54.451   25.207  -6.9759   8.4156 -31.7000   23.150  -3.2110   9.0337   80.432   38.576   62.549   27.802 17.88327 47.55077 
1 1 1   -2   18   18 o  500.155   12.319  325.046   15.960  198.000   34.699  359.135   17.974  384.411   35.240  525.600   13.202 -141.1894 37.63191 
1 1 1   -2   18   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   18   20 o  711.917   24.783  667.000   45.701  667.000   45.701   0.0000   0.0000  711.917   24.783  ?   ?  0.000000 24.78270 
1 1 1   -2   18   21 o  393.336   13.189  201.404   13.438  191.700   30.418  203.757   14.979  378.107   31.340  395.396   14.625 -17.28845 34.58450 
1 1 1   -2   18   22 o  343.646   13.623  153.899   12.126  123.700   31.005  159.353   13.176  298.350   41.220  349.529   14.553 -51.17926 43.71350 
1 1 1   -2   18   23 o  118.934   30.533   19.687   9.4547 -12.1800   27.347   24.013   10.076  102.667   46.748  131.371   30.237 -28.70422 55.67408 
1 1 1   -2   18   24 o  352.258   13.808  162.106   12.599   83.780   31.049  177.545   13.785  236.500   52.091  368.502   14.442 -132.0017 54.05622 
1 1 1   -2   18   25 o  104.354   28.251   15.209   7.8237   34.000   27.443   13.547   8.1625  153.799   54.732   99.099   29.560 54.70028 62.20490 
1 1 1   -2   18   26 o  162.588   18.993   35.466   7.8484   35.220   11.459   35.682   10.771  158.587   28.962  160.446   26.868 -1.859619 39.50536 
1 1 1   -2   18   27 o  214.149   14.928   60.653   8.2291   65.636   11.243   54.902   12.077  221.107   19.841  200.544   23.708 20.56387 30.91499 
1 1 1   -2   18   28 o   86.502   27.946   10.205   7.1351   19.180   10.121   1.3392   10.060  114.856   32.538   71.923   30.663 42.93255 44.70943 
1 1 1   -2   18   29 o  145.404   20.815   28.991   7.6163   25.796   11.936   31.186   9.8916  131.526   34.578  148.438   26.708 -16.91150 43.69173 
1 1 1   -2   18   30 f  216.098   15.121   62.209   8.4107   65.776   11.782   58.503   12.010  219.492   20.979  205.892   22.908 13.60027 31.06248 
1 1 1   -2   18   31 f  142.276   46.831   34.090   19.994   0.0000   0.0000   34.090   19.994  ?   ?   142.276   46.831 0.000000 46.83146 
1 1 1   -2   18   32 o   45.360   21.738  -9.1499   7.3180 -18.0861   9.9068   1.5820   10.857   47.353   23.270   72.806   31.457 -25.45246 39.12863 
1 1 1   -2   18   33 o   97.102   27.707   14.092   7.3118   32.949   10.595  -3.0552   10.103  148.685   28.548   63.035   28.590 85.65072 40.40300 
1 1 1   -2   18   34 o   71.547   27.603   6.0116   7.2428   7.1617   10.184   4.8342   10.303   79.908   32.131   75.592   31.561 4.315842 45.03852 
1 1 1   -2   18   35 o  111.115   27.395   18.946   7.8347   21.965   11.134   15.984   11.027  115.089   34.567   99.676   34.761 15.41346 49.02290 
1 1 1   -2   18   36 o   76.970   28.048   8.3644   7.2571   6.3395   10.047   10.574   10.494   76.451   31.474   85.837   33.194 -9.386414 45.74346 
1 1 1   -2   18   37 o   57.530   25.580  -0.3547   7.6531   7.1846   10.991  -7.4503   10.663   78.779   32.719   57.475   27.169 21.30418 42.52863 
1 1 1   -2   18   38 o   69.730   27.382   6.1768   7.2272   4.4233   9.5510   8.5259   11.055   70.345   29.930   80.259   33.025 -9.914238 44.56993 
1 1 1   -2   18   39 o   68.674   27.622   5.8653   7.5287   4.1412   12.117   6.9495   9.6086   73.330   32.415   74.195   30.685 -0.8642426 44.63565 
1 1 1   -2   18   40 o   64.183   27.006   4.1979   7.6350   7.4476   12.464   2.2461   9.6594   76.964   33.479   64.835   28.787 12.12862 44.15364 
1 1 1   -2   18   41 o   59.757   29.533 -18.2500   16.742   0.0000   0.0000 -18.2500   16.742  ?   ?    59.757   29.533 0.000000 29.53317 
1 1 1   -2   18   42 o   63.420   28.542   2.4856   9.8439   3.4042   12.347   0.8830   16.308   68.375   31.241   70.527   33.416 -2.152390 45.74513 
1 1 1   -2   18   43 o  139.006   28.139   34.101   9.7843   30.873   14.369   36.892   13.360  110.422   39.572  128.354   37.701 -17.93225 54.65575 
1 1 1   -2   18   44 o   78.851   30.486   12.404   8.8496   9.6181   12.890   14.888   12.172   73.537   32.911   81.413   34.169 -7.875977 47.44120 
1 1 1   -2   18   45 o  103.250   29.026   20.997   8.0867   28.208   10.865   12.044   12.108  111.043   34.310   74.498   32.686 36.54559 47.38747 
1 1 1   -2   19    1 o  698.576   11.291  633.125   20.431  647.781   29.558  619.715   28.273  705.982   16.163  690.572   15.806 15.41034 22.60689 
1 1 1   -2   19    2 o  633.370   11.089  520.416   18.193  536.606   26.219  505.381   25.266  642.609   15.751  623.647   15.640 18.96204 22.19741 
1 1 1   -2   19    3 o  282.462   19.910  104.390   14.474   0.0000   0.0000  104.390   14.474  ?   ?   282.462   19.910 0.000000 19.91049 
1 1 1   -2   19    4 o  411.769   12.027  220.022   12.828  198.088   17.807  243.691   18.497  390.274   17.614  432.983   16.492 -42.70914 24.12992 
1 1 1   -2   19    5 o  125.326   30.699   21.410   9.8869   25.000   15.131   18.735   13.061  136.290   40.146  119.766   37.718 16.52399 55.08516 
1 1 1   -2   19    6 o  281.567   15.362  103.308   11.162  103.683   17.221  103.036   14.657  280.874   23.897  280.560   20.306 0.3136292 31.35905 
1 1 1   -2   19    7 o  405.999   14.308  214.078   15.047  226.032   21.951  203.482   20.666  416.592   20.342  394.763   20.279 21.82947 28.72302 
1 1 1   -2   19    8 o  571.723   12.446  424.246   18.431  405.699   26.074  442.768   26.058  558.433   18.026  583.499   17.240 -25.06586 24.94306 
1 1 1   -2   19    9 o  420.672   12.535  229.707   13.659  234.362   19.628  225.337   19.020  424.428   17.854  416.198   17.642 8.230133 25.10007 
1 1 1   -2   19   10 o  831.892   12.092  898.238   26.055  893.406   36.895  903.046   36.801  828.740   17.187  833.228   17.051 -4.487488 24.20997 
1 1 1   -2   19   11 o  676.942   11.712  594.765   20.538  615.681   29.477  575.034   28.630  688.017   16.540  664.904   16.623 23.11292 23.45019 
1 1 1   -2   19   12 o  247.991   17.834   80.473   11.379  106.351   16.204   55.293   15.984  284.575   22.157  202.716   31.460 81.85892 38.47956 
1 1 1   -2   19   13 o  121.185   33.860   19.959   11.039   7.9339   16.313   30.119   14.994  103.089   40.929  147.891   38.695 -44.80227 56.32480 
1 1 1   -2   19   14 o  340.976   14.334  151.154   12.660  143.915   18.808  157.151   17.119  331.140   22.054  346.643   19.139 -15.50278 29.20051 
1 1 1   -2   19   15 o  150.152   25.275   30.348   9.4814 -17.1100   22.027   41.141   10.504   88.088   40.780  175.722   23.680 -87.63386 47.15688 
1 1 1   -2   19   16 o  236.333   16.581   73.117   10.086   98.610   29.458   69.731   10.735  267.323   44.078  230.525   18.124 36.79848 47.65849 
1 1 1   -2   19   17 o  422.664   12.684  232.242   13.887  223.800   31.944  234.209   15.420  410.271   30.272  424.272   14.031 -14.00089 33.36561 
1 1 1   -2   19   18 o  414.691   30.346  229.100   32.371   0.0000   0.0000  229.100   32.371  ?   ?   414.691   30.346 0.000000 30.34634 
1 1 1   -2   19   19 o  579.949   16.055  438.787   24.118  404.300   38.274  461.500   31.061  553.165   26.711  593.518   20.204 -40.35309 33.49142 
1 1 1   -2   19   20 o  242.224   17.723   77.141   11.043   93.190   27.548   74.069   12.054  258.067   42.704  236.877   19.827 21.19046 47.08206 
1 1 1   -2   19   21 o  318.475   14.497  132.354   11.959  103.800   31.129  137.298   12.954  270.000   46.168  324.209   15.425 -54.20862 48.67664 
1 1 1   -2   19   22 o  196.691   21.049   51.568   10.558   50.330   29.423   51.751   11.311  183.387   56.426  196.617   22.622 -13.23022 60.79182 
1 1 1   -2   19   23 o  233.796   16.666   72.091   10.027   66.440   30.837   72.759   10.603  207.429   56.059  234.647   17.572 -27.21820 58.74826 
1 1 1   -2   19   24 o  261.926   16.918   90.658   11.417   41.640   29.659   99.185   12.370  165.467   57.047  273.817   17.533 -108.3503 59.68093 
1 1 1   -2   19   25 o   69.954   29.356   1.8074   8.9820   17.030   27.142  -0.0648   9.5183  127.735   52.058   68.289   29.480 59.44566 59.82597 
1 1 1   -2   19   26 o   96.701   29.236   13.107   7.9451   5.8320   28.112   13.739   8.2828  115.114   50.174   98.837   29.844 16.27653 58.37883 
1 1 1   -2   19   27 o   49.315   22.847  -5.2349   6.9336  -1.9260   28.596  -5.4416   7.1469  107.367   48.453   49.963   23.165 57.40366 53.70583 
1 1 1   -2   19   28 o   72.047   26.290   6.1544   6.3794   6.3254   8.4720   5.9305   9.6949   77.452   29.861   79.455   31.550 -2.002884 43.44078 
1 1 1   -2   19   29 o  113.098   26.054   18.394   7.4755   11.428   10.541   25.445   10.604   93.103   33.821  130.965   31.616 -37.86179 46.29765 
1 1 1   -2   19   30 o  229.405   19.359   71.676   11.396   59.464   13.777   98.130   20.278  204.411   26.655  259.641   30.748 -55.22966 40.69302 
1 1 1   -2   19   31 o   94.632   34.933   12.382   11.311 -10.9600   23.856   19.150   12.847   87.518   41.144  111.084   37.560 -23.56644 55.71020 
1 1 1   -2   19   32 o  129.215   23.183   23.973   7.4745   29.261   10.591   18.725   10.550  138.647   30.333  109.244   33.818 29.40327 45.42851 
1 1 1   -2   19   33 f   96.192   28.153   14.089   7.4618   15.307   10.587   12.887   10.519   99.001   34.086   92.996   33.786 6.005447 47.99321 
1 1 1   -2   19   34 o  140.184   22.733   28.541   7.9721   25.733   11.328   31.297   11.222  124.818   34.078  140.194   31.651 -15.37625 46.50920 
1 1 1   -2   19   35 f   99.922   28.165   15.706   7.6035   8.8718   10.824   22.364   10.683   82.479   33.139  115.405   33.660 -32.92599 47.23592 
1 1 1   -2   19   36 o   85.190   29.112   11.316   7.7182   12.365   11.306   10.401   10.563   89.150   34.460   84.458   33.123 4.691795 47.79812 
1 1 1   -2   19   37 o   97.745   28.424   15.539   7.6281   15.089   11.096   15.943   10.504   93.830   34.606   96.080   33.897 -2.249588 48.44183 
1 1 1   -2   19   38 o  104.279   27.674   17.824   7.5989   10.483   12.606   22.015   9.5236   83.672   34.920  112.718   31.434 -29.04553 46.98422 
1 1 1   -2   19   39 o   65.748   26.797   5.2696   7.1925   2.9759   10.870   7.0561   9.5930   68.235   30.403   73.089   30.479 -4.854279 43.05003 
1 1 1   -2   19   40 o   76.014   31.181   9.1714   9.8167   11.733   11.802   3.4200   17.685   81.634   33.905   75.767   35.557 5.867065 49.13101 
1 1 1   -2   19   41 o   63.151   28.761   1.6786   10.359   5.1323   13.604  -3.0860   15.979   71.740   32.784   66.916   32.082 4.823387 45.86985 
1 1 1   -2   19   42 o   52.926   24.758  -2.4096   8.4570  -8.4124   11.503   4.6514   12.476   54.144   26.268   68.601   31.367 -14.45633 40.91333 
1 1 1   -2   19   43 o  117.432   28.451   25.447   8.5633   47.244   12.696   7.2562   11.599  154.629   32.719   69.742   31.215 84.88731 45.22129 
1 1 1   -2   19   44 o  102.672   31.606   22.437   9.2303   31.084   14.142   16.021   12.183  104.036   38.930   80.810   34.064 23.22630 51.72948 
1 1 1   -2   19   45 o   61.429   27.351   5.4104   8.7809   11.946   13.456   0.5624   11.589   71.555   32.663   58.565   27.870 12.99024 42.93693 
1 1 1   -2   20    1 o  420.292   13.280  229.356   14.457  272.612   22.306  198.023   18.985  457.639   18.817  390.042   18.791 67.59708 26.59266 
1 1 1   -2   20    2 o  400.107   13.816  207.900   14.319  195.023   20.297  220.658   20.203  386.379   20.352  411.710   18.945 -25.33151 27.80471 
1 1 1   -2   20    3 o  642.003   12.011  534.925   19.974  563.112   29.457  510.934   27.177  657.973   17.284  626.831   16.738 31.14142 24.05978 
1 1 1   -2   20    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   20    5 o  443.001   13.031  254.810   14.954  226.594   21.469  281.396   20.840  417.065   19.873  465.096   17.299 -48.03152 26.34723 
1 1 1   -2   20    6 o  928.249   12.499  1118.59   30.053  1134.10   43.750  1104.74   41.353  933.459   18.094  921.486   17.325 11.97223 25.05063 
1 1 1   -2   20    7 o  271.850   15.774   96.404   11.060  105.722   16.814   89.298   14.684  283.620   23.087  260.702   21.948 22.91794 31.85484 
1 1 1   -2   20    8 f  779.041   11.768  787.783   23.747  793.997   34.072  781.913   33.116  781.200   16.838  775.305   16.490 5.895447 23.56753 
1 1 1   -2   20    9 o  600.576   11.726  468.224   18.242  485.631   26.593  452.754   25.070  610.899   16.806  589.923   16.406 20.97632 23.48582 
1 1 1   -2   20   10 o  612.745   11.879  487.473   18.855  503.627   27.434  473.013   25.957  622.008   17.027  602.878   16.621 19.12915 23.79506 
1 1 1   -2   20   11 o  202.607   21.689   54.220   11.206   29.785   16.817   73.734   15.028  147.343   42.012  235.982   24.965 -88.63918 48.86963 
1 1 1   -2   20   12 o  359.133   14.371  167.715   13.369  177.319   20.845  161.003   17.425  367.648   21.989  350.800   19.250 16.84811 29.22499 
1 1 1   -2   20   13 o  329.764   15.639  141.551   13.359  134.557   19.119  148.223   18.673  319.729   23.245  336.014   21.568 -16.28500 31.70935 
1 1 1   -2   20   14 o  329.472   15.716  141.358   13.413  127.929   19.092  154.446   18.848  311.457   23.846  342.965   21.321 -31.50769 31.98803 
1 1 1   -2   20   15 o  271.279   20.780   96.837   14.491   73.460   30.162  103.852   16.522  226.762   52.402  280.519   22.939 -53.75754 57.20293 
1 1 1   -2   20   16 f  558.445   15.613  406.447   22.584   0.0000   0.0000  406.447   22.584  ?   ?   558.445   15.613 0.000000 15.61272 
1 1 1   -2   20   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   20   18 o  481.508   13.836  302.061   17.257  287.000   34.790  306.976   19.875  463.853   29.103  484.970   15.821 -21.11740 33.12497 
1 1 1   -2   20   19 o  377.248   13.351  185.455   13.046  153.400   31.236  192.228   14.358  334.781   36.618  383.875   14.440 -49.09445 39.36193 
1 1 1   -2   20   20 o  128.726   28.700   22.969   9.3258   7.0260   28.950   24.815   9.8509  123.684   52.344  133.765   29.246 -10.08111 59.96001 
1 1 1   -2   20   21 o  255.455   16.234   85.845   10.686   36.050   30.174   92.987   11.427  160.508   57.362  265.796   16.682 -105.2874 59.73891 
1 1 1   -2   20   22 o  179.655   21.602   43.381   9.8511  -2.1050   26.770   50.505   10.594  108.743   48.120  194.074   21.432 -85.33098 52.67700 
1 1 1   -2   20   23 o  200.404   18.838   53.575   9.6640   26.330   22.021   60.074   10.755  137.208   49.007  211.990   19.816 -74.78247 52.86161 
1 1 1   -2   20   24 o  344.389   12.872  155.410   11.483  115.200   25.971  165.180   12.802  283.783   36.152  354.697   13.934 -70.91422 38.74438 
1 1 1   -2   20   25 o  234.773   17.336   73.486   10.468   37.620   22.636   83.244   11.807  153.848   49.785  249.510   18.398 -95.66112 53.07523 
1 1 1   -2   20   26 o   64.025   27.910  -0.5004   8.7017 -68.4600   25.569   8.4018   9.2541   65.744   33.087   84.439   31.512 -18.69502 45.69202 
1 1 1   -2   20   27 o  104.615   28.669   15.861   7.9994   32.450   25.718   14.084   8.4168  141.404   52.580   98.950   30.131 42.45323 60.60166 
1 1 1   -2   20   28 o   66.356   26.615   3.6502   6.9688   36.410   26.405   1.1976   7.2249  145.147   53.408   61.564   26.107 83.58270 59.44743 
1 1 1   -2   20   29 o  135.367   42.046   29.954   16.293   4.9860   26.419   45.280   20.699  105.546   47.185  162.509   46.696 -56.96300 66.38499 
1 1 1   -2   20   30 o   82.023   33.434   6.5130   11.197   0.0000   0.0000   6.5130   11.197  ?   ?    82.023   33.434 0.000000 33.43356 
1 1 1   -2   20   31 o   60.590   25.712   1.5578   7.0161   6.7760   10.252  -3.0392   9.6224   79.860   32.193   61.384   27.865 18.47578 42.57778 
1 1 1   -2   20   32 o  212.843   14.763   61.248   8.0887   66.449   11.328   55.839   11.554  217.762   20.317  197.410   23.027 20.35144 30.70888 
1 1 1   -2   20   33 o   54.600   24.247  -0.7728   6.8564   3.8294   10.191  -4.5785   9.2674   72.514   30.887   57.186   26.466 15.32874 40.67485 
1 1 1   -2   20   34 o  141.943   20.788   29.025   7.4168   36.337   11.628   24.009   9.6302  150.711   30.825  121.910   30.556 28.80017 43.40320 
1 1 1   -2   20   35 o   62.934   26.201   3.3357   7.0726   3.1855   11.073   3.4393   9.1919   71.862   31.401   68.302   29.219 3.560036 42.89236 
1 1 1   -2   20   36 o  120.615   25.374   22.583   7.6763   15.496   11.452   28.366   10.344   94.437   35.093  130.276   31.086 -35.83949 46.88125 
1 1 1   -2   20   37 o  123.814   24.281   23.755   7.5091   31.419   12.580   19.512   9.3595  129.730   36.109  105.521   31.694 24.20906 48.04545 
1 1 1   -2   20   38 o   55.324   24.111   1.3313   6.4899   9.9698   9.5412  -6.1070   8.8536   78.956   31.316   51.656   24.517 27.29989 39.77184 
1 1 1   -2   20   39 o   54.786   25.935  -4.9475   9.7810   6.4963   12.004 -27.5500   16.871   73.313   32.343   55.408   27.743 17.90489 42.61187 
1 1 1   -2   20   40 o   91.650   39.158   20.790   16.472   0.0000   0.0000   20.790   16.472  ?   ?    91.650   39.158 0.000000 39.15830 
1 1 1   -2   20   41 f   35.989   18.150 -20.3558   7.9181 -21.6186   10.475 -18.6723   12.094   42.891   21.530   48.486   24.155 -5.595024 32.35730 
1 1 1   -2   20   42 o   58.093   26.584   1.2683   8.9862  -2.8453   13.145   4.8777   12.313   60.570   29.055   67.140   30.869 -6.570015 42.39169 
1 1 1   -2   20   43 o   56.658   25.712   1.9684   8.1855   4.4150   12.639   0.2006   10.743   65.330   30.463   58.639   27.581 6.691933 41.09397 
1 1 1   -2   20   44 o   49.638   23.058  -0.5801   7.1327   9.6191   9.7216 -12.4722   10.497   68.877   29.764   46.431   23.025 22.44654 37.63026 
1 1 1   -2   21    1 o  137.878   26.377   25.715   9.0773   31.514   15.051   22.400   11.380  151.277   38.356  128.018   33.814 23.25932 51.13290 
1 1 1   -2   21    2 o  489.621   11.490  311.169   14.572  311.887   20.779  310.475   20.441  489.630   16.384  488.550   16.153 1.079285 23.00730 
1 1 1   -2   21    3 o  694.470   11.599  626.055   20.865  619.972   29.743  631.948   29.277  690.262   16.635  696.978   16.217 -6.715576 23.23133 
1 1 1   -2   21    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   21    5 o  312.619   14.255  127.027   11.544  136.787   17.773  119.906   15.182  323.004   21.363  302.652   19.469 20.35220 28.90358 
1 1 1   -2   21    6 o  641.641   11.464  534.480   19.054  556.109   28.221  516.361   25.830  653.638   16.668  629.999   15.828 23.63873 22.98612 
1 1 1   -2   21    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   21    8 f  478.589   12.401  297.529   15.373  294.897   23.054  299.635   20.630  475.574   18.714  479.721   16.602 -4.147247 25.01673 
1 1 1   -2   21    9 o  355.361   14.274  164.221   13.139  166.785   20.018  162.281   17.415  356.516   21.781  352.171   19.163 4.345398 29.01071 
1 1 1   -2   21   10 o  406.380   13.445  214.698   14.153  221.542   21.485  209.452   18.811  411.840   20.140  400.766   18.121 11.07318 27.09173 
1 1 1   -2   21   11 o  246.289   19.239   79.674   12.176   93.445   18.136   68.371   16.431  265.233   26.763  226.001   28.715 39.23206 39.25287 
1 1 1   -2   21   12 o  166.465   27.109   37.397   11.287   48.515   16.079   26.596   15.848  188.275   34.230  139.244   41.106 49.03136 53.49246 
1 1 1   -2   21   13 o  235.033   20.702   72.850   12.475   75.071   18.529   71.008   16.872  236.057   31.057  230.064   28.952 5.991974 42.45909 
1 1 1   -2   21   14 o  319.009   18.729  133.486   15.408  115.000   26.370  143.070   18.986  291.098   35.721  329.429   22.383 -38.33105 42.15461 
1 1 1   -2   21   15 o  238.693   42.366   79.560   25.235   0.0000   0.0000   79.560   25.235  ?   ?   238.693   42.366 0.000000 42.36571 
1 1 1   -2   21   16 o   44.236   21.437 -12.5135   7.6051   21.670   27.401 -15.3665   7.9161  140.653   53.834   42.963   21.049 97.69051 57.80228 
1 1 1   -2   21   17 o   66.277   28.314   0.0936   8.6098   19.740   23.371  -2.9915   9.2612  132.156   49.922   63.407   28.168 68.74897 57.32095 
1 1 1   -2   21   18 o  398.858   13.348  207.453   13.790  120.500   32.651  226.330   15.214  291.480   44.670  416.445   14.103 -124.9649 46.84319 
1 1 1   -2   21   19 o  226.867   18.170   68.024   10.588   39.160   29.890   72.166   11.322  165.325   57.254  233.530   18.878 -68.20522 60.28622 
1 1 1   -2   21   20 o  116.332   28.953   18.941   8.6900   21.940   26.598   18.583   9.1946  136.610   52.842  115.112   30.389 21.49769 60.95704 
1 1 1   -2   21   21 o  187.705   20.276   47.205   9.7018   40.600   24.495   48.434   10.566  163.425   51.675  189.642   21.912 -26.21635 56.12873 
1 1 1   -2   21   22 o  234.638   16.642   72.956   10.049  -0.0991   28.301   83.495   10.749  111.341   49.363  251.095   16.621 -139.7545 52.08607 
1 1 1   -2   21   23 o   88.623   31.614   9.8609   9.1609   33.080   28.606   7.2073   9.6702  148.111   55.378   83.074   31.937 65.03793 63.92732 
1 1 1   -2   21   24 o  103.749   30.259   15.429   8.6337  -4.5570   29.513   17.299   9.0287  106.741   48.587  109.444   30.636 -2.703728 57.43969 
1 1 1   -2   21   25 f  218.192   18.408   64.077   10.307 -13.4400   29.509   74.848   10.999   98.994   46.289  236.056   18.127 -137.0620 49.71164 
1 1 1   -2   21   26 o   79.274   30.333   6.9945   8.6983 -16.0000   25.624   9.9893   9.2474   89.661   42.301   87.807   31.712 1.853683 52.86838 
1 1 1   -2   21   27 o  218.163   18.359   64.471   10.278   42.640   24.956   68.930   11.279  154.527   52.350  224.980   19.549 -70.45296 55.88138 
1 1 1   -2   21   28 o  107.807   36.065   17.642   11.843   2.9460   19.066   26.873   15.111   92.221   40.719  128.704   40.575 -36.48356 57.48346 
1 1 1   -2   21   29 o  220.221   23.216   68.330   13.044   0.0000   0.0000   68.330   13.044  ?   ?   220.221   23.216 0.000000 23.21604 
1 1 1   -2   21   30 o   98.288   27.802   14.584   7.3953 -26.4200   23.788   18.971   7.7808   75.884   37.029  112.417   27.049 -36.53315 45.85612 
1 1 1   -2   21   31 o   92.308   31.649   13.049   9.1224   3.2420   22.358   15.008   9.9920   92.521   42.182   97.670   33.125 -5.148933 53.63411 
1 1 1   -2   21   32 o  138.799   26.365   29.160   9.1325   23.320   17.569   31.322   10.690  112.373   43.084  140.882   30.201 -28.50954 52.61472 
1 1 1   -2   21   33 o   63.226   26.062   3.5475   6.8999   11.988   10.611  -2.6369   9.0826   88.292   33.569   58.587   26.779 29.70462 42.94155 
1 1 1   -2   21   34 o   45.801   21.653  -5.7949   6.7753   4.8410   10.869 -12.5540   8.6647   73.847   31.687   45.841   22.365 28.00570 38.78444 
1 1 1   -2   21   35 o   51.065   23.470  -2.7758   7.1100   19.351   10.968 -18.8128   9.3377  103.606   34.708   43.153   21.453 60.45337 40.80267 
1 1 1   -2   21   36 o   66.933   26.848   5.5702   7.0917   11.758   11.479   1.7508   9.0187   84.799   34.108   63.373   27.992 21.42648 44.12349 
1 1 1   -2   21   37 o   71.862   27.486   7.7859   7.1400   7.5133   11.036   7.9822   9.3637   75.268   32.103   74.409   30.480 0.8588791 44.26752 
1 1 1   -2   21   38 o   61.145   26.759   2.7542   8.0684   10.905   12.476  -3.1045   10.578   80.038   34.135   58.592   27.498 21.44548 43.83322 
1 1 1   -2   21   39 f   80.285   37.458   11.050   19.154   0.0000   0.0000   11.050   19.154  ?   ?    80.285   37.458 0.000000 37.45824 
1 1 1   -2   21   40 o   60.517   27.801   1.2561   9.9601   1.9061   12.646   0.1940   16.165   65.222   30.432   67.606   32.374 -2.383698 44.43225 
1 1 1   -2   21   41 o   60.566   27.233   3.1683   8.9378  -9.5300   12.537   16.293   12.746   54.239   26.555   82.569   34.826 -28.33053 43.79508 
1 1 1   -2   21   42 o   60.095   26.627   4.1581   8.2230   1.8083   11.064   7.0581   12.291   60.662   28.358   67.799   31.049 -7.136879 42.05077 
1 1 1   -2   21   43 o   61.509   27.087   5.6713   8.3821   14.054   13.509   0.4242   10.688   74.016   33.362   57.265   27.109 16.75069 42.98766 
1 1 1   -2   21   44 o   53.883   25.030   1.6341   8.4050   8.9338   13.620  -2.8552   10.681   65.601   30.917   52.634   25.482 12.96647 40.06469 
1 1 1   -2   22    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   22    2 o  377.904   13.282  185.620   13.001  188.276   18.618  183.092   18.163  379.906   18.919  374.669   18.715 5.236938 26.61216 
1 1 1   -2   22    3 o  390.978   13.437  198.710   13.609  186.763   19.575  209.886   18.932  377.668   20.082  401.206   18.217 -23.53793 27.11347 
1 1 1   -2   22    4 o  220.798   19.997   64.173   11.313   81.512   17.360   51.374   14.915  247.473   27.549  195.092   30.515 52.38202 41.11065 
1 1 1   -2   22    5 o  401.348   13.312  209.408   13.839  183.151   20.578  231.088   18.699  373.654   21.350  421.094   17.143 -47.44019 27.38046 
1 1 1   -2   22    6 o  278.860   15.851  101.587   11.402  119.209   18.146   90.089   14.657  300.704   23.483  261.504   21.838 39.20044 32.06836 
1 1 1   -2   22    7 o  130.820   29.080   23.444   9.5987   28.061   15.950   20.822   12.019  142.720   40.986  123.580   35.604 19.13979 54.29085 
1 1 1   -2   22    8 o  272.283   16.166   96.939   11.350  122.132   17.935   80.106   14.660  304.393   22.914  246.093   23.274 58.29929 32.66079 
1 1 1   -2   22    9 o  269.574   16.505   95.091   11.469  108.012   16.655   83.437   15.817  286.141   22.656  250.812   24.665 35.32930 33.49165 
1 1 1   -2   22   10 o  116.203   32.859   18.460   10.332   25.500   14.750   11.678   14.477  136.059   39.513  105.331   39.393 30.72813 55.79504 
1 1 1   -2   22   11 o  261.418   17.654   89.649   11.885   88.219   17.052   90.999   16.572  257.438   25.925  261.812   24.730 -4.374664 35.82809 
1 1 1   -2   22   12 o  612.263   17.121  489.582   27.153  513.900   39.746  468.300   37.183  624.538   24.569  596.390   24.069 28.14838 34.39435 
1 1 1   -2   22   13 o  465.592   26.009  287.400   31.242   0.0000   0.0000  287.400   31.242  ?   ?   465.592   26.009 0.000000 26.00919 
1 1 1   -2   22   14 o   87.014   37.971  -1.8966   16.143   24.590   21.941 -33.1600   23.837  138.629   48.981   80.383   38.705 58.24532 62.42804 
1 1 1   -2   22   15 f   82.292   33.412   4.2155   11.128   3.8693   15.876   4.5498   15.602   94.155   39.232   94.525   39.098 -0.3705750 55.38783 
1 1 1   -2   22   16 o  370.992   17.244  180.338   16.571  141.900   28.413  200.155   20.401  321.932   34.616  389.480   20.292 -67.54755 40.12479 
1 1 1   -2   22   17 o  293.070   15.162  112.647   11.471   72.410   31.209  118.931   12.334  218.439   55.148  300.976   15.877 -82.53679 57.38822 
1 1 1   -2   22   18 o  205.546   18.770   56.099   9.8835   36.300   28.963   58.708   10.515  159.201   56.274  210.096   19.545 -50.89484 59.57137 
1 1 1   -2   22   19 o  203.424   19.525   55.202   10.162   70.980   25.182   52.133   11.106  218.450   45.959  196.810   22.172 21.63983 51.02779 
1 1 1   -2   22   20 o  139.204   27.091   27.060   9.4171   1.1320   28.835   30.155   9.9634  113.667   50.138  147.124   27.144 -33.45676 57.01392 
1 1 1   -2   22   21 o  128.883   29.836   23.726   9.7638   52.110   30.273   20.431   10.315  177.235   57.591  119.031   32.528 58.20370 66.14271 
1 1 1   -2   22   22 o   96.461   29.988   13.055   8.2862 -13.3600   28.181   15.555   8.6695   98.304   45.721  104.283   30.295 -5.978676 54.84730 
1 1 1   -2   22   23 f   66.019   28.688  -0.1724   9.1329   34.530   28.118  -4.2654   9.6565  146.214   54.858   61.461   27.905 84.75356 61.54735 
1 1 1   -2   22   24 o  239.484   17.688   77.052   10.895   42.560   29.511   82.495   11.723  155.306   56.565  247.470   18.420 -92.16321 59.48828 
1 1 1   -2   22   25 o   39.692   19.445 -12.4366   6.7550 -37.7800   25.469 -10.5190   7.0059   76.458   37.519   42.733   20.676 33.72478 42.83925 
1 1 1   -2   22   26 o   63.841   28.087  -0.6863   8.9938  -4.7410   25.178  -0.0933   9.6290   95.522   44.001   66.869   29.249 28.65246 52.83516 
1 1 1   -2   22   27 o  171.578   33.895   45.106   14.530   58.800   29.590   40.754   16.679  170.710   57.008  157.476   40.622 13.23392 70.00010 
1 1 1   -2   22   28 o   60.413   28.255  -7.4850   11.006   0.0000   0.0000  -7.4850   11.006  ?   ?    60.413   28.255 0.000000 28.25513 
1 1 1   -2   22   29 o   99.305   29.447   15.150   8.1178   12.870   23.401   15.462   8.6553  104.316   45.614   99.953   30.579 4.362953 54.91521 
1 1 1   -2   22   30 o   79.774   27.621   9.2165   6.9564 -13.7200   18.523   12.983   7.5058   72.140   34.575   91.872   28.538 -19.73189 44.83112 
1 1 1   -2   22   31 o  111.145   26.667   19.069   7.5791   15.910   22.703   19.465   8.0404  102.288   44.822  111.506   27.904 -9.217651 52.79850 
1 1 1   -2   22   32 o  191.883   18.314   51.871   8.9920   55.690   25.373   51.323   9.6161  150.577   52.717  189.527   19.884 -38.95009 56.34204 
1 1 1   -2   22   33 o  118.034   29.723   22.898   9.0822   18.670   19.277   24.104   10.297  100.285   42.592  118.570   32.540 -18.28561 53.59952 
1 1 1   -2   22   34 o   58.523   25.857   0.6783   7.7001  -2.7060   20.608   1.2275   8.3014   78.759   37.388   61.144   26.939 17.61514 46.08241 
1 1 1   -2   22   35 o   49.014   22.333  -1.7693   6.2545   15.618   9.6204 -14.4987   8.2316   93.439   32.475   42.042   20.765 51.39627 38.54615 
1 1 1   -2   22   36 o   65.285   26.807   5.1883   7.2648   13.148   11.477  -0.1328   9.3840   85.343   34.183   60.292   27.426 25.05088 43.82542 
1 1 1   -2   22   37 o   58.631   25.747   2.1454   7.5261   11.886   11.648  -4.8354   9.8609   81.023   33.670   54.810   25.974 26.21319 42.52378 
1 1 1   -2   22   38 o   56.344   28.250 -25.5500   17.774   0.0000   0.0000 -25.5500   17.774  ?   ?    56.344   28.250 0.000000 28.25043 
1 1 1   -2   22   39 o   78.751   32.219   12.603   10.446   20.379   13.574   1.3070   16.360   89.992   36.761   68.171   32.625 21.82069 49.15082 
1 1 1   -2   22   40 o   78.625   29.640   12.460   8.2275   16.090   10.778   7.3908   12.736   83.640   33.250   69.579   31.767 14.06151 45.98544 
1 1 1   -2   22   41 o   66.433   28.793   7.5234   9.1521   8.7581   13.367   6.4337   12.557   69.762   32.107   66.831   30.886 2.931870 44.55148 
1 1 1   -2   22   42 o   63.482   27.895   6.7794   8.8474   21.539   12.678  -7.2338   12.353   85.497   35.294   53.166   26.097 32.33071 43.89473 
1 1 1   -2   22   43 o   48.185   22.953  -2.1681   7.9004   1.2601   11.287  -5.4614   11.062   56.931   27.206   51.042   24.981 5.889023 36.93489 
1 1 1   -2   23    1 o  423.852   15.483  234.041   16.999  246.300   31.820  229.145   20.109  430.872   28.674  418.866   18.534 12.00629 34.14222 
1 1 1   -2   23    2 o  361.467   14.396  170.088   13.479  141.743   19.509  195.982   18.646  327.881   23.118  387.352   18.584 -59.47083 29.66124 
1 1 1   -2   23    3 o  224.575   29.067   67.728   16.512   67.728   16.512   0.0000   0.0000  224.575   29.067  ?   ?  0.000000 29.06714 
1 1 1   -2   23    4 o  177.370   24.016   42.059   10.750   17.495   16.338   60.813   14.276  119.924   42.279  213.273   26.406 -93.34943 49.84765 
1 1 1   -2   23    5 o  285.572   16.639  106.735   12.255  131.206   18.961   89.180   16.059  315.221   23.388  259.368   24.183 55.85355 33.64244 
1 1 1   -2   23    6 o  172.220   26.074   39.940   11.268   29.158   17.175   48.087   14.929  145.051   42.785  187.772   31.832 -42.72098 53.32773 
1 1 1   -2   23    7 o  627.935   12.144  512.762   19.753  505.983   29.021  518.613   26.962  622.260   18.005  630.424   16.511 -8.163879 24.42909 
1 1 1   -2   23    8 o  104.456   36.597   13.247   12.229 -23.3300   22.344   28.891   14.613   83.418   39.400  143.806   38.475 -60.38831 55.06985 
1 1 1   -2   23    9 o  149.973   39.044   31.570   15.316   30.210   22.966   32.660   20.554  149.777   50.222  153.020   47.175 -3.242447 68.90421 
1 1 1   -2   23   10 o  203.562   32.445   56.674   16.534   43.250   24.198   68.430   22.644  173.542   50.670  221.003   41.067 -47.46153 65.22224 
1 1 1   -2   23   11 o  187.097   52.747   51.100   26.665   51.100   26.665   0.0000   0.0000  187.097   52.747  ?   ?  0.000000 52.74718 
1 1 1   -2   23   12 o  130.067   44.340   22.272   17.904   12.270   27.644   29.500   23.500  128.111   52.412  147.916   50.792 -19.80464 72.98509 
1 1 1   -2   23   13 o  194.002   23.890   50.505   11.752   51.455   16.603   49.552   16.636  192.403   34.585  188.449   35.380 3.954300 49.47548 
1 1 1   -2   23   14 o   86.777   33.088   7.4955   10.328   10.875   18.515   5.9691   12.443  110.037   43.630   88.815   35.586 21.22253 56.30212 
1 1 1   -2   23   15 o  253.708   19.498   85.282   12.716   99.626   18.382   72.121   17.608  271.891   26.434  229.467   30.371 42.42358 40.26355 
1 1 1   -2   23   16 o   57.300   27.349 -14.1583   11.335  -1.5315   17.621 -23.0726   14.806   90.079   39.480   61.602   29.867 28.47649 49.50414 
1 1 1   -2   23   17 o  223.731   16.833   66.220   9.6839   46.940   25.195   69.562   10.490  174.736   51.891  229.053   17.820 -54.31630 54.86597 
1 1 1   -2   23   18 o   83.042   30.977   7.6685   8.9405   17.660   27.799   6.5158   9.4421  129.714   52.754   81.436   31.488 48.27859 61.43744 
1 1 1   -2   23   19 o  175.975   22.105   42.104   9.8535   19.360   29.182   45.031   10.468  131.615   53.848  181.834   22.722 -50.21898 58.44550 
1 1 1   -2   23   20 o  116.520   28.914   19.479   8.6855 -21.2400   26.784   24.264   9.1817   90.457   42.849  130.553   27.991 -40.09599 51.18146 
1 1 1   -2   23   21 o   89.632   30.810   10.751   8.6478   4.1580   21.268   12.057   9.4656  100.788   43.787   94.183   32.239 6.605682 54.37568 
1 1 1   -2   23   22 o   64.406   26.872   2.0337   7.4617 -34.1300   23.752   5.9935   7.8596   75.434   36.852   74.981   28.800 0.4538651 46.77045 
1 1 1   -2   23   23 o   81.334   30.979   7.6283   9.0469   27.850   24.448   4.4201   9.7381  132.409   50.810   75.844   31.077 56.56508 59.56011 
1 1 1   -2   23   24 o  100.728   31.044   14.954   8.9016   45.450   24.477   10.306   9.5560  158.830   51.794   88.377   32.188 70.45348 60.98115 
1 1 1   -2   23   25 o  156.419   20.950   34.023   8.2751   26.040   24.504   35.050   8.7916  126.299   50.157  158.233   22.049 -31.93365 54.78907 
1 1 1   -2   23   26 o   89.207   37.061   7.8558   14.108   0.0000   0.0000   7.8558   14.108  ?   ?    89.207   37.061 0.000000 37.06137 
1 1 1   -2   23   27 o   89.303   33.672   11.005   10.620 -13.0700   20.387   19.970   12.441   77.839   37.020  111.033   36.960 -33.19398 52.31188 
1 1 1   -2   23   28 o  109.275   29.038   18.511   8.3596   8.9190   17.847   21.207   9.4618   93.291   40.320  115.904   30.938 -22.61295 50.82172 
1 1 1   -2   23   29 o  131.880   25.683   26.172   8.4579   32.010   24.151   25.356   9.0297  123.016   49.475  128.104   27.994 -5.088417 56.84546 
1 1 1   -2   23   30 o   60.594   25.441   2.5780   6.7520 -18.0000   23.737   4.3896   7.0429   76.565   37.279   65.612   26.601 10.95338 45.79723 
1 1 1   -2   23   31 o   76.669   28.085   8.6316   7.2903  -9.8800   22.256   10.857   7.7160   77.877   37.473   83.336   29.077 -5.459000 47.43090 
1 1 1   -2   23   32 o   49.660   22.767  -2.5459   6.6328  -0.0256   16.780  -3.0126   7.2208   76.492   35.475   51.106   23.550 25.38612 42.58037 
1 1 1   -2   23   33 o   57.883   24.705   2.1854   6.5444   16.210   21.135   0.6980   6.8827   94.604   42.255   55.862   24.574 38.74228 48.88110 
1 1 1   -2   23   34 o   62.485   26.285   3.7540   7.2299  -1.5510   21.133   4.4573   7.6942   77.755   37.176   64.959   27.210 12.79562 46.07022 
1 1 1   -2   23   35 o   48.575   22.377  -2.2461   6.5139   0.6893   19.230  -2.6266   6.9232   75.587   35.950   49.427   22.875 26.15986 42.61082 
1 1 1   -2   23   36 o   72.490   29.404   8.3593   8.6100   1.6030   22.618   9.5042   9.3110   76.548   37.065   75.300   30.566 1.247604 48.04263 
1 1 1   -2   23   37 o   78.214   33.870   11.733   12.643   4.5460   16.900   20.870   19.054   72.394   34.216   87.856   39.609 -15.46225 52.34097 
1 1 1   -2   23   38 o   47.555   23.197  -9.1924   9.3135  -8.8710   12.449  -9.6010   14.036   54.788   26.746   57.051   27.967 -2.262653 38.69767 
1 1 1   -2   23   39 o   58.474   26.378   2.7380   8.4654   12.430   11.732  -7.7892   12.227   75.576   32.677   54.260   26.493 21.31561 42.06749 
1 1 1   -2   23   40 o   56.180   26.122   0.8827   9.1881   2.5512   13.205  -0.6832   12.793   62.889   29.876   59.643   28.624 3.245480 41.37524 
1 1 1   -2   23   41 o   55.148   25.547   1.5729   8.6654 -10.9068   11.946   15.429   12.588   49.843   24.690   75.358   33.189 -25.51503 41.36564 
1 1 1   -2   23   42 o   44.680   21.961  -7.9365   8.8393 -15.9603   13.229  -1.4641   11.881   48.111   24.157   54.971   26.675 -6.859585 35.98760 
1 1 1   -2   24    1 o  232.635   27.846   72.690   16.447   0.0000   0.0000   72.690   16.447  ?   ?   232.635   27.846 0.000000 27.84625 
1 1 1   -2   24    2 f  353.266   20.816  164.327   18.964   0.0000   0.0000  164.327   18.964  ?   ?   353.266   20.816 0.000000 20.81574 
1 1 1   -2   24    3 o  373.978   16.798  182.730   16.272  160.400   27.714  194.479   20.103  345.402   31.316  384.544   20.253 -39.14206 37.29446 
1 1 1   -2   24    4 o  324.673   20.865  138.953   17.455  146.900   26.303  132.700   23.332  330.436   31.096  314.721   28.945 15.71472 42.48263 
1 1 1   -2   24    5 o  406.022   18.511  215.881   19.468  218.200   29.090  214.000   26.200  404.483   27.936  401.592   25.316 2.891571 37.70079 
1 1 1   -2   24    6 o  137.875   37.523   26.633   13.759   5.8690   20.589   43.390   18.495  107.723   44.764  174.821   41.470 -67.09885 61.02111 
1 1 1   -2   24    7 o  125.443   39.680   21.404   14.443   25.920   26.720   19.540   17.166  145.304   53.681  124.046   43.365 21.25768 69.00813 
1 1 1   -2   24    8 o  556.787   15.212  404.856   21.939  366.500   38.974  422.647   26.544  523.447   28.856  567.936   18.043 -44.48938 34.03278 
1 1 1   -2   24    9 o  413.409   20.601  224.895   22.061  224.500   33.392  225.200   29.387  407.493   31.890  410.179   27.823 -2.686310 42.32136 
1 1 1   -2   24   10 o  215.182   24.617   62.153   13.474   60.459   17.204   64.840   21.670  209.434   32.788  213.880   40.600 -4.446686 52.18645 
1 1 1   -2   24   11 o  181.048   24.455   44.252   11.175   48.641   18.872   41.882   13.868  184.279   40.629  173.655   32.009 10.62360 51.72307 
1 1 1   -2   24   12 o  153.993   31.453   33.137   12.122   36.278   18.392   30.724   16.118  157.964   43.546  146.178   40.939 11.78566 59.76875 
1 1 1   -2   24   13 o  336.355   15.426  148.250   13.440  155.907   19.312  141.058   18.716  342.272   21.897  325.317   22.346 16.95526 31.28621 
1 1 1   -2   24   14 o  202.710   24.386   55.633   12.548   44.149   18.780   64.895   16.865  173.311   42.222  216.468   30.958 -43.15791 52.35599 
1 1 1   -2   24   15 f  149.586   30.269   31.514   11.326   8.9431   18.166   45.865   14.485  104.622   42.609  180.437   32.172 -75.81479 53.39031 
1 1 1   -2   24   16 o  205.528   23.335   57.338   12.203   56.367   16.840   58.412   17.708  198.958   33.890  201.963   35.125 -3.004822 48.80849 
1 1 1   -2   24   17 o  166.640   33.783   40.144   14.083   13.630   28.464   48.739   16.206  123.959   52.151  183.161   35.439 -59.20274 63.05237 
1 1 1   -2   24   18 o  456.260   12.300  273.028   14.536  234.800   32.979  282.245   16.194  408.342   31.421  463.309   13.494 -54.96689 34.19561 
1 1 1   -2   24   19 o   67.356   28.271   1.9503   8.3327 -18.3200   25.920   4.2867   8.7999   89.766   42.410   73.702   29.786 16.06407 51.82504 
1 1 1   -2   24   20 o   89.932   31.201   10.921   8.8787   42.160   28.926   7.6714   9.3291  154.931   56.066   82.337   31.436 72.59428 64.27769 
1 1 1   -2   24   21 o  237.040   18.378   75.935   11.196   36.370   30.124   82.277   12.060  144.657   56.157  246.419   19.042 -101.7611 59.29752 
1 1 1   -2   24   22 o   90.115   30.252   11.451   8.3328   31.420   25.845   9.1339   8.8029  135.953   52.224   84.278   30.863 51.67515 60.66184 
1 1 1   -2   24   23 o  123.598   29.807   22.862   9.4320  -6.0780   24.906   27.707   10.191   93.265   43.242  136.423   29.683 -43.15815 52.44968 
1 1 1   -2   24   24 o  124.246   29.021   23.161   9.1713  -0.5040   23.713   27.324   9.9452   94.846   43.320  135.071   29.270 -40.22460 52.28138 
1 1 1   -2   24   25 o   71.707   32.961  -4.6618   14.028   0.0000   0.0000  -4.6618   14.028  ?   ?    71.707   32.961 0.000000 32.96103 
1 1 1   -2   24   26 o  160.191   29.934   39.242   11.964   17.060   24.552   46.150   13.701  109.144   47.232  172.325   31.868 -63.18055 56.97735 
1 1 1   -2   24   27 o   88.707   31.403   11.915   9.0227   3.2500   24.197   13.315   9.7240   93.574   43.115   92.630   32.621 0.9440765 54.06529 
1 1 1   -2   24   28 o   91.836   30.361   13.382   8.3997   17.130   24.000   12.858   8.9668  103.748   45.753   90.288   31.354 13.45967 55.46533 
1 1 1   -2   24   29 o  162.258   20.713   38.074   8.5069  -4.9830   23.950   44.291   9.1003   83.594   39.859  175.380   20.414 -91.78609 44.78246 
1 1 1   -2   24   30 o   49.902   22.948  -2.8654   6.8090   19.400   17.764  -6.7002   7.3721  100.662   41.684   46.820   22.265 53.84251 47.25825 
1 1 1   -2   24   31 o   50.736   23.262  -2.4154   6.9256 -22.9000   20.241   0.3008   7.3704   65.904   32.552   56.771   25.179 9.132420 41.15401 
1 1 1   -2   24   32 o   70.006   26.477   7.0945   6.5791  -3.9440   21.708   8.2109   6.9038   77.476   37.211   73.510   27.261 3.965508 46.12772 
1 1 1   -2   24   33 o   61.314   25.940   3.5016   7.1064  -1.4150   20.402   4.1805   7.5812   76.194   36.456   63.768   26.876 12.42593 45.29204 
1 1 1   -2   24   34 o   62.538   26.319   4.2711   7.2535 -14.3100   19.870   7.1279   7.7912   66.313   32.659   69.768   28.086 -3.454582 43.07452 
1 1 1   -2   24   35 o   82.193   29.059   12.357   7.7234   14.280   22.721   12.106   8.2124   83.618   39.568   81.032   29.790 2.586174 49.52803 
1 1 1   -2   24   36 o   52.457   25.252  -6.4080   10.132   1.6210   17.749 -10.2888   12.340   69.971   33.617   54.109   26.460 15.86261 42.78149 
1 1 1   -2   24   37 o   83.103   34.637   16.670   12.379   0.0000   0.0000   16.670   12.379  ?   ?    83.103   34.637 0.000000 34.63665 
1 1 1   -2   24   38 o   77.641   29.761   12.668   8.3820   34.160   20.489   8.3474   9.1859   91.505   41.180   68.051   29.163 23.45385 50.46077 
1 1 1   -2   24   39 o   64.940   29.519   6.7077   10.845   15.180   23.375   4.3839   12.242   73.226   35.935   63.185   29.631 10.04073 46.57588 
1 1 1   -2   24   40 o   67.792   30.193   9.9998   10.708   19.630   18.872   5.4272   13.004   74.379   35.442   63.077   29.873 11.30194 46.35195 
1 1 1   -2   24   41 o   57.918   26.111   5.0641   8.2797  -8.4773   10.746   24.848   12.989   47.858   23.654   84.665   35.400 -36.80741 42.57520 
1 1 1   -2   24   42 o   55.651   28.206  -8.5720   20.618   0.0000   0.0000  -8.5720   20.618  ?   ?    55.651   28.206 0.000000 28.20627 
1 1 1   -2   25    1 o  218.550   24.133   63.961   13.434   53.160   23.366   69.295   16.419  190.950   47.450  226.126   28.677 -35.17538 55.44201 
1 1 1   -2   25    2 o  324.414   18.464  138.542   15.452  151.900   28.722  133.101   18.331  333.717   33.688  316.726   22.489 16.99106 40.50502 
1 1 1   -2   25    3 o  207.132   27.137   58.056   14.210   88.590   26.990   46.347   16.714  249.634   43.309  181.501   36.810 68.13257 56.83903 
1 1 1   -2   25    4 o  136.061   44.016   25.606   17.695  -8.1690   25.854   55.370   24.271  102.810   46.264  194.244   48.411 -91.43401 66.96241 
1 1 1   -2   25    5 o  317.855   24.182  134.720   19.761  121.200   28.959  146.500   27.032  294.810   38.870  327.998   32.233 -33.18781 50.49570 
1 1 1   -2   25    6 o  148.921   33.634   31.193   12.668   28.417   15.462   36.860   22.091  141.255   40.287  159.350   48.870 -18.09500 63.33519 
1 1 1   -2   25    7 o  154.980   33.517   33.779   13.064   26.150   16.785   45.500   20.805  136.262   42.734  176.321   45.308 -40.05885 62.28201 
1 1 1   -2   25    8 o  190.861   24.246   49.170   11.716   56.531   18.300   44.056   15.253  200.165   36.645  176.979   34.511 23.18599 50.33736 
1 1 1   -2   25    9 o   98.480   35.878   11.458   11.874  -3.5820   17.886   23.309   15.877   88.435   39.223  129.169   41.684 -40.73450 57.23678 
1 1 1   -2   25   10 o  422.708   13.720  233.686   15.023  219.678   21.436  247.207   21.060  407.496   20.309  432.935   18.779 -25.43854 27.66043 
1 1 1   -2   25   11 o  308.309   16.333  125.278   12.997  109.988   18.688  139.602   18.088  285.234   25.565  323.404   21.718 -38.16998 33.54459 
1 1 1   -2   25   12 o  197.322   24.083   52.872   12.054   66.901   17.889   41.207   16.313  218.455   32.612  168.186   38.303 50.26930 50.30552 
1 1 1   -2   25   13 o  142.094   31.166   28.763   11.156   34.003   18.388   25.712   14.033  150.317   44.252  132.625   38.548 17.69240 58.68687 
1 1 1   -2   25   14 o  139.589   32.046   28.057   11.342   24.592   15.134   32.498   17.133  129.333   40.580  146.656   42.584 -17.32256 58.82253 
1 1 1   -2   25   15 o   68.017   30.802  -4.7380   11.674  -2.1365   17.623  -6.7721   15.583   87.281   38.812   77.067   35.167 10.21331 52.37472 
1 1 1   -2   25   16 o  133.930   32.384   26.272   11.111   45.978   16.916   11.317   14.736  174.735   38.420  100.213   39.172 74.52200 54.86848 
1 1 1   -2   25   17 o  203.147   25.054   57.387   12.905   49.042   18.691   64.989   17.839  177.562   41.400  210.823   33.808 -33.26131 53.45070 
1 1 1   -2   25   18 o  200.483   28.446   57.338   14.358   22.210   30.876   67.031   16.218  129.660   54.420  216.094   29.764 -86.43442 62.02750 
1 1 1   -2   25   19 o  130.476   25.296   24.327   8.2409  -3.8410   26.380   27.374   8.6751   98.975   45.386  138.703   25.068 -39.72807 51.84882 
1 1 1   -2   25   20 o   70.670   29.247   3.4157   8.7375 -12.5000   22.059   6.3773   9.5157   84.006   39.516   78.921   31.283 5.085564 50.39990 
1 1 1   -2   25   21 o  161.075   23.415   36.649   9.4833   29.860   24.372   37.860   10.295  131.453   50.657  162.711   25.243 -31.25795 56.59814 
1 1 1   -2   25   22 o   66.104   28.034   2.0403   8.3318   0.6908   25.344   2.2039   8.8222   98.006   44.771   67.868   28.818 30.13799 53.24461 
1 1 1   -2   25   23 o  100.119   38.278   14.640   13.844  -4.4810   26.427   21.873   16.253   94.051   43.920  114.939   41.961 -20.88840 60.74282 
1 1 1   -2   25   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   25   25 o   99.259   30.179   15.480   8.4483   21.850   23.643   14.547   9.0455  112.062   47.358   96.197   31.492 15.86505 56.87253 
1 1 1   -2   25   26 o   82.041   30.467   9.7443   8.6291   29.310   23.093   6.5690   9.3030  118.553   48.133   75.532   30.591 43.02064 57.03112 
1 1 1   -2   25   27 o   76.547   29.565   8.0181   8.3165 -14.4100   21.343   12.033   9.0302   74.475   36.047   87.332   31.363 -12.85688 47.78096 
1 1 1   -2   25   28 o   58.776   26.025   0.3482   7.8428 -20.3200   18.041   5.1647   8.7088   64.321   31.566   70.038   29.110 -5.717453 42.93928 
1 1 1   -2   25   29 f   56.330   25.352  -0.7035   7.7677   51.080   20.785  -9.1103   8.3745  147.578   47.700   47.589   22.921 99.98947 52.92102 
1 1 1   -2   25   30 o   77.450   28.192   9.4564   7.3293   21.670   22.266   7.9722   7.7618   99.242   43.902   73.726   28.538 25.51572 52.36205 
1 1 1   -2   25   31 o   53.814   23.657   0.7714   6.3697   3.6660   21.753   0.4999   6.6617   81.483   38.603   54.211   23.996 27.27240 45.45341 
1 1 1   -2   25   32 o   75.749   29.075   9.3480   8.0073  -3.9510   18.651   12.353   8.8661   71.534   34.392   83.366   30.897 -11.83208 46.23238 
1 1 1   -2   25   33 o   46.389   22.336  -7.4297   7.9379 -26.5900   20.033  -3.8611   8.6456   60.248   30.176   52.510   24.712 7.738091 39.00382 
1 1 1   -2   25   34 o   60.850   26.929   3.0370   8.3861   3.2740   22.557   2.9990   9.0336   75.229   36.563   61.929   27.646 13.29953 45.83798 
1 1 1   -2   25   35 o   55.243   26.305  -3.5359   10.356 -11.5400   18.693   0.0086   12.440   62.270   30.853   62.263   29.405 0.7392883E-02 42.62125 
1 1 1   -2   25   36 o   50.487   24.596  -7.8990   10.375   0.0000   0.0000  -7.8990   10.375  ?   ?    50.487   24.596 0.000000 24.59608 
1 1 1   -2   25   37 o   64.442   27.406   7.0600   8.0006   28.360   23.066   4.1469   8.5301   81.925   39.078   59.724   26.748 22.20105 47.35526 
1 1 1   -2   25   38 o   50.751   23.531   0.0444   7.3753   42.280   21.837  -5.3935   7.8357   90.880   41.533   45.370   21.931 45.51047 46.96738 
1 1 1   -2   25   39 o   55.357   25.874   1.8837   9.2045   36.880   23.613  -4.3870   9.9952   80.248   38.610   50.251   24.404 29.99661 45.67585 
1 1 1   -2   25   40 o   44.170   21.836  -8.8782   9.1780 -26.4400   21.748  -5.0727   10.124   52.946   27.034   48.829   23.897 4.117340 36.08178 
1 1 1   -2   25   41 o   41.254   20.680 -13.0493   9.5013   0.0000   0.0000 -13.0493   9.5013  ?   ?    41.254   20.680 0.000000 20.68026 
1 1 1   -2   26    1 o  201.990   23.899   55.047   12.262   73.399   18.641   41.050   16.280  230.283   32.126  168.997   38.100 61.28569 49.83696 
1 1 1   -2   26    2 o   80.097   33.051   3.4360   11.111   7.9065   16.717  -0.1023   14.872  101.044   40.977   84.877   36.745 16.16699 55.03949 
1 1 1   -2   26    3 o  183.098   26.850   45.869   12.356   52.870   22.108   42.689   14.900  188.738   45.707  173.743   34.326 14.99467 57.16135 
1 1 1   -2   26    4 o  479.116   15.010  300.843   18.628  305.900   33.830  298.643   22.315  475.833   27.566  476.093   18.095 -0.2601013 32.97399 
1 1 1   -2   26    5 o  179.726   29.855   44.843   13.411   76.840   27.669   35.017   15.333  226.171   48.671  155.469   38.319 70.70226 61.94551 
1 1 1   -2   26    6 o  448.004   13.229  262.507   15.352  257.784   23.642  265.951   20.187  440.850   20.703  449.360   17.343 -8.510040 27.00784 
1 1 1   -2   26    7 o  347.776   15.025  158.730   13.535  143.362   19.759  172.316   18.579  326.664   23.509  360.020   20.002 -33.35626 30.86636 
1 1 1   -2   26    8 o   85.780   33.493   7.0097   10.763 -24.4491   17.469   26.259   13.665   68.019   32.847  134.404   37.714 -66.38478 50.01313 
1 1 1   -2   26    9 o  130.652   33.376   24.585   11.336   28.926   15.840   20.026   16.232  139.889   41.039  120.762   42.171 19.12702 58.84372 
1 1 1   -2   26   10 o   67.496   30.131  -3.0918   10.732  -7.4346   15.881   0.5578   14.559   77.666   35.465   83.851   36.328 -6.184395 50.76890 
1 1 1   -2   26   11 o  182.977   25.583   46.238   11.794   56.065   19.292   40.374   14.903  194.182   39.695  166.140   35.694 28.04153 53.38321 
1 1 1   -2   26   12 o  240.163   20.126   77.662   12.405   60.245   17.215   96.471   17.890  204.425   33.685  264.341   26.484 -59.91692 42.84917 
1 1 1   -2   26   13 o  298.990   17.264  119.203   13.314  122.296   19.237  116.359   18.445  298.159   25.142  291.089   24.696 7.070374 35.24206 
1 1 1   -2   26   14 f  171.444   26.430   41.368   11.360   35.623   16.768   46.242   15.445  150.886   41.572  176.542   35.012 -25.65594 54.35159 
1 1 1   -2   26   15 o  107.987   35.771   17.042   11.658   26.927   16.001   5.8608   17.019  131.115   41.798   94.256   40.025 36.85893 57.87123 
1 1 1   -2   26   16 o  313.492   17.050  131.829   13.793  121.946   20.838  139.536   18.401  293.326   27.756  318.600   22.440 -25.27383 35.69281 
1 1 1   -2   26   17 o  231.239   20.982   73.474   12.431   81.144   17.601   65.840   17.560  236.951   29.301  210.040   33.393 26.91058 44.42548 
1 1 1   -2   26   18 o  194.730   31.331   56.249   15.268   31.120   28.791   66.080   18.009  134.159   53.997  208.638   34.530 -74.47884 64.09373 
1 1 1   -2   26   19 o  173.680   23.202   42.566   10.177 -19.3000   28.728   51.444   10.883   89.737   43.022  191.694   22.336 -101.9575 48.47413 
1 1 1   -2   26   20 o   61.012   27.408  -2.1170   9.0279   52.390   26.191  -9.4663   9.6173  162.365   53.608   53.729   25.516 108.6358 59.37080 
1 1 1   -2   26   21 o  172.333   20.075   41.426   8.7936   23.850   24.593   44.002   9.4161  118.985   49.141  177.137   20.926 -58.15142 53.41076 
1 1 1   -2   26   22 o  115.717   39.556   22.811   14.249   0.0000   0.0000   22.811   14.249  ?   ?   115.717   39.556 0.000000 39.55575 
1 1 1   -2   26   23 o   64.224   28.667  -0.6381   9.7100   12.290   19.938  -4.6580   11.118   98.675   42.632   62.878   29.061 35.79683 51.59447 
1 1 1   -2   26   24 o   89.385   27.487   12.355   6.9833   63.090   21.148   6.1456   7.3983  181.673   45.139   71.108   27.767 110.5654 52.99572 
1 1 1   -2   26   25 o  145.615   23.946   31.687   8.7181   31.160   19.475   31.819   9.7495  121.108   45.613  143.181   27.283 -22.07298 53.14978 
1 1 1   -2   26   26 o   58.706   26.260  -0.3310   8.1949   20.170   17.915  -5.7557   9.2155  102.261   42.056   54.394   25.572 47.86749 49.21979 
1 1 1   -2   26   27 o   93.574   31.023   14.950   8.7678  -0.3188   21.386   18.035   9.6128   81.255   38.430  101.313   32.407 -20.05859 50.27024 
1 1 1   -2   26   28 o   53.315   24.458  -2.1984   7.6720 -19.0300   21.844   0.1700   8.1940   69.413   34.196   58.556   26.221 10.85678 43.09196 
1 1 1   -2   26   29 o   52.223   23.688  -1.1376   6.9374   29.290   22.164  -4.4424   7.3045  105.309   45.220   48.601   22.822 56.70750 50.65234 
1 1 1   -2   26   30 o   88.522   27.710   13.439   7.0614  -0.9627   22.173   15.065   7.4492   77.288   37.244   93.166   28.341 -15.87807 46.80073 
1 1 1   -2   26   31 o   53.781   24.616  -1.0735   7.7101   7.6320   17.020  -3.3212   8.6483   78.156   36.064   53.362   24.986 24.79430 43.87361 
1 1 1   -2   26   32 o   49.271   23.452  -5.2276   8.2157 -24.9400   20.482  -1.4480   8.9688   60.684   30.412   55.846   25.913 4.837959 39.95441 
1 1 1   -2   26   33 o   54.123   24.720   0.0764   7.7211   4.0240   22.803  -0.4348   8.2059   74.230   36.229   54.538   25.121 19.69117 44.08630 
1 1 1   -2   26   34 o   58.063   27.306  -0.5113   10.524   14.900   19.579  -6.7726   12.480   77.804   36.790   55.786   27.132 22.01854 45.71289 
1 1 1   -2   26   35 o   59.110   28.815  -4.1460   14.302   0.0000   0.0000  -4.1460   14.302  ?   ?    59.110   28.815 0.000000 28.81470 
1 1 1   -2   26   36 o   61.425   27.246   5.5889   8.6327   8.7900   23.452   5.0871   9.2847   69.555   34.479   61.201   27.615 8.353947 44.17469 
1 1 1   -2   26   37 o  106.552   29.573   24.190   8.4504   7.2310   17.293   29.510   9.6856   65.769   31.976  114.860   31.575 -49.09080 44.93838 
1 1 1   -2   26   38 o   58.732   26.221   5.5402   8.1291   12.280   24.421   4.7003   8.6207   66.581   33.344   57.789   26.288 8.792229 42.46004 
1 1 1   -2   26   39 o   38.075   18.993 -11.4933   7.5830 -20.9400   18.318  -9.5397   8.3303   50.865   25.862   41.390   20.523 9.475010 33.01587 
1 1 1   -2   26   40 o   48.701   23.711  -1.9513   9.5990   0.0000   0.0000  -1.9513   9.5990  ?   ?    48.701   23.711 0.000000 23.71107 
1 1 1   -2   27    1 o   86.183   32.756   7.9946   10.101  -3.2367   16.343   14.936   12.848   83.687   37.284  106.432   37.496 -22.74515 52.87764 
1 1 1   -2   27    2 o  134.776   33.781   26.291   11.770   27.715   17.591   25.138   15.838  136.835   43.847  131.053   41.563 5.782455 60.41583 
1 1 1   -2   27    3 o  251.092   20.082   84.447   12.952   78.130   19.015   89.915   17.691  235.648   31.977  255.776   27.116 -20.12831 41.92594 
1 1 1   -2   27    4 o  128.460   34.501   24.007   11.723   27.479   17.355   21.093   15.899  135.933   43.551  122.064   41.783 13.86863 60.35294 
1 1 1   -2   27    5 o  172.973   28.604   41.974   12.368   50.720   23.478   38.615   14.551  179.081   49.131  162.591   35.542 16.48987 60.63889 
1 1 1   -2   27    6 o  247.091   22.070   82.615   13.977   94.450   28.952   79.019   15.960  247.480   46.880  239.578   26.142 7.902054 53.67648 
1 1 1   -2   27    7 o  291.987   17.634  113.570   13.275  114.757   20.444  112.704   17.455  287.757   27.773  287.741   23.627 0.1599121E-01 36.46301 
1 1 1   -2   27    8 o   89.933   33.385   9.7333   10.360  -3.8338   15.364   21.044   14.029   79.517   35.735  119.863   39.217 -40.34579 53.05607 
1 1 1   -2   27    9 o  286.390   17.848  109.655   13.174   90.332   19.831  124.920   17.626  252.009   31.035  302.940   22.625 -50.93092 38.40646 
1 1 1   -2   27   10 o  123.077   34.424   22.556   11.404   34.548   17.153   13.056   15.267  148.312   42.477  103.576   40.043 44.73582 58.37601 
1 1 1   -2   27   11 o  141.950   33.073   29.956   11.935   20.020   17.453   38.684   16.358  117.801   43.409  157.605   40.001 -39.80420 59.02907 
1 1 1   -2   27   12 o  225.646   21.727   69.860   12.543   63.944   18.374   75.022   17.164  206.578   35.624  228.622   29.683 -22.04353 46.36970 
1 1 1   -2   27   13 o  228.076   22.425   71.857   13.077   77.095   20.277   68.128   17.111  226.158   35.805  215.746   31.550 10.41106 47.72260 
1 1 1   -2   27   14 o  136.055   32.986   28.114   11.504   31.716   15.960   24.218   16.598  139.659   41.258  123.218   42.666 16.44128 59.35148 
1 1 1   -2   27   15 o   91.451   34.967   10.681   11.553   11.045   18.239   10.436   14.931  101.072   42.078   95.723   38.759 5.349251 57.20822 
1 1 1   -2   27   16 o  159.238   29.679   37.670   11.791   12.622   15.740   69.707   17.801   99.788   40.009  214.759   33.060 -114.9707 51.90035 
1 1 1   -2   27   17 o   67.073   29.766  -0.8064   10.315   7.0766   16.833  -5.5466   13.053   92.282   39.511   68.674   31.651 23.60859 50.62490 
1 1 1   -2   27   18 o  188.944   23.920   50.999   11.445   43.457   15.354   60.430   17.169  163.975   37.024  196.212   35.068 -32.23703 50.99539 
1 1 1   -2   27   19 o  152.472   36.206   37.876   14.087   49.920   27.134   33.432   16.482  152.624   54.412  137.557   42.216 15.06752 68.86877 
1 1 1   -2   27   20 o   70.126   33.185 -10.0634   15.987   0.0000   0.0000 -10.0634   15.987  ?   ?    70.126   33.185 0.000000 33.18549 
1 1 1   -2   27   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   27   22 o   88.092   31.824   11.969   9.3136 -10.2000   26.346   15.135   9.9565   85.054   40.888   96.370   33.063 -11.31615 52.58297 
1 1 1   -2   27   23 o   74.111   28.466   7.4177   7.6783   6.4700   25.033   7.5161   8.0671   92.956   43.187   74.910   29.066 18.04644 52.05713 
1 1 1   -2   27   24 o  141.473   25.718   30.942   9.0772  -1.4300   25.652   35.575   9.7052   86.093   41.106  152.049   25.548 -65.95654 48.39802 
1 1 1   -2   27   25 o   66.875   28.576   3.8533   8.7741 -22.4300   24.174   7.8410   9.4162   71.870   35.514   75.847   30.756 -3.976929 46.98011 
1 1 1   -2   27   26 o   57.674   26.167  -0.8358   8.4710   12.080   22.026  -3.0777   9.1768   89.718   41.263   56.560   26.233 33.15770 48.89569 
1 1 1   -2   27   27 o   78.044   28.927   9.9218   7.7720   2.2040   22.414   10.977   8.2861   80.815   38.541   80.909   29.893 -0.9385681E-01 48.77495 
1 1 1   -2   27   28 o   56.695   24.761   1.6836   6.8775  -6.5220   21.810   2.5896   7.2472   73.591   35.810   59.430   25.690 14.16040 44.07151 
1 1 1   -2   27   29 o   94.319   29.034   15.970   7.7892   0.2179   20.574   18.606   8.4156   75.109   36.113  101.007   29.989 -25.89772 46.94152 
1 1 1   -2   27   30 o   92.577   29.885   16.087   8.1604   13.720   17.200   16.774   9.2702   82.651   37.413   92.211   31.888 -9.559738 49.15861 
1 1 1   -2   27   31 o   46.097   22.350  -8.0944   8.2931  -9.1870   21.075  -7.8942   9.0209   66.963   33.102   48.387   23.424 18.57639 40.55151 
1 1 1   -2   27   32 o   72.461   28.819   9.7734   8.1009   47.940   23.283   4.5169   8.6408  105.110   45.740   62.262   27.456 42.84723 53.34768 
1 1 1   -2   27   33 o   48.847   23.889  -8.7183   10.062 -30.2900   19.994  -1.4012   11.645   54.688   27.724   58.078   27.720 -3.389442 39.20525 
1 1 1   -2   27   34 o   57.162   28.199  -7.0570   15.022   0.0000   0.0000  -7.0570   15.022  ?   ?    57.162   28.199 0.000000 28.19866 
1 1 1   -2   27   35 o   39.654   19.694 -11.6025   7.7911 -24.3900   22.975  -9.9409   8.2818   56.738   28.860   42.277   20.871 14.46043 35.61589 
1 1 1   -2   27   36 f   56.728   25.863   3.9129   8.4039  -9.2050   18.902   7.1450   9.3822   57.225   28.752   62.151   27.928 -4.926170 40.08339 
1 1 1   -2   27   37 o   63.039   27.183   8.5064   8.0739 -34.7700   23.654   14.214   8.5898   52.361   26.844   74.303   29.637 -21.94209 39.98675 
1 1 1   -2   27   38 o   61.343   27.119   8.5735   8.4829   7.3590   21.668   8.7933   9.2187   60.679   30.528   61.450   27.642 -0.7712135 41.18287 
1 1 1   -2   27   39 o   48.626   22.823   1.6051   7.2912   0.0000   0.0000   1.6051   7.2912  ?   ?    48.626   22.823 0.000000 22.82345 
1 1 1   -2   28    1 o  279.689   18.612  105.049   13.407  116.841   20.336   95.983   17.831  289.174   27.479  262.516   26.588 26.65826 38.23649 
1 1 1   -2   28    2 o  109.200   35.226   17.333   11.339   2.7518   17.964   26.991   14.620   92.711   40.260  132.703   39.556 -39.99194 56.44119 
1 1 1   -2   28    3 o  344.127   15.338  156.881   13.672  139.740   19.785  172.551   18.916  318.817   24.136  357.247   20.527 -38.42990 31.68461 
1 1 1   -2   28    4 o  258.282   19.195   89.987   12.750   64.529   17.920  116.089   18.145  209.611   34.182  290.128   24.370 -80.51758 41.97984 
1 1 1   -2   28    5 f  306.776   16.894  125.776   13.373  103.913   20.968  140.766   17.362  269.481   30.580  321.979   20.931 -52.49866 37.05764 
1 1 1   -2   28    6 o  329.881   17.167  145.677   14.618  174.700   28.851  135.652   16.956  347.476   32.428  315.881   20.839 31.59573 38.54720 
1 1 1   -2   28    7 o  250.493   23.123   86.617   14.834   54.940   29.003   97.839   17.263  172.834   56.381  264.618   25.501 -91.78432 61.88037 
1 1 1   -2   28    8 o  312.567   16.158  130.625   13.037  110.582   18.783  149.257   18.110  280.503   26.153  330.453   21.270 -49.94965 33.71024 
1 1 1   -2   28    9 o  140.479   32.699   29.744   11.676   6.1162   18.109   46.553   15.274   95.307   40.898  175.177   34.887 -79.86969 53.75676 
1 1 1   -2   28   10 o   99.352   35.194   14.123   11.335   33.590   15.933  -5.8207   16.127  143.774   40.858   77.117   35.409 66.65659 54.06619 
1 1 1   -2   28   11 o  293.968   18.212  117.218   13.800  138.271   21.382  102.189   18.066  311.490   26.760  267.896   26.376 43.59409 37.57396 
1 1 1   -2   28   12 o   65.261   29.782  -4.2084   11.179  -1.7955   16.701  -6.1672   15.048   81.910   36.991   73.526   33.921 8.383797 50.18959 
1 1 1   -2   28   13 o  130.961   34.351   26.945   11.797   10.587   16.641   43.473   16.727   97.211   40.307  162.547   40.000 -65.33616 56.78651 
1 1 1   -2   28   14 o  169.081   26.675   41.712   11.295   39.349   18.592   43.094   14.221  149.240   44.634  166.216   34.171 -16.97617 56.21272 
1 1 1   -2   28   15 o  211.426   21.751   62.816   11.742   58.662   15.954   67.726   17.345  195.228   32.705  209.667   33.030 -14.43855 46.48238 
1 1 1   -2   28   16 o   79.752   32.629   6.5221   10.715   7.6910   17.341   5.8003   13.627   92.130   39.782   83.802   35.706 8.328270 53.45564 
1 1 1   -2   28   17 o  112.139   35.437   20.696   11.521   23.398   16.767   18.280   15.858  115.438   42.547  106.065   40.864 9.372719 58.99247 
1 1 1   -2   28   18 o   94.394   34.075   13.853   10.675  -2.9350   21.682   19.224   12.264   85.682   39.935  107.107   36.697 -21.42435 54.23548 
1 1 1   -2   28   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   28   20 f   65.433   28.379   2.0224   8.9029   37.060   23.777  -3.6911   9.6014  126.841   49.710   58.775   27.109 68.06647 56.62091 
1 1 1   -2   28   21 o   74.475   29.935   6.9693   8.8358 -10.2100   24.464   9.5465   9.4755   80.585   38.905   81.051   31.487 -0.4655838 50.05018 
1 1 1   -2   28   22 o   45.131   21.549  -7.0136   7.0500 -49.8900   24.107  -3.0036   7.3723   62.199   31.405   51.658   23.801 10.54100 39.40503 
1 1 1   -2   28   23 o   56.885   25.498  -0.2435   7.7686   64.440   25.943  -6.6147   8.1422  151.558   53.292   49.311   23.436 102.2462 58.21737 
1 1 1   -2   28   24 o   57.021   26.009  -1.2462   8.5125   20.030   23.516  -4.4544   9.1317   96.312   43.658   54.577   25.593 41.73488 50.60667 
1 1 1   -2   28   25 o   85.400   30.670   12.819   8.6356   12.470   21.810   12.884   9.4042   87.533   40.542   85.217   31.774 2.316223 51.50996 
1 1 1   -2   28   26 o   70.589   27.673   7.5142   7.3706   12.740   21.482   6.8170   7.8469   86.022   39.979   69.392   28.098 16.62946 48.86518 
1 1 1   -2   28   27 o   80.127   27.911   11.163   7.1082  -6.7130   20.881   13.506   7.5597   70.948   34.636   86.815   28.807 -15.86719 45.05048 
1 1 1   -2   28   28 o   48.441   22.808  -3.8383   7.3805   24.670   18.098  -9.5253   8.0832   94.938   40.816   44.557   21.708 50.38130 46.22990 
1 1 1   -2   28   29 o   41.856   20.627 -11.8128   7.9709 -10.5600   18.819 -12.0867   8.7992   64.050   31.590   44.222   21.770 19.82825 38.36512 
1 1 1   -2   28   30 o   63.594   27.670   5.2717   8.5180  -7.2990   21.840   7.5270   9.2506   66.840   33.157   68.315   29.271 -1.475075 44.22873 
1 1 1   -2   28   31 o   70.813   28.524   9.5883   8.0411   14.090   22.742   8.9450   8.5964   75.521   36.707   69.357   28.882 6.163544 46.70695 
1 1 1   -2   28   32 o   51.932   25.099  -4.6246   10.253   6.2500   21.766  -7.7260   11.624   68.812   33.945   51.977   25.474 16.83539 42.44040 
1 1 1   -2   28   33 o   72.983   34.111   15.910   15.995   0.0000   0.0000   15.910   15.995  ?   ?    72.983   34.111 0.000000 34.11140 
1 1 1   -2   28   34 o   52.180   24.385   0.8176   8.1691 -38.5000   23.493   6.2253   8.7128   52.740   27.019   60.528   27.076 -7.788265 38.25087 
1 1 1   -2   28   35 o   61.650   27.652   7.6263   9.1523   14.600   21.164   6.0220   10.151   66.453   32.908   59.747   27.668 6.706005 42.99317 
1 1 1   -2   28   36 o   68.066   29.186   12.453   9.2095   31.990   22.575   8.5519   10.087   71.503   35.135   61.474   28.144 10.02892 45.01722 
1 1 1   -2   28   37 o   41.863   20.855  -9.6536   9.0122 -25.9500   24.058  -6.9936   9.7199   51.685   26.536   44.946   22.265 6.738853 34.63974 
1 1 1   -2   28   38 o   40.416   20.344 -12.8338   9.6863   0.0000   0.0000 -12.8338   9.6863  ?   ?    40.416   20.344 0.000000 20.34352 
1 1 1   -2   29    1 o  183.648   26.039   48.117   12.040   56.889   17.345   39.960   16.726  192.348   36.139  156.934   40.774 35.41447 54.48483 
1 1 1   -2   29    2 o  101.039   34.967   14.930   11.148   17.280   17.842   13.425   14.277  110.560   43.135  100.497   38.759 10.06333 57.99075 
1 1 1   -2   29    3 o  158.430   31.080   37.437   12.299   59.621   19.309   22.291   15.955  193.466   39.856  118.716   41.787 74.74973 57.74702 
1 1 1   -2   29    4 o  108.677   33.458   17.981   10.343   47.336   15.334  -6.5238   14.010  175.544   34.951   70.807   32.689 104.7365 47.85596 
1 1 1   -2   29    5 o   70.658   31.036   0.0860   10.942 -13.4825   17.938   8.1273   13.809   73.991   35.054   89.933   36.947 -15.94193 50.93024 
1 1 1   -2   29    6 o  181.568   26.141   47.407   11.940   43.866   17.954   50.215   15.988  161.935   42.329  179.803   35.588 -17.86798 55.30129 
1 1 1   -2   29    7 o   68.069   31.127  -4.4316   12.289 -21.0400   23.498   1.8211   14.418   79.776   38.417   81.222   35.652 -1.446320 52.41082 
1 1 1   -2   29    8 o  138.277   36.177   30.574   13.107   52.960   25.831   22.812   15.210  164.542   53.175  118.104   40.846 46.43848 67.05224 
1 1 1   -2   29    9 o   99.743   35.038   14.981   11.213  -2.2192   17.608   26.717   14.544   82.461   37.533  126.621   39.790 -44.16003 54.69884 
1 1 1   -2   29   10 o   64.429   29.492  -4.1516   11.070  -5.5440   16.007  -2.8748   15.327   75.496   34.884   76.763   34.970 -1.267258 49.39436 
1 1 1   -2   29   11 o   73.034   31.388   2.6436   10.695   15.555   17.500  -5.0544   13.512  104.045   42.020   69.829   32.191 34.21549 52.93276 
1 1 1   -2   29   12 o  142.455   29.766   31.018   10.630   42.516   14.811   18.805   15.265  161.772   36.244  107.888   40.431 53.88406 54.29839 
1 1 1   -2   29   13 o   95.308   34.223   13.856   10.752   10.755   17.831   15.628   13.479   96.084   40.889  100.421   37.918 -4.337189 55.76439 
1 1 1   -2   29   14 o   76.016   31.152   5.8874   9.7868  -0.7981   14.452   11.550   13.301   75.711   34.281   91.855   36.796 -16.14474 50.29037 
1 1 1   -2   29   15 o  114.959   33.120   21.672   10.400   21.748   16.450   21.622   13.424  110.728   41.870  111.679   38.386 -0.9506607 56.80313 
1 1 1   -2   29   16 o  212.943   29.789   70.421   15.981   80.630   21.430   57.630   23.988  214.747   39.997  162.794   51.092 51.95381 64.88519 
1 1 1   -2   29   17 o  167.609   55.972   70.130   28.524   70.130   28.524   0.0000   0.0000  167.609   55.972  ?   ?  0.000000 55.97176 
1 1 1   -2   29   18 o   80.826   34.610   7.1000   12.920   5.1429   15.968   10.810   21.985   82.267   36.738   94.030   42.455 -11.76290 56.14362 
1 1 1   -2   29   19 o   88.718   30.001   12.886   8.1961   14.750   11.880   11.193   11.322   92.763   35.461   85.304   34.025 7.459030 49.14442 
1 1 1   -2   29   20 o   72.224   28.464   7.1165   7.8363 -17.1300   19.385   11.853   8.5676   67.533   33.055   84.892   30.542 -17.35864 45.00494 
1 1 1   -2   29   21 o   84.906   28.724   12.015   7.5131 -11.2300   20.642   15.565   8.0664   71.790   34.911   95.270   29.583 -23.48050 45.75959 
1 1 1   -2   29   22 o   84.851   29.498   12.350   7.9376  -4.8870   21.944   14.945   8.5141   75.901   36.692   91.827   30.577 -15.92588 47.76262 
1 1 1   -2   29   23 o   98.657   31.057   17.805   8.8562   44.440   22.675   13.010   9.6204  120.595   48.136   84.851   32.035 35.74422 57.82160 
1 1 1   -2   29   24 o  115.349   28.711   23.242   8.5447   48.490   21.762   18.640   9.2908  125.876   48.023   99.086   31.877 26.78999 57.64034 
1 1 1   -2   29   25 o  127.086   23.030   25.692   7.3021   15.030   20.198   27.295   7.8318   85.117   39.280  129.868   24.171 -44.75095 46.12071 
1 1 1   -2   29   26 o   84.484   28.590   13.118   7.4430   1.5010   18.409   15.388   8.1378   71.979   34.490   90.053   29.889 -18.07327 45.63872 
1 1 1   -2   29   27 o   72.233   28.550   9.1513   7.9043   2.2290   16.769   11.129   8.9625   69.756   33.286   76.715   30.375 -6.958420 45.06266 
1 1 1   -2   29   28 o   61.717   27.252   4.2164   8.5413  -6.0620   19.950   6.5232   9.4513   65.792   32.464   66.614   29.062 -0.8213577 43.57137 
1 1 1   -2   29   29 o   60.440   26.879   4.1577   8.4547 -12.1200   21.591   7.1058   9.1885   62.809   31.440   66.114   28.752 -3.304691 42.60450 
1 1 1   -2   29   30 o   37.386   18.734 -15.4582   7.7648 -10.1500   21.784 -16.2308   8.3106   61.938   31.085   38.551   19.327 23.38728 36.60403 
1 1 1   -2   29   31 o   56.785   28.119  -6.5140   15.450   0.0000   0.0000  -6.5140   15.450  ?   ?    56.785   28.119 0.000000 28.11946 
1 1 1   -2   29   32 o   54.677   26.463  -1.2732   11.497 -30.7400   18.206   18.270   14.827   49.444   25.200   73.709   33.883 -24.26540 42.22740 
1 1 1   -2   29   33 o   50.067   23.935  -1.0876   8.7542   29.320   23.637  -5.9217   9.4244   72.077   35.521   46.861   22.960 25.21681 42.29557 
1 1 1   -2   29   34 o   60.002   26.992   7.4378   8.7915   5.0910   22.699   7.8520   9.5357   60.763   30.655   60.620   27.603 0.1422348 41.25116 
1 1 1   -2   29   35 o   63.460   27.918   10.555   8.8852   14.220   18.379   9.4371   10.150   62.512   30.904   61.071   28.059 1.440971 41.74184 
1 1 1   -2   29   36 o   46.626   22.580  -1.2602   8.4037 -60.7500   24.237   6.8690   8.9595   45.357   23.423   56.190   26.011 -10.83292 35.00295 
1 1 1   -2   29   37 o   73.732   31.488   22.220   10.643   0.0000   0.0000   22.220   10.643  ?   ?    73.732   31.488 0.000000 31.48844 
1 1 1   -2   30    1 f  203.982   23.825   59.444   12.352   35.725   17.354   83.795   17.584  142.113   43.264  237.287   29.226 -95.17476 52.20990 
1 1 1   -2   30    2 o  165.912   30.042   41.671   12.435   29.297   18.601   51.671   16.721  127.740   45.104  178.426   37.377 -50.68636 58.57774 
1 1 1   -2   30    3 o  156.582   29.706   37.132   11.608   18.181   17.390   52.362   15.589  108.030   42.458  182.544   34.226 -74.51337 54.53516 
1 1 1   -2   30    4 o  285.250   18.295  111.687   13.447  105.450   19.534  117.304   18.537  266.506   28.753  285.156   25.361 -18.65030 38.33950 
1 1 1   -2   30    5 o  185.903   23.328   49.449   10.986   50.337   17.011   48.814   14.390  174.041   38.732  177.246   32.541 -3.205475 50.58707 
1 1 1   -2   30    6 o  327.627   16.615  146.033   14.054  148.268   20.651  144.104   19.181  320.560   25.070  318.031   23.450 2.529083 34.32765 
1 1 1   -2   30    7 o  165.979   26.422   40.728   10.979   41.046   15.853   40.435   15.219  155.126   39.383  155.197   38.132 -0.7057190E-01 54.81844 
1 1 1   -2   30    8 o   55.849   27.138 -16.3824   12.408 -20.8800   25.982 -15.0536   14.122   81.298   39.450   61.605   29.695 19.69303 49.37709 
1 1 1   -2   30    9 o  112.832   36.480   21.360   12.156   20.520   22.249   21.717   14.514  110.692   46.311  112.236   39.819 -1.544373 61.07559 
1 1 1   -2   30   10 o  188.426   24.876   52.117   11.845   37.909   18.922   61.272   15.189  139.743   45.538  199.058   30.423 -59.31413 54.76524 
1 1 1   -2   30   11 f   83.941   32.280   9.8140   9.8809   1.5950   14.722   16.551   13.329   78.320   35.104  100.482   37.756 -22.16131 51.55373 
1 1 1   -2   30   12 o   71.553   31.704   1.4379   11.658  -7.5900   21.957   4.9822   13.758   81.312   38.598   80.550   35.104 0.7624664 52.17366 
1 1 1   -2   30   13 o   88.539   34.990   11.571   11.871  -3.6060   17.958   23.351   15.821   77.563   36.216  111.641   41.294 -34.07773 54.92483 
1 1 1   -2   30   14 o  140.890   45.809   41.650   19.152   0.0000   0.0000   41.650   19.152  ?   ?   140.890   45.809 0.000000 45.80862 
1 1 1   -2   30   15 o   95.366   42.618   13.110   21.531   13.110   21.531   0.0000   0.0000   95.366   42.618  ?   ?  0.000000 42.61812 
1 1 1   -2   30   16 o   85.848   34.924   11.294   12.187   19.463   16.691   1.9660   17.836  100.568   40.887   79.915   36.890 20.65250 55.06934 
1 1 1   -2   30   17 o  103.848   34.362   19.714   10.759   3.5044   15.122   36.329   15.310   76.930   34.926  133.666   40.623 -56.73627 53.57251 
1 1 1   -2   30   18 o   87.688   31.764   13.324   9.2876   18.407   13.711   9.0147   12.625   96.756   37.796   80.328   34.301 16.42815 51.03964 
1 1 1   -2   30   19 o   99.011   32.610   18.107   9.6936   17.216   14.260   18.873   13.217   92.941   37.789   96.533   37.275 -3.592377 53.07982 
1 1 1   -2   30   20 o   52.401   25.032  -6.9038   9.5378   4.3120   17.993 -11.2873   11.248   77.529   36.217   53.067   25.798 24.46209 44.46555 
1 1 1   -2   30   21 o   87.617   29.583   13.830   7.9692  -5.6000   19.223   17.862   8.7572   70.373   34.098   98.140   30.881 -27.76666 46.00348 
1 1 1   -2   30   22 o   63.009   27.019   4.1952   7.8938   46.990   19.723  -3.9672   8.6138  127.376   46.266   52.251   24.613 75.12512 52.40528 
1 1 1   -2   30   23 o  103.554   27.931   19.117   7.6643   17.250   18.978   19.481   8.3779   85.893   39.045  102.271   29.802 -16.37735 49.11898 
1 1 1   -2   30   24 o   59.974   25.146   4.3298   6.5816   15.100   17.173   2.4756   7.1256   82.289   37.304   57.192   25.085 25.09649 44.95412 
1 1 1   -2   30   25 o   41.892   20.379  -8.0553   7.0508 -26.8300   17.242  -4.2855   7.7263   53.912   27.137   48.163   22.872 5.749889 35.49034 
1 1 1   -2   30   26 o   78.544   30.045   12.533   8.5321   32.530   19.035   7.5056   9.5446   95.662   41.493   67.961   29.429 27.70129 50.86959 
1 1 1   -2   30   27 o   45.530   22.209  -8.1323   8.5358   2.4890   20.365 -10.3959   9.4015   68.230   33.495   45.941   22.594 22.28985 40.40349 
1 1 1   -2   30   28 o   59.333   26.516   4.3749   8.3358   9.9780   21.838   3.4193   9.0186   70.297   34.546   58.699   26.773 11.59811 43.70600 
1 1 1   -2   30   29 o   68.500   29.981   10.487   10.130   6.5550   22.707   11.464   11.319   66.566   33.151   69.545   31.003 -2.979362 45.38945 
1 1 1   -2   30   30 o   70.219   34.403   19.110   21.153   0.0000   0.0000   19.110   21.153  ?   ?    70.219   34.403 0.000000 34.40349 
1 1 1   -2   30   31 o   57.583   26.110   5.3692   8.4187  -6.9690   16.919   9.4294   9.7056   55.056   27.599   63.869   28.573 -8.813164 39.72551 
1 1 1   -2   30   32 o   59.065   26.521   7.0253   8.4429   1.9430   23.149   7.8051   9.0675   59.478   30.117   60.273   27.235 -0.7946587 40.60524 
1 1 1   -2   30   33 o   50.739   23.610   2.4621   7.5298   21.540   23.561   0.2919   7.9465   63.886   32.099   48.566   23.102 15.31961 39.54852 
1 1 1   -2   30   34 o   42.905   20.981  -4.1546   7.7583 -14.0400   18.511  -2.0481   8.5450   50.089   25.519   46.183   22.459 3.906574 33.99464 
1 1 1   -2   30   35 o   43.187   21.167  -3.3981   8.0300 -43.1100   23.520   1.8417   8.5433   46.114   23.784   48.809   23.416 -2.695026 33.37674 
1 1 1   -2   30   36 o   48.410   23.335   2.7964   8.7207   0.0000   0.0000   2.7964   8.7207  ?   ?    48.410   23.335 0.000000 23.33505 
1 1 1   -2   31    1 o   72.523   31.497   2.8087   10.997   28.674   16.072 -19.9620   15.080  124.174   42.012   59.967   29.310 64.20651 51.22609 
1 1 1   -2   31    2 o  161.197   27.524   39.482   11.080   26.425   14.753   56.374   16.780  120.773   40.251  183.534   36.580 -62.76185 54.39025 
1 1 1   -2   31    3 o  119.840   35.028   24.277   11.558   50.664   17.975   5.6775   15.092  167.326   41.640   83.945   36.670 83.38079 55.48483 
1 1 1   -2   31    4 o  118.826   33.408   23.442   10.712  -5.0319   14.780   54.948   15.547   70.969   33.042  183.723   33.918 -112.7536 47.35181 
1 1 1   -2   31    5 o  164.577   28.054   41.571   11.531   13.428   17.262   64.242   15.494   96.439   40.595  202.507   30.482 -106.0684 50.76502 
1 1 1   -2   31    6 o  104.801   33.968   18.426   10.535   12.735   15.168   23.729   14.642   93.529   38.607  113.850   40.036 -20.32048 55.61840 
1 1 1   -2   31    7 o  104.098   35.230   18.516   11.302  -4.7879   16.598   38.659   15.432   74.188   34.698  145.595   39.786 -71.40657 52.79077 
1 1 1   -2   31    8 o   60.154   28.415  -7.5512   11.627 -23.1600   22.102  -1.5793   13.671   71.247   34.960   71.385   32.712 -0.1378098 47.87735 
1 1 1   -2   31    9 o   97.908   40.089   16.156   16.191   0.0000   0.0000   16.156   16.191  ?   ?    97.908   40.089 0.000000 40.08940 
1 1 1   -2   31   10 o  197.554   45.510   77.620   22.809   0.0000   0.0000   77.620   22.809  ?   ?   197.554   45.510 0.000000 45.51006 
1 1 1   -2   31   11 o  153.076   37.545   42.537   14.774   26.460   24.394   51.850   18.567  108.998   47.124  160.643   43.534 -51.64466 64.15493 
1 1 1   -2   31   12 o   77.345   35.550   1.5355   16.313  -0.9446   26.209   3.1040   20.842   86.204   41.266   84.144   39.197 2.060287 56.91432 
1 1 1   -2   31   13 o   80.109   34.363   8.0785   12.776 -10.5205   16.548   35.520   20.101   66.816   32.192  121.272   46.181 -54.45612 56.29370 
1 1 1   -2   31   14 o   92.524   32.699   15.217   9.7790   5.0737   15.364   22.123   12.679   78.245   35.395  105.869   37.253 -27.62431 51.38634 
1 1 1   -2   31   15 o  113.115   33.125   23.496   10.328   36.794   15.452   12.760   13.884  130.846   40.997   86.271   36.366 44.57503 54.80155 
1 1 1   -2   31   16 o   63.243   28.407   1.4016   9.6960 -10.4833   13.276   14.989   14.195   58.693   28.414   88.653   37.032 -29.95991 46.67662 
1 1 1   -2   31   17 o   66.117   28.782   4.1315   9.2262 -16.4432   14.488   18.167   11.966   56.679   27.909   94.343   35.702 -37.66413 45.31576 
1 1 1   -2   31   18 o   64.375   28.849   2.6150   9.9395  -4.9096   14.514   9.2596   13.639   64.196   30.725   77.909   34.418 -13.71235 46.13666 
1 1 1   -2   31   19 o   55.380   25.656  -1.6396   8.7420 -11.3754   12.050   9.1770   12.702   53.898   26.313   76.263   33.469 -22.36526 42.57407 
1 1 1   -2   31   20 o   65.432   28.182   5.2153   8.6581   2.2595   12.239   8.1763   12.250   66.194   30.557   73.680   32.580 -7.485504 44.66789 
1 1 1   -2   31   21 o   70.752   27.467   8.4668   7.2064   4.9770   19.072   9.0480   7.7834   73.956   35.348   72.315   28.410 1.640434 45.34998 
1 1 1   -2   31   22 o   53.003   23.772   0.9100   6.7642 -13.1100   16.902   3.5836   7.3810   59.701   29.536   59.303   25.780 0.3979378 39.20463 
1 1 1   -2   31   23 o   56.448   25.024   2.4579   7.2718   6.5040   17.061   1.5596   8.0386   71.518   33.970   56.487   25.573 15.03070 42.51981 
1 1 1   -2   31   24 o   49.073   23.290  -3.4256   7.9880 -20.0100   18.234   0.5134   8.8862   56.575   28.400   55.976   25.909 0.5988579 38.44313 
1 1 1   -2   31   25 o   77.705   30.040   13.118   8.5922   28.630   20.046   9.6261   9.5101   85.225   39.259   69.736   29.773 15.48923 49.27167 
1 1 1   -2   31   26 f   52.255   24.320   0.1802   7.9946 -22.7400   20.713   4.1922   8.6661   56.047   28.392   59.010   26.648 -2.963005 38.93877 
1 1 1   -2   31   27 o   46.982   22.412  -2.7403   7.5890 -31.0200   22.041   1.0632   8.0832   53.683   27.394   52.716   24.508 0.9669151 36.75641 
1 1 1   -2   31   28 o   58.505   28.159   2.9600   12.585   0.0000   0.0000   2.9600   12.585  ?   ?    58.505   28.159 0.000000 28.15865 
1 1 1   -2   31   29 o   67.586   32.070   15.660   15.131   0.0000   0.0000   15.660   15.131  ?   ?    67.586   32.070 0.000000 32.07033 
1 1 1   -2   31   30 o   44.082   21.623  -5.6207   8.4324 -25.7800   18.059   0.0001   9.5358   48.280   24.650   50.886   24.496 -2.605606 34.75188 
1 1 1   -2   31   31 o   36.226   18.362 -18.6608   8.7523 -16.7400   21.087 -19.0606   9.6201   51.818   26.471   37.988   19.255 13.83027 32.73337 
1 1 1   -2   31   32 o   59.413   26.943   9.3093   8.9675   0.5730   23.641   10.778   9.6918   55.466   28.309   60.987   27.792 -5.520901 39.67168 
1 1 1   -2   31   33 o   40.061   20.006  -8.7742   8.5112 -14.0900   21.622  -7.7995   9.2587   50.038   25.654   42.021   20.966 8.017178 33.13171 
1 1 1   -2   31   34 o   35.126   17.843 -16.9218   8.5672 -51.7100   20.764  -9.7845   9.4051   41.878   21.628   40.222   20.219 1.655251 29.60729 
1 1 1   -2   31   35 o   58.930   27.077   13.893   9.4529   0.0000   0.0000   13.893   9.4529  ?   ?    58.930   27.077 0.000000 27.07667 
1 1 1   -2   32    1 o  137.972   41.035   37.428   15.747   46.420   22.975   29.460   21.626  137.365   49.927  113.860   46.443 23.50439 68.18896 
1 1 1   -2   32    2 o  154.454   39.010   44.452   15.611   44.920   21.125   43.890   23.172  138.812   48.130  132.700   49.798 6.112274 69.25521 
1 1 1   -2   32    3 o  158.764   39.112   47.019   15.980   19.100   23.180   72.300   22.058  100.836   44.692  187.568   45.798 -86.73162 63.99075 
1 1 1   -2   32    4 o  132.495   40.875   35.000   15.428   39.690   21.950   30.420   21.689  127.384   48.318  114.140   46.529 13.24487 67.07934 
1 1 1   -2   32    5 f  141.925   35.768   36.250   13.145   16.497   16.730   68.110   21.248   95.834   40.132  181.247   45.365 -85.41319 60.56838 
1 1 1   -2   32    6 o  104.601   37.764   21.008   13.112   19.716   16.647   23.120   21.281  100.167   40.790  103.710   44.415 -3.543472 60.30378 
1 1 1   -2   32    7 o  112.392   41.567   26.903   16.030   40.450   24.477   16.730   21.212  121.718   49.502   95.824   42.597 25.89431 65.30709 
1 1 1   -2   32    8 f  106.533   39.994   23.558   14.949   64.750   21.212 -17.0900   21.072  170.696   46.647   69.751   34.207 100.9447 57.84527 
1 1 1   -2   32    9 o  112.514   42.365   28.629   16.799   14.770   26.349   38.120   21.804   93.496   43.725  119.782   47.394 -26.28592 64.48313 
1 1 1   -2   32   10 o   87.342   36.064   13.458   13.242   10.705   16.442   18.540   22.339   84.820   37.614   94.767   42.791 -9.946976 56.97233 
1 1 1   -2   32   11 o   57.803   27.332  -5.2645   10.805 -19.6800   19.585   1.0430   12.955   64.684   31.963   69.043   31.714 -4.359619 45.02696 
1 1 1   -2   32   12 o   92.749   35.887   17.184   12.271 -20.5800   23.589   31.195   14.368   68.963   34.253  118.987   39.725 -50.02359 52.45334 
1 1 1   -2   32   13 o  110.037   32.447   22.823   9.8789   14.247   16.414   27.694   12.370   86.182   37.930  115.364   36.747 -29.18269 52.81120 
1 1 1   -2   32   14 f   54.000   25.320  -3.4338   8.9337 -19.2176   13.545   8.7182   11.885   52.586   26.091   75.927   32.860 -23.34118 41.95796 
1 1 1   -2   32   15 o   90.727   32.211   16.169   9.4995   23.691   14.880   10.993   12.342   98.468   39.091   78.866   33.801 19.60202 51.67801 
1 1 1   -2   32   16 o   97.338   33.047   19.380   9.9453   21.510   15.196   17.784   13.153   93.049   38.545   88.903   36.237 4.145378 52.90408 
1 1 1   -2   32   17 o   53.633   25.061  -2.2122   8.6242  -6.6864   12.270   2.1564   12.124   57.140   27.578   65.379   30.262 -8.238987 40.94322 
1 1 1   -2   32   18 o   60.075   26.846   2.7290   8.5425   18.459   14.147  -6.2989   10.717   86.802   36.655   53.867   25.941 32.93516 44.90554 
1 1 1   -2   32   19 o   51.313   24.569  -5.1477   9.3027  -0.9479   13.676  -8.7645   12.691   63.091   30.093   55.408   27.039 7.682865 40.45636 
1 1 1   -2   32   20 o   73.579   29.603   10.410   8.6495  -5.1525   11.989   27.303   12.491   56.377   27.222  104.027   36.936 -47.64951 45.88338 
1 1 1   -2   32   21 o   60.202   27.409   3.0423   9.3982 -22.6200   18.226   12.337   10.969   55.508   27.936   75.473   32.093 -19.96498 42.54824 
1 1 1   -2   32   22 o   37.751   18.911 -15.7604   7.8823  -2.4680   18.294 -18.7906   8.7346   63.743   31.382   38.505   19.373 25.23828 36.88043 
1 1 1   -2   32   23 o   66.951   28.120   8.6420   8.2537   4.6650   19.604   9.4989   9.0996   66.848   32.826   68.528   29.187 -1.679543 43.92564 
1 1 1   -2   32   24 o   56.157   24.986   3.8203   7.3145   25.830   20.237   0.5129   7.8449   77.800   36.967   51.900   24.134 25.89976 44.14722 
1 1 1   -2   32   25 o   47.706   22.578  -1.4422   7.4048 -24.7600   20.785   1.9475   7.9248   53.524   27.247   53.158   24.557 0.3661308 36.68002 
1 1 1   -2   32   26 o   68.205   30.688   13.076   11.371 -43.6100   22.442   32.656   13.190   49.581   25.465   95.515   37.137 -45.93453 45.02886 
1 1 1   -2   32   27 o   61.969   31.014   9.9570   20.964   0.0000   0.0000   9.9570   20.964  ?   ?    61.969   31.014 0.000000 31.01350 
1 1 1   -2   32   28 o   48.420   23.778  -3.4728   10.288 -13.6800   21.582  -0.4712   11.703   53.250   27.167   52.134   25.553 1.116234 37.29554 
1 1 1   -2   32   29 o   60.328   26.809   9.2866   8.3950   36.000   18.995   2.8024   9.3586   72.494   34.815   52.003   24.829 20.49071 42.76196 
1 1 1   -2   32   30 o   45.560   22.241  -2.2506   8.6083 -18.4200   19.801   1.5177   9.5589   48.986   25.073   50.000   24.182 -1.014328 34.83480 
1 1 1   -2   32   31 o   50.066   23.902   3.3089   8.6694   17.290   23.200   1.0398   9.3465   57.096   29.038   48.384   23.520 8.712414 37.36843 
1 1 1   -2   32   32 o   56.235   25.534   9.2112   8.0870  -7.9560   23.218   11.582   8.6273   49.777   25.583   59.205   26.676 -9.428200 36.96035 
1 1 1   -2   32   33 o   41.824   20.743  -3.3618   8.5304 -16.1900   18.416   0.1424   9.6253   44.904   23.062   45.426   22.440 -0.5227356 32.17792 
1 1 1   -2   33    1 o   64.893   31.150  -7.3370   15.164 -10.4200   21.962  -4.5280   20.963   72.486   35.416   74.805   36.089 -2.318932 50.56414 
1 1 1   -2   33    2 o   79.001   34.942   8.2389   14.098  -3.9080   19.354   21.970   20.578   73.313   35.191   96.724   42.521 -23.41122 55.19456 
1 1 1   -2   33    3 f  231.599   31.021   92.582   18.142   83.270   27.245  100.000   24.318  165.975   54.670  212.443   45.557 -46.46788 71.16367 
1 1 1   -2   33    4 o   93.210   36.385   17.525   12.700   1.5934   16.040   44.300   20.793   73.331   34.235  126.019   47.196 -52.68822 58.30505 
1 1 1   -2   33    5 o  105.685   36.783   23.311   12.344   21.524   15.902   26.020   19.581   97.369   39.784  100.720   42.855 -3.350937 58.47491 
1 1 1   -2   33    6 o  103.665   36.817   22.726   12.411   1.0618   15.553   60.710   20.594   71.611   33.523  154.493   47.151 -82.88278 57.85333 
1 1 1   -2   33    7 o  104.884   31.264   20.403   9.1327   20.718   13.850   20.160   12.148   96.680   37.924   97.787   36.182 -1.107483 52.41554 
1 1 1   -2   33    8 o   69.912   32.286   2.5432   13.681   2.5432   13.681   0.0000   0.0000   69.912   32.286  ?   ?  0.000000 32.28559 
1 1 1   -2   33    9 o   71.201   29.862   7.4216   9.2862 -11.9659   14.508   20.876   12.086   58.691   28.699   98.037   36.124 -39.34597 46.13671 
1 1 1   -2   33   10 o   94.243   31.712   17.333   9.1567   6.8023   12.817   28.311   13.086   72.949   32.721  111.447   37.908 -38.49797 50.07693 
1 1 1   -2   33   11 o   56.641   26.491  -2.0956   9.6743   0.3674   15.548  -3.6516   12.358   68.512   32.509   60.411   28.757 8.101063 43.40305 
1 1 1   -2   33   12 o   93.042   35.762   19.808   12.124   23.230   23.912   18.624   14.067   88.165   41.366   88.524   36.912 -0.3588181 55.44027 
1 1 1   -2   33   13 o  180.566   25.883   55.280   11.760   32.960   23.413   62.811   13.599   94.873   43.220  187.303   28.965 -92.43000 52.02851 
1 1 1   -2   33   14 o  189.463   21.593   57.009   10.408   56.969   15.444   57.041   14.087  161.487   37.621  170.352   33.116 -8.864151 50.11977 
1 1 1   -2   33   15 f   92.054   31.988   18.049   9.3337   19.466   13.222   16.640   13.178   87.749   36.113   83.169   35.263 4.580170 50.47429 
1 1 1   -2   33   16 o   80.529   30.691   13.503   8.8826   26.860   14.176   4.8691   11.397   97.807   38.368   65.625   29.996 32.18165 48.70230 
1 1 1   -2   33   17 o   89.838   32.180   18.044   9.5011   14.724   14.063   20.832   12.887   77.949   34.666   88.404   35.932 -10.45511 49.92850 
1 1 1   -2   33   18 o   56.789   26.075   1.6191   8.7463   0.3622   12.081   3.0033   12.678   60.206   28.594   63.394   29.862 -3.188225 41.34443 
1 1 1   -2   33   19 o   43.983   21.314  -6.3437   7.5166  -2.6355   10.287 -10.5911   11.010   54.027   25.860   49.006   24.169 5.020180 35.39582 
1 1 1   -2   33   20 o   42.115   20.820 -10.7990   8.3411  -3.8984   11.675 -17.9940   11.921   54.516   26.452   46.046   23.094 8.469616 35.11415 
1 1 1   -2   33   21 o   61.407   28.201   5.5097   10.238  -3.3610   19.416   8.9261   12.049   61.194   30.505   66.246   30.487 -5.051609 43.12732 
1 1 1   -2   33   22 o   54.985   24.747   3.5556   7.4002   5.3620   19.648   3.2570   7.9885   63.772   31.603   55.244   25.198 8.528152 40.41856 
1 1 1   -2   33   23 o   48.106   22.893  -1.3218   7.8187  -8.3820   20.319  -0.0947   8.4710   57.006   28.789   50.682   24.034 6.323879 37.50220 
1 1 1   -2   33   24 o   43.567   21.525  -7.8974   8.8695 -20.4100   20.841  -5.1300   9.8014   52.532   26.791   47.395   23.261 5.136757 35.48002 
1 1 1   -2   33   25 o   55.395   27.184   2.3509   13.374   0.0000   0.0000   2.3509   13.374  ?   ?    55.395   27.184 0.000000 27.18417 
1 1 1   -2   33   26 o   52.070   25.839  -1.1480   13.308 -17.7600   22.886   7.3390   16.358   51.955   26.621   57.705   28.638 -5.749783 39.09986 
1 1 1   -2   33   27 o   40.351   20.093  -8.5113   8.3319 -46.8800   21.417  -1.6691   9.0443   44.857   23.115   46.778   22.828 -1.921799 32.48732 
1 1 1   -2   33   28 o   38.601   19.067  -6.1542   6.9439   28.450   20.292 -10.7438   7.3901   62.750   31.265   36.325   18.213 26.42465 36.18333 
1 1 1   -2   33   29 o   50.288   23.633   4.4044   7.8584 -18.2600   18.520   9.3808   8.6783   46.524   23.845   56.779   26.035 -10.25479 35.30461 
1 1 1   -2   33   30 o   46.671   22.529   1.9319   8.1975  -6.6420   22.137   3.2944   8.8249   49.141   25.241   48.400   23.367 0.7404785 34.39619 
1 1 1   -2   33   31 o   37.572   18.849  -8.1281   7.9693   18.680   23.130 -11.7390   8.4890   52.407   26.845   36.510   18.458 15.89704 32.57881 
1 1 1   -2   33   32 o   36.636   18.334  -6.4993   7.3191   19.560   22.009  -9.7395   7.7608   50.561   25.920   35.483   17.904 15.07858 31.50222 
1 1 1   -2   34    1 o   85.859   32.005   14.817   9.5404   6.2211   13.210   24.188   13.793   71.506   32.532   98.947   38.115 -27.44176 50.11069 
1 1 1   -2   34    2 o   70.646   30.247   7.6025   9.8653  -2.0355   14.796   15.317   13.237   65.108   31.123   83.912   35.447 -18.80434 47.17133 
1 1 1   -2   34    3 f  144.952   26.491   35.900   9.5799   47.040   13.707   25.262   13.394  151.702   35.510  101.540   37.908 50.16187 51.94226 
1 1 1   -2   34    4 o  175.631   24.291   50.698   10.755   50.224   16.426   51.053   14.229  142.976   41.748  157.876   35.640 -14.89992 54.89161 
1 1 1   -2   34    5 o   87.216   37.195   18.734   14.812   18.734   14.812   0.0000   0.0000   87.216   37.195  ?   ?  0.000000 37.19495 
1 1 1   -2   34    6 o  190.523   21.024   56.874   10.203   54.445   14.819   59.063   14.068  160.847   36.415  176.067   32.026 -15.22014 48.49448 
1 1 1   -2   34    7 o  101.438   32.732   21.635   9.7903   16.036   14.545   26.272   13.238   82.555   36.034  101.923   37.758 -19.36708 52.19300 
1 1 1   -2   34    8 o   71.027   29.679   8.8042   9.1221   3.9837   12.637   14.049   13.182   66.709   30.884   79.727   34.555 -13.01827 46.34489 
1 1 1   -2   34    9 o   53.307   24.741  -0.9347   8.1846   3.5491   12.623  -4.1869   10.751   65.818   30.608   55.221   26.433 10.59707 40.44185 
1 1 1   -2   34   10 f   87.688   32.465   17.036   9.7833   8.2219   14.175   25.053   13.520   71.422   32.941   96.261   37.551 -24.83846 49.95146 
1 1 1   -2   34   11 o   71.609   30.314   9.7284   9.7145  -1.7541   14.880   18.257   12.825   62.675   30.278   84.558   35.250 -21.88333 46.46854 
1 1 1   -2   34   12 o   67.902   29.307   7.9656   9.4025 -11.0384   15.218   19.700   11.958   56.752   28.068   87.702   34.972 -30.95006 44.84278 
1 1 1   -2   34   13 f   51.637   24.897  -5.0844   9.9424 -17.3300   18.346   0.0077   11.830   57.307   28.729   59.616   28.308 -2.308937 40.33245 
1 1 1   -2   34   14 o   81.079   32.115   15.536   10.022   11.360   20.020   16.933   11.576   72.402   35.012   81.456   33.684 -9.054291 48.58466 
1 1 1   -2   34   15 o   52.770   24.964  -1.4469   9.0341  -2.8904   12.987  -0.0935   12.575   57.631   27.948   59.390   28.470 -1.759697 39.89571 
1 1 1   -2   34   16 f   43.066   21.101  -8.2991   7.9618  -2.4089   10.288 -17.0932   12.571   53.580   25.703   47.712   23.898 5.868633 35.09653 
1 1 1   -2   34   17 o   47.813   22.913  -3.4568   8.1293  -2.5285   11.695  -4.3248   11.308   55.003   26.637   53.012   25.793 1.990833 37.07893 
1 1 1   -2   34   18 o   80.108   30.849   16.083   9.0337   17.680   13.100   14.634   12.474   75.679   33.567   72.270   32.358 3.408661 46.62340 
1 1 1   -2   34   19 o   47.637   22.979  -3.4414   8.4923  -2.2443   12.355  -4.5135   11.692   54.498   26.614   52.063   25.522 2.434669 36.87382 
1 1 1   -2   34   20 o   50.159   23.488   0.7491   7.6453   4.3572   10.372  -3.5436   11.313   57.507   27.065   51.442   25.194 6.065216 36.97635 
1 1 1   -2   34   21 f   46.313   22.081  -1.3561   7.3464   4.6787   9.7628  -9.2339   11.154   56.394   26.451   46.688   23.249 9.706146 35.21576 
1 1 1   -2   34   22 o   56.484   26.805   5.4671   10.576   32.460   20.945  -3.7704   12.253   70.307   34.401   50.526   25.024 19.78083 42.53989 
1 1 1   -2   34   23 o   56.181   27.419   5.7637   13.059   0.0000   0.0000   5.7637   13.059  ?   ?    56.181   27.419 0.000000 27.41913 
1 1 1   -2   34   24 o   45.813   23.000  -8.7269   11.969 -12.9800   22.542  -7.0570   14.124   51.526   26.402   48.673   24.508 2.852818 36.02363 
1 1 1   -2   34   25 o   40.264   19.961  -6.5205   7.8670   28.000   22.243 -11.4562   8.4107   61.034   30.735   38.149   19.169 22.88528 36.22270 
1 1 1   -2   34   26 o   42.981   21.224  -3.8544   8.5823 -23.7600   22.416  -0.4352   9.2902   47.457   24.415   46.514   22.791 0.9430084 33.39983 
1 1 1   -2   34   27 o   43.498   21.453  -2.4994   8.6792   1.4440   21.666  -3.2532   9.4725   50.991   26.109   43.915   21.794 7.075699 34.00986 
1 1 1   -2   34   28 o   63.757   27.551   15.126   8.3293   6.0970   18.474   17.430   9.3316   50.543   25.725   64.603   28.508 -14.05925 38.39896 
1 1 1   -2   34   29 o   64.622   28.565   19.054   9.4084   3.6940   20.462   23.172   10.595   48.484   24.864   66.464   29.785 -17.97981 38.79945 
1 1 1   -2   34   30 o   40.470   20.300  -4.0107   9.2301 -12.4400   22.548  -2.3139   10.117   44.486   22.957   42.180   21.171 2.305923 31.22919 
1 1 1   -2   34   31 o   38.051   19.611 -25.6075   15.490 -77.0900   24.753   7.5290   19.858   37.661   19.570   45.656   23.464 -7.995354 30.55381 
1 1 1   -2   35    1 o   96.198   31.280   19.922   8.9299   17.498   12.508   22.442   12.754   82.515   34.635   90.837   36.150 -8.321861 50.06375 
1 1 1   -2   35    2 o   90.630   31.747   18.293   9.2029   4.7219   12.793   32.846   13.248   65.492   30.575  110.661   38.129 -45.16968 48.87412 
1 1 1   -2   35    3 o   74.546   30.844   11.798   9.7145  -5.4121   13.361   31.101   14.150   57.325   27.924  102.962   38.857 -45.63669 47.84974 
1 1 1   -2   35    4 f  131.903   29.209   33.557   9.7165   43.461   14.678   25.832   12.963  126.461   40.003   96.137   36.972 30.32401 54.47197 
1 1 1   -2   35    5 o  154.863   25.899   42.812   10.022   45.363   14.538   40.501   13.836  131.146   39.525  124.067   38.780 7.078697 55.37251 
1 1 1   -2   35    6 o   56.836   26.490   0.8872   9.5385  -6.9932   14.176   7.4065   12.894   56.908   27.939   67.624   31.269 -10.71612 41.93248 
1 1 1   -2   35    7 o   81.925   31.185   15.358   9.1637   13.646   13.801   16.708   12.255   74.487   33.634   79.841   33.936 -5.353958 47.77940 
1 1 1   -2   35    8 o  164.637   22.111   45.350   9.1912   41.391   12.649   49.778   13.378  131.735   36.030  147.748   35.416 -16.01331 50.52207 
1 1 1   -2   35    9 o   58.101   26.599   2.9887   9.0086  -5.9610   13.525   10.125   12.077   55.953   27.434   69.519   31.420 -13.56594 41.71157 
1 1 1   -2   35   10 o   77.018   30.703   13.868   9.2144   12.189   13.074   15.525   12.988   71.416   32.443   75.716   33.511 -4.299850 46.64225 
1 1 1   -2   35   11 o   49.293   23.271  -1.6323   7.7766   3.8693   10.754  -7.6622   11.259   60.389   28.139   50.700   24.893 9.688721 37.56952 
1 1 1   -2   35   12 o   87.286   29.796   17.251   8.0849   18.473   11.786   16.165   11.111   80.096   33.620   77.236   32.543 2.859604 46.79101 
1 1 1   -2   35   13 o   61.626   27.374   6.5979   8.7431   4.6475   11.891   8.8934   12.900   60.985   28.786   65.654   30.668 -4.668907 42.06149 
1 1 1   -2   35   14 o   94.290   34.771   25.921   11.201   27.620   20.656   25.214   13.331   76.016   36.453   85.309   35.779 -9.292847 51.07832 
1 1 1   -2   35   15 o   48.813   23.851  -5.0511   9.9627   0.3692   20.932  -6.6386   11.328   60.990   30.591   49.869   24.579 11.12132 39.24192 
1 1 1   -2   35   16 o   52.685   25.489  -0.8812   10.641  -7.6270   21.845   1.2174   12.184   57.631   29.190   55.939   27.114 1.692005 39.84042 
1 1 1   -2   35   17 o   43.000   21.111  -6.4646   8.0943 -19.2663   11.191   7.5796   11.721   41.794   21.137   60.379   28.524 -18.58540 35.50251 
1 1 1   -2   35   18 o   49.235   23.146   1.1158   7.5490   8.3557   10.948  -5.4460   10.423   59.986   28.096   47.481   23.435 12.50536 36.58642 
1 1 1   -2   35   19 o   52.545   24.622   3.5571   8.4261   0.9317   12.371   5.8289   11.508   53.029   26.048   56.385   27.084 -3.356438 37.57699 
1 1 1   -2   35   20 o   51.964   24.499   3.7114   8.5669  -0.5228   12.617   7.3332   11.669   51.286   25.399   56.557   27.194 -5.271160 37.21067 
1 1 1   -2   35   21 o   59.325   28.493   12.435   12.727   0.0000   0.0000   12.435   12.727  ?   ?    59.325   28.493 0.000000 28.49266 
1 1 1   -2   35   22 o   51.872   26.474  -1.6660   20.663  -1.6660   20.663   0.0000   0.0000   51.872   26.474  ?   ?  0.000000 26.47438 
1 1 1   -2   35   23 o   47.260   22.989   1.2192   8.9660   27.530   21.340  -4.4212   9.8804   58.893   29.713   44.018   21.913 14.87466 36.91967 
1 1 1   -2   35   24 o   50.490   24.290   5.4084   9.3408 -39.8700   21.700   15.707   10.349   43.470   22.437   61.008   28.140 -17.53767 35.99028 
1 1 1   -2   35   25 o   44.299   21.939  -1.2234   9.4128   35.540   22.389  -9.1169   10.374   57.480   29.161   40.851   20.623 16.62877 35.71667 
1 1 1   -2   35   26 o   40.684   20.381  -5.3236   9.1555  -1.5300   22.494  -6.0768   10.023   47.826   24.598   41.267   20.762 6.559769 32.18847 
1 1 1   -2   35   27 o   38.820   19.491  -6.0550   8.6082   5.6590   20.973  -8.4281   9.4399   47.649   24.478   38.648   19.530 9.001026 31.31446 
1 1 1   -2   35   28 o   44.929   21.778   4.2475   7.8615   3.5410   19.241   4.3891   8.6132   45.661   23.456   45.156   22.088 0.5042038 32.21883 
1 1 1   -2   35   29 o   38.592   19.288  -2.3271   7.9824   7.5900   20.920  -4.0171   8.6358   44.731   23.041   38.232   19.240 6.499092 30.01771 
1 1 1   -2   36    1 o   67.286   28.476   9.6239   8.5680   15.296   13.098   5.3811   11.328   73.252   32.949   61.677   28.787 11.57443 43.75289 
1 1 1   -2   36    2 o   94.322   31.109   20.970   8.8206   32.859   12.275   8.2743   12.684  106.977   36.710   65.221   30.447 41.75574 47.69359 
1 1 1   -2   36    3 o   50.364   23.745  -0.7590   8.0482   7.4503   12.207  -7.0708   10.704   64.103   29.907   49.497   24.296 14.60617 38.53166 
1 1 1   -2   36    4 o   52.827   24.801   0.5073   8.6170   13.387   13.612  -8.1055   11.131   70.178   32.336   49.416   24.358 20.76193 40.48379 
1 1 1   -2   36    5 o   52.315   24.529   0.5131   8.3839  -0.8083   11.512   2.0052   12.234   55.356   26.716   58.494   28.052 -3.138588 38.73771 
1 1 1   -2   36    6 o   89.162   30.390   18.931   8.4108   9.2817   12.322   27.350   11.509   65.334   30.336   96.385   35.291 -31.05034 46.53696 
1 1 1   -2   36    7 o   66.644   28.347   9.9069   8.5618   23.915   12.532  -2.3526   11.724   84.978   35.086   53.904   26.236 31.07434 43.81062 
1 1 1   -2   36    8 o   88.345   30.848   19.449   8.6857   16.363   11.601   23.387   13.103   73.991   32.241   81.857   34.948 -7.866425 47.54840 
1 1 1   -2   36    9 o   66.875   28.563   10.555   8.7585   9.3049   12.680   11.695   12.112   63.986   30.054   66.684   30.643 -2.697651 42.92146 
1 1 1   -2   36   10 o   53.424   24.718   2.6660   8.0761   0.5663   11.743   4.5503   11.124   55.148   26.704   58.258   27.602 -3.110489 38.40499 
1 1 1   -2   36   11 o   50.541   23.539   1.4111   7.5099  -8.7609   9.6798   16.791   11.903   44.837   22.213   71.844   31.925 -27.00766 38.89191 
1 1 1   -2   36   12 o   49.649   23.622   0.0155   8.3164  -2.7207   12.077   2.4831   11.469   52.049   25.600   55.435   26.731 -3.386040 37.01267 
1 1 1   -2   36   13 o   66.603   28.582   11.970   8.8449   0.0337   12.832   22.775   12.208   53.932   26.499   77.613   33.446 -23.68136 42.67129 
1 1 1   -2   36   14 o   54.168   25.170   4.4783   8.5097   3.3122   11.817   5.7343   12.264   54.894   26.630   57.009   27.528 -2.114872 38.30099 
1 1 1   -2   36   15 o   72.114   29.229   15.444   8.5004  -1.7126   11.972   32.887   12.071   50.646   25.019   92.423   35.641 -41.77734 43.54602 
1 1 1   -2   36   16 o   62.072   28.107   11.842   9.7170   33.260   20.968   5.9836   10.966   66.585   32.934   55.030   26.435 11.55481 42.23074 
1 1 1   -2   36   17 o   56.350   26.484   8.2626   9.8734  -1.3880   20.129   11.320   11.330   52.838   26.889   58.953   27.909 -6.115753 38.75513 
1 1 1   -2   36   18 o   44.990   22.142  -2.5249   9.0821 -40.5500   16.038   15.426   11.019   39.987   20.577   62.438   28.883 -22.45143 35.46339 
1 1 1   -2   36   19 o   44.794   22.676  -9.5300   13.066   0.0000   0.0000  -9.5300   13.066  ?   ?    44.794   22.676 0.000000 22.67568 
1 1 1   -2   36   20 o   45.975   23.055  -3.0834   11.858  -3.0834   11.858   0.0000   0.0000   45.975   23.055  ?   ?  0.000000 23.05476 
1 1 1   -2   36   21 o   48.529   23.317   4.3440   8.5416   24.656   12.775 -12.0799   11.487   64.356   30.208   40.980   20.800 23.37696 36.67645 
1 1 1   -2   36   22 o   47.806   23.575   3.8021   10.468   11.860   19.672   0.6186   12.365   51.030   26.025   46.596   23.390 4.433937 34.99150 
1 1 1   -2   36   23 o   39.948   19.856  -3.6288   7.9839   12.140   20.910  -6.3200   8.6383   49.835   25.528   39.117   19.624 10.71798 32.19903 
1 1 1   -2   36   24 o   42.582   20.913   0.6359   7.9650  -2.3540   22.003   1.0867   8.5444   46.020   23.701   43.365   21.368 2.654148 31.91171 
1 1 1   -2   36   25 o   51.434   24.210   10.449   8.3054   38.740   22.678   6.0670   8.9255   51.975   26.621   46.547   22.707 5.427814 34.98961 
1 1 1   -2   36   26 o   56.791   26.365   17.936   9.3017   49.530   23.386   11.998   10.138   51.680   26.509   49.340   24.098 2.339722 35.82479 
1 1 1   -2   36   27 o   43.102   21.376   4.9569   9.0520   13.530   21.249   3.0563   10.005   44.326   22.851   42.005   21.080 2.321011 31.08887 
1 1 1   -2   37    1 o   66.728   28.360   11.595   8.5573   10.477   11.850   12.814   12.370   62.781   29.349   65.055   30.269 -2.273834 42.16122 
1 1 1   -2   37    2 o   56.552   25.892   5.5365   8.5390  -1.3302   12.404   11.722   11.773   52.935   26.018   64.073   29.715 -11.13769 39.49588 
1 1 1   -2   37    3 o   56.030   25.650   5.3093   8.3771   24.065   13.095  -7.6820   10.899   77.444   33.986   46.944   23.311 30.49985 41.21201 
1 1 1   -2   37    4 o  102.540   30.764   26.382   8.8218   16.461   12.520   36.165   12.432   68.404   31.331  101.715   36.764 -33.31056 48.30351 
1 1 1   -2   37    5 f   63.944   27.435   10.286   8.1461   20.170   11.864   1.4679   11.205   73.986   32.411   53.479   25.941 20.50701 41.51389 
1 1 1   -2   37    6 o   51.660   24.339   2.4097   8.4295   5.0119   12.718   0.3706   11.258   56.778   27.563   52.388   25.544 4.390484 37.57907 
1 1 1   -2   37    7 o   87.257   31.139   21.848   8.8887   27.178   12.717   16.757   12.429   80.793   34.460   67.390   30.995 13.40274 46.34853 
1 1 1   -2   37    8 o   58.119   25.964   7.6113   7.9835  -3.6798   10.680   21.911   12.019   48.214   23.783   74.088   32.535 -25.87354 40.30085 
1 1 1   -2   37    9 o   89.688   29.714   21.461   8.0444   20.253   11.849   22.493   10.956   71.222   31.738   77.321   32.433 -6.098824 45.37825 
1 1 1   -2   37   10 o   82.006   30.519   20.446   8.6680   23.999   12.794   17.432   11.785   72.804   32.671   66.701   30.494 6.103020 44.69057 
1 1 1   -2   37   11 o   39.205   19.564  -9.1461   8.0760 -13.0641   11.141  -4.8081   11.723   42.487   21.440   47.406   23.643 -4.918396 31.91659 
1 1 1   -2   37   12 f   46.774   22.614   0.1180   8.3401   7.9049   11.839  -7.5535   11.751   55.356   26.807   45.482   22.827 9.874748 35.20892 
1 1 1   -2   37   13 o   43.699   21.396  -2.4369   8.1423  -5.1700   12.636  -0.4964   10.648   46.942   23.575   47.974   23.680 -1.031647 33.41461 
1 1 1   -2   37   14 o   52.109   24.597   6.0374   8.6840  -4.4697   12.960   14.598   11.698   46.904   23.599   59.437   28.202 -12.53308 36.77354 
1 1 1   -2   37   15 f   33.002   16.805 -18.1458   7.9493 -25.0300   12.286 -13.1884   10.426   38.236   19.585   39.778   20.150 -1.542030 28.09916 
1 1 1   -2   37   16 o   49.733   24.895   4.0540   13.545   0.0000   0.0000   4.0540   13.545  ?   ?    49.733   24.895 0.000000 24.89543 
1 1 1   -2   37   17 o   42.116   21.647 -23.2100   16.650 -23.2100   16.650   0.0000   0.0000   42.116   21.647  ?   ?  0.000000 21.64670 
1 1 1   -2   37   18 o   41.592   21.197 -11.8834   12.868 -21.9900   16.827   2.3500   19.969   41.938   21.553   48.270   24.742 -6.332798 32.81280 
1 1 1   -2   37   19 o   42.981   21.152   0.1666   8.2816  -6.9647   12.486   5.7687   11.066   42.467   21.568   48.048   23.794 -5.580692 32.11433 
1 1 1   -2   37   20 o   50.153   23.702   8.1801   8.1063   10.405   11.812   6.2000   11.145   49.981   24.721   47.534   23.598 2.446960 34.17616 
1 1 1   -2   37   21 o   43.824   21.195   3.0862   7.3438  -8.1674   9.9398   16.613   10.898   38.671   19.598   54.375   26.179 -15.70333 32.70218 
1 1 1   -2   37   22 o   82.845   30.245   28.150   8.4446   32.196   11.487   23.392   12.457   67.506   30.565   55.630   27.068 11.87631 40.82755 
1 1 1   -2   37   23 o   59.457   28.094   26.905   11.381   11.600   21.170   33.127   13.498   45.131   23.244   58.425   28.370 -13.29344 36.67588 
1 1 1   -2   37   24 o   39.970   20.101   0.0046   9.3443 -39.6900   21.818   8.9207   10.341   37.919   19.676   45.148   22.466 -7.228527 29.86445 
1 1 1   -2   37   25 o   37.977   19.201  -1.7993   9.1913   1.4790   22.205  -2.4771   10.097   41.097   21.282   38.173   19.388 2.924038 28.78954 
1 1 1   -2   38    1 o   62.168   27.364   12.210   8.5451  -7.4711   11.216   39.437   13.192   44.647   22.393   90.164   36.459 -45.51684 42.78704 
1 1 1   -2   38    2 o   49.498   23.425   3.3145   7.9683  -6.8268   11.146   13.917   11.396   44.839   22.466   60.475   28.433 -15.63613 36.23724 
1 1 1   -2   38    3 o   60.454   26.693   11.058   8.1940   17.083   12.190   6.0911   11.067   62.533   29.402   53.166   25.787 9.367947 39.10830 
1 1 1   -2   38    4 o   61.068   27.010   11.792   8.4236   7.6558   11.426   16.715   12.467   54.203   26.269   61.479   29.155 -7.275654 39.24374 
1 1 1   -2   38    5 o   65.918   28.492   15.422   8.9127   8.1503   12.686   22.510   12.524   54.129   26.545   66.850   30.878 -12.72104 40.71984 
1 1 1   -2   38    6 o   67.380   27.948   14.993   8.0042   13.954   12.490   15.716   10.426   58.126   27.996   62.468   28.604 -4.341656 40.02444 
1 1 1   -2   38    7 o   64.197   27.439   13.849   8.0930   14.528   11.568   13.199   11.326   58.951   27.993   57.911   27.557 1.040081 39.28059 
1 1 1   -2   38    8 f   39.523   19.675  -6.3106   7.9600 -13.9812   10.775   2.9053   11.811   39.908   20.244   49.414   24.490 -9.506302 31.77428 
1 1 1   -2   38    9 o   53.971   25.256   8.7496   8.8132   8.9171   12.857   8.6011   12.104   52.673   26.004   52.619   25.830 0.5439758E-01 36.65191 
1 1 1   -2   38   10 o   55.139   26.038   10.905   9.7491   7.1480   16.666   12.859   12.020   50.902   25.750   55.110   26.763 -4.207821 37.13905 
1 1 1   -2   38   11 f   51.146   24.604   7.5301   9.5790  -2.3880   15.282   13.948   12.294   46.790   23.774   54.976   26.781 -8.185688 35.81076 
1 1 1   -2   38   12 o   48.258   23.638   4.8872   9.9675  -3.8930   13.956   14.030   14.241   45.186   22.934   52.984   26.365 -7.797482 34.94437 
1 1 1   -2   38   13 o   43.511   21.822  -2.1669   10.644 -22.1900   17.315   9.9940   13.494   41.850   21.527   50.411   25.177 -8.560596 33.12528 
1 1 1   -2   38   14 o   58.125   29.090   37.920   18.448   37.920   18.448   0.0000   0.0000   58.125   29.090  ?   ?  0.000000 29.09030 
1 1 1   -2   38   15 o   51.186   24.819   11.091   10.232   8.5946   11.940   17.990   19.848   48.603   24.178   49.799   25.459 -1.196762 35.11061 
1 1 1   -2   38   16 o   46.664   22.498   5.7955   8.1155   19.479   10.635 -13.2762   12.556   57.604   27.200   39.277   20.093 18.32740 33.81726 
1 1 1   -2   38   17 o   41.326   20.448   0.3137   8.1119   3.2127   11.026  -3.1065   11.977   44.353   22.240   41.854   21.243 2.499329 30.75523 
1 1 1   -2   38   18 o   42.306   21.238   0.9490   10.204   7.2910   19.632  -1.3986   11.944   45.175   23.220   41.922   21.271 3.252693 31.49040 
1 1 1   -2   38   19 o   39.409   19.973  -3.9601   10.329  -7.6110   18.520  -2.3119   12.444   41.648   21.464   41.127   20.950 0.5204735 29.99326 
1 1 1   -2   38   20 o   39.854   20.154  -1.2395   10.163  -9.8810   17.982   2.8163   12.319   40.361   20.816   42.145   21.407 -1.784641 29.85874 
1 1 1   -2   38   21 o   35.716   18.073  -5.4127   8.2489   11.374   12.461 -18.5058   11.005   44.514   22.488   34.024   17.486 10.48980 28.48610 
1 1 1   -2   38   22 o   35.081   17.759  -4.9077   8.0192 -21.3521   11.936   8.6203   10.826   33.638   17.331   42.694   21.492 -9.055130 27.60921 
1 1 1   -2   38   23 o   34.626   17.685  -7.1081   9.3739 -23.0700   19.613  -2.3827   10.672   36.444   18.904   37.066   18.927 -0.6224556 26.75024 
1 1 1   -2   39    1 o   54.607   25.778   12.353   9.5403   19.900   17.421   9.1198   11.402   52.887   26.703   50.414   24.811 2.473297 36.45015 
1 1 1   -2   39    2 o   73.144   31.246   27.907   10.485   20.250   18.132   31.753   12.852   52.535   26.608   67.466   31.204 -14.93101 41.00768 
1 1 1   -2   39    3 o   44.505   22.357  -0.6182   11.400   3.5550   15.660  -5.3220   16.626   47.327   24.048   44.983   23.021 2.344372 33.29100 
1 1 1   -2   39    4 o   46.069   22.947   2.9315   10.899  -5.5340   14.948   12.540   15.925   44.125   22.520   50.238   25.385 -6.112724 33.93449 
1 1 1   -2   39    5 o   50.740   24.954   10.738   11.467   8.2890   17.504   12.580   15.177   48.324   24.637   50.183   25.286 -1.859062 35.30344 
1 1 1   -2   39    6 o   47.656   23.832   6.4804   12.272 -21.1900   17.025   36.400   17.704   41.115   21.159   57.743   28.839 -16.62787 35.76847 
1 1 1   -2   39    7 o   42.381   21.249  -1.5864   10.055   7.0496   12.482 -17.5500   16.971   47.581   23.830   41.537   21.363 6.044319 32.00413 
1 1 1   -2   39    8 o   42.736   21.709  -3.5256   12.696 -16.3600   19.236   6.3790   16.899   42.440   21.872   46.722   23.854 -4.281548 32.36322 
1 1 1   -2   39    9 o   44.144   22.328   1.1735   12.506   23.960   18.664 -17.3900   16.846   50.673   25.798   40.914   21.055 9.759296 33.29959 
1 1 1   -2   39   10 o   47.353   23.664   8.9769   12.004   14.250   16.853   3.5470   17.102   48.008   24.448   45.102   23.102 2.906189 33.63628 
1 1 1   -2   39   11 o   41.948   21.055   0.0459   10.002   2.7546   11.763  -7.0260   19.007   43.848   22.114   42.804   22.044 1.043980 31.22481 
1 1 1   -2   39   12 o   52.113   24.915   14.231   9.4890   16.768   10.761   5.3630   20.118   52.360   25.403   44.579   22.945 7.781326 34.23141 
1 1 1   -2   39   13 o   36.503   18.436  -6.2895   8.3432 -13.0970   11.957   0.1702   11.647   37.489   19.211   41.827   21.200 -4.338482 28.60916 
1 1 1   -2   39   14 o   42.418   20.996   3.5949   8.5817 -11.1096   12.682   16.016   11.656   38.209   19.594   49.207   24.377 -10.99781 31.27542 
1 1 1   -2   39   15 o   40.126   20.118   0.6124   9.0112  -4.9146   12.745   6.1380   12.743   39.554   20.236   43.237   21.942 -3.682362 29.84851 
1 1 1   -2   39   16 o   40.286   20.206   1.7215   9.1315   11.269   12.860  -7.9880   12.969   44.495   22.521   38.296   19.650 6.199062 29.88906 
1 1 1   -2   39   17 o   42.009   20.848   5.5473   8.6714   7.0007   11.569   3.6835   13.100   42.285   21.398   41.010   20.943 1.275299 29.94111 
1 1 1   -2   39   18 o   43.874   21.546   8.9887   8.4496  -2.9655   11.324   24.004   12.692   37.811   19.322   48.287   24.161 -10.47631 30.93690 
1 1 1   -2   39   19 o   37.215   18.791   0.0448   8.6346  -7.5644   12.998   6.0547   11.552   36.528   18.783   40.174   20.437 -3.645809 27.75733 
1 1 1   -2   39   20 o   35.074   17.987  -6.2427   10.703 -20.1700   20.852  -1.2606   12.471   36.180   18.784   37.070   19.037 -0.8898087 26.74395 
1 1 1   -2   39   21 o   34.444   17.676  -5.4171   10.534  -4.9800   20.199  -5.5804   12.346   36.555   18.968   35.123   18.073 1.432785 26.19915 
1 1 1   -2   40    1 o   36.362   18.432  -7.1565   8.8247 -18.1300   12.748   2.9402   12.228   36.527   18.772   42.621   21.615 -6.094040 28.62811 
1 1 1   -2   40    2 o   44.889   22.279   7.3639   9.9047   15.130   17.300   3.5770   12.081   45.718   23.403   42.791   21.678 2.926308 31.90057 
1 1 1   -2   40    3 o   48.038   24.150   17.115   13.428   10.250   18.777   24.300   19.209   44.274   22.755   47.056   24.129 -2.781666 33.16602 
1 1 1   -2   40    4 o   39.924   20.400  -4.2815   12.596   3.8930   18.294 -11.6500   17.369   42.918   22.079   40.004   20.624 2.914120 30.21357 
1 1 1   -2   40    5 o   42.548   21.578   4.0497   12.186   4.5200   19.282   3.7370   15.725   42.847   22.073   42.603   21.845 0.2443390 31.05517 
1 1 1   -2   40    6 o   41.778   21.021   3.1610   10.293  -7.7410   12.611   24.920   17.816   38.586   19.770   47.096   24.081 -8.509827 31.15653 
1 1 1   -2   40    7 o   43.348   21.555   6.2791   9.4501   5.3622   10.906   9.0420   18.933   42.653   21.484   43.130   22.202 -0.4774132 30.89494 
1 1 1   -2   40    8 o   42.030   20.737   4.5777   8.1371   17.734   11.275  -9.7231   11.755   49.013   24.226   37.123   19.025 11.88974 30.80295 
1 1 1   -2   40    9 o   37.968   19.110  -1.3949   8.5407  -4.2904   12.320   1.2843   11.851   38.761   19.835   40.438   20.584 -1.677254 28.58592 
1 1 1   -2   40   10 o   31.588   16.191 -15.7254   8.5517   1.8738   12.482 -31.2922   11.740   40.395   20.613   31.740   16.387 8.655766 26.33347 
1 1 1   -2   40   11 o   46.834   22.893   13.008   9.2089   3.6103   12.845   22.946   13.209   40.587   20.728   47.730   23.989 -7.142677 31.70343 
1 1 1   -2   40   12 o   36.644   18.501  -1.9358   8.3590  -3.6243   11.286   0.1160   12.441   37.526   19.186   39.031   19.970 -1.504784 27.69297 
1 1 1   -2   40   13 o   37.500   18.854   0.5289   8.1920   0.9470   10.932  -0.0066   12.372   38.521   19.624   38.494   19.712 0.2709579E-01 27.81491 
1 1 1   -2   40   14 o   48.019   23.220   16.131   8.8042  -6.1289   13.119   34.372   11.876   36.636   18.840   54.365   26.447 -17.72847 32.47151 
1 1 1   -2   40   15 o   33.900   17.302  -6.0713   8.8284  -0.2696   12.815 -11.3113   12.179   37.369   19.195   34.566   17.794 2.802887 26.17384 
1 1 1   -2   40   16 o   39.451   19.872   7.3486   9.3331   4.5488   13.254   10.103   13.145   37.894   19.466   39.338   20.157 -1.444427 28.02247 
1 1 1   -2   40   17 o   46.683   22.926   20.951   9.5676   24.926   13.640   17.103   13.424   42.396   21.626   40.230   20.596 2.166538 29.86441 
1 1 1   -2   40   18 o   35.926   18.259   3.2981   9.0571  -8.1028   12.375   16.448   13.291   33.512   17.283   39.051   20.028 -5.539295 26.45403 
1 1 1   -2   41    1 o   33.637   17.162  -7.5754   8.6264 -19.2243   11.923   5.2223   12.497   33.239   17.135   39.612   20.247 -6.372242 26.52417 
1 1 1   -2   41    2 o   42.490   21.052   9.1463   8.7015   3.6771   11.741   15.811   12.961   39.067   19.941   42.909   21.811 -3.841969 29.55236 
1 1 1   -2   41    3 o   45.925   22.425   13.796   8.7644   3.8573   11.877   25.680   12.987   39.028   19.932   46.676   23.502 -7.647942 30.81586 
1 1 1   -2   41    4 o   41.745   20.593   7.8522   8.0088   16.876   11.784   0.1049   10.918   43.890   22.136   37.534   19.164 6.356339 29.27854 
1 1 1   -2   41    5 o   36.890   18.607   0.7132   8.3396   16.030   12.543 -11.4212   11.164   42.704   21.682   34.144   17.548 8.560143 27.89319 
1 1 1   -2   41    6 o   37.263   18.831   1.5524   8.7811   3.4132   12.463  -0.2821   12.375   38.363   19.656   37.342   19.163 1.020309 27.45129 
1 1 1   -2   41    7 o   41.538   20.648   9.2612   8.6401  -3.6570   11.431   26.480   13.197   35.945   18.444   45.411   22.965 -9.465710 29.45444 
1 1 1   -2   41    8 o   35.322   17.963  -1.6753   8.8735   0.1304   12.532  -3.4911   12.566   36.936   18.972   36.071   18.543 0.8653259 26.52926 
1 1 1   -2   41    9 o   33.611   17.143  -4.7121   8.5535  -5.7369   12.740  -3.8710   11.542   35.313   18.180   35.365   18.167 -0.5147934E-01 25.70109 
1 1 1   -2   41   10 o   39.889   20.013   9.0436   8.9948   20.106   13.160  -0.6556   12.322   41.553   21.200   36.005   18.504 5.547455 28.14013 
1 1 1   -2   41   11 o   34.007   17.361  -2.6169   8.9368   3.4674   12.706  -8.5740   12.572   36.587   18.803   33.956   17.508 2.630775 25.69210 
1 1 1   -2   41   12 f   33.571   17.120  -2.1526   8.4983 -20.5068   11.700   18.344   12.364   30.924   15.979   40.248   20.536 -9.324272 26.02057 
1 1 1   -2   41   13 f   37.217   18.690   6.4612   7.9363   4.3178   10.800   8.9774   11.701   35.757   18.319   36.996   18.961 -1.239338 26.36490 
1 1 1   -2   41   14 o   38.495   19.263   9.8421   8.0721   2.8391   11.845   15.914   11.030   34.736   17.864   38.823   19.771 -4.087143 26.64670 
1 1 1   -2   41   15 o   34.056   17.305   2.9956   8.1115  -7.7940   12.407   11.050   10.720   32.087   16.577   36.474   18.652 -4.386417 24.95354 
1 1 1   -2   42    1 o   38.018   19.129   9.0846   8.5234   8.6224   11.993   9.5562   12.116   36.451   18.716   36.668   18.826 -0.2165070 26.54626 
1 1 1   -2   42    2 o   34.764   17.696   2.6304   8.7600  -6.0082   12.943   9.9320   11.900   33.304   17.195   36.750   18.855 -3.445919 25.51822 
1 1 1   -2   42    3 o   30.612   15.725  -8.6517   8.6291  -4.2744   12.834 -12.2629   11.657   33.491   17.285   31.623   16.327 1.868555 23.77698 
1 1 1   -2   42    4 o   39.775   19.978   13.949   9.0868   15.243   13.197   12.782   12.530   37.334   19.188   36.989   18.999 0.3450775 27.00237 
1 1 1   -2   42    5 o   30.835   15.839  -7.4059   8.7459  -9.2373   12.173  -5.4519   12.574   32.117   16.586   32.915   16.993 -0.7974167 23.74558 
1 1 1   -2   42    6 o   32.443   16.567  -1.2659   8.1899 -11.0591   10.819   11.878   12.534   31.001   15.995   36.255   18.632 -5.254446 24.55565 
1 1 1   -2   42    7 o   42.656   21.062   18.337   8.4473   26.092   11.391   8.8622   12.591   41.181   20.882   35.228   18.133 5.952568 27.65631 
1 1 1   -2   42    8 o   28.154   14.490 -12.6180   8.0040 -18.0145   11.429  -7.4240   11.213   29.636   15.345   31.413   16.210 -1.777214 22.32132 
1 1 1   -2   42    9 o   33.645   17.128   3.8454   8.2221   13.904   11.992  -5.0789   11.295   35.750   18.374   31.585   16.298 4.165091 24.56095 
1 1 1   -2   42   10 o   32.880   16.780   3.0176   8.2915  -3.4160   11.882   9.1241   11.576   31.658   16.350   34.234   17.609 -2.576357 24.02945 
1 1 1   -1    0    1 o  868.636   14.666  978.643   32.977  978.643   32.977  978.643   32.977  868.636   14.666  868.636   14.666 0.000000 0.000000 
1 1 1   -1    0    2 o  703.126   13.168  641.286   23.963  641.286   23.963  641.286   23.963  703.126   13.168  703.126   13.168 0.000000 0.000000 
1 1 1   -1    0    3 o  320.419   10.607  133.449   8.7820  133.449   8.7820  133.449   8.7820  320.419   10.607  320.419   10.607 0.000000 0.000000 
1 1 1   -1    0    4 o   15.723   10.720  -0.8158   1.3498  -0.8158   1.3498  -0.8158   1.3498   15.723   10.720   15.723   10.720 0.000000 0.000000 
1 1 1   -1    0    5 f  688.619   13.162  615.136   23.458  615.136   23.458  615.136   23.458  688.619   13.162  688.619   13.162 0.000000 0.000000 
1 1 1   -1    0    6 o  663.242   13.004  570.666   22.321  570.666   22.321  570.666   22.321  663.242   13.004  663.242   13.004 0.000000 0.000000 
1 1 1   -1    0    7 o  381.269   11.196  188.829   11.035  188.829   11.035  188.829   11.035  381.269   11.196  381.269   11.196 0.000000 0.000000 
1 1 1   -1    0    8 o  379.620   11.340  187.220   11.128  187.220   11.128  187.220   11.128  379.620   11.340  379.620   11.340 0.000000 0.000000 
1 1 1   -1    0    9 o  1063.43   16.886  1467.13   46.487  1467.13   46.487  1467.13   46.487  1063.43   16.886  1063.43   16.886 0.000000 0.000000 
1 1 1   -1    0   10 o  356.057   16.499  165.400   15.143  165.400   15.143  165.400   15.143  356.057   16.499  356.057   16.499 0.000000 0.000000 
1 1 1   -1    0   11 f  682.928   13.475  605.144   23.816  605.144   23.816  605.144   23.816  682.928   13.475  682.928   13.475 0.000000 0.000000 
1 1 1   -1    0   12 o  484.948   12.287  305.353   15.412  305.353   15.412  305.353   15.412  484.948   12.287  484.948   12.287 0.000000 0.000000 
1 1 1   -1    0   13 o  193.597   14.053   49.347   6.9619   49.347   6.9619   49.347   6.9619  193.597   14.053  193.597   14.053 0.000000 0.000000 
1 1 1   -1    0   14 o  277.653   12.377  100.520   8.8615  100.520   8.8615  100.520   8.8615  277.653   12.377  277.653   12.377 0.000000 0.000000 
1 1 1   -1    0   15 o  614.430   13.310  490.236   21.162  490.236   21.162  490.236   21.162  614.430   13.310  614.430   13.310 0.000000 0.000000 
1 1 1   -1    0   16 o  265.172   13.194   91.901   9.0118   91.901   9.0118   91.901   9.0118  265.172   13.194  265.172   13.194 0.000000 0.000000 
1 1 1   -1    0   17 o  444.582   12.426  257.143   14.285  257.143   14.285  257.143   14.285  444.582   12.426  444.582   12.426 0.000000 0.000000 
1 1 1   -1    0   18 o  221.453   15.403   64.656   8.7373   64.656   8.7373   64.656   8.7373  221.453   15.403  221.453   15.403 0.000000 0.000000 
1 1 1   -1    0   19 o  160.366   29.237   36.730   10.950   36.730   10.950   36.730   10.950  160.366   29.237  160.366   29.237 0.000000 0.000000 
1 1 1   -1    0   20 o  331.226   19.847  144.100   16.888  144.100   16.888  144.100   16.888  331.226   19.847  331.226   19.847 0.000000 0.000000 
1 1 1   -1    0   21 o   52.611   29.304   4.8937   5.9295   4.8937   5.9295   4.8937   5.9295   52.611   29.304   52.611   29.304 0.000000 0.000000 
1 1 1   -1    0   22 o  672.166   14.325  586.613   24.915  586.613   24.915  586.613   24.915  672.166   14.325  672.166   14.325 0.000000 0.000000 
1 1 1   -1    0   23 o  132.467   29.353   25.882   8.8056   25.882   8.8056   25.882   8.8056  132.467   29.353  132.467   29.353 0.000000 0.000000 
1 1 1   -1    0   24 o  373.022   16.381  181.518   15.758  181.518   15.758  181.518   15.758  373.022   16.381  373.022   16.381 0.000000 0.000000 
1 1 1   -1    0   25 o  357.854   15.411  167.018   14.225  167.018   14.225  167.018   14.225  357.854   15.411  357.854   15.411 0.000000 0.000000 
1 1 1   -1    0   26 o   40.773   27.303  -2.9712   8.0213  -2.9712   8.0213  -2.9712   8.0213   40.773   27.303   40.773   27.303 0.000000 0.000000 
1 1 1   -1    0   27 o  172.730   26.392   41.444   10.990   41.444   10.990   41.444   10.990  172.730   26.392  172.730   26.392 0.000000 0.000000 
1 1 1   -1    0   28 o  388.337   16.222  196.822   16.253  196.822   16.253  196.822   16.253  388.337   16.222  388.337   16.222 0.000000 0.000000 
1 1 1   -1    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    0   30 o  287.957   16.068  108.762   11.900  108.762   11.900  108.762   11.900  287.957   16.068  287.957   16.068 0.000000 0.000000 
1 1 1   -1    0   31 o  333.083   17.221  145.538   14.767  145.538   14.767  145.538   14.767  333.083   17.221  333.083   17.221 0.000000 0.000000 
1 1 1   -1    0   32 o  506.303   15.440  334.575   20.207  334.575   20.207  334.575   20.207  506.303   15.440  506.303   15.440 0.000000 0.000000 
1 1 1   -1    0   33 o  645.576   15.041  543.931   25.121  543.931   25.121  543.931   25.121  645.576   15.041  645.576   15.041 0.000000 0.000000 
1 1 1   -1    0   34 o  443.879   15.015  257.993   17.220  257.993   17.220  257.993   17.220  443.879   15.015  443.879   15.015 0.000000 0.000000 
1 1 1   -1    0   35 o  144.410   35.456   32.479   11.486   32.479   11.486   32.479   11.486  144.410   35.456  144.410   35.456 0.000000 0.000000 
1 1 1   -1    0   36 o  107.556   41.236   21.478   10.856   21.478   10.856   21.478   10.856  107.556   41.236  107.556   41.236 0.000000 0.000000 
1 1 1   -1    0   37 o  354.026   15.756  165.565   14.383  165.565   14.383  165.565   14.383  354.026   15.756  354.026   15.756 0.000000 0.000000 
1 1 1   -1    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    0   39 o  363.507   16.747  176.115   15.692  176.115   15.692  176.115   15.692  363.507   16.747  363.507   16.747 0.000000 0.000000 
1 1 1   -1    0   40 o  102.327   39.035   20.200   9.7478   20.200   9.7478   20.200   9.7478  102.327   39.035  102.327   39.035 0.000000 0.000000 
1 1 1   -1    0   41 f   74.695   39.309   12.693   10.096   12.693   10.096   12.693   10.096   74.695   39.309   74.695   39.309 0.000000 0.000000 
1 1 1   -1    0   42 o   46.290   30.685  -0.2561   9.7025  -0.2561   9.7025  -0.2561   9.7025   46.290   30.685   46.290   30.685 0.000000 0.000000 
1 1 1   -1    0   43 o  125.155   39.956   29.403   11.414   29.403   11.414   29.403   11.414  125.155   39.956  125.155   39.956 0.000000 0.000000 
1 1 1   -1    0   44 o   57.866   35.343   7.0337   10.049   7.0337   10.049   7.0337   10.049   57.866   35.343   57.866   35.343 0.000000 0.000000 
1 1 1   -1    0   45 o   44.792   30.304  -0.9621   10.367  -0.9621   10.367  -0.9621   10.367   44.792   30.304   44.792   30.304 0.000000 0.000000 
1 1 1   -1    0   46 o  139.585   43.195   40.225   13.673   40.225   13.673   40.225   13.673  139.585   43.195  139.585   43.195 0.000000 0.000000 
1 1 1   -1    0   47 o   77.074   48.402   25.580   20.169   25.580   20.169   25.580   20.169   77.074   48.402   77.074   48.402 0.000000 0.000000 
1 1 1   -1    0   48 o   36.143   25.963 -11.5100   11.696 -11.5100   11.696 -11.5100   11.696   36.143   25.963   36.143   25.963 0.000000 0.000000 
1 1 1   -1    0   49 o  101.917   45.487   30.793   12.754   30.793   12.754   30.793   12.754  101.917   45.487  101.917   45.487 0.000000 0.000000 
1 1 1   -1    0   50 o   39.871   28.314  -4.3163   12.437  -4.3163   12.437  -4.3163   12.437   39.871   28.314   39.871   28.314 0.000000 0.000000 
1 1 1   -1    1    1 o  1394.34   14.350  2520.89   51.828  2605.93   75.710  2445.89   71.099  1416.80   20.630  1372.71   19.996 44.09448 28.72995 
1 1 1   -1    1    2 o  733.343   9.4959  696.872   18.038  685.251   25.249  708.987   25.780  727.021   13.407  739.503   13.458 -12.48120 18.99678 
1 1 1   -1    1    3 o  838.580   10.215  911.305   22.188  920.745   31.602  902.127   31.159  842.663   14.478  834.104   14.422 8.559753 20.43519 
1 1 1   -1    1    4 o  199.431   7.4252   51.528   3.8357   50.527   5.4425   52.515   5.4068  197.162   10.697  201.032   10.419 -3.870667 14.93223 
1 1 1   -1    1    5 o  630.111   8.9608  514.465   14.626  529.465   21.001  500.337   20.381  639.083   12.686  621.256   12.665 17.82666 17.92585 
1 1 1   -1    1    6 o  750.831   9.7287  730.544   18.921  746.234   27.109  715.641   26.421  758.638   13.795  742.929   13.729 15.70966 19.46308 
1 1 1   -1    1    7 o  869.436   10.529  979.681   23.712  961.642   33.097  998.705   33.989  861.112   14.838  877.540   14.953 -16.42822 21.06536 
1 1 1   -1    1    8 o  1047.43   11.797  1422.14   32.006  1403.17   44.778  1441.95   45.765  1039.98   16.622  1054.24   16.759 -14.25537 23.60419 
1 1 1   -1    1    9 o  1708.35   17.031  3786.82   75.364  3808.85  107.311  3765.37  105.865  1711.71   24.203  1701.96   24.013 9.749878 34.09431 
1 1 1   -1    1   10 o  1158.86   17.967  1743.05   53.934  1712.00   75.165  1776.00   77.434  1147.30   25.292  1168.49   25.583 -21.19141 35.97499 
1 1 1   -1    1   11 o  561.043   8.8924  407.898   12.923  401.026   18.149  414.966   18.406  556.143   12.598  565.729   12.560 -9.585510 17.78982 
1 1 1   -1    1   12 o  658.889   9.4584  562.651   16.143  541.693   22.411  585.250   23.272  646.282   13.387  671.764   13.374 -25.48169 18.92316 
1 1 1   -1    1   13 o  151.464   11.208   29.907   4.3659   35.721   6.3868   24.807   5.9817  165.229   15.089  137.156   17.216 28.07323 22.89294 
1 1 1   -1    1   14 o  338.664   8.7029  148.659   7.6345  158.148   11.039  139.961   10.570  349.175   12.205  328.476   12.422 20.69882 17.41517 
1 1 1   -1    1   15 o  102.430   14.608   13.900   3.7660   12.935   5.6222   14.684   5.0720   97.676   22.660  104.565   19.441 -6.889900 29.85704 
1 1 1   -1    1   16 o   84.854   18.219   9.7404   3.8849   10.306   5.2736   9.0695   5.7449   87.215   23.010   82.787   24.823 4.428345 33.84740 
1 1 1   -1    1   17 o  315.067   8.9342  128.832   7.2914  134.953   10.219  122.483   10.407  322.172   12.245  306.842   13.094 15.33029 17.92716 
1 1 1   -1    1   18 o  221.569   10.276   63.767   5.8977   58.938   7.9604   69.642   8.7811  212.215   14.570  230.735   14.770 -18.52022 20.74647 
1 1 1   -1    1   19 o  193.709   16.083   49.202   7.9971   34.660   11.223   64.200   11.398  159.990   28.107  220.778   20.153 -60.78838 34.58522 
1 1 1   -1    1   20 o  184.613   17.022   44.708   8.0481   43.390   11.136   46.150   11.645  180.619   24.429  186.312   24.740 -5.693130 34.76873 
1 1 1   -1    1   21 o  541.461   9.5004  380.094   13.325  375.184   18.829  385.020   18.859  537.676   13.520  544.692   13.367 -7.015198 19.01163 
1 1 1   -1    1   22 o  959.184   11.657  1193.11   28.962  1180.34   40.676  1206.24   41.248  953.430   16.470  963.826   16.522 -10.39624 23.32868 
1 1 1   -1    1   23 o  286.087   11.185  106.121   8.2888  102.915   11.996  109.051   11.466  281.060   16.550  289.461   15.347 -8.401794 22.57106 
1 1 1   -1    1   24 o  294.046   12.320  112.139   9.3838  104.271   12.871  121.067   13.710  282.788   17.660  304.819   17.436 -22.03168 24.81708 
1 1 1   -1    1   25 o  405.289   10.428  212.975   10.947  211.220   15.825  214.586   15.159  403.369   15.146  406.616   14.393 -3.246918 20.89382 
1 1 1   -1    1   26 o  200.099   15.462   52.307   7.9522   56.327   11.486   48.607   11.020  206.860   21.763  191.863   22.608 14.99690 31.38108 
1 1 1   -1    1   27 o  653.641   10.551  554.150   17.864  555.539   25.402  552.791   25.128  653.977   14.995  652.374   14.870 1.603577 21.11784 
1 1 1   -1    1   28 o  138.190   19.979   25.386   6.9439   19.978   10.232   30.004   9.4541  121.125   32.097  149.483   25.320 -28.35821 40.88206 
1 1 1   -1    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    1   30 o  408.627   11.034  216.797   11.679  210.728   16.686  222.626   16.353  402.316   16.011  413.616   15.264 -11.29926 22.12106 
1 1 1   -1    1   31 o  182.120   17.408   43.664   8.1120   46.473   12.104   41.373   10.930  186.229   25.783  175.777   24.685 10.45198 35.69519 
1 1 1   -1    1   32 o  327.907   17.299  140.904   14.641   0.0000   0.0000  140.904   14.641  ?   ?   327.907   17.299 0.000000 17.29893 
1 1 1   -1    1   33 o  327.804   11.612  139.890   9.8598  149.510   14.009  130.445   13.880  338.110   15.995  315.162   17.066 22.94806 23.38990 
1 1 1   -1    1   34 o  268.147   12.347   93.794   8.5762   96.576   12.224   91.097   12.035  270.574   17.536  262.683   17.792 7.890930 24.98162 
1 1 1   -1    1   35 o  208.187   16.186   57.288   8.6600   63.467   12.351   51.312   12.146  217.324   22.254  194.355   24.682 22.96886 33.23358 
1 1 1   -1    1   36 o   95.411   27.710   12.667   7.2541   11.039   10.764   14.021   9.8188   94.753   34.215  101.246   32.791 -6.492615 47.39117 
1 1 1   -1    1   37 o  158.631   18.636   33.847   7.5116   19.798   10.680   47.599   10.567  117.111   33.510  187.149   22.233 -70.03795 40.21468 
1 1 1   -1    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    1   39 o  420.062   10.844  231.252   11.799  232.646   16.685  229.857   16.688  418.843   15.379  416.262   15.477 2.580658 21.81849 
1 1 1   -1    1   40 o  325.877   12.093  139.914   10.208  131.547   14.705  147.697   14.183  312.138   18.266  332.415   16.471 -20.27692 24.59600 
1 1 1   -1    1   41 o  213.867   15.614   61.473   8.5901   63.557   12.042   59.313   12.258  213.720   22.069  205.502   23.447 8.217743 32.19957 
1 1 1   -1    1   42 o  189.245   16.190   48.510   7.8598   57.340   11.171   39.853   11.061  202.533   21.627  165.347   26.738 37.18602 34.39000 
1 1 1   -1    1   43 o   65.368   26.789   3.4427   7.2372   1.1011   10.291   5.7340   10.180   69.412   30.303   77.386   31.749 -7.974182 43.88919 
1 1 1   -1    1   44 f   84.929   29.438   10.619   7.9027   11.151   11.573   10.153   10.818   89.452   34.785   86.539   33.636 2.912827 48.38755 
1 1 1   -1    1   45 o   84.190   29.658   10.675   8.0380   1.2083   11.591   19.445   11.157   71.054   31.542  107.156   34.969 -36.10256 47.09258 
1 1 1   -1    1   46 o  108.146   31.515   19.582   9.3687   12.042   11.413   35.160   16.405   88.116   34.466  132.958   42.315 -44.84225 54.57497 
1 1 1   -1    1   47 o   85.830   33.480   11.811   10.747   16.810   16.063   7.7590   14.461   96.123   39.708   82.119   35.884 14.00384 53.51976 
1 1 1   -1    1   48 o   52.374   24.567  -4.7306   8.4242   9.8710   11.881 -19.4921   11.946   81.477   33.944   50.076   24.785 31.40070 42.02932 
1 1 1   -1    1   49 f   47.702   23.007  -8.7383   8.5060  -9.5169   12.420  -8.0504   11.674   57.710   27.826   57.217   27.429 0.4937134 39.07201 
1 1 1   -1    1   50 o   73.109   29.348   8.4157   8.4812   17.283   11.928  -0.6498   12.061   91.493   35.388   64.123   29.853 27.37032 46.29799 
1 1 1   -1    2    1 o  2099.86   20.266  5724.00  110.230  5635.85  153.044  5819.01  158.899  2081.33   28.387  2114.67   29.009 -33.33984 40.58752 
1 1 1   -1    2    2 o  1547.26   15.615  3104.84   62.582  3148.81   89.825  3063.38   87.239  1557.07   22.271  1535.87   21.928 21.20129 31.25462 
1 1 1   -1    2    3 o  356.403   7.6531  164.569   7.0653  171.253   10.133  158.244   9.8564  363.510   10.761  349.428   10.890 14.08261 15.30983 
1 1 1   -1    2    4 o  211.823   7.4728   58.130   4.1002   54.331   5.7891   61.955   5.8081  204.451   10.971  218.649   10.255 -14.19865 15.01782 
1 1 1   -1    2    5 o  1126.59   12.317  1645.25   35.942  1671.07   51.518  1620.77   50.169  1134.88   17.525  1117.69   17.329 17.19141 24.64571 
1 1 1   -1    2    6 o  209.185   7.7332   56.694   4.1902   54.412   5.9391   58.955   5.9128  204.582   11.251  213.010   10.751 -8.427887 15.56136 
1 1 1   -1    2    7 o  492.382   8.3811  314.131   10.689  314.428   15.096  313.832   15.138  492.511   11.833  492.042   11.877 0.4687195 16.76579 
1 1 1   -1    2    8 o  390.520   8.1512  197.600   8.2455  194.219   11.547  201.119   11.778  387.085   11.516  393.900   11.544 -6.814972 16.30583 
1 1 1   -1    2    9 o  932.996   15.642  1129.18   37.802  1189.00   55.382  1077.00   51.725  956.607   22.350  910.492   21.932 46.11456 31.31345 
1 1 1   -1    2   10 f  241.064   9.7207   75.311   6.0699   75.115   7.5521   75.670   10.202  240.399   12.167  240.939   16.445 -0.5399017 20.45667 
1 1 1   -1    2   11 o  285.933   8.3656  105.941   6.1960  110.826   8.8830  101.312   8.6467  292.381   11.729  279.545   11.941 12.83661 16.73803 
1 1 1   -1    2   12 o  745.654   9.9614  720.657   19.240  723.969   27.264  717.372   27.156  747.079   14.089  743.667   14.097 3.412231 19.93051 
1 1 1   -1    2   13 o  471.481   8.8429  288.102   10.800  289.072   15.356  287.153   15.191  472.109   12.557  470.544   12.463 1.565033 17.69230 
1 1 1   -1    2   14 o  463.071   8.8123  277.952   10.570  271.549   14.848  284.532   15.052  457.516   12.529  468.333   12.407 -10.81717 17.63268 
1 1 1   -1    2   15 o  359.360   8.8523  167.434   8.2401  162.305   11.738  172.417   11.571  353.607   12.815  364.490   12.255 -10.88354 17.73168 
1 1 1   -1    2   16 o  162.997   11.727   34.681   4.9183   33.818   6.8272   35.612   7.0915  160.293   16.687  164.507   16.881 -4.213303 23.73702 
1 1 1   -1    2   17 o   75.292   20.826   7.6508   4.1984   7.3178   5.8547   8.0034   6.0239   76.396   25.352   79.129   25.689 -2.732849 36.09217 
1 1 1   -1    2   18 o  381.671   9.0928  189.091   8.9895  182.867   13.019  194.761   12.427  374.846   13.409  386.981   12.398 -12.13422 18.26187 
1 1 1   -1    2   19 o  942.315   16.196  1156.36   39.533  1167.00   56.277  1146.00   55.545  944.011   23.014  935.520   22.922 8.490784 32.48174 
1 1 1   -1    2   20 o  709.837   11.765  653.922   21.633  662.118   26.958  639.100   36.254  713.881   14.579  700.399   19.983 13.48224 24.73554 
1 1 1   -1    2   21 o  373.724   9.5177  181.072   9.2137  175.419   13.269  186.337   12.804  367.635   13.934  378.953   13.044 -11.31769 19.08640 
1 1 1   -1    2   22 o  837.774   10.941  910.043   23.743  943.584   34.555  880.044   32.679  852.574   15.647  823.406   15.322 29.16760 21.89924 
1 1 1   -1    2   23 o  637.769   10.317  527.304   17.043  527.103   24.189  527.503   24.018  637.337   14.652  637.588   14.543 -0.2508545 20.64373 
1 1 1   -1    2   24 o  180.049   16.852   42.463   7.7678   32.158   11.454   51.239   10.570  154.391   29.718  197.397   20.995 -43.00584 36.38623 
1 1 1   -1    2   25 o  535.188   10.156  371.359   14.079  363.064   19.834  379.783   19.988  528.888   14.478  540.945   14.265 -12.05707 20.32464 
1 1 1   -1    2   26 f  491.279   10.107  312.961   12.861  323.391   18.663  303.529   17.748  499.091   14.436  483.543   14.170 15.54819 20.22859 
1 1 1   -1    2   27 o  790.131   11.062  809.877   22.641  819.365   32.362  800.782   31.687  794.092   15.733  785.060   15.582 9.032166 22.14369 
1 1 1   -1    2   28 o  523.566   14.838  356.213   20.124   0.0000   0.0000  356.213   20.124  ?   ?   523.566   14.838 0.000000 14.83844 
1 1 1   -1    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    2   30 o  471.317   10.897  288.413   13.304  286.522   19.040  290.217   18.597  469.155   15.668  472.240   15.203 -3.085419 21.83159 
1 1 1   -1    2   31 o  618.468   10.529  496.774   16.867  466.532   23.986  526.361   23.724  598.386   15.475  635.852   14.404 -37.46515 21.14101 
1 1 1   -1    2   32 o  354.839   11.660  163.760   10.717  176.651   15.457  151.826   14.873  367.819   16.223  340.889   16.843 26.93015 23.38573 
1 1 1   -1    2   33 o  414.805   10.714  223.845   11.511  226.837   16.268  220.843   16.292  416.660   15.073  411.063   15.300 5.596954 21.47779 
1 1 1   -1    2   34 o  344.100   11.237  154.279   10.016  156.194   14.117  152.338   14.211  345.221   15.787  340.854   16.096 4.367920 22.54582 
1 1 1   -1    2   35 o  342.922   16.793  154.747   14.916   0.0000   0.0000  154.747   14.916  ?   ?   342.922   16.793 0.000000 16.79274 
1 1 1   -1    2   36 o  177.243   16.785   41.782   7.6143   37.062   11.697   45.253   10.031  162.771   28.797  183.023   21.572 -20.25237 35.98050 
1 1 1   -1    2   37 o   52.572   23.750  -3.1725   6.8917 -11.2728   10.007   4.1355   9.5050   54.736   26.004   75.971   30.867 -21.23437 40.36061 
1 1 1   -1    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    2   39 o  180.232   16.358   43.546   7.5535   38.706   10.572   48.595   10.796  165.955   25.401  187.689   22.666 -21.73424 34.04313 
1 1 1   -1    2   40 o  142.549   21.034   28.194   7.5334   31.279   10.246   24.564   11.115  146.837   27.959  127.194   33.332 19.64310 43.50558 
1 1 1   -1    2   41 f  174.916   17.779   41.691   7.9436   63.063   11.919   24.612   10.655  212.916   21.925  126.827   32.335 86.08876 39.06691 
1 1 1   -1    2   42 o   41.030   19.977 -11.0016   6.8160  -6.3080   10.107 -14.9171   9.2311   58.962   27.409   47.183   23.033 11.77922 35.80216 
1 1 1   -1    2   43 o   74.477   28.509   6.7113   7.6856   3.3526   11.046   9.8627   10.700   74.922   32.041   86.726   33.524 -11.80399 46.37316 
1 1 1   -1    2   44 o  109.206   26.572   18.097   7.4452   21.904   11.144   15.028   10.006  115.290   34.574   97.622   33.148 17.66829 47.89716 
1 1 1   -1    2   45 o   48.053   22.636  -5.9543   7.2859  -7.4026   10.364  -4.5394   10.244   57.022   26.903   59.924   27.766 -2.901417 38.66137 
1 1 1   -1    2   46 o   94.246   35.509   14.953   11.805   11.730   16.539   18.300   16.855   91.050   39.078  100.684   41.028 -9.633110 56.66045 
1 1 1   -1    2   47 o   99.097   38.360   18.498   14.025   22.620   20.715   15.010   19.057  103.526   44.065   94.241   41.187 9.284851 60.31597 
1 1 1   -1    2   48 o   55.610   25.049  -0.6015   7.6011   3.0920   10.065  -5.5031   11.595   67.631   29.735   60.204   28.420 7.427216 41.13206 
1 1 1   -1    2   49 o   81.555   30.896   11.317   8.9675   8.1671   12.623   14.526   12.741   77.692   33.744   88.143   35.764 -10.45042 49.17053 
1 1 1   -1    2   50 o   42.749   20.952 -11.1466   7.8666  -6.7281   11.345 -15.2377   10.917   56.538   27.087   48.776   24.058 7.761829 36.22819 
1 1 1   -1    3    1 f  850.936   10.325  938.377   22.758  945.553   32.362  931.355   32.010  853.922   14.631  847.490   14.581 6.431702 20.65606 
1 1 1   -1    3    2 o  398.602   7.8731  205.851   8.1290  207.451   11.506  204.256   11.486  400.078   11.103  396.983   11.170 3.094940 15.74937 
1 1 1   -1    3    3 o  615.440   12.577  491.007   20.051   0.0000   0.0000  491.007   20.051  ?   ?   615.440   12.577 0.000000 12.57748 
1 1 1   -1    3    4 o  315.297   7.6739  128.798   6.2673  123.621   8.7987  134.130   8.9294  308.839   10.999  321.704   10.716 -12.86551 15.35558 
1 1 1   -1    3    5 o  203.885   7.8636   53.858   4.1529   49.658   5.7443   58.457   6.0111  195.402   11.399  212.092   10.979 -16.68982 15.82617 
1 1 1   -1    3    6 o  281.351   7.8387  102.560   5.7127  102.217   8.1026  102.900   8.0557  280.827   11.139  281.765   11.037 -0.9381409 15.68103 
1 1 1   -1    3    7 f  1118.95   12.330  1623.13   35.739  1620.04   50.469  1626.24   50.615  1117.36   17.437  1119.50   17.455 -2.136719 24.67221 
1 1 1   -1    3    8 o  573.508   8.8686  426.202   13.175  433.526   18.793  419.123   18.476  578.270   12.546  568.583   12.545 9.687256 17.74173 
1 1 1   -1    3    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    3   10 o  230.183   8.7510   68.658   5.2177   69.221   7.4540   68.118   7.3062  230.722   12.519  228.882   12.369 1.840515 17.59913 
1 1 1   -1    3   11 o  845.445   10.555  926.496   23.116  933.516   32.861  919.621   32.523  848.295   14.955  841.963   14.912 6.333008 21.11940 
1 1 1   -1    3   12 o  254.817   9.0714   84.152   5.9876   81.260   8.4783   87.029   8.4573  249.966   13.140  259.056   12.603 -9.090454 18.20746 
1 1 1   -1    3   13 o  263.116   9.2098   89.733   6.2770   88.428   8.8734   91.041   8.8806  260.757   13.180  264.927   12.941 -4.169647 18.47100 
1 1 1   -1    3   14 o  427.322   8.8149  236.704   9.7571  234.941   13.708  238.515   13.891  425.544   12.436  428.765   12.507 -3.220703 17.63774 
1 1 1   -1    3   15 o  418.808   8.9622  227.440   9.7226  218.883   13.594  236.401   13.911  410.602   12.781  426.732   12.585 -16.13031 17.93724 
1 1 1   -1    3   16 o  360.629   9.1355  168.742   8.5338  176.871   12.106  160.712   12.032  368.906   12.669  351.598   13.211 17.30774 18.30365 
1 1 1   -1    3   17 o  395.881   9.2403  203.455   9.4755  200.669   13.408  206.235   13.393  392.685   13.181  398.122   12.987 -5.436615 18.50441 
1 1 1   -1    3   18 o  180.591   12.287   42.601   5.7135   37.940   8.1045   47.206   8.0558  169.356   18.792  189.520   16.577 -20.16414 25.05798 
1 1 1   -1    3   19 o   67.470   29.372  -1.5580   9.6088   0.0000   0.0000  -1.5580   9.6088  ?   ?    67.470   29.372 0.000000 29.37237 
1 1 1   -1    3   20 o  553.582   9.5334  397.406   13.670  397.308   19.455  397.503   19.213  553.153   13.578  553.307   13.405 -0.1536255 19.08042 
1 1 1   -1    3   21 o  770.329   10.512  769.451   20.976  752.882   29.493  786.411   29.840  761.536   14.951  778.326   14.801 -16.79059 21.03833 
1 1 1   -1    3   22 o  198.673   19.448   51.787   9.8801   51.787   9.8801   0.0000   0.0000  198.673   19.448  ?   ?  0.000000 19.44812 
1 1 1   -1    3   23 o  826.280   11.159  885.244   23.885  882.003   33.821  888.468   33.735  824.296   15.840  827.324   15.742 -3.027222 22.33187 
1 1 1   -1    3   24 o  1022.13   12.336  1355.04   32.662  1370.61   46.709  1340.15   45.690  1027.22   17.554  1015.78   17.365 11.44769 24.69180 
1 1 1   -1    3   25 o  397.115   10.283  204.472   10.578  205.369   15.124  203.613   14.800  397.756   14.679  396.067   14.425 1.688568 20.58068 
1 1 1   -1    3   26 o  821.333   11.132  874.976   23.683  878.361   33.775  871.701   33.219  822.299   15.857  819.207   15.655 3.092651 22.28234 
1 1 1   -1    3   27 o   81.318   27.145   8.1618   6.7088   1.3029   10.764   12.519   8.5790   76.719   32.162   98.004   30.521 -21.28455 44.33909 
1 1 1   -1    3   28 o  391.536   11.369  198.945   11.531  198.583   16.493  199.292   16.127  390.767   16.294  391.503   15.902 -0.7353210 22.76822 
1 1 1   -1    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    3   30 o  207.368   16.044   56.328   8.5510   55.244   12.157   57.390   12.030  204.051   23.425  208.177   22.676 -4.125809 32.60262 
1 1 1   -1    3   31 o  110.453   25.389   16.689   7.1118   36.127   10.801   1.8094   9.4495  163.600   26.384   72.834   30.301 90.76617 40.17829 
1 1 1   -1    3   32 o  213.044   14.234   59.423   7.8100   48.083   10.205   75.453   12.133  190.223   21.065  239.095   19.769 -48.87123 28.88807 
1 1 1   -1    3   33 o  317.384   11.521  131.158   9.4713  136.068   13.257  126.040   13.536  322.504   15.869  309.734   16.936 12.77005 23.20920 
1 1 1   -1    3   34 o   67.748   26.138   4.1985   6.4946   8.3952   8.7920  -0.8419   9.6352   85.175   30.897   67.892   29.484 17.28215 42.70749 
1 1 1   -1    3   35 f   82.670   28.150   8.7032   7.2161   3.5075   10.246   13.817   10.165   77.464   31.825  101.358   33.393 -23.89356 46.12934 
1 1 1   -1    3   36 o  299.355   12.093  117.190   9.3774  103.376   13.890  128.758   12.711  278.447   19.379  312.359   15.761 -33.91238 24.97936 
1 1 1   -1    3   37 f  109.204   26.547   16.881   7.4365   20.039   10.745   13.978   10.303  117.635   33.596  100.934   33.636 16.70107 47.54020 
1 1 1   -1    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    3   39 o  117.996   25.162   19.846   7.4557   17.109   10.666   22.461   10.426  107.895   34.096  122.897   32.321 -15.00193 46.98066 
1 1 1   -1    3   40 o  128.618   21.401   23.112   6.8795   19.994   9.4176   26.679   10.074  115.620   30.867  134.342   29.735 -18.72223 42.85932 
1 1 1   -1    3   41 o  289.915   12.472  111.194   9.3660  112.986   13.386  109.476   13.109  288.494   18.003  284.030   17.910 4.464264 25.39421 
1 1 1   -1    3   42 o  186.809   16.944   47.514   8.1096   50.716   11.120   43.875   11.853  189.208   23.173  173.016   27.357 16.19141 35.85229 
1 1 1   -1    3   43 o  201.483   17.206   55.564   8.8936   53.311   12.654   57.764   12.503  190.801   26.302  200.053   24.648 -9.252808 36.04621 
1 1 1   -1    3   44 o   86.020   29.699   11.026   8.0398   5.4922   11.943   15.613   10.873   79.264   33.586   98.930   34.516 -19.66628 48.15992 
1 1 1   -1    3   45 o   62.572   26.763   2.1048   7.7097   2.4939   11.250   1.7603   10.586   71.984   31.547   69.379   30.499 2.605125 43.87979 
1 1 1   -1    3   46 o   51.072   24.396  -8.4700   9.0574  -8.1000   10.834  -9.3290   16.507   56.923   27.047   69.054   32.972 -12.13084 42.64595 
1 1 1   -1    3   47 o   69.149   30.039   3.6229   10.007  -1.5097   12.214   14.100   17.451   66.628   30.675   92.249   39.870 -25.62045 50.30467 
1 1 1   -1    3   48 o   54.155   24.763  -1.8289   7.7764   6.1235   11.327  -8.9197   10.695   74.376   32.133   54.518   26.167 19.85831 41.43981 
1 1 1   -1    3   49 o   62.645   27.660   2.2657   8.7983   12.463   12.889  -6.6311   12.039   84.344   35.265   59.158   28.222 25.18631 45.16735 
1 1 1   -1    3   50 o   64.031   28.584   2.8387   9.6572  -2.1410   15.734   5.8484   12.232   67.991   32.388   71.905   32.129 -3.913849 45.62103 
1 1 1   -1    4    1 o  1391.53   14.378  2510.88   51.824  2466.99   72.083  2557.83   74.562  1378.51   20.187  1403.60   20.508 -25.09607 28.77659 
1 1 1   -1    4    2 o  424.376   8.0865  233.340   8.8892  236.776   12.646  229.984   12.498  427.408   11.422  421.232   11.454 6.175873 16.17622 
1 1 1   -1    4    3 o  411.047   11.443  218.998   12.184  218.998   12.184   0.0000   0.0000  411.047   11.443  ?   ?  0.000000 11.44287 
1 1 1   -1    4    4 o  252.928   11.009   82.914   7.2129   0.0000   0.0000   82.914   7.2129  ?   ?   252.928   11.009 0.000000 11.00936 
1 1 1   -1    4    5 o  622.184   9.0385  501.618   14.567  510.189   20.838  493.427   20.371  627.319   12.824  616.932   12.747 10.38751 18.08180 
1 1 1   -1    4    6 o  350.496   8.0182  159.170   7.2796  160.985   10.259  157.329   10.331  352.422   11.238  348.392   11.448 4.029938 16.04231 
1 1 1   -1    4    7 o  209.450   12.088   57.059   6.5305   0.0000   0.0000   57.059   6.5305  ?   ?   209.450   12.088 0.000000 12.08836 
1 1 1   -1    4    8 o  421.630   11.862  230.452   12.955  243.900   18.388  217.200   18.254  433.577   16.373  409.119   17.225 24.45792 23.76479 
1 1 1   -1    4    9 o  571.682   12.712  423.741   18.824  436.900   27.233  411.700   26.050  580.165   18.121  563.203   17.856 16.96216 25.44078 
1 1 1   -1    4   10 o  139.412   10.277   25.328   3.6849   28.496   5.3192   22.404   5.1097  147.559   14.088  130.511   15.412 17.04732 20.88050 
1 1 1   -1    4   11 o  1062.97   12.031  1465.00   33.126  1465.00   46.846  1465.00   46.847  1062.38   17.023  1062.38   17.024 -0.7324219E-03 24.07490 
1 1 1   -1    4   12 o  447.252   8.8067  259.246   10.203  261.899   14.534  256.668   14.326  449.386   12.486  444.878   12.432 4.508179 17.61935 
1 1 1   -1    4   13 o  250.397   9.1448   81.271   5.9314   88.042   8.6930   75.372   8.1134  260.514   12.882  240.683   13.063 19.83105 18.34631 
1 1 1   -1    4   14 o  188.542   10.753   46.254   5.2297   37.653   7.2720   55.468   7.5264  169.392   16.795  206.211   14.177 -36.81905 21.97812 
1 1 1   -1    4   15 o  507.580   9.1649  334.149   12.050  325.646   16.802  343.155   17.291  500.728   12.954  514.010   12.987 -13.28156 18.34269 
1 1 1   -1    4   16 o  345.833   9.1240  155.210   8.1734  149.580   11.389  161.189   11.736  339.159   12.964  352.084   12.868 -12.92548 18.26668 
1 1 1   -1    4   17 o  464.953   9.1731  280.652   11.048  284.754   15.962  276.879   15.307  467.750   13.174  461.299   12.810 6.451599 18.37519 
1 1 1   -1    4   18 o  335.485   9.0130  146.069   7.8323  144.268   10.959  147.949   11.198  333.074   12.703  337.285   12.817 -4.210785 18.04517 
1 1 1   -1    4   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    4   20 o  512.312   9.3443  340.316   12.400  355.547   17.771  325.864   17.311  523.363   13.109  501.020   13.339 22.34283 18.70203 
1 1 1   -1    4   21 o  612.003   9.8020  485.571   15.539  496.675   22.281  475.055   21.682  618.654   13.904  605.045   13.834 13.60907 19.61387 
1 1 1   -1    4   22 o  431.670   9.9337  241.557   11.107  244.752   15.951  238.549   15.476  434.310   14.179  428.785   13.934 5.524902 19.87945 
1 1 1   -1    4   23 o  1159.40   13.204  1743.73   39.655  1687.95   54.594  1806.04   57.696  1139.84   18.491  1178.95   18.893 -39.11536 26.43561 
1 1 1   -1    4   24 o   71.097   27.656   4.0672   7.3172  -2.6453   10.241   11.069   10.459   68.366   30.027   97.219   33.856 -28.85217 45.25343 
1 1 1   -1    4   25 o  469.319   10.188  285.591   12.386  276.356   17.741  294.373   17.299  461.377   14.844  476.241   14.023 -14.86328 20.42083 
1 1 1   -1    4   26 f  473.579   10.316  290.851   12.655  282.319   18.323  298.633   17.498  466.228   15.172  479.603   14.085 -13.37451 20.70242 
1 1 1   -1    4   27 o  597.047   10.466  462.381   16.186  447.334   22.511  478.486   23.288  586.804   14.810  606.891   14.814 -20.08765 20.94752 
1 1 1   -1    4   28 o  987.632   12.133  1266.29   31.040  1238.29   43.414  1295.58   44.398  975.497   17.181  997.808   17.178 -22.31183 24.29539 
1 1 1   -1    4   29 o  400.579   22.392  210.400   23.141   0.0000   0.0000  210.400   23.141  ?   ?   400.579   22.392 0.000000 22.39207 
1 1 1   -1    4   30 o  244.878   13.334   78.197   8.4263   73.319   11.504   83.842   12.377  236.253   18.958  252.723   19.047 -16.46979 26.87355 
1 1 1   -1    4   31 o  766.894   10.964  764.165   21.779  756.490   30.556  772.089   31.050  761.819   15.484  769.604   15.576 -7.785278 21.96276 
1 1 1   -1    4   32 o  329.529   11.304  141.238   9.6493  145.469   13.091  136.205   14.279  333.867   15.137  322.269   17.167 11.59848 22.88735 
1 1 1   -1    4   33 o  402.708   10.382  210.983   10.830  211.242   15.029  210.704   15.620  402.117   14.429  401.461   15.020 0.6563416 20.82757 
1 1 1   -1    4   34 o   53.641   23.802  -2.0391   6.5943  -2.3620   8.9016  -1.6463   9.8170   62.632   27.730   67.154   29.449 -4.522079 40.45001 
1 1 1   -1    4   35 o  162.029   18.188   35.079   7.5018   32.923   11.023   36.939   10.239  153.515   28.777  164.251   24.842 -10.73668 38.01600 
1 1 1   -1    4   36 o  199.049   15.777   52.493   8.0680   59.610   11.629   45.888   11.202  210.198   21.669  183.225   24.195 26.97212 32.48027 
1 1 1   -1    4   37 o   47.189   22.008  -5.7221   6.6013   9.1338   9.7328 -18.3783   8.9834   87.677   32.397   44.410   21.889 43.26636 39.09795 
1 1 1   -1    4   38 o  101.994   39.545   12.270   14.924   0.0000   0.0000   12.270   14.924  ?   ?   101.994   39.545 0.000000 39.54525 
1 1 1   -1    4   39 o   89.811   28.127   11.417   7.2745   26.157   10.702  -1.2426   9.9182  132.850   31.566   66.445   29.352 66.40468 43.10375 
1 1 1   -1    4   40 o  139.052   21.350   26.958   7.4443   28.445   11.227   25.790   9.9447  137.336   32.131  131.839   29.819 5.497055 43.83562 
1 1 1   -1    4   41 f   80.005   28.347   8.6027   7.3536   15.921   10.461   1.4530   10.339  102.604   33.879   70.978   30.683 31.62572 45.70850 
1 1 1   -1    4   42 o   63.442   26.330   2.6678   7.1100  -4.6579   10.364   9.1817   9.7726   61.699   28.350   84.461   32.191 -22.76182 42.89524 
1 1 1   -1    4   43 f   67.341   26.779   4.6009   6.9935  -0.5828   8.9650   12.659   11.178   62.655   27.780   93.100   34.655 -30.44477 44.41516 
1 1 1   -1    4   44 o  104.637   27.893   16.928   7.6978   5.5670   11.163   27.228   10.629   77.765   32.685  130.464   31.752 -52.69936 45.56875 
1 1 1   -1    4   45 o  117.353   26.673   21.293   7.9241   19.063   11.222   23.511   11.191  105.456   35.103  117.190   34.528 -11.73492 49.23830 
1 1 1   -1    4   46 o   65.072   29.801  -1.7962   11.324  -3.6030   16.259  -0.0945   15.780   73.158   34.256   75.706   34.858 -2.548340 48.87305 
1 1 1   -1    4   47 o  135.836   28.622   30.062   9.7532   28.319   13.523   31.952   14.080  120.136   38.438  127.363   39.008 -7.226692 54.76455 
1 1 1   -1    4   48 o  107.908   30.975   20.459   9.1118   23.307   13.078   17.772   12.702  107.197   37.822   95.827   36.659 11.37061 52.67251 
1 1 1   -1    4   49 o  101.043   29.170   17.891   8.0602   15.799   11.347   20.022   11.452   90.503   34.641   99.933   35.379 -9.429367 49.51423 
1 1 1   -1    4   50 o   67.840   29.214   5.6435   9.3001   20.360   15.308  -2.9651   11.708   92.891   38.600   60.554   28.577 32.33698 48.02708 
1 1 1   -1    5    1 o  1025.56   11.626  1363.33   30.886  1362.08   43.642  1364.57   43.716  1024.68   16.443  1025.62   16.455 -0.9344482 23.26237 
1 1 1   -1    5    2 o  420.402   8.2025  228.995   8.9323  223.164   12.559  234.965   12.706  414.928   11.685  425.762   11.521 -10.83453 16.41007 
1 1 1   -1    5    3 o  820.378   10.262  872.222   21.808  895.040   31.397  850.953   30.313  830.767   14.590  810.059   14.447 20.70868 20.53245 
1 1 1   -1    5    4 o  468.109   8.4116  283.925   10.199  290.872   14.622  277.342   14.234  473.697   11.917  462.550   11.880 11.14771 16.82696 
1 1 1   -1    5    5 o  419.747   9.5491  228.320   10.382  214.200   18.150  235.189   12.658  406.298   17.245  425.960   11.472 -19.66205 20.71275 
1 1 1   -1    5    6 o  524.917   8.7100  357.036   11.843  373.795   17.151  341.761   16.373  536.965   12.331  513.441   12.311 23.52338 17.42429 
1 1 1   -1    5    7 o   49.022   17.604   2.6129   2.8449   5.9490   4.3155   0.0486   3.7834   68.341   21.698   44.528   18.888 23.81242 28.76741 
1 1 1   -1    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    5    9 o  696.492   9.6189  628.687   17.354  629.977   24.661  627.421   24.424  696.977   13.660  695.568   13.556 1.408447 19.24469 
1 1 1   -1    5   10 o  592.753   9.1619  455.345   14.067  453.927   19.959  456.744   19.829  591.641   13.024  593.481   12.899 -1.840271 18.33040 
1 1 1   -1    5   11 o  1065.69   12.076  1472.65   33.335  1451.38   46.572  1495.00   47.734  1057.35   17.004  1073.10   17.173 -15.74487 24.16697 
1 1 1   -1    5   12 o  271.540   8.9703   95.567   6.3095   91.038   9.0578   99.836   8.7939  264.914   13.200  277.451   12.236 -12.53668 17.99884 
1 1 1   -1    5   13 o  110.659   13.677   16.133   3.8368   17.807   5.2551   14.221   5.6149  115.672   18.135  102.595   21.801 13.07691 28.35750 
1 1 1   -1    5   14 o  447.613   8.9880  259.786   10.421  266.257   14.892  253.576   14.588  452.900   12.694  441.980   12.742 10.91974 17.98633 
1 1 1   -1    5   15 o  390.394   9.1096  197.714   9.2119  193.231   13.003  202.231   13.053  385.615   13.018  394.517   12.773 -8.901978 18.23734 
1 1 1   -1    5   16 o  390.600   9.1036  198.036   9.2108  208.127   13.385  188.961   12.694  399.981   12.919  381.127   12.858 18.85403 18.22762 
1 1 1   -1    5   17 o  544.224   13.436  385.551   18.940   0.0000   0.0000  385.551   18.940  ?   ?   544.224   13.436 0.000000 13.43576 
1 1 1   -1    5   18 o  916.343   13.166  1091.84   31.250  1089.79   38.197  1096.00   54.347  914.576   16.123  914.401   22.945 0.1754150 28.04351 
1 1 1   -1    5   19 o  445.689   18.894  258.800   21.812   0.0000   0.0000  258.800   21.812  ?   ?   445.689   18.894 0.000000 18.89388 
1 1 1   -1    5   20 o  252.528   10.650   82.705   6.9667   81.898   10.133   83.427   9.5936  250.608   15.689  253.050   14.699 -2.441696 21.49937 
1 1 1   -1    5   21 o  674.097   10.093  589.121   17.624  598.775   25.152  579.808   24.703  679.252   14.295  668.410   14.268 10.84229 20.19714 
1 1 1   -1    5   22 o  450.513   10.110  263.115   11.798  263.625   16.912  262.631   16.466  450.725   14.485  449.897   14.129 0.8288269 20.23510 
1 1 1   -1    5   23 o  504.152   10.735  329.541   14.019  314.822   19.380  345.695   20.303  492.501   15.191  516.085   15.188 -23.58386 21.48120 
1 1 1   -1    5   24 o  392.388   10.645  199.640   10.819  202.855   15.338  196.455   15.263  395.315   14.979  389.019   15.147 6.295959 21.30258 
1 1 1   -1    5   25 o  468.601   10.303  284.739   12.505  279.535   17.663  289.969   17.708  464.013   14.695  472.611   14.465 -8.598236 20.62008 
1 1 1   -1    5   26 o  226.639   13.835   66.935   8.0832   58.742   10.944   76.769   11.990  211.465   20.227  242.133   19.276 -30.66786 27.94113 
1 1 1   -1    5   27 o  448.713   10.523  261.190   12.231  266.832   17.921  256.270   16.735  453.132   15.268  444.143   14.546 8.989624 21.08799 
1 1 1   -1    5   28 o  366.665   13.818  174.682   13.124  161.910   16.219  198.900   22.335  352.189   17.837  389.657   22.220 -37.46780 28.49353 
1 1 1   -1    5   29 o  235.436   29.218   74.040   17.436   0.0000   0.0000   74.040   17.436  ?   ?   235.436   29.218 0.000000 29.21825 
1 1 1   -1    5   30 o  354.193   11.485  162.977   10.537  168.110   15.559  158.627   14.322  359.115   16.726  348.954   15.845 10.16113 23.03965 
1 1 1   -1    5   31 o  256.928   13.637   86.182   9.0431   81.395   12.945   90.746   12.638  248.452   20.292  262.763   18.690 -14.31110 27.58766 
1 1 1   -1    5   32 o  107.373   26.178   15.885   7.2150   22.981   10.051   8.3416   10.363  128.624   30.610   89.099   33.329 39.52463 45.25214 
1 1 1   -1    5   33 o  289.566   11.630  109.239   8.7235  107.815   12.428  110.621   12.247  286.277   16.834  290.113   16.364 -3.835876 23.47749 
1 1 1   -1    5   34 o  319.561   11.298  133.153   9.3517  136.050   12.521  129.499   14.063  322.194   15.003  313.248   17.400 8.946655 22.97543 
1 1 1   -1    5   35 o  236.590   12.098   73.337   7.3891   70.772   10.321   76.034   10.584  231.001   17.376  239.541   17.171 -8.540787 24.42882 
1 1 1   -1    5   36 o  212.291   14.542   59.502   7.9485   52.063   10.639   68.901   11.958  196.362   21.255  226.438   20.614 -30.07559 29.60926 
1 1 1   -1    5   37 o  215.528   16.111   61.750   8.9293   69.423   10.892   46.020   15.594  227.638   18.635  177.411   35.176 50.22658 39.80728 
1 1 1   -1    5   38 o  288.015   18.280  111.233   13.567  104.500   19.382  117.700   18.996  273.152   27.780  291.788   25.386 -18.63608 37.63264 
1 1 1   -1    5   39 o  112.722   24.459   18.131   6.9363   21.364   10.212   15.363   9.4509  119.537   32.241  102.476   32.054 17.06194 45.46375 
1 1 1   -1    5   40 o  109.859   26.514   17.640   7.4587   16.114   10.496   19.198   10.601  103.823   33.920  112.177   33.740 -8.353523 47.84256 
1 1 1   -1    5   41 o  164.166   18.809   37.086   7.8538   21.638   11.261   51.717   10.959  117.384   34.651  191.924   22.469 -74.54069 41.29824 
1 1 1   -1    5   42 o   69.059   27.684   4.5944   7.5346  -1.9783   10.880   10.651   10.445   66.673   30.007   88.542   33.391 -21.86832 44.89283 
1 1 1   -1    5   43 o  101.810   28.748   15.932   7.9143   15.587   12.008   16.197   10.524   99.863   36.125  101.215   33.997 -1.352188 49.60660 
1 1 1   -1    5   44 o   94.937   30.026   14.141   8.2702   17.987   11.882   10.527   11.518  103.905   36.092   87.348   34.483 16.55698 49.91678 
1 1 1   -1    5   45 o  100.029   28.931   16.036   7.9219   21.961   12.049   11.525   10.514  111.429   36.340   87.109   33.345 24.31995 49.32022 
1 1 1   -1    5   46 o   71.717   34.132  -7.2800   17.389   0.0000   0.0000  -7.2800   17.389  ?   ?    71.717   34.132 0.000000 34.13166 
1 1 1   -1    5   47 o   52.094   24.478  -5.0997   8.4248 -10.0952   11.870  -0.0288   11.959   56.931   27.388   67.468   30.795 -10.53712 41.21214 
1 1 1   -1    5   48 o  111.004   30.858   21.673   9.1934   9.7921   12.865   34.071   13.142   81.174   34.642  132.375   36.929 -51.20033 50.63469 
1 1 1   -1    5   49 o   63.997   28.780   1.8351   9.9856   2.9890   16.640   1.1857   12.483   74.790   34.901   67.576   31.074 7.214600 46.72949 
1 1 1   -1    5   50 o   55.100   26.037  -3.9389   9.7768  -4.8490   16.407  -3.4378   12.174   66.103   31.900   60.679   28.785 5.423908 42.96767 
1 1 1   -1    6    1 o  1131.36   12.439  1659.36   36.454  1678.05   52.070  1641.41   51.052  1137.15   17.678  1124.69   17.524 12.46411 24.89151 
1 1 1   -1    6    2 o  483.455   8.5153  302.852   10.664  300.172   15.026  305.571   15.136  481.202   12.055  485.510   12.035 -4.308624 17.03458 
1 1 1   -1    6    3 o  325.391   8.2069  137.188   6.9172  134.848   9.6530  139.658   9.9173  322.537   11.554  328.235   11.664 -5.698273 16.41799 
1 1 1   -1    6    4 o  356.201   8.3785  164.402   7.7305  183.231   11.191  147.214   10.692  375.972   11.491  336.981   12.249 38.99075 16.79490 
1 1 1   -1    6    5 f  254.345   8.7301   83.827   5.7517   80.557   8.2154   86.971   8.0551  248.937   12.784  259.013   12.006 -10.07640 17.53766 
1 1 1   -1    6    6 o  322.712   9.7582  134.967   8.1571   0.0000   0.0000  134.967   8.1571  ?   ?   322.712   9.7582 0.000000 9.758158 
1 1 1   -1    6    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    6    8 f  530.947   8.8274  365.310   12.140  365.241   17.123  365.378   17.216  530.753   12.455  530.849   12.520 -0.9637451E-01 17.65994 
1 1 1   -1    6    9 o  582.407   9.1207  439.584   13.759  445.767   19.598  433.574   19.322  586.307   12.905  578.234   12.900 8.073608 18.24694 
1 1 1   -1    6   10 o  780.280   10.196  789.193   20.608  797.250   29.384  781.395   28.910  783.922   14.471  776.095   14.381 7.826233 20.40103 
1 1 1   -1    6   11 o  578.069   9.2297  433.121   13.820  432.272   19.587  433.963   19.504  577.280   13.099  578.414   13.017 -1.133545 18.46684 
1 1 1   -1    6   12 o   64.379   19.991   5.3546   3.6834   7.2648   5.2108   3.4468   5.2075   75.311   23.836   61.763   23.509 13.54781 33.47845 
1 1 1   -1    6   13 o  166.453   10.615   36.080   4.5528   36.709   6.3164   35.401   6.5683  167.488   14.708  164.342   15.617 3.146027 21.45293 
1 1 1   -1    6   14 o  507.816   9.1537  334.463   12.041  313.052   16.772  357.236   17.297  490.919   13.189  524.473   12.732 -33.55362 18.33181 
1 1 1   -1    6   15 o  309.998   9.4098  124.724   7.5560  120.654   10.757  128.688   10.616  304.546   13.636  314.583   13.028 -10.03741 18.85915 
1 1 1   -1    6   16 f  414.689   9.1990  223.263   9.8813  217.512   13.871  229.188   14.080  408.806   13.099  419.658   12.952 -10.85181 18.42143 
1 1 1   -1    6   17 o  487.415   9.3155  308.408   11.761  308.434   16.804  308.383   16.467  486.845   13.325  486.852   13.058 -0.6042480E-02 18.65658 
1 1 1   -1    6   18 o   94.257   34.999   9.2550   11.387   0.0000   0.0000   9.2550   11.387  ?   ?    94.257   34.999 0.000000 34.99907 
1 1 1   -1    6   19 o  732.147   10.351  695.334   19.630  678.596   27.308  713.229   28.236  722.726   14.587  740.919   14.712 -18.19324 20.71817 
1 1 1   -1    6   20 o  136.239   15.912   24.433   5.5094   20.184   8.2648   27.831   7.3912  121.998   26.879  144.877   20.249 -22.87852 33.65237 
1 1 1   -1    6   21 o  658.943   10.097  562.919   17.234  553.109   24.156  573.088   24.596  652.854   14.284  664.539   14.289 -11.68573 20.20398 
1 1 1   -1    6   22 f  666.268   10.512  575.525   18.142  570.519   25.693  580.502   25.620  663.015   14.960  668.806   14.789 -5.791016 21.03605 
1 1 1   -1    6   23 o  663.004   10.884  569.962   18.692  595.632   26.963  546.210   25.937  677.388   15.367  648.671   15.436 28.71783 21.78099 
1 1 1   -1    6   24 o  508.771   10.442  335.632   13.761  339.871   19.797  331.669   19.143  511.666   14.937  505.479   14.620 6.186981 20.90125 
1 1 1   -1    6   25 o  313.083   11.452  127.149   9.2875  125.185   13.332  129.001   12.945  309.943   16.668  314.727   15.931 -4.784119 23.05650 
1 1 1   -1    6   26 o  531.007   10.481  365.728   14.416  361.287   20.697  369.912   20.091  527.352   15.152  533.674   14.534 -6.322754 20.99536 
1 1 1   -1    6   27 o  491.011   10.532  312.779   13.395  313.022   19.403  312.557   18.516  490.745   15.264  490.457   14.575 0.2882080 21.10451 
1 1 1   -1    6   28 o  169.309   40.657   39.680   17.606   0.0000   0.0000   39.680   17.606  ?   ?   169.309   40.657 0.000000 40.65715 
1 1 1   -1    6   29 o  193.773   17.344   49.315   8.6136   44.219   12.235   54.323   12.128  181.571   26.822  202.323   23.585 -20.75192 35.71635 
1 1 1   -1    6   30 o  246.861   13.172   79.486   8.3921   70.166   13.109   85.959   10.924  230.327   22.249  256.238   16.547 -25.91161 27.72776 
1 1 1   -1    6   31 o  473.770   10.892  291.743   13.366  279.767   19.044  303.373   18.765  463.019   15.878  482.349   15.019 -19.32983 21.85591 
1 1 1   -1    6   32 o  334.136   11.797  145.357   10.211  139.312   14.367  151.526   14.514  325.753   17.087  340.314   16.465 -14.56100 23.72881 
1 1 1   -1    6   33 o  169.098   15.250   37.727   6.6079   36.428   9.5913   38.901   9.1168  164.175   23.200  170.337   21.115 -6.161774 31.37037 
1 1 1   -1    6   34 o  223.024   21.169   66.573   12.083   0.0000   0.0000   66.573   12.083  ?   ?   223.024   21.169 0.000000 21.16886 
1 1 1   -1    6   35 o  276.778   11.980  100.131   8.5890  102.706   11.788   97.217   12.540  278.747   16.399  270.615   17.992 8.131805 24.34379 
1 1 1   -1    6   36 o  123.149   20.369   20.722   6.2703   11.017   8.0946   35.284   9.9148   90.475   29.799  159.888   24.738 -69.41287 38.72945 
1 1 1   -1    6   37 o  110.459   26.866   17.386   7.6131   18.419   8.8360   14.410   14.998  113.026   29.768  106.635   40.054 6.390366 49.90475 
1 1 1   -1    6   38 o  519.321   12.214  354.450   16.431  350.182   20.004  363.300   28.806  514.276   15.016  517.951   21.471 -3.674927 26.20081 
1 1 1   -1    6   39 o  136.965   19.594   25.813   6.7534   19.118   8.7534   35.658   10.615  113.801   29.463  157.740   26.947 -43.93910 39.92792 
1 1 1   -1    6   40 o  190.855   14.781   48.812   7.2501   45.911   10.070   51.933   10.446  181.544   21.854  193.606   21.176 -12.06178 30.43031 
1 1 1   -1    6   41 o   73.849   26.273   7.1786   6.3232   3.1069   7.9497   14.191   10.433   67.093   27.843   97.643   33.825 -30.54991 43.81050 
1 1 1   -1    6   42 o  135.637   21.759   26.168   7.3863   29.873   10.545   22.598   10.350  139.906   29.997  119.772   32.522 20.13392 44.24385 
1 1 1   -1    6   43 o  117.334   25.900   20.629   7.6612   22.402   10.659   18.735   11.019  117.598   33.419  107.291   34.736 10.30701 48.20165 
1 1 1   -1    6   44 o   78.705   28.185   8.9031   7.2881   12.269   10.148   5.3180   10.474   89.678   33.091   75.491   31.691 14.18642 45.81837 
1 1 1   -1    6   45 o   75.106   28.754   7.7155   7.8187   13.745   10.590   0.4896   11.593   91.814   33.816   69.151   31.061 22.66353 45.91672 
1 1 1   -1    6   46 o  140.233   40.704   38.810   15.656   0.0000   0.0000   38.810   15.656  ?   ?   140.233   40.704 0.000000 40.70356 
1 1 1   -1    6   47 o   42.281   20.776 -12.8022   7.8926 -16.2192   12.508 -10.5414   10.174   53.707   26.342   51.734   25.003 1.972679 36.31918 
1 1 1   -1    6   48 o  121.596   31.676   26.351   10.077   30.590   17.887   24.380   12.196  111.885   43.318  110.241   36.591 1.643257 56.70411 
1 1 1   -1    6   49 o  103.434   32.839   20.569   9.8851   32.000   17.409   15.129   12.009  111.122   42.816   87.709   35.024 23.41320 55.31595 
1 1 1   -1    6   50 o  150.963   25.410   37.835   9.5833   47.283   13.778   28.980   13.339  153.551   35.369  111.098   38.260 42.45243 52.10386 
1 1 1   -1    7    1 o  943.902   15.768  1155.79   38.553   0.0000   0.0000  1155.79   38.553  ?   ?   943.902   15.768 0.000000 15.76798 
1 1 1   -1    7    2 o  579.029   9.0133  434.464   13.519  423.808   18.922  445.573   19.320  571.730   12.777  586.230   12.723 -14.49951 18.03164 
1 1 1   -1    7    3 o  377.158   8.4381  184.320   8.2436  175.291   11.516  193.808   11.805  367.713   12.091  386.656   11.787 -18.94308 16.88564 
1 1 1   -1    7    4 o  513.566   10.200  341.835   13.569  321.400   22.817  353.018   16.879  497.629   17.701  521.808   12.488 -24.17871 21.66270 
1 1 1   -1    7    5 o  398.216   17.285  205.800   17.829   0.0000   0.0000  205.800   17.829  ?   ?   398.216   17.285 0.000000 17.28469 
1 1 1   -1    7    6 f  494.951   18.002  318.000   23.080  318.000   23.080   0.0000   0.0000  494.951   18.002  ?   ?  0.000000 18.00194 
1 1 1   -1    7    7 o  213.783   9.4182   59.230   5.2155   57.710   10.415   59.739   6.0254  209.919   19.372  214.400   10.885 -4.481979 22.22109 
1 1 1   -1    7    8 f  494.678   8.8851  317.120   11.385  318.591   16.168  315.674   16.035  495.674   12.593  493.402   12.546 2.272217 17.77565 
1 1 1   -1    7    9 o  1060.06   12.048  1457.09   33.083  1500.20   47.966  1417.98   45.689  1074.96   17.226  1045.14   16.877 29.82385 24.11578 
1 1 1   -1    7   10 o  539.569   9.0923  377.340   12.708  388.281   18.180  366.886   17.770  547.138   12.828  531.846   12.899 15.29218 18.19164 
1 1 1   -1    7   11 o  340.297   8.7685  150.096   7.7291  148.564   10.737  151.745   11.136  338.431   12.247  342.021   12.569 -3.589874 17.54961 
1 1 1   -1    7   12 o  181.327   10.124   42.769   4.7361   36.148   6.8475   48.842   6.5577  166.029   16.125  193.548   13.158 -27.51921 20.81272 
1 1 1   -1    7   13 o  196.733   14.375   50.553   7.2747   0.0000   0.0000   50.553   7.2747  ?   ?   196.733   14.375 0.000000 14.37496 
1 1 1   -1    7   14 o  277.478   9.6137   99.918   6.9099   96.267   10.095  103.135   9.4779  271.651   14.398  281.680   12.990 -10.02930 19.39198 
1 1 1   -1    7   15 o  219.522   10.718   62.612   6.0943   61.997   8.6728   63.212   8.5656  217.527   15.493  219.713   15.143 -2.186172 21.66451 
1 1 1   -1    7   16 o  565.210   9.5355  414.842   13.961  414.687   19.792  414.995   19.694  564.352   13.539  564.577   13.467 -0.2249146 19.09637 
1 1 1   -1    7   17 o  169.794   12.157   37.661   5.3116   28.784   7.4257   46.962   7.6008  147.063   20.013  189.231   15.647 -42.16795 25.40373 
1 1 1   -1    7   18 o  638.401   19.800  531.500   32.742   0.0000   0.0000  531.500   32.742  ?   ?   638.401   19.800 0.000000 19.79956 
1 1 1   -1    7   19 o  639.593   9.9401  530.492   16.468  531.274   23.447  529.731   23.135  639.647   14.152  638.736   13.983 0.9104614 19.89430 
1 1 1   -1    7   20 o  724.025   10.353  679.691   19.416  689.089   27.909  670.877   27.029  728.591   14.788  718.928   14.514 9.662842 20.72063 
1 1 1   -1    7   21 o  525.840   9.9857  358.460   13.601  354.517   19.184  362.446   19.286  522.687   14.170  528.505   14.088 -5.818298 19.98119 
1 1 1   -1    7   22 o  202.472   16.310   53.571   8.4813   55.411   12.039   51.758   11.950  205.051   23.067  197.979   23.778 7.071671 33.12822 
1 1 1   -1    7   23 o  200.092   16.605   52.353   8.5287   52.040   12.029   52.668   12.094  198.481   23.877  199.693   23.852 -1.212540 33.74918 
1 1 1   -1    7   24 o  491.898   10.290  313.749   13.112  311.957   18.320  315.632   18.773  490.211   14.428  493.069   14.699 -2.857666 20.59660 
1 1 1   -1    7   25 o  265.819   12.395   91.691   8.5344   88.672   12.117   94.663   12.022  260.507   18.069  269.295   17.327 -8.787994 25.03387 
1 1 1   -1    7   26 o  257.811   12.852   86.286   8.5825   85.994   12.333   86.560   11.951  256.368   18.700  257.304   18.046 -0.9361877 25.98739 
1 1 1   -1    7   27 o  442.145   11.289  253.715   12.929  247.822   18.399  259.462   18.170  436.495   16.273  446.693   15.704 -10.19849 22.61479 
1 1 1   -1    7   28 o  213.575   33.416   61.660   17.881   0.0000   0.0000   61.660   17.881  ?   ?   213.575   33.416 0.000000 33.41598 
1 1 1   -1    7   29 o  706.794   10.852  648.680   19.868  642.455   27.952  655.036   28.246  702.483   15.361  709.325   15.373 -6.841980 21.73261 
1 1 1   -1    7   30 o  263.644   12.913   90.421   8.8185   87.923   13.488   92.285   11.654  258.370   20.318  265.383   17.044 -7.012695 26.51991 
1 1 1   -1    7   31 o  281.817   13.142  103.438   9.5937   98.015   14.031  108.199   13.147  272.628   20.009  287.035   17.770 -14.40744 26.76035 
1 1 1   -1    7   32 o  167.242   18.894   37.195   8.0413   37.719   11.453   36.686   11.293  166.100   27.587  163.751   27.606 2.349091 39.02747 
1 1 1   -1    7   33 o   74.368   25.817   6.7436   6.0791  -2.0550   8.7959   14.789   8.4112   62.761   27.687  103.314   29.791 -40.55345 40.67011 
1 1 1   -1    7   34 o  154.848   27.229   33.234   10.523   0.0000   0.0000   33.234   10.523  ?   ?   154.848   27.229 0.000000 27.22875 
1 1 1   -1    7   35 o  257.160   13.359   86.905   8.8680   89.790   12.400   83.884   12.687  259.690   18.556  250.523   19.710 9.167969 27.07077 
1 1 1   -1    7   36 o   87.387   26.429   10.565   6.4916   4.6102   10.089   14.772   8.4800   78.459   31.829  102.102   30.049 -23.64291 43.77225 
1 1 1   -1    7   37 f  237.137   29.878   79.530   17.945   0.0000   0.0000   79.530   17.945  ?   ?   237.137   29.878 0.000000 29.87772 
1 1 1   -1    7   38 o  153.213   19.330   32.019   7.5005   22.928   11.259   39.273   10.057  123.572   34.074  167.892   23.791 -44.32058 41.55780 
1 1 1   -1    7   39 o  216.501   14.910   62.618   8.3107   66.698   12.612   59.487   11.049  219.330   22.518  208.048   20.780 11.28210 30.64158 
1 1 1   -1    7   40 o   40.844   19.924 -11.5395   6.8694  -4.1461   9.9114 -18.3740   9.5295   61.349   28.015   45.726   22.539 15.62252 35.95591 
1 1 1   -1    7   41 o   64.647   26.087   3.6351   6.7389   4.4929   10.363   3.0066   8.8707   75.865   31.661   69.312   29.134 6.552994 43.02608 
1 1 1   -1    7   42 o   82.758   28.949   9.7516   7.6505   24.386   11.561  -1.6498   10.204  122.644   34.786   64.837   29.131 57.80709 45.37315 
1 1 1   -1    7   43 f   55.095   24.769  -1.7109   7.3901  -3.4743   11.147  -0.3279   9.8713   64.483   29.545   65.231   29.025 -0.7487717 41.41703 
1 1 1   -1    7   44 o   88.407   29.675   12.168   8.0181  -3.3763   11.625   26.272   11.073   65.061   29.943  125.428   33.463 -60.36742 44.90428 
1 1 1   -1    7   45 o   43.373   21.218 -12.4271   7.9576  -5.9469   11.309 -18.7827   11.199   60.462   28.393   49.306   24.328 11.15537 37.39032 
1 1 1   -1    7   46 o   92.665   39.812   14.530   17.196   0.0000   0.0000   14.530   17.196  ?   ?    92.665   39.812 0.000000 39.81158 
1 1 1   -1    7   47 o  126.328   28.573   26.503   9.1310   32.300   13.057   20.954   12.774  129.119   37.083  102.717   37.245 26.40182 52.55817 
1 1 1   -1    7   48 o   71.604   29.645   6.9310   8.9819   10.330   13.288   4.0719   12.187   81.223   34.949   71.300   31.949 9.922958 47.35168 
1 1 1   -1    7   49 o   91.055   31.171   15.600   8.8485   9.6415   12.371   21.841   12.661   77.658   33.567   99.817   36.937 -22.15936 49.91040 
1 1 1   -1    7   50 o   97.428   42.561   30.500   20.330   30.500   20.330   0.0000   0.0000   97.428   42.561  ?   ?  0.000000 42.56094 
1 1 1   -1    8    1 o  962.553   16.053  1202.11   40.024  1083.00   52.076  1374.00   62.560  912.908   22.022  1028.03   23.493 -115.1223 32.20091 
1 1 1   -1    8    2 o  632.923   13.179  519.453   21.606  518.700   30.617  520.200   30.494  632.078   18.700  632.999   18.598 -0.9216309 26.37375 
1 1 1   -1    8    3 o  305.214   17.429  121.300   13.722   0.0000   0.0000  121.300   13.722  ?   ?   305.214   17.429 0.000000 17.42898 
1 1 1   -1    8    4 f  695.730   19.490  628.600   35.123  628.600   35.123   0.0000   0.0000  695.730   19.490  ?   ?  0.000000 19.48969 
1 1 1   -1    8    5 o  594.688   9.3513  458.326   14.405  440.611   19.973  477.527   20.795  582.896   13.229  606.823   13.229 -23.92731 18.70857 
1 1 1   -1    8    6 o  635.806   9.4506  523.915   15.564  535.663   22.307  512.769   21.727  642.678   13.400  628.798   13.339 13.88007 18.90767 
1 1 1   -1    8    7 o  924.301   12.928  1107.95   30.952  1112.00   53.758  1105.94   37.857  924.767   22.442  923.159   15.832 1.607849 27.46413 
1 1 1   -1    8    8 o  674.112   9.7115  589.018   16.958  626.500   35.949  578.290   19.232  694.343   19.988  667.864   11.117 26.47900 22.87123 
1 1 1   -1    8    9 o  127.408   16.322   21.418   5.2628   26.480   10.834   19.854   6.0209  139.701   30.770  122.065   19.714 17.63587 36.54380 
1 1 1   -1    8   10 o  615.682   13.448  491.849   21.447  491.849   21.447   0.0000   0.0000  615.682   13.448  ?   ?  0.000000 13.44781 
1 1 1   -1    8   11 o  184.463   10.149   44.257   4.8307   44.127   6.8763   44.385   6.7878  183.778   14.564  184.341   14.328 -0.5636444 20.43045 
1 1 1   -1    8   12 o  138.492   13.747   25.154   4.8663   24.211   7.0028   26.035   6.7672  134.761   20.725  140.123   19.145 -5.362000 28.21494 
1 1 1   -1    8   13 o  326.841   9.3029  138.595   7.8760  135.315   11.244  141.754   11.035  322.644   13.454  330.280   12.899 -7.635590 18.63864 
1 1 1   -1    8   14 f  339.828   9.2366  149.911   8.1306  142.743   11.344  157.484   11.660  331.208   13.222  347.924   12.938 -16.71664 18.49873 
1 1 1   -1    8   15 o  206.602   11.443   55.666   6.0997   54.330   8.7357   56.937   8.5208  203.297   16.738  208.293   15.913 -4.995789 23.09490 
1 1 1   -1    8   16 o  483.664   9.3365  303.687   11.697  293.974   16.515  313.464   16.570  475.276   13.414  490.845   13.032 -15.56821 18.70274 
1 1 1   -1    8   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    8   18 o   77.459   23.583   7.8632   5.1562   14.185   7.3805   1.8355   7.2067  102.321   27.330   65.078   26.708 37.24303 38.21287 
1 1 1   -1    8   19 o  233.326   10.651   70.601   6.4373   77.462   10.002   65.750   8.4108  243.687   15.933  224.574   14.537 19.11281 21.56798 
1 1 1   -1    8   20 o  448.664  10.0000  260.975   11.622  252.058   16.554  269.642   16.320  440.688   14.502  455.845   13.822 -15.15720 20.03334 
1 1 1   -1    8   21 o   90.591   26.322   10.907   6.5442   7.7134   9.1589   14.238   9.3539   85.844   31.475  104.178   31.773 -18.33347 44.72353 
1 1 1   -1    8   22 o  323.715   12.013  135.913   10.073  138.939   14.031  132.694   14.471  326.667   16.637  319.121   17.573 7.545288 24.19932 
1 1 1   -1    8   23 o  609.351   10.508  481.468   16.587  482.341   23.595  480.615   23.321  609.537   14.944  608.460   14.797 1.077271 21.03036 
1 1 1   -1    8   24 f  258.018   12.835   86.392   8.5782   92.538   12.203   80.387   12.061  266.210   17.799  247.893   18.926 18.31783 25.98101 
1 1 1   -1    8   25 o  152.044   19.547   30.582   7.5201   20.995   10.389   41.133   10.899  124.156   32.076  175.835   24.603 -51.67896 40.42543 
1 1 1   -1    8   26 o  564.955   10.801  414.112   15.806  395.266   22.076  433.936   22.642  551.439   15.455  577.828   15.127 -26.38867 21.62617 
1 1 1   -1    8   27 o  402.453   13.177  210.408   13.737  202.804   16.371  228.500   25.252  394.830   16.007  417.395   23.451 -22.56464 28.39278 
1 1 1   -1    8   28 o  160.939   24.421   34.689   9.8611   29.509   12.493   43.250   16.061  146.462   33.639  177.382   36.181 -30.92033 49.40323 
1 1 1   -1    8   29 o  161.656   18.678   34.569   7.6773   37.462   10.250   30.872   11.588  167.217   24.381  150.090   30.837 17.12773 39.31086 
1 1 1   -1    8   30 o  675.184   10.710  592.370   18.731  578.282   26.533  606.367   26.447  665.945   15.381  682.046   14.970 -16.10120 21.46358 
1 1 1   -1    8   31 o  118.432   25.983   19.293   7.7517   26.145   11.391   13.384   10.579  136.896   32.593  101.934   34.086 34.96194 47.16093 
1 1 1   -1    8   32 o  449.686   15.611  264.720   18.184   0.0000   0.0000  264.720   18.184  ?   ?   449.686   15.611 0.000000 15.61137 
1 1 1   -1    8   33 o  182.657   16.530   44.183   7.7364   52.865   10.696   34.658   11.204  198.645   21.111  158.094   28.402 40.55074 35.38863 
1 1 1   -1    8   34 f  402.154   10.542  210.919   10.982  216.692   16.107  205.904   15.013  406.066   15.313  396.078   14.633 9.988220 21.18047 
1 1 1   -1    8   35 o  294.328   12.732  113.492   9.7072  125.499   14.082  102.621   13.399  307.374   17.762  277.448   18.755 29.92551 25.83111 
1 1 1   -1    8   36 o  150.832   20.658   30.989   7.8592   25.785   11.255   35.941   10.979  132.911   32.875  159.862   27.505 -26.95052 42.86361 
1 1 1   -1    8   37 o  368.902   22.532  185.300   21.428   0.0000   0.0000  185.300   21.428  ?   ?   368.902   22.532 0.000000 22.53217 
1 1 1   -1    8   38 o  215.520   15.645   62.085   8.6743   64.367   12.438   59.925   12.103  215.949   22.569  208.154   22.822 7.794540 32.09698 
1 1 1   -1    8   39 o   98.922   26.676   14.310   6.9917   13.153   10.984   15.098   9.0655   96.599   34.600  100.845   31.369 -4.246681 46.70319 
1 1 1   -1    8   40 o   69.121   26.949   5.0529   6.9603   5.0399   10.465   5.0632   9.3209   77.483   32.032   74.914   30.516 2.569145 44.24171 
1 1 1   -1    8   41 o  155.505   20.028   33.773   7.8800   35.988   11.228   31.624   11.062  154.812   29.067  143.805   30.634 11.00650 42.22952 
1 1 1   -1    8   42 o   77.842   28.230   8.2662   7.3389   0.4760   11.126   14.266   9.7642   70.198   31.045   96.121   32.745 -25.92255 45.12197 
1 1 1   -1    8   43 o   98.083   28.976   15.041   7.8722   8.7343   11.259   21.075   11.012   83.557   33.718  112.463   34.506 -28.90555 48.24477 
1 1 1   -1    8   44 o   88.141   29.304   12.208   7.8213  -6.6703   11.380   29.109   10.767   60.422   28.409  133.331   31.650 -72.90971 42.53032 
1 1 1   -1    8   45 o   55.249   26.033  -6.1715   9.6494  -9.8921   11.907   0.9476   16.470   57.935   27.754   77.543   35.670 -19.60815 45.19585 
1 1 1   -1    8   46 o   59.643   28.135  -5.7223   11.327 -26.9000   16.802   11.920   15.335   57.519   28.625   87.487   37.592 -29.96865 47.24932 
1 1 1   -1    8   47 o  125.741   31.827   27.979   10.376   50.020   17.496   16.022   12.886  152.494   42.633   91.844   36.404 60.65021 56.06154 
1 1 1   -1    8   48 o   62.358   29.342  -3.2334   12.181   0.0000   0.0000  -3.2334   12.181  ?   ?    62.358   29.342 0.000000 29.34248 
1 1 1   -1    8   49 o  101.080   31.557   19.615   9.1648   18.577   13.277   20.560   12.666   91.473   36.721   96.027   36.637 -4.553574 51.87188 
1 1 1   -1    9    1 o  1905.76   21.710  4720.29  107.170  4563.76  126.469  5119.00  201.844  1872.45   26.075  1976.72   39.420 -104.2759 47.26381 
1 1 1   -1    9    2 o  934.120   12.952  1131.54   31.339  1116.35   37.970  1164.00   55.508  927.547   15.803  946.205   22.648 -18.65863 27.61637 
1 1 1   -1    9    3 o  520.604   9.0717  351.242   12.233  358.488   17.468  344.267   17.138  525.783   12.826  515.248   12.841 10.53485 18.14904 
1 1 1   -1    9    4 o  692.290   13.932  621.653   24.983  621.653   24.983   0.0000   0.0000  692.290   13.932  ?   ?  0.000000 13.93156 
1 1 1   -1    9    5 o  101.744   15.341   13.732   3.9173   18.322   5.6366   9.4447   5.4481  117.247   19.226   84.156   23.884 33.09155 30.66038 
1 1 1   -1    9    6 o  189.176   15.473   46.752   7.5156   46.752   7.5156   0.0000   0.0000  189.176   15.473  ?   ?  0.000000 15.47258 
1 1 1   -1    9    7 o  215.902   10.529   60.431   5.8884   65.305   8.2752   55.433   8.3806  223.889   14.345  206.051   15.823 17.83788 21.35700 
1 1 1   -1    9    8 o  367.134   8.8843  174.702   8.4488  173.200   17.246  175.177   9.6915  365.105   18.235  367.588   10.178 -2.483063 20.88359 
1 1 1   -1    9    9 o  213.045   10.452   58.854   5.7682   55.370   11.988   59.903   6.5799  204.924   22.980  214.572   11.885 -9.648071 25.87169 
1 1 1   -1    9   10 o  165.967   11.607   35.909   4.9584   35.300   10.599   36.079   5.6102  162.421   26.074  166.211   13.138 -3.789719 29.19666 
1 1 1   -1    9   11 o  218.216   10.500   61.776   5.9352   64.736   8.5460   59.019   8.2493  222.699   14.901  212.572   15.080 10.12717 21.19960 
1 1 1   -1    9   12 o  392.454   9.3001  199.828   9.4542  205.765   13.536  194.173   13.211  397.895   13.133  386.518   13.195 11.37698 18.61673 
1 1 1   -1    9   13 o  489.642   9.3253  311.228   11.827  312.250   16.864  310.238   16.593  489.863   13.290  488.312   13.118 1.551300 18.67376 
1 1 1   -1    9   14 o  231.252   10.679   69.500   6.3967   64.203   9.2690   74.317   8.8388  221.176   16.294  238.373   14.382 -17.19722 21.73310 
1 1 1   -1    9   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    9   16 o  302.037   14.090  118.680   11.024  123.000   14.996  113.600   16.261  306.356   18.991  293.873   21.512 12.48300 28.69481 
1 1 1   -1    9   17 o  172.752   20.336   39.445   8.9258   28.480   15.320   45.080   10.982  144.135   39.747  184.257   23.549 -40.12158 46.19923 
1 1 1   -1    9   18 o  796.947   10.742  823.782   22.176  802.396   31.034  846.097   31.700  785.955   15.243  807.086   15.163 -21.13141 21.50076 
1 1 1   -1    9   19 o  1111.86   12.748  1603.89   36.714  1627.70   52.660  1581.36   51.212  1119.09   18.166  1103.10   17.923 15.99146 25.51962 
1 1 1   -1    9   20 o  638.056   10.311  527.830   17.042  522.179   24.338  533.266   23.870  634.277   14.813  641.016   14.376 -6.738647 20.64218 
1 1 1   -1    9   21 o  445.223   11.001  257.034   12.687  236.388   18.426  275.644   17.494  426.640   16.673  460.848   14.655 -34.20786 22.19830 
1 1 1   -1    9   22 o  771.359   11.207  771.611   22.391  768.442   31.784  774.733   31.550  769.260   15.951  772.425   15.769 -3.165405 22.42942 
1 1 1   -1    9   23 o  469.827   10.232  286.232   12.452  284.343   17.482  288.178   17.741  467.997   14.421  471.134   14.537 -3.137146 20.47660 
1 1 1   -1    9   24 o  363.407   10.968  171.307   10.324  191.781   15.389  154.550   13.923  384.218   15.463  344.905   15.584 39.31332 21.95353 
1 1 1   -1    9   25 o  600.013   14.957  467.781   23.246   0.0000   0.0000  467.781   23.246  ?   ?   600.013   14.957 0.000000 14.95695 
1 1 1   -1    9   26 o  579.122   10.702  435.188   16.053  417.825   22.296  453.879   23.133  566.913   15.183  590.875   15.114 -23.96271 21.42356 
1 1 1   -1    9   27 o   74.678   35.377 -21.0500   18.263   0.0000   0.0000 -21.0500   18.263  ?   ?    74.678   35.377 0.000000 35.37672 
1 1 1   -1    9   28 o  118.538   26.296   19.181   7.8630   17.922   10.803   20.600   11.466  115.161   33.923  122.795   34.579 -7.633842 48.44016 
1 1 1   -1    9   29 o  317.758   12.342  131.292   10.158  126.877   14.157  135.978   14.585  311.242   17.633  322.262   17.538 -11.02029 24.86923 
1 1 1   -1    9   30 o  261.383   13.354   89.215   9.0111   82.159   13.293   95.213   12.257  249.336   20.772  269.245   17.672 -19.90862 27.27220 
1 1 1   -1    9   31 o  266.731   12.786   92.738   8.8343   89.005   13.443   95.576   11.721  259.330   20.170  269.635   16.867 -10.30447 26.29283 
1 1 1   -1    9   32 o   94.781   28.065   12.294   7.3780   16.830   10.194   7.3046   10.692  110.214   33.070   86.887   33.533 23.32748 47.09651 
1 1 1   -1    9   33 o  253.177   13.505   84.124   8.8246   73.759   11.901   96.784   13.153  235.243   19.712  269.959   18.929 -34.71623 27.32864 
1 1 1   -1    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    9   35 o  165.031   16.890   36.385   7.1183   36.659   11.704   36.224   8.9674  161.097   29.120  163.055   21.776 -1.957870 36.36164 
1 1 1   -1    9   36 o  108.967   30.633   17.153   9.0065   14.412   10.952   22.880   15.829  102.024   34.680  124.240   41.695 -22.21504 54.23238 
1 1 1   -1    9   37 o  118.538   39.476   21.070   14.191   0.0000   0.0000   21.070   14.191  ?   ?   118.538   39.476 0.000000 39.47572 
1 1 1   -1    9   38 o  238.011   13.532   75.185   8.3081   73.823   12.339   76.313   11.237  232.126   20.740  237.390   18.418 -5.263885 27.73755 
1 1 1   -1    9   39 o  154.458   18.583   32.741   7.2856   29.114   9.5836   37.708   11.214  141.194   27.190  160.654   27.964 -19.45992 39.00398 
1 1 1   -1    9   40 o   50.874   22.532  -1.0700   5.8824  -5.7104   7.5281   6.2057   9.4263   50.243   23.455   77.291   30.971 -27.04884 38.85070 
1 1 1   -1    9   41 o   83.723   26.199   10.274   6.3129   4.9433   8.6263   16.421   9.2632   72.256   29.387  102.736   31.669 -30.47988 43.20313 
1 1 1   -1    9   42 o  143.634   22.604   29.776   8.1319   40.901   11.442   18.422   11.559  164.789   27.795  106.010   35.630 58.77850 45.18904 
1 1 1   -1    9   43 o  113.552   27.265   19.948   7.9184   23.706   11.642   16.712   10.802  117.867   35.335  100.552   34.440 17.31483 49.34227 
1 1 1   -1    9   44 o  169.469   20.475   41.381   8.8060   26.544   12.694   55.146   12.226  121.048   37.032  191.095   25.324 -70.04720 44.86291 
1 1 1   -1    9   45 o   96.208   41.068   16.670   18.088   0.0000   0.0000   16.670   18.088  ?   ?    96.208   41.068 0.000000 41.06806 
1 1 1   -1    9   46 f   73.731   32.181   5.3929   11.601  -2.3290   15.389   15.560   17.658   70.680   33.169   92.235   39.985 -21.55507 51.95172 
1 1 1   -1    9   47 o   73.313   29.261   7.9369   8.3782   14.619   12.735   2.8376   11.125   88.462   35.803   68.188   30.542 20.27345 47.06067 
1 1 1   -1    9   48 o   82.814   30.278   12.261   8.4673   16.090   12.540   9.0519   11.479   89.131   35.720   76.663   32.720 12.46745 48.44114 
1 1 1   -1    9   49 o   47.212   22.539  -5.6599   7.7071 -16.0179   11.204   3.6436   10.619   48.400   23.963   65.782   29.621 -17.38203 38.10051 
1 1 1   -1   10    1 o  705.684   13.971  646.013   25.538  646.013   25.538   0.0000   0.0000  705.684   13.971  ?   ?  0.000000 13.97084 
1 1 1   -1   10    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   10    3 o  492.812   12.759  314.982   16.287  314.982   16.287   0.0000   0.0000  492.812   12.759  ?   ?  0.000000 12.75864 
1 1 1   -1   10    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   10    5 o  356.928   9.0121  165.123   8.3321  161.999   11.816  168.212   11.751  353.398   12.908  360.123   12.597 -6.725220 18.03627 
1 1 1   -1   10    6 o  406.632   9.0489  214.325   9.5312  221.293   13.592  207.582   13.370  413.030   12.704  400.020   12.903 13.00989 18.10731 
1 1 1   -1   10    7 o  108.260   17.203   15.600   4.6628   19.456   7.5030   13.175   5.9515  119.976   24.956   98.610   23.613 21.36554 34.35637 
1 1 1   -1   10    8 o  409.219   9.2925  217.107   9.8500  235.848   14.066  199.073   13.798  426.326   12.737  391.628   13.602 34.69846 18.63447 
1 1 1   -1   10    9 o  398.162   10.889  205.655   11.230  203.800   19.887  206.524   13.607  395.671   19.404  398.854   13.171 -3.182953 23.45186 
1 1 1   -1   10   10 o  379.860   9.4158  187.157   9.2647  192.500   20.246  185.741   10.420  383.665   20.446  378.344   10.632 5.320709 23.04489 
1 1 1   -1   10   11 o  828.250   12.604  891.490   27.040  897.700   47.122  888.442   33.017  828.279   21.963  826.136   15.429 2.142944 26.84082 
1 1 1   -1   10   12 o  363.331   11.342  171.576   10.674  169.200   20.042  172.516   12.612  358.506   21.684  364.076   13.373 -5.569733 25.47633 
1 1 1   -1   10   13 o  413.671   9.2402  222.214   9.9012  227.258   14.581  217.900   13.487  417.722   13.476  409.154   12.726 8.567902 18.53510 
1 1 1   -1   10   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   10   15 o  154.106   16.149   31.283   6.3505   27.726   7.1908   43.890   13.537  144.336   19.752  179.860   30.122 -35.52373 36.02026 
1 1 1   -1   10   16 o  531.609   18.445  368.300   25.400   0.0000   0.0000  368.300   25.400  ?   ?   531.609   18.445 0.000000 18.44534 
1 1 1   -1   10   17 o  377.629   9.9043  184.943   9.6882  185.065   13.891  184.828   13.519  377.484   14.206  377.270   13.834 0.2141724 19.82907 
1 1 1   -1   10   18 o  624.947   10.033  506.405   16.241  497.801   22.959  515.021   22.977  619.254   14.313  629.896   14.082 -10.64276 20.07948 
1 1 1   -1   10   19 o  454.537   9.8202  267.847   11.562  258.447   16.429  277.072   16.275  446.248   14.213  462.089   13.597 -15.84079 19.66934 
1 1 1   -1   10   20 o  1298.50   14.254  2188.17   47.943  2205.02   68.248  2171.76   67.364  1302.15   20.234  1292.32   20.124 9.829834 28.53730 
1 1 1   -1   10   21 o  549.737   10.568  391.858   15.048  397.339   21.108  386.193   21.459  553.269   14.728  545.414   15.189 7.854187 21.15718 
1 1 1   -1   10   22 o  877.736   11.501  999.292   26.148  994.486   37.083  1004.04   36.876  874.958   16.362  879.180   16.193 -4.221985 23.01999 
1 1 1   -1   10   23 o  472.583   10.703  289.666   13.102  301.380   19.280  279.615   17.859  481.672   15.453  464.005   14.859 17.66638 21.43778 
1 1 1   -1   10   24 o  106.606   26.503   15.446   7.2872   15.098   10.559   15.761   10.070  107.705   33.913  109.039   32.903 -1.333923 47.25090 
1 1 1   -1   10   25 o  525.035   10.581  357.654   14.390  359.293   20.708  356.123   20.012  525.744   15.206  523.474   14.758 2.269714 21.19032 
1 1 1   -1   10   26 o  599.653   12.807  467.090   19.892  463.599   24.465  473.900   34.172  596.946   15.822  602.304   21.903 -5.358215 27.01974 
1 1 1   -1   10   27 o  184.866   33.479   46.590   15.441   0.0000   0.0000   46.590   15.441  ?   ?   184.866   33.479 0.000000 33.47853 
1 1 1   -1   10   28 o  168.096   19.376   37.404   8.2822   40.866   11.727   33.958   11.699  174.197   26.852  157.809   29.709 16.38768 40.04565 
1 1 1   -1   10   29 o  294.081   13.066  112.564   9.9530  109.570   14.165  115.485   13.988  288.736   19.046  296.624   18.295 -7.887573 26.40952 
1 1 1   -1   10   30 o  570.531   10.866  423.349   16.058  426.459   22.997  420.389   22.432  571.377   15.538  567.381   15.263 3.995911 21.78057 
1 1 1   -1   10   31 o  132.902   22.148   23.954   7.3562   33.057   11.083   16.785   9.8352  154.745   28.706  110.160   32.344 44.58447 43.24536 
1 1 1   -1   10   32 o  523.278   14.500  358.615   19.654   0.0000   0.0000  358.615   19.654  ?   ?   523.278   14.500 0.000000 14.50022 
1 1 1   -1   10   33 o  186.441   16.826   46.171   8.0385   52.986   11.401   39.434   11.336  197.941   22.643  168.928   26.801 29.01276 35.08545 
1 1 1   -1   10   34 o  182.579   17.491   44.493   8.1710   29.690   11.193   61.382   11.956  144.178   30.900  213.039   21.981 -68.86131 37.92054 
1 1 1   -1   10   35 o  205.072   16.518   56.011   8.6998   61.430   12.506   50.929   12.110  212.122   23.135  192.150   24.918 19.97180 34.00221 
1 1 1   -1   10   36 o  308.842   26.143  132.200   20.718   0.0000   0.0000  132.200   20.718  ?   ?   308.842   26.143 0.000000 26.14270 
1 1 1   -1   10   37 o  213.468   16.702   61.151   9.1614   76.564   11.132   28.800   16.127  238.257   18.175  134.680   41.831 103.5764 45.60872 
1 1 1   -1   10   38 o  157.060   19.061   33.836   7.5958   21.665   10.009   50.364   11.664  119.678   31.760  188.976   24.397 -69.29801 40.04950 
1 1 1   -1   10   39 o  261.800   13.338   91.276   9.0147   99.151   13.456   84.863   12.143  268.815   19.456  248.945   18.973 19.87015 27.17566 
1 1 1   -1   10   40 o  154.969   20.021   33.548   7.8490   31.262   11.849   35.336   10.477  141.218   32.989  154.686   27.138 -13.46788 42.71700 
1 1 1   -1   10   41 o   77.172   28.969   7.7538   7.8432   11.206   11.162   4.3873   11.023   89.640   34.347   76.200   32.277 13.43949 47.13284 
1 1 1   -1   10   42 o   77.032   28.250   8.1781   7.3789   14.342   11.471   3.8270   9.6375   95.637   35.200   71.392   30.207 24.24550 46.38398 
1 1 1   -1   10   43 o  120.741   27.773   22.798   8.5052   27.864   12.301   18.158   11.773  126.562   35.876  102.861   35.915 23.70084 50.76403 
1 1 1   -1   10   44 o   57.039   25.703  -1.0600   8.0119  -3.7575   12.208   0.9810   10.619   64.830   30.133   67.087   29.959 -2.257149 42.49129 
1 1 1   -1   10   45 o   60.168   28.082  -4.0154   10.781   0.0000   0.0000  -4.0154   10.781  ?   ?    60.168   28.082 0.000000 28.08248 
1 1 1   -1   10   46 o   65.705   28.389   3.6514   8.8422   23.845   12.444 -16.9426   12.566  109.086   36.967   52.953   26.058 56.13288 45.22782 
1 1 1   -1   10   47 o   62.631   27.533   2.6108   8.6280   9.2012   12.171  -4.0472   12.233   78.273   33.557   61.763   29.167 16.51028 44.46071 
1 1 1   -1   10   48 o   72.498   29.622   8.2210   8.8159   12.391   12.218   3.6915   12.733   81.573   34.235   69.619   31.777 11.95373 46.70962 
1 1 1   -1   10   49 o   70.187   28.588   8.0884   8.1786   10.820   11.006   4.7204   12.221   76.399   32.301   68.330   31.166 8.069115 44.88496 
1 1 1   -1   11    1 o  929.046   11.250  1119.25   27.074  1125.63   38.441  1112.96   38.139  931.120   15.938  925.870   15.902 5.250549 22.51470 
1 1 1   -1   11    2 o  1569.31   16.023  3197.71   65.134  3225.07   92.913  3171.27   91.335  1573.98   22.789  1560.87   22.590 13.11499 32.08836 
1 1 1   -1   11    3 o  1066.53   17.335  1477.69   47.891   0.0000   0.0000  1477.69   47.891  ?   ?   1066.53   17.335 0.000000 17.33535 
1 1 1   -1   11    4 o  854.331   10.839  946.477   23.986  953.669   34.107  939.439   33.738  857.037   15.364  850.626   15.312 6.411316 21.69091 
1 1 1   -1   11    5 o  879.083   10.998  1002.23   25.043  983.287   34.852  1022.45   36.007  870.163   15.463  887.289   15.667 -17.12622 22.01208 
1 1 1   -1   11    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   11    7 o  235.643   10.759   72.029   6.5670   77.657   9.1702   66.104   9.4088  244.086   14.570  224.939   16.258 19.14713 21.83123 
1 1 1   -1   11    8 o  260.576   10.688   88.098   7.2141   94.042   10.165   82.068   10.240  268.614   14.665  250.737   15.847 17.87701 21.59180 
1 1 1   -1   11    9 o  175.277   13.605   40.169   6.1285   41.787   8.5733   38.478   8.7640  178.036   18.878  170.529   20.235 7.507095 27.67440 
1 1 1   -1   11   10 o  245.498   13.610   78.645   8.6212   93.600   16.386   72.921   10.138  265.937   24.048  235.910   16.698 30.02718 29.27644 
1 1 1   -1   11   11 o  177.722   13.431   41.354   6.1375   59.650   14.694   37.488   6.7549  210.601   27.600  168.823   15.624 41.77765 31.71575 
1 1 1   -1   11   12 o  175.958   15.025   40.674   6.7824   57.740   15.432   36.588   7.5507  206.343   29.731  166.326   17.802 40.01714 34.65371 
1 1 1   -1   11   13 o  394.263   10.107  201.938   10.322  163.400   21.024  214.178   11.849  351.645   23.212  405.887   11.270 -54.24222 25.80289 
1 1 1   -1   11   14 o  933.990   13.424  1134.81   32.476  1160.62   40.448  1088.00   54.481  943.467   16.551  910.594   23.098 32.87280 28.41521 
1 1 1   -1   11   15 o  347.764   19.186  158.200   17.216   0.0000   0.0000  158.200   17.216  ?   ?   347.764   19.186 0.000000 19.18562 
1 1 1   -1   11   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   11   17 o  332.860   10.006  143.667   8.6273  138.405   12.318  148.734   12.087  326.492   14.565  338.500   13.785 -12.00775 20.05417 
1 1 1   -1   11   18 o  102.442   20.948   14.151   5.3712   12.417   8.5767   15.270   6.8896   97.815   30.526  106.114   25.403 -8.298706 39.71313 
1 1 1   -1   11   19 o  427.966   10.652  237.489   11.809  246.446   17.030  229.194   16.389  435.707   15.089  420.182   15.058 15.52502 21.31713 
1 1 1   -1   11   20 o  448.731   15.813  261.468   18.380   0.0000   0.0000  261.468   18.380  ?   ?   448.731   15.813 0.000000 15.81267 
1 1 1   -1   11   21 o  645.896   10.903  541.028   18.242  531.721   25.931  550.147   25.668  639.869   15.645  650.908   15.224 -11.03967 21.82955 
1 1 1   -1   11   22 o  615.790   10.416  491.773   16.615  467.356   23.711  515.326   23.288  599.851   15.260  629.996   14.271 -30.14563 20.89319 
1 1 1   -1   11   23 o  396.354   10.977  203.799   11.270  201.278   16.120  206.210   15.761  393.547   15.814  398.384   15.273 -4.837494 21.98511 
1 1 1   -1   11   24 o  272.434   12.871   96.371   9.0830   88.225   12.493  105.505   13.229  259.639   18.701  284.137   18.068 -24.49780 26.00381 
1 1 1   -1   11   25 o  196.830   16.803   50.785   8.4850   63.575   13.066   41.458   11.158  219.314   23.360  176.234   25.156 43.08055 34.32920 
1 1 1   -1   11   26 o  792.440   23.199  822.000   47.619   0.0000   0.0000  822.000   47.619  ?   ?   792.440   23.199 0.000000 23.19868 
1 1 1   -1   11   27 o  356.295   16.806  165.481   15.510   0.0000   0.0000  165.481   15.510  ?   ?   356.295   16.806 0.000000 16.80550 
1 1 1   -1   11   28 o  149.879   21.978   30.074   8.2789   38.294   12.120   22.884   11.336  167.829   28.924  128.616   33.641 39.21309 44.36541 
1 1 1   -1   11   29 f  253.245   14.537   83.906   9.4958   84.853   13.409   82.953   13.449  253.403   20.607  250.455   20.923 2.947479 29.36651 
1 1 1   -1   11   30 o  171.431   27.440   40.099   11.774   0.0000   0.0000   40.099   11.774  ?   ?   171.431   27.440 0.000000 27.44016 
1 1 1   -1   11   31 o  301.185   12.772  118.433   9.9645  107.191   13.938  130.185   14.251  284.554   19.020  314.186   17.581 -29.63287 25.90073 
1 1 1   -1   11   32 o  128.547   22.747   22.648   7.2970   27.265   9.7128   16.665   11.056  139.744   27.811  109.632   34.722 30.11220 44.48649 
1 1 1   -1   11   33 o  294.557   11.894  113.457   9.0752   96.153   12.856  130.643   12.812  268.727   18.583  314.962   15.704 -46.23462 24.33047 
1 1 1   -1   11   34 o  167.151   17.290   37.385   7.3778   23.892   11.458   46.942   9.6429  127.912   33.999  186.445   20.295 -58.53296 39.59528 
1 1 1   -1   11   35 o  135.710   27.015   26.132   9.1628   22.210   10.769   36.420   17.441  122.936   33.087  153.086   42.484 -30.14996 53.84797 
1 1 1   -1   11   36 f   67.245   31.341  -9.2670   13.352   0.0000   0.0000  -9.2670   13.352  ?   ?    67.245   31.341 0.000000 31.34053 
1 1 1   -1   11   37 o   45.501   21.434  -6.3544   6.5319  -2.2599   8.7971 -11.3853   9.7513   60.761   27.191   52.830   25.258 7.930382 37.11210 
1 1 1   -1   11   38 o  257.615   13.465   88.312   8.9540   82.740   13.136   93.148   12.238  244.779   20.918  261.778   18.160 -16.99947 27.70095 
1 1 1   -1   11   39 o  221.318   15.682   66.146   8.9319   50.890   12.604   81.536   12.660  186.829   26.813  242.561   20.336 -55.73259 33.65265 
1 1 1   -1   11   40 o   47.742   22.490  -6.3690   7.1932   7.0718   10.222 -19.5555   10.124   79.944   32.175   46.544   22.996 33.40003 39.54781 
1 1 1   -1   11   41 o  114.495   24.011   19.361   6.8936   23.075   9.7194   15.601   9.7789  120.780   30.931   99.199   32.757 21.58185 45.05270 
1 1 1   -1   11   42 o   99.013   26.980   15.179   7.1084   17.172   8.9678   11.811   11.660  103.127   31.035   89.554   34.889 13.57335 46.69499 
1 1 1   -1   11   43 f   45.044   21.655  -8.5867   7.3923  -8.5638   10.252  -8.6115   10.669   54.950   26.167   56.147   26.725 -1.197552 37.40265 
1 1 1   -1   11   44 o  142.735   32.138   34.592   11.596   62.710   16.012   3.5770   16.817  191.881   33.431   79.957   36.504 111.9241 49.49909 
1 1 1   -1   11   45 o   95.194   40.666   17.940   17.760   0.0000   0.0000   17.940   17.760  ?   ?    95.194   40.666 0.000000 40.66591 
1 1 1   -1   11   46 o   78.130   29.766   9.9734   8.3530   17.421   12.891   4.5829   10.967   93.494   36.613   70.367   30.986 23.12620 47.96457 
1 1 1   -1   11   47 o   72.760   29.548   8.0765   8.7048  -8.5104   12.730   22.646   11.930   58.296   28.124  103.836   36.160 -45.54030 45.80904 
1 1 1   -1   11   48 o   71.954   29.263   8.4014   8.5531   6.1981   13.091   10.043   11.298   72.073   32.631   76.355   32.522 -4.281456 46.06991 
1 1 1   -1   11   49 o   82.507   39.557   19.210   24.292   19.210   24.292   0.0000   0.0000   82.507   39.557  ?   ?  0.000000 39.55688 
1 1 1   -1   12    1 o  655.806   9.7500  557.667   16.563  556.636   23.301  558.719   23.547  654.826   13.737  656.036   13.857 -1.210938 19.51207 
1 1 1   -1   12    2 o  344.804   9.2698  154.145   8.2793  132.948   11.265  179.048   12.210  320.023   13.589  371.440   12.690 -51.41696 18.59301 
1 1 1   -1   12    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   12    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   12    5 o  129.329   15.854   22.067   5.1998   30.374   7.3668   13.820   7.3405  151.532   19.199  101.060   27.367 50.47202 33.42979 
1 1 1   -1   12    6 f  409.137   9.5194  217.131   10.089  216.066   14.312  218.182   14.223  407.814   13.549  409.820   13.398 -2.006104 19.05466 
1 1 1   -1   12    7 o  402.369   9.4444  210.053   9.8435  215.798   14.537  205.188   13.377  407.433   13.774  397.372   12.996 10.06128 18.93734 
1 1 1   -1   12    8 o  262.382   11.099   89.426   7.5434   92.608   11.075   86.672   10.302  266.096   16.145  257.491   15.519 8.604584 22.39384 
1 1 1   -1   12    9 o  215.874   13.192   60.876   7.3413   57.230   10.525   64.332   10.245  208.158   19.757  221.140   18.043 -12.98225 26.75541 
1 1 1   -1   12   10 o   98.502   25.956   13.295   6.7156   9.0500   11.209   15.672   8.3875   92.773   34.670  106.854   29.387 -14.08139 45.44882 
1 1 1   -1   12   11 o  148.676   15.870   29.182   6.0174   12.840   14.801   32.418   6.5862  107.654   39.917  156.681   16.475 -49.02715 43.18292 
1 1 1   -1   12   12 o  502.815   9.9404  328.401   12.947  286.900   25.871  342.266   14.954  467.512   21.364  513.110   11.251 -45.59796 24.14519 
1 1 1   -1   12   13 o  190.842   22.322   48.361   10.826   0.0000   0.0000   48.361   10.826  ?   ?   190.842   22.322 0.000000 22.32191 
1 1 1   -1   12   14 o  156.921   27.168   33.230   10.643   0.0000   0.0000   33.230   10.643  ?   ?   156.921   27.168 0.000000 27.16774 
1 1 1   -1   12   15 o  284.350   13.382  104.996   9.8568   64.270   18.663  120.751   11.608  218.427   34.100  304.854   14.700 -86.42632 37.13373 
1 1 1   -1   12   16 f  381.315   9.9353  188.543   9.8133  175.383   13.671  202.533   14.095  367.526   14.360  394.989   13.776 -27.46344 19.89960 
1 1 1   -1   12   17 o  457.563   10.094  271.461   11.964  256.567   16.834  286.663   17.007  444.561   14.618  469.959   13.971 -25.39847 20.22062 
1 1 1   -1   12   18 o  423.266   10.716  232.312   11.749  235.432   17.024  229.474   16.235  425.822   15.434  420.435   14.908 5.386810 21.45779 
1 1 1   -1   12   19 o  487.367   11.111  308.035   14.027  295.757   19.645  320.805   20.036  477.230   15.892  497.056   15.561 -19.82507 22.24212 
1 1 1   -1   12   20 o  1029.79   12.455  1375.86   33.223  1397.35   47.863  1355.87   46.153  1036.87   17.821  1021.43   17.444 15.43213 24.93726 
1 1 1   -1   12   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   12   22 o  157.580   16.555   32.632   6.6565   32.492   9.4062   32.772   9.4212  156.003   24.050  156.702   23.973 -0.6984558 33.95727 
1 1 1   -1   12   23 o  376.413   11.401  183.868   11.117  177.632   15.732  190.087   15.711  369.583   16.433  382.375   15.862 -12.79160 22.83935 
1 1 1   -1   12   24 o  262.777   14.427   90.018   9.7827   91.404   14.211   88.769   13.487  263.857   20.965  260.134   20.173 3.723602 29.09470 
1 1 1   -1   12   25 o  353.279   18.928  163.221   17.258  115.500   27.588  193.900   22.120  292.565   37.249  384.449   22.309 -91.88412 43.41852 
1 1 1   -1   12   26 o  386.487   21.384  196.000   21.324   0.0000   0.0000  196.000   21.324  ?   ?   386.487   21.384 0.000000 21.38382 
1 1 1   -1   12   27 o  264.951   19.011   92.227   12.961   92.227   12.961   0.0000   0.0000  264.951   19.011  ?   ?  0.000000 19.01143 
1 1 1   -1   12   28 o  328.692   16.786  141.500   14.244   0.0000   0.0000  141.500   14.244  ?   ?   328.692   16.786 0.000000 16.78563 
1 1 1   -1   12   29 o  317.038   17.167  131.994   14.046   0.0000   0.0000  131.994   14.046  ?   ?   317.038   17.167 0.000000 17.16721 
1 1 1   -1   12   30 f   54.948   24.282  -1.8596   6.7936   4.2160   9.8349  -7.4042   9.3953   78.161   31.524   57.403   26.595 20.75890 41.24370 
1 1 1   -1   12   31 o  154.476   19.988   32.078   7.8106   30.134   11.116   33.974   10.977  146.436   30.305  156.467   28.117 -10.03113 41.33938 
1 1 1   -1   12   32 o  205.098   15.392   55.620   8.1177   61.937   11.066   48.259   11.945  214.999   20.104  187.719   25.201 27.28044 32.23755 
1 1 1   -1   12   33 o  131.327   23.308   23.844   7.6384   18.672   10.669   29.283   10.940  113.973   33.751  143.180   30.436 -29.20685 45.44692 
1 1 1   -1   12   34 o  156.683   20.389   33.394   8.0791   29.635   11.519   37.033   11.335  142.845   31.933  161.941   28.036 -19.09607 42.49421 
1 1 1   -1   12   35 o   61.396   28.940 -10.8886   11.945   2.2830   19.545 -18.7400   15.090   95.129   41.639   64.178   30.875 30.95181 51.83735 
1 1 1   -1   12   36 o  149.861   21.082   31.027   7.9573   32.124   10.665   29.650   11.951  148.835   28.704  140.412   33.353 8.423004 44.00403 
1 1 1   -1   12   37 o   73.303   27.888   6.1377   7.3262   14.552   10.188  -2.8726   10.543   99.499   33.450   65.354   29.464 34.14503 44.57574 
1 1 1   -1   12   38 f  166.339   19.114   38.183   8.0861   52.529   11.237   22.775   11.645  192.968   22.929  119.834   35.198 73.13428 42.00736 
1 1 1   -1   12   39 o   51.862   22.959  -0.9494   6.0998   0.4385   7.7991  -3.1359   9.7888   60.855   26.477   61.634   28.027 -0.7793808 38.55597 
1 1 1   -1   12   40 o  212.655   14.949   61.221   8.1822   58.235   11.776   64.008   11.377  201.640   22.955  213.211   20.868 -11.57137 31.02269 
1 1 1   -1   12   41 o   53.220   24.362  -3.1548   7.5550   3.3221   10.408 -10.3697   10.985   72.112   30.976   56.248   26.868 15.86409 41.00540 
1 1 1   -1   12   42 o   55.672   25.377  -2.4733   8.0869  -8.5657   11.933   2.7007   10.997   60.073   28.498   71.479   31.262 -11.40606 42.30171 
1 1 1   -1   12   43 o   88.649   31.506   12.863   9.0905   40.750   15.695  -1.2142   11.151  145.758   40.246   65.267   29.770 80.49176 50.05951 
1 1 1   -1   12   44 o   93.322   40.384   15.650   17.948   0.0000   0.0000   15.650   17.948  ?   ?    93.322   40.384 0.000000 40.38377 
1 1 1   -1   12   45 o   46.155   22.397 -10.0165   8.3752 -13.7226   11.166  -5.2500   12.663   51.474   25.172   62.229   29.473 -10.75506 38.75956 
1 1 1   -1   12   46 o   59.446   25.904   2.3367   7.4890  -3.5956   9.9839   9.9688   11.324   57.046   26.754   78.739   32.998 -21.69223 42.48101 
1 1 1   -1   12   47 o   58.050   25.777   1.6514   7.7471   3.8200   9.7442  -2.0745   12.772   65.497   29.005   63.400   29.898 2.096607 41.65514 
1 1 1   -1   12   48 o   89.304   29.476   15.226   7.9186   14.538   10.143   16.301   12.672   84.042   32.597   85.356   35.265 -1.314163 48.02278 
1 1 1   -1   13    1 o  319.915   9.6967  132.770   8.0354  130.433   11.288  135.170   11.441  316.826   13.755  322.533   13.694 -5.707092 19.40937 
1 1 1   -1   13    2 o  408.355   13.208  216.646   13.971   0.0000   0.0000  216.646   13.971  ?   ?   408.355   13.208 0.000000 13.20786 
1 1 1   -1   13    3 o  531.180   9.5444  366.064   13.132  383.571   19.064  350.256   18.116  543.255   13.548  519.137   13.472 24.11774 19.10564 
1 1 1   -1   13    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   13    5 o  456.350   9.6624  270.302   11.422  272.328   16.355  268.373   15.958  457.547   13.799  454.246   13.563 3.301117 19.34855 
1 1 1   -1   13    6 o  429.918   9.7877  239.986   10.900  241.805   15.559  238.234   15.274  430.987   13.937  427.816   13.783 3.170807 19.60144 
1 1 1   -1   13    7 o  115.823   19.770   18.052   5.7183   19.238   7.7780   16.657   8.4358  118.458   26.057  110.062   29.133 8.395844 39.08585 
1 1 1   -1   13    8 o   61.269   23.932   3.0516   5.4968   0.3476   7.4116   6.3568   8.1944   62.205   26.414   79.014   29.621 -16.80898 39.68734 
1 1 1   -1   13    9 o  176.526   15.059   40.953   6.8200   40.321   9.3781   41.663   9.9360  173.901   21.262  176.587   22.214 -2.686417 30.74934 
1 1 1   -1   13   10 o  103.572   25.404   14.730   6.7637   5.0623   9.7702   23.628   9.3727   80.342   31.745  130.985   28.440 -50.64316 42.62131 
1 1 1   -1   13   11 o  115.228   23.519   18.077   6.7823   13.540   12.344   20.038   8.1173  105.369   36.777  120.911   26.637 -15.54233 45.40973 
1 1 1   -1   13   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   13   13 o   75.292   26.644   6.4798   6.4946   22.240   16.565   3.6170   7.0598  130.760   42.607   68.825   27.052 61.93461 50.46900 
1 1 1   -1   13   14 o  581.122   10.213  438.043   15.374  435.700   32.533  438.716   17.445  578.019   21.729  581.443   11.583 -3.423706 24.62316 
1 1 1   -1   13   15 f  246.917   27.544   80.660   17.317   80.660   17.317   0.0000   0.0000  246.917   27.544  ?   ?  0.000000 27.54401 
1 1 1   -1   13   16 o  681.581   10.678  602.439   18.852  642.800   40.475  591.258   21.303  702.540   22.242  675.096   12.182 27.44379 25.35948 
1 1 1   -1   13   17 o  464.768   10.444  280.095   12.573  261.694   17.685  298.906   17.880  448.946   15.207  479.868   14.385 -30.92157 20.93275 
1 1 1   -1   13   18 o  583.723   11.034  441.883   16.683  430.065   23.431  454.034   23.760  575.474   15.719  591.313   15.512 -15.83972 22.08423 
1 1 1   -1   13   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   13   20 o  199.300   23.366   52.487   11.834   52.487   11.834   0.0000   0.0000  199.300   23.366  ?   ?  0.000000 23.36624 
1 1 1   -1   13   21 o  359.096   11.619  167.318   10.808  169.594   15.545  165.190   15.036  361.181   16.616  356.487   16.283 4.693451 23.26411 
1 1 1   -1   13   22 o  193.693   14.873   49.038   7.4050   45.905   12.057   50.935   9.3833  185.612   25.773  196.930   18.615 -11.31834 31.79247 
1 1 1   -1   13   23 o  475.025   15.462  293.436   19.025   0.0000   0.0000  293.436   19.025  ?   ?   475.025   15.462 0.000000 15.46213 
1 1 1   -1   13   24 o  320.677   15.340  133.786   12.743  121.839   15.490  158.800   22.412  304.957   19.714  347.198   25.090 -42.24142 31.90849 
1 1 1   -1   13   25 o  116.557   37.808   17.690   13.049   0.0000   0.0000   17.690   13.049  ?   ?   116.557   37.808 0.000000 37.80830 
1 1 1   -1   13   26 o  344.242   11.363  153.978   10.132  151.634   14.326  156.324   14.332  341.039   16.217  346.305   15.977 -5.266754 22.76497 
1 1 1   -1   13   27 o  173.811   17.440   39.865   7.7459   30.394   12.000   46.629   10.142  148.230   32.177  187.333   21.277 -39.10335 38.57570 
1 1 1   -1   13   28 o  215.242   15.494   60.821   8.5806   52.289   12.670   68.050   11.662  197.165   25.398  226.751   20.063 -29.58531 32.36641 
1 1 1   -1   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   13   30 o  378.974   15.510  188.381   15.226   0.0000   0.0000  188.381   15.226  ?   ?   378.974   15.510 0.000000 15.51035 
1 1 1   -1   13   31 o  400.181   11.178  209.038   11.587  197.975   16.821  219.029   15.985  387.573   16.755  408.320   15.113 -20.74695 22.56441 
1 1 1   -1   13   32 o  273.045   16.597   98.816   11.683   0.0000   0.0000   98.816   11.683  ?   ?   273.045   16.597 0.000000 16.59739 
1 1 1   -1   13   33 o  128.958   21.864   22.918   7.0425   22.121   11.029   23.466   9.1512  123.000   33.644  128.270   28.301 -5.270744 43.96433 
1 1 1   -1   13   34 o   84.991   29.753   9.3990   8.0826   7.8614   9.0925   15.190   17.645   82.723   31.164  110.505   42.957 -27.78230 53.07095 
1 1 1   -1   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   13   36 o  162.901   19.997   36.517   8.2606   36.267   11.524   36.782   11.847  157.311   29.361  158.037   30.038 -0.7258301 42.00441 
1 1 1   -1   13   37 o  152.049   20.085   32.104   7.7169   29.353   10.301   35.621   11.649  140.244   29.301  154.240   30.238 -13.99615 42.10608 
1 1 1   -1   13   38 o   87.958   26.958   11.416   6.7232   8.5969   10.052   13.699   9.0437   83.344   32.416   95.302   31.503 -11.95805 45.20189 
1 1 1   -1   13   39 o  224.592   15.141   68.265   8.7569   65.036   12.965   70.975   11.875  212.538   23.969  225.007   20.603 -12.46928 31.60656 
1 1 1   -1   13   40 o   59.289   25.881   0.4617   7.5051  -3.8130   10.754   4.5204   10.479   62.847   28.878   74.598   31.527 -11.75100 42.75349 
1 1 1   -1   13   41 o   84.436   29.194   10.842   7.7698   2.6469   10.929   19.218   11.048   71.594   31.242  106.434   34.802 -34.84055 46.76804 
1 1 1   -1   13   42 o   66.286   27.378   4.2695   7.6340  -4.6360   10.809   13.132   10.783   60.636   28.240   90.076   33.937 -29.44027 44.15021 
1 1 1   -1   13   43 o   85.853   31.623   12.131   9.2608   1.4050   14.303   19.875   12.152   73.746   33.667  102.947   36.445 -29.20102 49.61535 
1 1 1   -1   13   44 o  104.927   37.760   22.344   13.096   0.0000   0.0000   22.344   13.096  ?   ?   104.927   37.760 0.000000 37.75965 
1 1 1   -1   13   45 o  106.362   31.131   20.505   9.1240   16.591   13.105   24.188   12.711   91.213   36.529  107.394   37.328 -16.18188 52.22791 
1 1 1   -1   13   46 o   95.268   31.886   17.332   9.2574   24.740   13.401   10.570   12.803  104.750   38.123   79.394   34.233 25.35660 51.23684 
1 1 1   -1   13   47 o   74.031   29.563   9.4372   8.5559   13.998   13.141   6.0804   11.273   82.528   35.111   69.922   31.069 12.60615 46.88339 
1 1 1   -1   13   48 o   88.105   31.092   15.993   8.8383   7.7795   13.087   22.881   11.984   71.421   32.450   97.343   35.953 -25.92211 48.43158 
1 1 1   -1   14    1 o  216.255   11.972   60.995   6.6800   55.859   9.3446   66.363   9.5526  206.041   17.680  224.917   16.512 -18.87602 24.19151 
1 1 1   -1   14    2 o  412.477   9.6166  220.938   10.275  222.513   14.676  219.423   14.390  413.382   13.706  410.529   13.532 2.852722 19.26036 
1 1 1   -1   14    3 o  131.129   25.635   23.454   8.3953   0.0000   0.0000   23.454   8.3953  ?   ?   131.129   25.635 0.000000 25.63523 
1 1 1   -1   14    4 o  423.953   9.8502  233.500   10.817  226.350   15.258  240.726   15.338  416.737   14.135  429.835   13.776 -13.09769 19.73722 
1 1 1   -1   14    5 o  495.759   9.8074  319.333   12.594  324.127   18.204  314.931   17.443  498.623   14.094  491.588   13.698 7.035004 19.65405 
1 1 1   -1   14    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   14    7 f  385.026   10.266  192.693   10.239  190.428   14.873  194.734   14.116  381.971   15.032  386.444   14.102 -4.472137 20.61157 
1 1 1   -1   14    8 o  556.387   10.124  402.275   14.591  405.376   20.887  399.319   20.392  557.562   14.462  553.443   14.224 4.119690 20.28520 
1 1 1   -1   14    9 o  126.062   19.811   21.305   6.2558   25.333   8.9881   17.520   8.7124  136.261   26.419  112.816   29.485 23.44524 39.58953 
1 1 1   -1   14   10 o  102.805   33.537   13.642   10.262   0.0000   0.0000   13.642   10.262  ?   ?   102.805   33.537 0.000000 33.53706 
1 1 1   -1   14   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   14   12 o   53.038   21.624   1.3628   4.6854  -9.0310   12.250   3.1438   5.0709   66.862   30.759   60.159   23.127 6.702713 38.48350 
1 1 1   -1   14   13 o  129.994   19.244   22.469   6.2842   34.760   15.136   19.909   6.9077  159.174   37.353  121.609   22.766 37.56503 43.74381 
1 1 1   -1   14   14 o  694.477   10.583  625.509   19.038  610.600   37.832  630.565   22.031  684.713   21.330  697.121   12.201 -12.40784 24.57331 
1 1 1   -1   14   15 o  920.206   11.934  1098.50   28.447  1019.00   55.401  1126.96   33.151  884.047   24.193  931.806   13.735 -47.75909 27.81984 
1 1 1   -1   14   16 o  518.977   12.729  349.462   17.112  376.000   34.025  340.476   19.798  537.021   24.460  512.088   14.926 24.93225 28.65445 
1 1 1   -1   14   17 o  334.806   13.753  145.488   11.927  120.700   23.594  153.997   13.824  302.206   30.560  344.360   15.497 -42.15451 34.26482 
1 1 1   -1   14   18 o  631.491   25.077  520.300   41.020  520.300   41.020   0.0000   0.0000  631.491   25.077  ?   ?  0.000000 25.07695 
1 1 1   -1   14   19 o  116.494   25.089   18.391   7.3470   16.347   10.343   20.472   10.438  110.997   33.313  122.714   32.371 -11.71674 46.45033 
1 1 1   -1   14   20 o  654.345   10.567  555.408   17.911  530.264   25.063  581.650   25.604  638.836   15.146  669.127   14.772 -30.29041 21.15719 
1 1 1   -1   14   21 o  220.507   15.290   63.502   8.6796   48.252   12.415   78.081   12.139  190.350   25.849  244.075   19.359 -53.72563 32.29441 
1 1 1   -1   14   22 o  213.079   15.480   59.353   8.4858   57.096   12.805   61.121   11.331  207.544   24.278  215.499   20.548 -7.955261 31.80620 
1 1 1   -1   14   23 o  411.266   11.801  219.649   12.572  223.869   18.057  215.679   17.514  414.627   16.812  406.998   16.613 7.628601 23.63553 
1 1 1   -1   14   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   14   25 o  366.988   16.291  175.585   15.486   0.0000   0.0000  175.585   15.486  ?   ?   366.988   16.291 0.000000 16.29067 
1 1 1   -1   14   26 o  344.954   11.598  154.717   10.363  152.246   14.252  157.489   15.095  341.571   16.108  347.291   16.780 -5.720062 23.25996 
1 1 1   -1   14   27 o  160.993   19.827   34.516   8.0936   30.516   11.859   38.003   11.073  148.278   31.828  167.400   26.413 -19.12144 41.36041 
1 1 1   -1   14   28 f  151.901   20.029   30.883   7.6888   42.257   11.948   22.845   10.045  176.094   27.060  127.856   30.714 48.23846 40.93439 
1 1 1   -1   14   29 o  158.148   18.937   33.427   7.6034   41.190   10.948   26.194   10.568  173.979   25.013  136.500   30.639 37.47845 39.55267 
1 1 1   -1   14   30 o  196.776   16.599   51.331   8.3815   41.292   12.284   60.075   11.465  172.406   28.502  211.530   21.210 -39.12405 35.52800 
1 1 1   -1   14   31 o  127.461   22.490   22.366   7.1538   23.723   9.8672   20.862   10.387  128.917   30.096  120.382   32.535 8.534668 44.32025 
1 1 1   -1   14   32 o  137.065   23.250   25.984   7.9595   33.181   11.743   19.869   10.825  152.114   30.859  116.946   33.818 35.16760 45.78193 
1 1 1   -1   14   33 o   66.749   26.694   3.5822   6.9872   11.003   9.7270  -4.3297   10.043   91.825   32.595   62.820   28.498 29.00486 43.29632 
1 1 1   -1   14   34 o  280.186   23.064  107.829   16.591   62.640   24.137  148.300   22.842  194.745   48.125  325.202   27.371 -130.4564 55.36435 
1 1 1   -1   14   35 o  173.110   21.374   41.418   9.3806   35.687   11.942   50.650   15.158  155.497   30.739  184.425   32.938 -28.92749 45.05299 
1 1 1   -1   14   36 o   75.675   25.664   7.7924   5.9978   15.245   9.0247   1.8961   8.0271  100.864   31.286   65.109   27.559 35.75523 41.69318 
1 1 1   -1   14   37 o  105.163   26.573   16.466   7.2415   20.232   10.679   13.261   9.8527  113.282   33.817   94.602   32.865 18.67912 47.15614 
1 1 1   -1   14   38 o   78.026   28.644   8.1651   7.5891   3.2805   10.862   12.824   10.608   74.112   31.735   93.035   33.909 -18.92312 46.44261 
1 1 1   -1   14   39 o  177.819   18.726   44.081   8.4958   39.994   11.945   48.266   12.086  161.148   29.710  179.938   26.744 -18.78935 39.97422 
1 1 1   -1   14   40 o   79.143   27.507   9.1768   6.9023  -2.1670   9.0820   24.689   10.620   59.667   27.080  122.389   32.824 -62.72212 42.55255 
1 1 1   -1   14   41 o   75.948   29.042   7.9371   7.9702   7.8640   13.808   7.9736   9.7604   83.535   35.776   78.413   31.482 5.122284 47.65497 
1 1 1   -1   14   42 o   65.431   28.441   2.5473   8.9819  -9.8330   14.407   10.419   11.488   63.698   30.519   83.703   33.961 -20.00463 45.65891 
1 1 1   -1   14   43 o   72.153   31.357   5.0260   10.914  -1.5726   13.258   18.900   19.225   67.756   31.462   96.494   41.776 -28.73726 52.29828 
1 1 1   -1   14   44 o   42.041   20.890 -16.8055   8.8108 -20.6600   13.922 -14.2300   11.380   53.514   26.534   51.432   25.206 2.081825 36.59806 
1 1 1   -1   14   45 o   52.227   24.226  -2.5378   7.8304   5.7346   10.582 -12.5492   11.641   70.445   30.742   52.715   25.762 17.73025 40.10931 
1 1 1   -1   14   46 o   53.688   24.973  -2.1984   8.4103  -0.4957   11.132  -4.4625   12.837   61.783   28.736   60.918   29.084 0.8647270 40.88548 
1 1 1   -1   14   47 o   44.723   22.297 -17.7730   10.389   0.0000   0.0000 -17.7730   10.389  ?   ?    44.723   22.297 0.000000 22.29697 
1 1 1   -1   15    1 o  195.660   13.125   50.105   6.6133   57.208   9.3681   43.049   9.3372  208.324   17.523  179.891   20.399 28.43280 26.89183 
1 1 1   -1   15    2 o  328.112   10.511  139.979   8.9334  136.662   12.375  143.589   12.910  323.587   14.764  331.641   15.028 -8.053497 21.06673 
1 1 1   -1   15    3 o  343.827   10.456  153.700   9.3121  148.878   13.276  158.370   13.065  337.673   15.178  348.398   14.477 -10.72470 20.97545 
1 1 1   -1   15    4 o  187.523   14.214   46.120   6.8530   35.786   10.056   55.081   9.3639  162.814   24.613  204.340   17.871 -41.52643 30.41669 
1 1 1   -1   15    5 f  227.160   12.742   67.402   7.4674   83.659   11.241   54.561   9.9903  252.320   17.303  203.128   19.215 49.19228 25.85816 
1 1 1   -1   15    6 o  138.888   18.680   25.694   6.5498   21.180   9.5692   29.674   8.9841  123.732   30.136  148.186   24.244 -24.45409 38.67793 
1 1 1   -1   15    7 o  303.409   11.180  119.646   8.7867  130.667   12.988  110.346   11.931  316.116   15.913  290.429   15.921 25.68646 22.50961 
1 1 1   -1   15    8 o  350.652   22.280  161.800   20.132   0.0000   0.0000  161.800   20.132  ?   ?   350.652   22.280 0.000000 22.28020 
1 1 1   -1   15    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   15   10 o  328.056   14.279  139.892   12.134  142.116   14.682  135.100   21.553  329.936   17.239  319.980   26.235 9.955719 31.39167 
1 1 1   -1   15   11 o  321.160   12.075  133.883   10.045  135.435   14.373  132.400   14.046  322.185   17.285  318.572   17.083 3.613037 24.30247 
1 1 1   -1   15   12 o  346.096   11.389  155.404   10.210  155.919   14.144  154.844   14.754  346.395   15.763  345.144   16.503 1.250732 22.82134 
1 1 1   -1   15   13 f  1025.62   12.444  1364.95   33.058  1564.00   74.116  1315.52   36.936  1094.33   26.146  1006.60   14.166 87.73596 29.73730 
1 1 1   -1   15   14 o  645.042   12.729  539.901   21.269  426.300   35.740  602.192   26.465  571.782   24.131  680.987   15.003 -109.2051 28.41490 
1 1 1   -1   15   15 o  1100.15   13.142  1570.67   37.451  1575.00   77.587  1569.36   42.762  1098.09   27.277  1099.36   15.017 -1.275146 31.13771 
1 1 1   -1   15   16 o  381.689   14.894  189.173   14.726  212.800   31.068  182.327   16.724  402.152   30.041  374.555   17.237 27.59656 34.63526 
1 1 1   -1   15   17 o  497.261   11.722  320.790   15.099  329.700   34.817  318.726   16.757  501.622   26.894  495.559   13.054 6.062988 29.89431 
1 1 1   -1   15   18 o  307.195   13.590  122.521   10.814  168.100   26.639  113.528   11.833  357.131   29.048  295.191   15.530 61.94006 32.93914 
1 1 1   -1   15   19 o  950.117   12.361  1171.75   30.422  1184.00   63.128  1168.04   34.720  951.615   25.610  948.291   14.135 3.324402 29.25165 
1 1 1   -1   15   20 o  299.634   15.874  117.069   12.276  100.500   25.629  122.003   13.985  273.235   37.176  305.647   17.740 -32.41199 41.19209 
1 1 1   -1   15   21 o  378.159   11.127  185.616   10.900  175.118   15.811  195.123   15.046  366.817   16.641  387.379   14.995 -20.56219 22.39991 
1 1 1   -1   15   22 o  330.385   12.573  141.810   10.760  137.899   15.379  145.559   15.059  324.722   18.359  333.794   17.477 -9.072388 25.34788 
1 1 1   -1   15   23 o  577.514   22.286  436.700   33.339   0.0000   0.0000  436.700   33.339  ?   ?   577.514   22.286 0.000000 22.28646 
1 1 1   -1   15   24 o  401.477   20.538  211.500   21.287   0.0000   0.0000  211.500   21.287  ?   ?   401.477   20.538 0.000000 20.53774 
1 1 1   -1   15   25 o  260.471   13.731   88.592   9.2317   90.414   13.070   86.778   13.041  262.094   19.390  256.661   19.768 5.433411 27.68963 
1 1 1   -1   15   26 o  250.246   13.032   81.794   8.4186   82.832   11.785   80.713   12.030  250.827   18.264  247.434   18.914 3.392807 26.29234 
1 1 1   -1   15   27 o  221.415   15.250   64.396   8.6929   65.899   13.003   63.181   11.689  222.077   22.934  217.957   20.963 4.119904 31.07101 
1 1 1   -1   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   15   29 o  378.071   15.489  187.769   15.169   0.0000   0.0000  187.769   15.169  ?   ?   378.071   15.489 0.000000 15.48948 
1 1 1   -1   15   30 o  223.649   14.304   65.960   8.2433   49.872   12.462   78.474   10.991  190.323   25.956  242.957   17.584 -52.63353 31.35122 
1 1 1   -1   15   31 o  252.238   13.493   83.813   8.7838   82.902   13.483   84.485   11.578  247.833   21.208  251.668   17.876 -3.834625 27.73651 
1 1 1   -1   15   32 f   63.533   25.109   3.4331   6.1135   0.0387   9.7945   5.5996   7.8249   68.702   29.781   74.301   28.683 -5.598900 41.34794 
1 1 1   -1   15   33 o  130.615   27.860   24.566   9.1385   21.739   10.672   32.340   17.695  120.910   33.104  142.507   43.745 -21.59772 54.85879 
1 1 1   -1   15   34 o  121.664   34.055   22.470   11.157   0.0000   0.0000   22.470   11.157  ?   ?   121.664   34.055 0.000000 34.05518 
1 1 1   -1   15   35 o   40.567   19.542  -8.4982   6.0915 -12.4878   7.7929  -2.2315   9.7669   43.941   21.387   63.714   28.572 -19.77299 35.69019 
1 1 1   -1   15   36 o   96.492   28.483   13.935   7.6092   12.237   10.645   15.710   10.881   92.807   33.947  101.447   34.566 -8.639900 48.44790 
1 1 1   -1   15   37 o  109.850   27.800   18.317   7.9171   18.142   11.221   18.491   11.173  106.462   35.085  107.375   34.992 -0.9129944 49.55199 
1 1 1   -1   15   38 o   77.612   27.615   8.4416   6.9857   13.559   9.4965   2.4071   10.313   93.675   32.282   70.823   30.630 22.85224 44.50022 
1 1 1   -1   15   39 o   86.166   27.818   11.321   7.0706   25.197   10.163  -1.6972   9.8437  125.030   31.418   62.709   28.352 62.32096 42.31936 
1 1 1   -1   15   40 o   76.847   29.306   8.1432   8.1024   16.710   14.442   4.2078   9.7880   99.033   38.761   71.329   30.323 27.70387 49.21259 
1 1 1   -1   15   41 o  140.287   26.654   30.738   9.3315   46.170   14.681   20.276   12.088  161.887   35.946  105.322   36.413 56.56487 51.16659 
1 1 1   -1   15   42 o   72.532   28.619   7.3024   7.9299   13.352   10.146  -2.1943   12.712   88.152   32.977   66.355   30.810 21.79768 45.13029 
1 1 1   -1   15   43 o   95.888   35.290   17.868   11.530   0.0000   0.0000   17.868   11.530  ?   ?    95.888   35.290 0.000000 35.29025 
1 1 1   -1   15   44 o  119.624   33.381   27.226   10.736   24.878   13.422   31.400   17.891  106.106   38.222  109.539   43.061 -3.433449 57.57725 
1 1 1   -1   15   45 o   59.807   27.161   0.8242   9.1558 -14.6762   12.947   16.331   12.950   53.691   26.427   87.785   35.888 -34.09407 44.56847 
1 1 1   -1   15   46 f  109.962   31.122   23.417   9.2640   27.060   13.651   20.308   12.613  104.405   38.404   92.996   36.271 11.40914 52.82495 
1 1 1   -1   15   47 f   88.443   30.931   16.307   8.7337   11.104   12.115   21.936   12.602   74.753   32.750   92.795   36.238 -18.04214 48.84443 
1 1 1   -1   16    1 o  277.355   11.658  100.039   8.3752   94.812   11.689  105.554   12.006  268.897   16.867  283.869   16.398 -14.97247 23.52419 
1 1 1   -1   16    2 o  478.600   10.218  297.576   12.667  294.888   17.842  300.309   17.987  475.700   14.480  480.056   14.465 -4.355377 20.46720 
1 1 1   -1   16    3 o  480.039   11.747  299.619   14.607  384.800   26.811  263.667   17.418  542.282   19.087  449.776   14.951 92.50677 24.24541 
1 1 1   -1   16    4 o  324.764   12.663  137.182   10.653  135.800   17.538  137.990   13.410  321.229   21.197  325.320   15.913 -4.091400 26.50549 
1 1 1   -1   16    5 o  376.358   21.046  186.000   20.435   0.0000   0.0000  186.000   20.435  ?   ?   376.358   21.046 0.000000 21.04627 
1 1 1   -1   16    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   16    7 o  556.309   21.214  404.400   30.570  404.400   30.570   0.0000   0.0000  556.309   21.214  ?   ?  0.000000 21.21428 
1 1 1   -1   16    8 o  292.722   11.586  111.236   8.7847  115.117   12.147  106.980   12.720  297.067   15.843  286.152   17.241 10.91446 23.41466 
1 1 1   -1   16    9 f  383.121   11.201  190.472   11.116  193.281   15.705  187.651   15.736  385.576   15.724  379.894   15.991 5.681061 22.42686 
1 1 1   -1   16   10 o  342.300   11.272  152.019   9.9945  151.890   14.020  152.152   14.251  341.863   15.833  342.139   16.080 -0.2762146 22.56672 
1 1 1   -1   16   11 o  385.841   11.792  193.158   11.786  203.062   17.287  184.558   16.109  395.239   16.886  376.831   16.504 18.40744 23.61150 
1 1 1   -1   16   12 o  681.923   15.915  604.131   28.112  604.131   28.112   0.0000   0.0000  681.923   15.915  ?   ?  0.000000 15.91520 
1 1 1   -1   16   13 o  918.305   14.118  1094.77   33.583  1166.00   61.261  1064.17   40.155  945.313   25.018  904.873   17.132 40.44012 30.32174 
1 1 1   -1   16   14 o  810.526   13.760  852.766   28.889  980.000   56.991  808.770   33.513  866.554   25.390  788.968   16.399 77.58551 30.22531 
1 1 1   -1   16   15 o  705.553   13.490  646.168   24.655  666.400   48.323  639.048   28.667  714.337   26.115  701.369   15.779 12.96844 30.51213 
1 1 1   -1   16   16 o  431.464   13.048  241.640   14.583  264.400   28.720  233.733   16.927  449.372   24.769  424.163   15.407 25.20956 29.16979 
1 1 1   -1   16   17 o  192.550   19.971   48.797   9.8159   59.700   24.532   46.718   10.711  207.643   46.738  187.957   22.443 19.68588 51.84755 
1 1 1   -1   16   18 o  187.399   19.308   46.218   9.2382   76.830   21.724   39.460   10.207  238.639   36.288  172.281   23.484 66.35822 43.22395 
1 1 1   -1   16   19 o  107.126   32.809   15.174   9.9605  100.100   27.327   2.1618   10.696  271.747   40.020   77.948   32.318 193.7990 51.43955 
1 1 1   -1   16   20 o  436.237   12.002  247.121   13.563  236.000   30.793  249.797   15.107  422.882   28.275  438.461   13.301 -15.57974 31.24710 
1 1 1   -1   16   21 o   83.189   30.379   7.4628   8.5203   19.070   19.959   4.8763   9.4219  128.528   46.563   79.364   31.233 49.16462 56.06816 
1 1 1   -1   16   22 o  328.325   29.332  143.400   24.683   0.0000   0.0000  143.400   24.683  ?   ?   328.325   29.332 0.000000 29.33221 
1 1 1   -1   16   23 o  226.175   17.750   67.190   10.315   51.711   13.536   88.630   15.931  196.155   27.388  258.615   24.057 -62.45984 36.45285 
1 1 1   -1   16   24 o  250.919   14.632   82.332   9.4687   89.182   13.883   76.374   12.947  259.956   20.791  240.396   21.003 19.55946 29.55357 
1 1 1   -1   16   25 o   88.793   27.098   10.530   6.8020   6.1246   10.718   13.501   8.8019   85.080   33.366  100.283   30.863 -15.20261 45.45127 
1 1 1   -1   16   26 o  186.428   15.622   45.772   7.4742   44.634   9.9776   47.227   11.282  182.738   21.489  187.411   23.776 -4.672852 32.04816 
1 1 1   -1   16   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   16   28 o  111.109   26.466   17.279   7.5083   20.368   11.384   14.901   9.9886  119.628   34.706  104.103   33.007 15.52499 47.89486 
1 1 1   -1   16   29 o  116.201   23.782   18.770   6.9172   12.739   10.342   23.652   9.3045   98.125   33.696  129.266   28.550 -31.14095 44.16484 
1 1 1   -1   16   30 o  211.571   15.054   59.290   8.1962   55.974   11.480   62.738   11.705  202.918   22.204  215.353   21.261 -12.43509 30.74184 
1 1 1   -1   16   31 o  407.944   16.027  220.426   16.936   0.0000   0.0000  220.426   16.936  ?   ?   407.944   16.027 0.000000 16.02704 
1 1 1   -1   16   32 o  237.824   14.197   74.973   8.7062   79.749   12.223   70.056   12.403  242.841   19.599  226.603   21.384 16.23763 29.00675 
1 1 1   -1   16   33 o  272.488   31.234  107.700   21.648   0.0000   0.0000  107.700   21.648  ?   ?   272.488   31.234 0.000000 31.23429 
1 1 1   -1   16   34 o   58.100   25.541  -0.7290   7.4243   2.3232   9.1875  -6.4730   12.604   69.618   29.477   67.047   30.971 2.571442 42.75625 
1 1 1   -1   16   35 o  176.725   18.641   42.949   8.4044   48.731   11.966   37.320   11.807  183.718   25.860  157.673   30.005 26.04594 39.61122 
1 1 1   -1   16   36 o  122.004   25.456   21.992   7.7844   20.385   10.960   23.629   11.058  112.632   34.403  121.376   33.880 -8.743820 48.28467 
1 1 1   -1   16   37 f  171.682   17.621   40.752   7.7253   48.601   10.835   32.638   11.017  183.513   23.321  144.884   30.329 38.62875 38.25890 
1 1 1   -1   16   38 o  152.815   18.698   32.794   7.2471   22.763   11.144   40.145   9.5400  116.507   34.491  166.364   22.733 -49.85631 41.30878 
1 1 1   -1   16   39 o   72.307   28.762   6.2708   8.0695 -18.7400   13.201   21.192   10.196   55.370   27.139  112.339   32.918 -56.96865 42.66277 
1 1 1   -1   16   40 o   59.331   26.067   0.7780   7.7227   15.380   10.350 -17.5627   11.600   95.062   33.636   51.215   25.170 43.84649 42.01070 
1 1 1   -1   16   41 o   80.121   29.588   10.125   8.1164   19.972   10.902  -2.1214   12.157  104.327   34.593   65.541   30.325 38.78642 46.00318 
1 1 1   -1   16   42 o   73.950   31.555   6.7744   10.672   8.2607   13.037   3.7560   18.579   78.797   34.258   79.137   36.912 -0.3398666 50.35997 
1 1 1   -1   16   43 f   85.895   34.090   13.860   11.313  -0.5349   15.514   30.210   16.534   70.165   33.046  110.613   41.940 -40.44793 53.39505 
1 1 1   -1   16   44 o   96.215   30.692   17.403   8.6267   9.9362   11.414   27.352   13.175   77.126   32.765  109.976   38.016 -32.84969 50.18747 
1 1 1   -1   16   45 o   49.783   23.593  -4.4250   8.1394  -1.9856   10.636  -7.8730   12.645   58.560   27.512   57.117   27.670 1.443310 39.01971 
1 1 1   -1   16   46 o   93.641   30.483   17.654   8.4794   8.5233   12.957   24.494   11.214   72.158   32.585  103.311   35.092 -31.15349 47.88792 
1 1 1   -1   16   47 o   68.479   30.442   8.2421   10.834   45.780   22.580  -2.9832   12.348   99.278   44.050   57.733   27.813 41.54494 52.09560 
1 1 1   -1   17    1 o  458.264   20.618  274.400   24.475  274.400   24.475   0.0000   0.0000  458.264   20.618  ?   ?  0.000000 20.61847 
1 1 1   -1   17    2 o  380.646   21.923  190.100   21.525  190.100   21.525   0.0000   0.0000  380.646   21.923  ?   ?  0.000000 21.92315 
1 1 1   -1   17    3 f  548.270   15.228  391.078   21.626  416.900   31.268  367.400   29.942  564.854   21.371  530.166   21.803 34.68823 30.53027 
1 1 1   -1   17    4 o  639.203   12.151  530.614   20.120  518.323   24.608  555.400   34.944  631.300   15.048  652.286   20.682 -20.98560 25.57707 
1 1 1   -1   17    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   17    6 o  292.992   12.078  111.439   9.1667  110.461   12.659  112.517   13.291  290.902   16.873  293.511   17.562 -2.609406 24.35413 
1 1 1   -1   17    7 f  307.366   16.487  123.198   13.079   0.0000   0.0000  123.198   13.079  ?   ?   307.366   16.487 0.000000 16.48711 
1 1 1   -1   17    8 o  393.394   11.008  200.770   11.217  199.423   15.588  202.216   16.154  391.763   15.361  394.460   15.810 -2.696136 22.04310 
1 1 1   -1   17    9 o  519.047   11.005  349.480   14.795  361.632   21.592  338.724   20.314  527.551   15.801  510.614   15.359 16.93625 22.03545 
1 1 1   -1   17   10 o  526.544   15.449  360.159   21.071  360.159   21.071   0.0000   0.0000  526.544   15.449  ?   ?  0.000000 15.44925 
1 1 1   -1   17   11 o  239.014   21.417   74.994   13.119   0.0000   0.0000   74.994   13.119  ?   ?   239.014   21.417 0.000000 21.41662 
1 1 1   -1   17   12 o  115.000   30.980   17.915   9.4357  -1.2193   13.691   35.226   13.022   82.054   35.390  161.102   32.330 -79.04832 47.93376 
1 1 1   -1   17   13 o  331.297   16.109  142.615   13.824  127.654   19.490  157.763   19.612  311.870   24.318  347.293   21.913 -35.42319 32.73465 
1 1 1   -1   17   14 o  743.825   11.737  717.863   22.614  695.000   47.518  724.557   25.712  729.538   25.146  747.097   13.287 -17.55817 28.43991 
1 1 1   -1   17   15 o  616.586   11.305  493.264   18.055  440.800   38.676  507.884   20.417  580.728   25.711  625.523   12.601 -44.79437 28.63262 
1 1 1   -1   17   16 o  446.370   11.531  258.566   13.333  256.800   28.826  259.047   15.038  442.478   25.255  446.665   12.997 -4.186157 28.40304 
1 1 1   -1   17   17 o  115.768   29.543   18.272   8.8886   12.750   24.816   19.085   9.5203  127.304   50.501  118.310   30.774 8.993988 59.13843 
1 1 1   -1   17   18 o  428.955   12.175  238.933   13.528  202.500   29.483  248.648   15.225  391.423   29.291  437.465   13.436 -46.04236 32.22588 
1 1 1   -1   17   19 o  417.402   12.556  226.333   13.575  234.200   33.667  224.806   14.835  420.233   31.150  415.863   13.771 4.370148 34.05879 
1 1 1   -1   17   20 o  369.158   14.315  177.272   13.688  184.700   30.318  175.370   15.341  372.393   31.733  366.956   16.139 5.436707 35.60112 
1 1 1   -1   17   21 o  123.055   47.295   14.880   21.204   0.0000   0.0000   14.880   21.204  ?   ?   123.055   47.295 0.000000 47.29496 
1 1 1   -1   17   22 o  552.349   14.002  397.203   20.033  354.800   35.903  416.373   24.141  517.782   26.862  564.951   16.496 -47.16913 31.52269 
1 1 1   -1   17   23 o  267.819   15.877   93.932   10.965  104.500   27.595   91.950   11.949  275.037   39.898  264.649   17.530 10.38800 43.57909 
1 1 1   -1   17   24 o  481.064   13.283  301.593   16.552  277.800   33.723  309.144   18.998  455.726   28.714  486.616   15.072 -30.89026 32.42945 
1 1 1   -1   17   25 o  176.936   18.927   41.597   8.5402   42.612   12.499   40.707   11.697  176.484   28.296  172.808   27.015 3.676651 39.12136 
1 1 1   -1   17   26 o  204.086   15.962   54.952   8.3708   51.811   11.894   58.034   11.783  195.896   23.939  208.037   22.208 -12.14182 32.65357 
1 1 1   -1   17   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   17   28 o  188.133   15.909   46.961   7.6803   60.026   12.255   38.510   9.8561  210.394   22.854  167.885   23.292 42.50867 32.63161 
1 1 1   -1   17   29 o   70.994   27.217   5.0800   7.0113   4.8375   10.994   5.2462   9.1024   81.147   33.109   77.101   30.585 4.046257 45.07385 
1 1 1   -1   17   30 o  192.718   15.822   49.480   7.8287   45.293   10.707   54.290   11.476  181.400   23.327  199.139   22.651 -17.73923 32.51451 
1 1 1   -1   17   31 o   82.904   28.279   9.1702   7.2828   5.1867   10.946   12.335   9.7555   80.799   33.009   94.853   32.717 -14.05379 46.47594 
1 1 1   -1   17   32 o   66.859   30.550  -5.1178   11.810 -29.6300   21.808   5.0540   14.048   73.121   35.631   86.774   36.579 -13.65270 51.06424 
1 1 1   -1   17   33 o  117.669   29.341   20.626   8.9122   6.8210   11.984   37.710   13.331   84.695   34.563  157.266   33.736 -72.57111 48.29823 
1 1 1   -1   17   34 o   84.102   27.828   10.111   7.0563   4.6720   10.589   14.456   9.4637   76.947   32.050   98.065   32.217 -21.11799 45.44363 
1 1 1   -1   17   35 o   68.808   26.463   5.4345   6.6414   14.271   9.9824  -1.5834   8.8958   96.662   33.108   60.966   27.309 35.69563 42.91736 
1 1 1   -1   17   36 o   55.882   23.925   0.9977   6.1713   4.5689   9.8858  -1.2826   7.8996   73.687   30.853   57.691   25.796 15.99596 40.21600 
1 1 1   -1   17   37 o   76.884   27.047   8.4643   6.6830   21.180   10.226  -1.0164   8.8297  113.479   32.883   60.749   27.210 52.73059 42.68130 
1 1 1   -1   17   38 o   82.560   29.240   10.285   7.8236   11.630   11.379   9.0786   10.774   88.209   34.439   82.435   33.084 5.773903 47.75516 
1 1 1   -1   17   39 o  126.804   29.099   25.929   9.3553   26.580   14.408   25.454   12.301  117.374   39.778  118.379   36.495 -1.005569 53.98242 
1 1 1   -1   17   40 o   60.467   26.883   0.6048   8.4505  -3.8095   12.139   4.7551   11.771   63.823   29.792   73.923   32.336 -10.09951 43.96829 
1 1 1   -1   17   41 o   50.613   23.889  -5.3065   8.1875  -8.5350   11.356  -1.8118   11.815   56.346   27.023   64.174   29.764 -7.827991 40.20123 
1 1 1   -1   17   42 o   76.911   31.702   9.3333   10.209   0.0000   0.0000   9.3333   10.209  ?   ?    76.911   31.702 0.000000 31.70193 
1 1 1   -1   17   43 o   62.674   28.256   1.9583   9.6964   2.2281   12.141   1.4830   16.113   67.062   30.766   71.279   33.603 -4.216644 45.56014 
1 1 1   -1   17   44 o   77.796   31.149   11.201   9.5265   1.5911   13.614   20.420   13.335   67.116   31.402   92.996   36.979 -25.88003 48.51255 
1 1 1   -1   17   45 o   58.288   26.503   1.4887   8.7507   14.011   12.474 -10.6438   12.279   80.255   34.178   53.464   26.198 26.79118 43.06339 
1 1 1   -1   17   46 o   67.349   27.898   7.9246   7.9604   15.836   10.582  -2.3889   12.082   82.425   32.889   58.241   27.916 24.18440 43.13894 
1 1 1   -1   18    1 o  477.249   15.188  296.028   18.776   0.0000   0.0000  296.028   18.776  ?   ?   477.249   15.188 0.000000 15.18828 
1 1 1   -1   18    2 o  317.537   11.793  130.862   9.6996  129.325   13.517  132.493   13.927  314.910   16.630  318.714   16.930 -3.804504 23.73136 
1 1 1   -1   18    3 o  384.358   11.026  191.674   10.977  197.093   15.959  186.808   15.123  389.386   15.823  379.127   15.400 10.25912 22.07937 
1 1 1   -1   18    4 o  265.209   12.903   91.311   8.8639   91.381   12.240   91.235   12.854  264.413   17.977  264.072   18.917 0.3409119 26.09648 
1 1 1   -1   18    5 f   93.347   28.481   11.451   7.5149   17.372   11.390   6.8855   10.001  114.654   35.079   85.823   32.600 28.83060 47.88817 
1 1 1   -1   18    6 o  200.198   16.559   52.453   8.5099   52.837   12.938   52.160   11.297  199.505   25.629  198.792   22.326 0.7132874 33.98983 
1 1 1   -1   18    7 o  426.232   11.769  235.723   12.993  252.214   19.029  221.318   17.785  440.486   16.678  412.628   16.639 27.85770 23.55855 
1 1 1   -1   18    8 o  854.074   16.349  947.999   36.170   0.0000   0.0000  947.999   36.170  ?   ?   854.074   16.349 0.000000 16.34933 
1 1 1   -1   18    9 o  621.702   16.338  502.304   26.311  502.304   26.311   0.0000   0.0000  621.702   16.338  ?   ?  0.000000 16.33843 
1 1 1   -1   18   10 o  309.667   15.455  124.576   12.397  119.150   17.552  129.978   17.512  301.489   22.640  315.127   21.584 -13.63843 31.27986 
1 1 1   -1   18   11 o  464.779   12.955  280.390   15.597  285.799   22.552  275.430   21.594  468.702   18.575  460.171   18.116 8.531311 25.94679 
1 1 1   -1   18   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   18   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   18   14 o  601.644   15.900  470.605   24.780  470.605   24.780   0.0000   0.0000  601.644   15.900  ?   ?  0.000000 15.90029 
1 1 1   -1   18   15 o  154.649   24.024   31.983   9.3114   78.330   25.997   25.162   9.9730  238.851   43.627  135.918   29.198 102.9328 52.49632 
1 1 1   -1   18   16 o  270.369   14.892   95.327   10.389  124.400   27.216   90.368   11.241  304.774   35.117  263.002   16.585 41.77206 38.83646 
1 1 1   -1   18   17 o  691.791   11.666  621.422   20.905  622.400   45.678  621.163   23.512  688.971   25.595  691.411   13.128 -2.439514 28.76542 
1 1 1   -1   18   18 o  123.407   33.161   20.860   10.827   79.640   26.848   9.4449   11.832  239.562   44.916   95.632   35.643 143.9302 57.33995 
1 1 1   -1   18   19 o  706.353   13.939  649.047   25.505  591.600   45.977  674.583   30.653  670.540   26.471  719.494   16.447 -48.95410 31.16442 
1 1 1   -1   18   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   18   21 o  457.180   14.662  272.343   17.363  242.900   32.241  284.370   20.606  426.992   29.328  466.673   17.046 -39.68100 33.92189 
1 1 1   -1   18   22 o  381.168   13.178  189.217   13.011  163.000   31.210  194.732   14.314  346.351   35.280  386.493   14.298 -40.14221 38.06705 
1 1 1   -1   18   23 o  336.541   14.434  147.815   12.583  127.100   29.758  152.325   13.885  302.924   38.817  341.398   15.701 -38.47363 41.87279 
1 1 1   -1   18   24 f  119.063   30.584   19.809   9.4824   10.300   25.988   21.269   10.185  121.863   50.438  123.203   31.723 -1.339607 59.58434 
1 1 1   -1   18   25 o  177.440   19.173   42.003   8.6722   78.490   26.989   37.802   9.1579  230.365   46.825  167.560   21.603 62.80466 51.56784 
1 1 1   -1   18   26 o  338.531   15.410  150.576   13.513  112.000   29.268  161.026   15.234  277.402   42.050  349.605   16.822 -72.20316 45.28991 
1 1 1   -1   18   27 o  176.775   18.064   41.809   8.1552   39.915   11.701   43.598   11.372  169.172   27.659  177.902   25.399 -8.730515 37.55152 
1 1 1   -1   18   28 o  188.987   15.155   47.406   7.3564   40.341   10.044   55.582   10.805  171.424   23.216  202.640   20.884 -31.21532 31.22718 
1 1 1   -1   18   29 o  118.855   25.446   20.012   7.5977   27.161   11.515   14.500   10.111  135.783   33.050  101.407   33.300 34.37674 46.91684 
1 1 1   -1   18   30 o  180.044   17.306   43.615   7.9716   40.243   12.583   45.876   10.303  166.775   30.240  182.543   22.250 -15.76773 37.54382 
1 1 1   -1   18   31 o  163.905   46.066   44.880   20.370   0.0000   0.0000   44.880   20.370  ?   ?   163.905   46.066 0.000000 46.06582 
1 1 1   -1   18   32 o  162.169   29.255   38.630   11.837   0.0000   0.0000   38.630   11.837  ?   ?   162.169   29.255 0.000000 29.25528 
1 1 1   -1   18   33 o  124.409   22.723   22.109   7.0529   21.159   10.292   22.951   9.6843  116.677   32.727  122.643   30.587 -5.966415 44.79549 
1 1 1   -1   18   34 o  117.877   23.358   20.182   6.8798   5.6390   10.085   32.840   9.4089   76.883   31.579  150.019   25.099 -73.13612 40.33868 
1 1 1   -1   18   35 o   77.604   27.147   8.5309   6.7281   4.7190   10.104   11.568   9.0185   74.396   31.173   88.174   31.376 -13.77776 44.22926 
1 1 1   -1   18   36 o   57.753   25.021   0.8268   6.9060   7.4389   9.7781  -5.7541   9.7550   78.449   31.505   57.166   26.692 21.28270 41.29230 
1 1 1   -1   18   37 o  100.801   27.263   15.936   7.2901   13.140   9.5013   19.939   11.368   90.809   32.217  107.414   35.310 -16.60564 47.79882 
1 1 1   -1   18   38 o   58.364   26.496  -1.6640   8.7030 -11.3500   13.558   5.1242   11.350   61.113   29.367   75.083   32.303 -13.97005 43.65646 
1 1 1   -1   18   39 o   73.594   29.432   7.2471   8.4942  -3.9431   12.075   18.210   11.952   63.604   29.697   99.360   36.026 -35.75596 46.68857 
1 1 1   -1   18   40 f  104.250   30.095   18.890   8.5796   20.305   12.198   17.504   12.070  101.504   36.451   95.466   35.917 6.037727 51.17352 
1 1 1   -1   18   41 o   73.779   32.175   6.7563   11.574 -10.7100   15.580   28.270   17.291   62.571   30.405  106.452   42.178 -43.88110 51.99451 
1 1 1   -1   18   42 o  148.061   32.136   40.425   11.971   45.650   17.767   36.080   16.201  132.908   44.167  119.468   42.102 13.44061 61.01884 
1 1 1   -1   18   43 o  109.022   30.469   22.461   8.9377   18.412   12.040   27.431   13.339   90.868   35.440  107.115   38.154 -16.24668 52.07421 
1 1 1   -1   18   44 o   47.886   23.141  -7.2442   8.7073   8.3071   11.975 -24.6927   12.684   71.903   31.983   46.454   23.369 25.44980 39.61069 
1 1 1   -1   18   45 o   51.497   24.171  -1.9293   8.1776   4.9282   12.650  -6.8519   10.718   66.316   30.772   52.212   25.336 14.10458 39.86054 
1 1 1   -1   18   46 o   43.515   21.714 -15.2387   9.9477 -62.4300   22.913  -4.2776   11.043   49.566   25.470   53.642   25.956 -4.076309 36.36530 
1 1 1   -1   19    1 o  674.251   10.891  589.743   19.022  608.234   27.495  572.769   26.343  684.172   15.514  663.954   15.317 20.21814 21.80167 
1 1 1   -1   19    2 o  539.462   11.177  377.552   15.618  359.293   22.059  395.904   22.116  525.768   16.197  551.992   15.467 -26.22357 22.39631 
1 1 1   -1   19    3 o  868.077   11.725  977.779   26.365  1003.93   38.241  954.087   36.398  878.753   16.800  856.737   16.401 22.01514 23.47865 
1 1 1   -1   19    4 f  819.154   11.742  870.669   24.914  881.613   35.703  860.282   34.782  823.502   16.737  813.521   16.506 9.981750 23.50720 
1 1 1   -1   19    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   19    6 o  923.393   12.356  1106.56   29.553  1141.68   42.732  1074.36   40.916  936.955   17.607  908.958   17.378 27.99780 24.73847 
1 1 1   -1   19    7 o  744.689   11.987  719.617   23.123  701.805   32.644  737.554   32.758  734.679   17.154  753.221   16.790 -18.54169 24.00296 
1 1 1   -1   19    8 o  632.308   17.350  519.919   28.417   0.0000   0.0000  519.919   28.417  ?   ?   632.308   17.350 0.000000 17.35028 
1 1 1   -1   19    9 o  329.899   16.367  141.475   13.986  135.857   20.319  146.533   19.280  321.628   24.576  334.478   22.382 -12.85007 33.24028 
1 1 1   -1   19   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   19   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   19   12 o  1023.88   12.938  1361.32   34.314  1363.79   48.618  1358.86   48.437  1023.45   18.339  1021.61   18.304 1.837830 25.91042 
1 1 1   -1   19   13 o  464.000   18.031  280.354   21.672   0.0000   0.0000  280.354   21.672  ?   ?   464.000   18.031 0.000000 18.03111 
1 1 1   -1   19   14 o   65.880   28.963  -2.4182   9.5485  -4.5816   13.697  -0.3729   13.318   77.169   34.271   81.879   35.103 -4.710449 49.05783 
1 1 1   -1   19   15 o  627.628   14.114  512.122   22.946  556.300   41.018  491.998   27.684  651.719   24.298  614.570   17.390 37.14917 29.87952 
1 1 1   -1   19   16 o  301.098   16.084  118.376   12.499  116.500   30.502  118.754   13.703  292.200   41.462  301.335   17.632 -9.134735 45.05519 
1 1 1   -1   19   17 o  441.884   12.098  253.722   13.847  238.800   29.648  257.885   15.660  425.101   27.066  445.305   13.577 -20.20456 30.27990 
1 1 1   -1   19   18 o  635.604   27.986  533.300   46.076  533.300   46.076   0.0000   0.0000  635.604   27.986  ?   ?  0.000000 27.98559 
1 1 1   -1   19   19 o  425.673   19.527  237.100   21.531   0.0000   0.0000  237.100   21.531  ?   ?   425.673   19.527 0.000000 19.52725 
1 1 1   -1   19   20 o  138.462   28.452   26.316   9.8633   40.410   23.882   23.417   10.830  168.568   50.626  129.936   32.313 38.63181 60.05952 
1 1 1   -1   19   21 o  256.164   16.315   86.097   10.769   85.110   28.846   86.257   11.609  243.779   47.389  256.132   17.604 -12.35310 50.55289 
1 1 1   -1   19   22 o  319.751   15.133  133.606   12.534   96.440   30.139  141.378   13.782  259.015   46.636  328.709   16.187 -69.69418 49.36517 
1 1 1   -1   19   23 o  307.643   14.066  123.686   11.209  109.100   30.248  126.007   12.068  275.912   43.786  310.324   15.013 -34.41238 46.28812 
1 1 1   -1   19   24 o  142.008   27.030   27.952   9.5797   16.030   26.829   29.693   10.256  128.296   51.953  146.125   28.116 -17.82864 59.07331 
1 1 1   -1   19   25 o  195.021   20.229   51.033   10.070   47.260   27.017   51.642   10.852  173.058   54.207  195.662   21.782 -22.60347 58.41952 
1 1 1   -1   19   26 f  170.669   19.560   39.247   8.4912   74.770   28.667   35.831   8.8901  216.345   51.835  162.255   21.696 54.08939 56.19253 
1 1 1   -1   19   27 o  170.414   21.347   39.581   9.2162   57.570   28.334   37.453   9.7462  184.532   55.082  164.860   23.487 19.67221 59.88010 
1 1 1   -1   19   28 o   48.961   23.551 -11.9404   8.7722   32.340   24.353 -18.5427   9.4035  142.400   51.457   45.719   22.507 96.68166 56.16398 
1 1 1   -1   19   29 o  127.988   21.898   22.799   6.9989   16.057   9.3318   31.468   10.582  104.838   31.683  147.678   28.696 -42.83946 42.74643 
1 1 1   -1   19   30 o  216.260   18.560   63.409   10.296   71.835   13.085   49.710   16.684  227.994   22.448  179.832   37.049 48.16200 43.31885 
1 1 1   -1   19   31 o   72.812   30.621   3.1389   9.8076   0.0000   0.0000   3.1389   9.8076  ?   ?    72.812   30.621 0.000000 30.62127 
1 1 1   -1   19   32 o   42.492   20.241  -7.0179   6.1453 -10.1729   7.4050  -0.0376   11.014   44.429   21.438   70.125   30.957 -25.69611 37.65525 
1 1 1   -1   19   33 o  123.784   24.927   22.535   7.7160   17.836   11.029   27.041   10.799  105.757   34.781  131.162   32.055 -25.40527 47.29998 
1 1 1   -1   19   34 o   90.420   28.057   12.471   7.2570   17.059   10.161   7.6945   10.368  102.864   33.362   80.584   32.414 22.28033 46.51564 
1 1 1   -1   19   35 o   53.185   24.209  -2.5323   7.3267  -6.2083   10.689   0.7259   10.063   59.411   27.805   66.776   29.528 -7.365520 40.55904 
1 1 1   -1   19   36 o   63.384   25.993   3.7068   6.8191  -1.2133   8.8598   10.857   10.681   59.969   27.025   85.834   33.406 -25.86480 42.96883 
1 1 1   -1   19   37 o   85.427   31.346   11.519   9.0870   12.090   14.559   11.155   11.630   89.749   37.498   86.054   34.431 3.694656 50.90765 
1 1 1   -1   19   38 o   77.967   28.602   9.3454   7.5650   0.7961   9.7914   22.006   11.916   64.194   28.710  108.314   36.176 -44.11995 46.18410 
1 1 1   -1   19   39 o   84.694   30.303   12.183   8.4227   14.738   12.241   9.8852   11.607   89.805   35.518   80.618   33.565 9.187004 48.86860 
1 1 1   -1   19   40 o   93.904   33.377   16.943   10.202   10.364   12.470   30.260   17.742   80.102   34.144  108.929   42.862 -28.82722 54.79961 
1 1 1   -1   19   41 o   70.589   30.051   6.9237   9.6378   0.0000   0.0000   6.9237   9.6378  ?   ?    70.589   30.051 0.000000 30.05096 
1 1 1   -1   19   42 o   84.130   31.217   13.859   9.0555   25.651   12.980   2.6767   12.640  103.967   37.567   66.922   30.950 37.04462 48.67412 
1 1 1   -1   19   43 o   76.290   30.650   11.185   9.2586   19.965   13.163   2.5861   13.026   89.845   36.387   65.982   30.820 23.86314 47.68540 
1 1 1   -1   19   44 o   81.171   30.777   13.954   8.9033   13.961   12.421   13.948   12.769   78.050   33.685   77.869   33.879 0.1818695 47.77550 
1 1 1   -1   19   45 o   73.468   29.028   11.292   8.1686   6.9511   12.209   14.811   10.991   66.262   30.564   77.746   32.540 -11.48450 44.64362 
1 1 1   -1   20    1 o  371.678   14.197  179.421   13.668  162.107   20.119  194.260   18.626  351.896   22.186  386.354   18.611 -34.45813 28.95856 
1 1 1   -1   20    2 o  265.228   17.974   91.935   12.275   85.288   17.947   97.777   16.827  253.790   27.753  272.624   24.075 -18.83356 36.74015 
1 1 1   -1   20    3 o  777.333   12.137  784.209   24.438  805.255   35.364  764.971   33.811  786.846   17.351  766.974   17.019 19.87274 24.30401 
1 1 1   -1   20    4 o  568.492   12.710  419.527   18.716  434.960   27.615  406.415   25.454  578.125   18.440  558.955   17.581 19.17041 25.47784 
1 1 1   -1   20    5 o  430.457   13.024  240.565   14.522  252.898   21.142  229.549   19.982  440.807   18.516  419.982   18.368 20.82498 26.08091 
1 1 1   -1   20    6 o  520.328   12.069  351.396   16.267  347.505   23.861  354.774   22.235  516.794   17.824  522.351   16.433 -5.557373 24.24396 
1 1 1   -1   20    7 o  380.568   13.934  188.124   13.736  192.673   19.907  183.991   18.978  384.028   20.082  375.332   19.588 8.696320 28.05289 
1 1 1   -1   20    8 o  424.160   13.195  233.641   14.497  215.500   20.442  251.995   20.562  406.726   19.403  439.992   18.042 -33.26627 26.49520 
1 1 1   -1   20    9 o  566.469   11.721  416.515   17.198  395.501   24.171  438.061   24.476  551.336   16.925  580.343   16.282 -29.00604 23.48498 
1 1 1   -1   20   10 o  165.169   24.186   36.412   10.041   21.845   14.838   48.717   13.638  128.451   40.162  190.642   28.492 -62.19051 49.24180 
1 1 1   -1   20   11 o  340.155   14.663  150.425   12.920  150.574   18.767  150.291   17.813  338.924   21.488  338.805   20.393 0.1190796 29.62446 
1 1 1   -1   20   12 o  315.120   15.289  129.170   12.480  137.643   18.005  121.336   17.314  323.893   21.585  303.906   22.146 19.98752 30.92481 
1 1 1   -1   20   13 o  121.962   33.495   20.315   10.905   3.2990   15.078   38.982   15.792   92.388   38.343  168.057   37.255 -75.66914 53.46110 
1 1 1   -1   20   14 o  259.318   18.721   88.186   12.491   86.373   17.354   90.136   17.992  255.002   26.667  260.456   27.063 -5.453751 37.99421 
1 1 1   -1   20   15 o  402.306   13.835  210.535   14.418  205.373   21.574  214.701   19.381  395.654   21.127  405.582   18.448 -9.928070 28.04806 
1 1 1   -1   20   16 o  427.240   15.932  237.893   17.632  205.800   32.501  251.277   20.989  392.385   32.263  438.624   18.474 -46.23828 37.17747 
1 1 1   -1   20   17 o  284.869   31.878  109.200   23.119   0.0000   0.0000  109.200   23.119  ?   ?   284.869   31.878 0.000000 31.87758 
1 1 1   -1   20   18 o  444.753   15.011  257.898   17.294  209.500   35.114  273.396   19.871  393.829   34.779  457.547   16.766 -63.71780 38.60883 
1 1 1   -1   20   19 o  375.671   13.396  183.864   13.036  115.000   27.726  203.407   14.771  289.099   37.941  394.945   14.438 -105.8459 40.59533 
1 1 1   -1   20   20 f  259.504   16.543   88.452   11.062   98.980   30.126   86.811   11.893  263.388   45.820  256.747   17.997 6.640228 49.22756 
1 1 1   -1   20   21 o  396.824   12.767  205.357   13.123  162.600   32.596  213.628   14.336  342.680   37.326  404.530   13.682 -61.85040 39.75417 
1 1 1   -1   20   22 o  380.586   13.021  189.163   12.836  168.600   31.360  193.302   14.069  348.882   35.181  384.445   14.128 -35.56253 37.91187 
1 1 1   -1   20   23 o   47.545   22.641  -9.4297   7.6747   6.1930   23.626 -11.2727   8.1147  111.008   47.149   47.428   22.771 63.58015 52.36034 
1 1 1   -1   20   24 o   74.009   27.944   5.7569   7.3201   19.030   19.284   3.5225   7.9123  121.594   45.468   70.131   28.279 51.46255 53.54454 
1 1 1   -1   20   25 o   94.835   30.759   12.355   8.6372   25.010   25.273   10.681   9.1905  134.581   51.655   90.780   31.730 43.80054 60.62247 
1 1 1   -1   20   26 o   91.955   30.938   11.483   8.7154   23.670   24.899   9.7817   9.3040  130.655   50.962   88.137   31.813 42.51828 60.07605 
1 1 1   -1   20   27 o   84.378   28.275   9.6200   7.2794   49.520   25.388   6.0458   7.5984  170.211   52.421   74.630   28.400 95.58030 59.61986 
1 1 1   -1   20   28 o  124.602   28.607   22.621   9.0378   46.220   26.102   19.406   9.6338  161.609   53.525  114.417   31.506 47.19213 62.10881 
1 1 1   -1   20   29 o  103.695   36.261   15.632   12.003   30.340   24.170   10.818   13.829  134.518   50.779   95.632   37.774 38.88549 63.28826 
1 1 1   -1   20   30 o   44.639   22.104 -20.0312   9.5442   0.0000   0.0000 -20.0312   9.5442  ?   ?    44.639   22.104 0.000000 22.10406 
1 1 1   -1   20   31 o  146.870   21.254   30.359   7.8507   28.427   9.5957   34.270   13.653  138.344   27.743  146.012   36.263 -7.668106 45.65820 
1 1 1   -1   20   32 o  104.076   27.279   16.419   7.4436  -5.4305   11.285   33.248   9.9037   63.017   29.179  149.775   26.497 -86.75870 39.41408 
1 1 1   -1   20   33 o   64.189   25.590   4.1759   6.4015   1.8620   8.2110   7.7622   10.222   64.106   27.525   80.308   32.227 -16.20125 42.38133 
1 1 1   -1   20   34 o  111.269   27.210   19.218   7.7772   36.148   11.861   6.4479   10.301  149.988   31.529   76.990   31.801 72.99755 44.78117 
1 1 1   -1   20   35 o   58.254   25.491   0.6582   7.3200   0.4963   10.460   0.8135   10.247   66.683   29.760   66.633   29.615 0.5045319E-01 41.98397 
1 1 1   -1   20   36 f   65.063   28.098   2.5954   8.6527  -0.8759   13.809   4.8392   11.102   71.350   32.762   73.941   31.880 -2.590302 45.71302 
1 1 1   -1   20   37 o   73.150   28.252   7.5843   7.5943  -5.1630   10.215   23.335   11.355   57.503   26.998  112.482   35.127 -54.97958 44.30349 
1 1 1   -1   20   38 o   79.979   29.723   10.451   8.2161   12.518   11.998   8.6268   11.274   85.450   34.694   78.044   32.827 7.406616 47.76265 
1 1 1   -1   20   39 o   71.465   28.186   7.7119   7.6892   10.042   11.464   5.8065   10.367   78.898   33.140   70.731   30.650 8.167328 45.14037 
1 1 1   -1   20   40 o   71.216   29.934   7.4725   9.3644 -14.0000   25.175   10.921   10.088   70.895   35.242   78.358   31.813 -7.463280 47.47710 
1 1 1   -1   20   41 o   91.678   32.990   17.544   9.9966   9.1426   12.789   30.740   16.028   74.753   33.160  105.647   40.977 -30.89404 52.71309 
1 1 1   -1   20   42 o   47.542   22.799  -5.7286   8.0801  -7.2699   10.770  -3.7444   12.220   52.851   25.587   58.685   28.115 -5.834042 38.01501 
1 1 1   -1   20   43 o   98.950   32.429   21.424   9.5911   10.818   13.589   31.952   13.539   73.523   33.270  109.179   38.487 -35.65572 50.87412 
1 1 1   -1   20   44 o   40.401   20.156 -14.5413   8.5506 -19.5614   12.311  -9.8622   11.885   46.505   23.344   51.187   25.219 -4.682606 34.36446 
1 1 1   -1   21    1 o  456.199   12.019  270.166   14.202  261.964   20.469  277.781   19.723  448.629   17.614  462.117   16.476 -13.48788 24.11889 
1 1 1   -1   21    2 o  465.437   12.246  281.247   14.764  286.915   21.329  276.032   20.458  469.511   17.538  460.570   17.148 8.940460 24.52789 
1 1 1   -1   21    3 f  606.096   11.600  476.818   18.212  482.861   26.013  471.008   25.507  609.248   16.483  601.743   16.364 7.505310 23.22681 
1 1 1   -1   21    4 o  287.077   15.084  107.431   11.178  106.672   17.333  107.971   14.625  284.711   23.718  287.137   19.784 -2.425323 30.88617 
1 1 1   -1   21    5 o  883.167   12.086  1012.68   27.650  1047.42   40.300  981.793   38.006  897.019   17.344  868.577   16.892 28.44183 24.21121 
1 1 1   -1   21    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   21    7 o  454.568   12.018  268.310   14.151  239.823   19.625  299.167   20.425  429.122   17.655  479.459   16.446 -50.33673 24.12860 
1 1 1   -1   21    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   21    9 o  1013.54   12.951  1334.74   34.001  1327.30   48.366  1342.02   47.808  1009.02   18.505  1014.71   18.189 -5.693359 25.94764 
1 1 1   -1   21   10 o  230.341   19.505   69.727   11.528   76.875   16.874   63.471   15.787  240.286   27.613  217.795   28.681 22.49176 39.81257 
1 1 1   -1   21   11 o  440.916   12.947  252.681   14.786  250.931   21.639  254.215   20.252  438.482   19.052  441.572   17.706 -3.089752 26.00889 
1 1 1   -1   21   12 o  417.964   14.270  227.290   15.450  219.627   22.453  234.180   21.291  409.189   21.257  423.433   19.412 -14.24344 28.78683 
1 1 1   -1   21   13 o  519.999   13.205  351.667   17.786  339.889   25.399  363.000   24.915  510.033   19.225  527.318   18.240 -17.28552 26.50099 
1 1 1   -1   21   14 o  472.811   12.657  290.720   15.501  291.852   22.127  289.629   21.723  472.728   18.070  470.980   17.806 1.747498 25.36871 
1 1 1   -1   21   15 o  313.818   33.040  132.700   26.454   0.0000   0.0000  132.700   26.454  ?   ?   313.818   33.040 0.000000 33.03958 
1 1 1   -1   21   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   21   17 o  163.693   24.501   36.120   10.069   40.630   28.038   35.452   10.789  169.486   55.442  161.571   26.713 7.914444 61.54192 
1 1 1   -1   21   18 o  266.112   15.854   92.880   10.878  110.200   26.371   89.328   11.942  282.720   36.888  260.529   17.802 22.19058 40.95948 
1 1 1   -1   21   19 o  252.473   16.333   83.799   10.625   72.040   29.779   85.514   11.373  219.623   52.962  254.816   17.333 -35.19283 55.72637 
1 1 1   -1   21   20 o   95.345   33.842   11.087   10.485   74.650   28.441   1.0885   11.280  223.585   50.322   76.626   32.563 146.9599 59.93899 
1 1 1   -1   21   21 o   91.533   30.779   10.886   8.6260   4.1150   21.191   12.231   9.4437  104.464   44.519   96.407   32.206 8.057625 54.94658 
1 1 1   -1   21   22 o  411.181   12.589  221.157   13.408  263.200   32.023  212.219   14.765  439.076   28.307  402.256   14.170 36.82004 31.65554 
1 1 1   -1   21   23 o  110.511   30.908   17.441   9.1938  -0.9997   25.554   20.183   9.8536  105.005   46.713  118.493   31.545 -13.48757 56.36623 
1 1 1   -1   21   24 o  121.425   25.904   20.827   7.8992 -28.3000   27.447   25.263   8.2481   87.384   41.935  134.523   24.576 -47.13875 48.60613 
1 1 1   -1   21   25 o  228.007   18.125   69.784   10.616   57.980   28.741   71.649   11.424  182.406   55.709  230.510   19.311 -48.10417 58.96134 
1 1 1   -1   21   26 o  136.652   28.113   26.914   9.6190   0.8019   24.660   31.600   10.447  101.792   45.542  148.297   28.226 -46.50514 53.57937 
1 1 1   -1   21   27 o  104.865   29.228   16.130   8.2363   12.840   21.616   16.689   8.9084  109.499   45.715  106.345   30.657 3.154366 55.04275 
1 1 1   -1   21   28 o   88.080   34.283   9.1457   11.250   8.6240   17.504   9.5129   14.684   97.188   40.892   94.245   38.337 2.943481 56.05263 
1 1 1   -1   21   29 o   42.228   20.943 -18.8721   8.6921   0.0000   0.0000 -18.8721   8.6921  ?   ?    42.228   20.943 0.000000 20.94292 
1 1 1   -1   21   30 o  168.070   25.565   41.017   10.779   18.290   24.123   46.686   12.049  112.545   47.714  178.505   26.892 -65.95988 54.77048 
1 1 1   -1   21   31 o   70.568   28.191   5.2199   7.7836  -9.1280   22.001   7.2728   8.3218   82.483   39.001   76.633   29.581 5.850182 48.95015 
1 1 1   -1   21   32 o  196.778   20.074   54.667   10.089   50.540   18.903   56.310   11.930  164.992   43.582  196.449   23.939 -31.45699 49.72331 
1 1 1   -1   21   33 o  172.115   22.692   43.255   9.8702   36.990   24.640   44.452   10.772  126.765   50.311  172.708   24.790 -45.94328 56.08648 
1 1 1   -1   21   34 o   70.739   26.879   6.6679   6.8001   7.6486   10.687   6.0006   8.8151   78.794   32.452   72.555   29.630 6.239128 43.94374 
1 1 1   -1   21   35 o   45.249   21.800  -8.8442   7.5869   19.980   13.312 -22.7118   9.2333  103.286   37.934   40.495   20.312 62.79113 43.02924 
1 1 1   -1   21   36 o   88.664   30.520   13.270   8.4874   24.920   13.209   5.0783   11.076  112.320   38.086   72.999   31.657 39.32085 49.52492 
1 1 1   -1   21   37 o   90.630   29.419   14.179   7.9002   15.578   12.074   13.132   10.447   91.062   35.497   86.275   33.188 4.787308 48.59473 
1 1 1   -1   21   38 o  106.053   27.156   19.088   7.4925   19.921   10.546   18.240   10.647  100.460   34.031   96.045   34.101 4.414581 48.17637 
1 1 1   -1   21   39 o   89.555   35.996   17.455   12.776   12.030   21.331   20.490   15.954   82.362   38.778   91.925   38.878 -9.563408 54.91085 
1 1 1   -1   21   40 o  109.097   33.381   24.623   10.314   21.760   15.210   27.060   14.033   91.681   38.318  103.087   38.739 -11.40567 54.48820 
1 1 1   -1   21   41 o   61.214   27.330   3.4967   8.8321   3.9432   13.201   3.1348   11.884   67.052   31.221   64.798   29.982 2.254601 43.28634 
1 1 1   -1   21   42 o   67.098   28.810   7.5234   8.9953   16.199   12.487  -1.8351   12.969   81.093   34.351   60.060   28.824 21.03250 44.84212 
1 1 1   -1   21   43 o   41.605   20.561 -11.0005   8.1118 -15.5078   10.607  -4.6519   12.589   44.994   22.448   55.911   27.206 -10.91655 35.27168 
1 1 1   -1   21   44 o   51.529   24.449  -1.1261   8.7901   0.7022   12.676  -2.8197   12.200   58.445   28.163   55.149   26.823 3.296947 38.89256 
1 1 1   -1   22    1 o  249.666   17.648   81.612   11.340   51.157   16.340  109.909   15.750  194.007   33.740  289.314   21.164 -95.30641 39.82808 
1 1 1   -1   22    2 o  395.342   13.014  203.089   13.327  204.499   19.239  201.788   18.479  396.016   18.755  393.469   18.131 2.546600 26.08565 
1 1 1   -1   22    3 o  234.513   17.316   72.030   10.445  105.348   15.440   43.925   14.181  283.185   21.203  179.919   31.581 103.2654 38.03868 
1 1 1   -1   22    4 o  158.016   23.994   33.424   9.5123   18.636   14.868   43.672   12.377  120.965   40.410  180.348   27.353 -59.38234 48.79655 
1 1 1   -1   22    5 o  233.566   17.857   71.520   10.722   88.329   16.311   58.734   14.227  258.423   24.667  209.803   26.790 48.62062 36.41635 
1 1 1   -1   22    6 o  253.333   17.563   84.049   11.454   70.619   16.517   96.489   15.898  229.942   28.330  270.533   22.901 -40.59045 36.42901 
1 1 1   -1   22    7 o  493.751   17.912  317.930   22.908  317.930   22.908   0.0000   0.0000  493.751   17.912  ?   ?  0.000000 17.91150 
1 1 1   -1   22    8 o  512.505   12.506  341.376   16.602  305.423   23.188  379.190   23.781  483.765   18.505  539.344   17.022 -55.57880 25.14305 
1 1 1   -1   22    9 o  501.388   12.499  326.776   16.233  338.680   23.757  316.348   22.234  509.445   18.003  492.479   17.429 16.96631 25.05734 
1 1 1   -1   22   10 o  689.613   12.202  618.176   21.796  640.588   32.078  598.955   29.707  700.606   17.676  677.671   16.923 22.93445 24.47117 
1 1 1   -1   22   11 o  419.527   14.340  229.161   15.583  222.181   22.867  235.213   21.294  411.184   21.544  424.106   19.383 -12.92157 28.98034 
1 1 1   -1   22   12 f  487.469   20.212  311.212   25.521  311.212   25.521   0.0000   0.0000  487.469   20.212  ?   ?  0.000000 20.21162 
1 1 1   -1   22   13 o  186.501   52.189   50.170   26.205   0.0000   0.0000   50.170   26.205  ?   ?   186.501   52.189 0.000000 52.18873 
1 1 1   -1   22   14 o  176.546   53.279   44.830   26.403   44.830   26.403   0.0000   0.0000  176.546   53.279  ?   ?  0.000000 53.27858 
1 1 1   -1   22   15 o  158.582   27.516   34.295   10.893   51.542   16.853   21.920   14.276  192.851   35.028  126.579   39.364 66.27182 52.69196 
1 1 1   -1   22   16 o  155.882   30.869   33.626   12.023   51.267   19.509   22.821   15.267  189.917   40.868  128.940   40.799 60.97749 57.74746 
1 1 1   -1   22   17 o  397.711   15.769  206.971   16.245  197.400   31.808  210.348   18.895  380.918   32.550  400.257   18.224 -19.33917 37.30455 
1 1 1   -1   22   18 o  192.647   20.331   49.498   9.9923   73.920   28.985   46.204   10.645  221.969   51.421  185.412   22.634 36.55728 56.18214 
1 1 1   -1   22   19 o  136.511   27.129   25.865   9.2550   43.100   25.329   23.209   9.9424  168.698   52.428  128.357   30.376 40.34097 60.59227 
1 1 1   -1   22   20 o  547.853   11.950  392.095   16.958  355.900   36.658  401.950   19.128  511.744   27.758  554.116   13.327 -42.37231 30.79139 
1 1 1   -1   22   21 o  267.596   16.021   94.721   11.054  111.800   30.686   92.175   11.850  273.056   44.949  263.446   17.464 9.610596 48.22239 
1 1 1   -1   22   22 o  108.904   29.567   16.984   8.5552   5.6850   27.823   18.163   8.9908  114.165   49.833  112.422   30.222 1.742401 58.28141 
1 1 1   -1   22   23 o  204.715   19.442   56.565   10.186 -15.6900   28.252   67.360   10.920   96.106   45.051  223.723   19.025 -127.6179 48.90320 
1 1 1   -1   22   24 o  196.647   17.906   52.067   9.0209   60.550   29.158   51.169   9.4863  184.418   56.065  194.435   19.081 -10.01735 59.22300 
1 1 1   -1   22   25 o  115.273   29.012   19.466   8.6560  -4.2750   25.575   22.537   9.1990   98.054   44.862  124.090   29.120 -26.03671 53.48417 
1 1 1   -1   22   26 o  118.431   31.048   20.988   9.6413 -12.8700   24.940   26.936   10.454   89.386   42.037  134.572   30.673 -45.18616 52.03783 
1 1 1   -1   22   27 o  235.564   24.648   78.315   14.817   80.550   26.685   77.319   17.816  214.854   49.031  228.981   30.820 -14.12712 57.91258 
1 1 1   -1   22   28 o  229.499   19.481   72.500   11.471   0.0000   0.0000   72.500   11.471  ?   ?   229.499   19.481 0.000000 19.48071 
1 1 1   -1   22   29 o  137.581   25.333   27.752   8.6953   34.790   23.683   26.656   9.3482  133.422   50.290  133.107   28.000 0.3150787 57.55919 
1 1 1   -1   22   30 o  129.404   25.339   24.902   8.1895   28.230   19.121   24.155   9.0628  122.376   45.370  125.279   28.562 -2.902557 53.61187 
1 1 1   -1   22   31 o   69.232   28.501   4.5463   8.2379  -6.8210   22.218   6.3581   8.8702   82.417   39.036   74.480   29.973 7.936722 49.21622 
1 1 1   -1   22   32 o  105.233   30.271   18.058   8.6939   16.550   24.744   18.270   9.2859  102.183   45.675  105.004   31.576 -2.820793 55.52682 
1 1 1   -1   22   33 o   79.586   29.402   9.4979   8.0162   19.430   20.151   7.6306   8.7373  101.971   43.433   75.714   29.988 26.25658 52.77950 
1 1 1   -1   22   34 o   84.350   30.675   11.465   8.6744   0.0000   0.0000   11.465   8.6744  ?   ?    84.350   30.675 0.000000 30.67540 
1 1 1   -1   22   35 o   51.511   24.869 -10.1865   9.9965   0.0000   0.0000 -10.1865   9.9965  ?   ?    51.511   24.869 0.000000 24.86900 
1 1 1   -1   22   36 o  128.900   24.132   26.114   7.7611   22.452   10.926   29.843   11.027  108.054   34.548  127.918   33.044 -19.86377 47.80708 
1 1 1   -1   22   37 o   59.795   26.320   2.1752   7.9066   13.535   11.797  -7.0892   10.653   84.557   34.375   54.775   26.244 29.78179 43.24799 
1 1 1   -1   22   38 o   70.805   31.904   5.7253   12.343   13.390   19.930   0.9572   15.720   82.525   38.405   69.448   32.877 13.07689 50.55513 
1 1 1   -1   22   39 o   52.874   24.596  -1.6664   8.1604   1.3660   14.698  -3.0176   9.8115   67.085   31.767   55.164   26.072 11.92035 41.09626 
1 1 1   -1   22   40 o   61.778   27.117   4.4526   8.3404  -3.5979   13.104   9.9353   10.814   59.617   28.704   72.844   31.435 -13.22741 42.56800 
1 1 1   -1   22   41 o  126.755   28.137   30.114   8.9974   30.938   12.444   29.211   13.024  110.262   36.969  103.858   37.616 6.404060 52.74122 
1 1 1   -1   22   42 o   59.339   27.083   3.5815   9.2483   6.8466   13.508   0.7007   12.688   66.394   31.132   60.098   28.754 6.295498 42.37910 
1 1 1   -1   22   43 o   73.007   29.757   12.577   8.8692   17.363   12.116   7.0498   13.019   77.127   33.278   64.115   30.220 13.01172 44.95160 
1 1 1   -1   23    1 o  323.076   14.440  135.847   12.084  140.485   18.041  132.073   16.274  326.914   21.423  317.256   19.904 9.657776 29.24270 
1 1 1   -1   23    2 o  343.151   14.215  153.236   12.635  152.178   18.015  154.261   17.727  340.489   20.522  342.923   20.044 -2.434235 28.68602 
1 1 1   -1   23    3 o  340.620   14.556  151.029   12.843  146.735   18.368  155.135   17.964  334.120   21.334  343.829   20.259 -9.708466 29.42080 
1 1 1   -1   23    4 o  371.568   13.928  179.657   13.405  190.829   19.762  170.135   18.245  381.469   20.070  360.233   19.627 21.23584 28.07177 
1 1 1   -1   23    5 o  379.536   13.895  187.461   13.661  199.675   20.705  178.046   18.179  390.071   20.565  368.617   19.104 21.45422 28.06927 
1 1 1   -1   23    6 o  326.213   15.127  138.632   12.782  139.998   19.467  137.597   16.948  325.740   23.223  323.619   20.321 2.121368 30.85860 
1 1 1   -1   23    7 o  112.306   33.578   17.054   10.523   5.3730   16.090   25.785   13.910   97.684   39.977  136.427   37.969 -38.74380 55.13460 
1 1 1   -1   23    8 o  345.405   14.706  155.437   13.158  165.251   19.518  147.262   17.814  354.362   21.364  334.625   20.652 19.73727 29.71424 
1 1 1   -1   23    9 o  210.720   21.727   58.881   11.689   29.571   18.034   80.116   15.350  145.978   44.027  245.453   24.469 -99.47537 50.37020 
1 1 1   -1   23   10 o  407.715   19.644  217.808   20.746   0.0000   0.0000  217.808   20.746  ?   ?   407.715   19.644 0.000000 19.64373 
1 1 1   -1   23   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   23   12 o  234.966   27.566   74.267   16.459   74.267   16.459   0.0000   0.0000  234.966   27.566  ?   ?  0.000000 27.56608 
1 1 1   -1   23   13 o  215.179   23.259   61.818   12.758   82.075   19.290   46.068   17.009  245.733   30.994  181.029   37.507 64.70496 48.65601 
1 1 1   -1   23   14 o  306.480   18.111  123.645   14.314  141.794   22.205  110.742   18.724  325.368   26.579  287.735   25.382 37.63300 36.75190 
1 1 1   -1   23   15 o  382.488   21.164  193.707   20.887   0.0000   0.0000  193.707   20.887  ?   ?   382.488   21.164 0.000000 21.16428 
1 1 1   -1   23   16 o  491.459   13.433  315.522   17.101  330.528   25.925  303.965   22.752  500.409   20.001  480.626   18.275 19.78314 27.09265 
1 1 1   -1   23   17 o  279.812   20.437  104.184   14.710  102.600   29.765  104.697   16.921  264.918   44.985  279.270   23.613 -14.35281 50.80558 
1 1 1   -1   23   18 o  263.699   15.901   91.760   10.810  105.900   25.439   88.644   11.942  273.026   36.918  258.513   17.946 14.51291 41.04840 
1 1 1   -1   23   19 o  232.377   18.569   72.024   11.084  127.700   30.392   63.483   11.904  295.685   40.765  217.014   21.457 78.67122 46.06722 
1 1 1   -1   23   20 o  102.801   30.909   14.982   8.8983   24.260   27.382   13.887   9.4090  134.999   53.207   99.858   32.075 35.14191 62.12714 
1 1 1   -1   23   21 f  130.763   28.131   24.458   9.2457  -8.1020   24.492   29.869   9.9844   95.138   43.665  145.081   27.576 -49.94291 51.64407 
1 1 1   -1   23   22 o  116.003   29.398   19.591   8.8446   1.8480   21.255   23.307   9.7267   97.585   43.045  126.342   30.142 -28.75649 52.54928 
1 1 1   -1   23   23 o   53.782   25.141  -7.1183   8.6934 -43.9100   20.812   0.6581   9.5681   64.090   31.889   68.442   29.552 -4.351982 43.47655 
1 1 1   -1   23   24 o   57.831   25.562  -1.2453   7.5332  -1.6290   20.699  -1.1867   8.0879   91.321   41.217   60.005   26.506 31.31660 49.00389 
1 1 1   -1   23   25 o   60.204   26.245  -0.1449   7.6948   8.9650   21.067  -1.5474   8.2659  102.308   44.013   59.781   26.582 42.52767 51.41734 
1 1 1   -1   23   26 o  101.780   36.909   15.295   12.545   34.360   20.249   3.4184   15.983  138.963   47.156   86.430   37.747 52.53319 60.40265 
1 1 1   -1   23   27 o   61.721   28.265  -4.1342   10.184   0.0000   0.0000  -4.1342   10.184  ?   ?    61.721   28.265 0.000000 28.26503 
1 1 1   -1   23   28 o   86.758   30.710   10.973   8.6285  -6.5650   21.546   14.324   9.4166   83.861   39.321   96.260   32.160 -12.39931 50.79741 
1 1 1   -1   23   29 o  120.071   25.677   21.717   7.7442   33.030   24.148   20.420   8.1760  125.417   49.796  115.027   27.758 10.38996 57.01046 
1 1 1   -1   23   30 o   72.766   28.956   6.3146   8.1818   14.400   24.253   5.2763   8.6913  101.061   45.193   71.440   29.326 29.62184 53.87411 
1 1 1   -1   23   31 o  111.411   28.945   20.038   8.4290   9.8060   22.897   21.642   9.0656   93.826   42.743  114.984   30.089 -21.15874 52.27131 
1 1 1   -1   23   32 o   58.738   26.120   0.1280   7.9818 -25.2000   17.422   6.8567   8.9797   60.382   29.893   73.930   30.015 -13.54849 42.36161 
1 1 1   -1   23   33 o   61.507   27.376   0.7504   8.7879   0.0000   0.0000   0.7504   8.7879  ?   ?    61.507   27.376 0.000000 27.37590 
1 1 1   -1   23   34 o   92.776   30.461   14.984   8.4609   0.0000   0.0000   14.984   8.4609  ?   ?    92.776   30.461 0.000000 30.46135 
1 1 1   -1   23   35 o   43.198   21.130 -11.1493   7.8833 -34.2800   19.275  -6.5026   8.6389   57.493   28.907   50.283   23.966 7.210239 37.54976 
1 1 1   -1   23   36 o   42.196   20.569  -9.4763   7.2866 -27.8700   21.663  -7.1298   7.7374   62.246   31.207   46.141   22.175 16.10514 38.28305 
1 1 1   -1   23   37 o   54.411   26.205  -6.9599   10.940 -16.1100   15.546   2.0190   15.400   57.125   28.273   69.480   32.784 -12.35476 43.29185 
1 1 1   -1   23   38 o   68.961   30.880   6.5633   11.364   0.0000   0.0000   6.5633   11.364  ?   ?    68.961   30.880 0.000000 30.88013 
1 1 1   -1   23   39 o   71.058   28.712   9.3748   8.1748   8.4230   10.342   10.960   13.346   69.667   30.396   73.940   33.260 -4.273895 45.05723 
1 1 1   -1   23   40 o   56.665   25.654   2.3525   8.0906   1.8351   12.970   2.6819   10.351   62.453   29.651   60.414   27.964 2.039288 40.75737 
1 1 1   -1   23   41 o   61.806   27.454   5.7615   8.7945  -1.8118   13.060   12.045   11.896   58.074   28.131   71.734   31.894 -13.65924 42.52683 
1 1 1   -1   23   42 o   63.471   27.676   7.7838   8.5614   16.537   11.426  -3.4223   12.928   76.279   32.603   55.170   27.002 21.10882 42.33221 
1 1 1   -1   24    1 o  511.749   17.419  342.186   23.091   0.0000   0.0000  342.186   23.091  ?   ?   511.749   17.419 0.000000 17.41938 
1 1 1   -1   24    2 o  453.740   13.238  268.019   15.559  243.131   22.403  291.210   21.625  430.727   20.079  472.015   17.687 -41.28830 26.75839 
1 1 1   -1   24    3 o  271.618   17.622   96.828   12.331   82.993   17.636  110.063   17.250  248.848   27.836  288.301   23.297 -39.45280 36.29903 
1 1 1   -1   24    4 o  153.834   32.258   32.716   12.443   11.360   20.822   44.580   15.519  116.218   46.209  179.531   34.627 -63.31360 57.74363 
1 1 1   -1   24    5 o  344.129   17.069  154.766   15.215  157.000   26.668  153.687   18.527  342.057   30.416  341.514   21.046 0.5438232 36.98701 
1 1 1   -1   24    6 o  243.182   22.717   78.495   14.144   78.250   25.175   78.608   17.097  235.939   42.767  241.931   27.787 -5.991898 51.00121 
1 1 1   -1   24    7 o  152.673   50.281   32.120   23.047   0.0000   0.0000   32.120   23.047  ?   ?   152.673   50.281 0.000000 50.28131 
1 1 1   -1   24    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   24    9 o   65.134   31.521 -25.2036   16.304 -25.2036   16.304   0.0000   0.0000   65.134   31.521  ?   ?  0.000000 31.52118 
1 1 1   -1   24   10 o  176.340   28.822   42.512   12.710   21.366   18.606   61.016   17.405  128.715   45.138  210.527   33.001 -81.81198 55.91509 
1 1 1   -1   24   11 o  320.919   17.147  135.342   14.202  121.405   21.318  146.463   19.044  300.386   27.710  332.272   22.255 -31.88635 35.54069 
1 1 1   -1   24   12 o  192.780   24.472   50.102   11.945   57.919   17.971   43.915   15.989  203.541   35.369  176.370   36.210 27.17169 50.61735 
1 1 1   -1   24   13 f  135.408   33.671   25.942   11.760   31.890   17.251   20.778   16.074  148.499   42.619  124.113   42.015 24.38618 59.84646 
1 1 1   -1   24   14 f  253.874   17.763   85.218   11.607   99.820   18.530   75.787   14.891  271.543   26.689  237.096   24.605 34.44775 36.30008 
1 1 1   -1   24   15 o  163.565   31.466   37.633   12.848   34.603   19.705   39.873   16.945  152.635   46.019  165.119   40.032 -12.48413 60.99456 
1 1 1   -1   24   16 o  248.309   19.575   82.260   12.489   79.842   17.227   84.938   18.131  240.942   28.131  248.299   28.721 -7.357010 40.20254 
1 1 1   -1   24   17 o  320.469   16.414  135.891   13.580  141.880   21.229  131.742   17.667  322.676   25.609  312.943   21.934 9.732910 33.71793 
1 1 1   -1   24   18 o  151.952   36.286   34.160   14.085   36.640   27.033   33.236   16.502  152.171   54.304  147.781   41.437 4.390198 68.30778 
1 1 1   -1   24   19 o  204.544   17.433   56.020   9.1485   35.330   21.989   60.351   10.061  148.414   49.125  211.923   18.513 -63.50931 52.49777 
1 1 1   -1   24   20 o  110.754   30.804   17.944   9.1587   51.450   26.614   13.444   9.7545  172.085   53.785   97.869   32.731 74.21608 62.96138 
1 1 1   -1   24   21 o  112.433   30.033   18.607   8.9124   17.730   27.722   18.708   9.4121  122.039   51.411  112.430   31.212 9.608521 60.14406 
1 1 1   -1   24   22 o   97.972   30.864   13.983   8.7446   4.6470   26.644   15.110   9.2573  106.373   47.482  101.384   31.726 4.988846 57.10637 
1 1 1   -1   24   23 o   55.664   25.496  -4.2797   8.2920   3.9490   23.872  -5.4087   8.8426  100.846   44.985   56.168   25.945 44.67793 51.93077 
1 1 1   -1   24   24 o  140.185   23.158   27.915   8.1155   36.520   24.237   26.829   8.6127  140.577   51.253  136.238   25.338 4.338745 57.17387 
1 1 1   -1   24   25 o   70.266   31.680  -2.1123   12.190 -25.5800   22.712   7.3830   14.447   74.992   36.503   88.578   37.204 -13.58642 52.12093 
1 1 1   -1   24   26 o   61.905   28.765  -6.0390   11.112   0.0000   0.0000  -6.0390   11.112  ?   ?    61.905   28.765 0.000000 28.76480 
1 1 1   -1   24   27 o   77.447   31.310   6.6965   9.7267  -3.9630   23.670   8.8623   10.669   87.928   41.223   83.426   33.107 4.501717 52.87185 
1 1 1   -1   24   28 o  170.348   21.011   41.569   9.0748   25.800   24.744   44.020   9.7545  114.128   48.351  174.515   22.072 -60.38696 53.15086 
1 1 1   -1   24   29 o  101.291   28.089   16.345   7.6272   0.8450   22.712   18.315   8.0975   86.864   40.615  106.906   28.657 -20.04249 49.70687 
1 1 1   -1   24   30 o   53.309   24.290  -2.1248   7.3997 -13.4000   17.977   0.1754   8.1195   68.539   33.152   59.358   26.372 9.181042 42.36195 
1 1 1   -1   24   31 o  104.842   30.479   18.673   8.7721  -3.6080   23.176   22.399   9.4771   81.133   38.829  114.497   31.134 -33.36402 49.76947 
1 1 1   -1   24   32 o  111.552   31.123   21.669   9.3342   0.0000   0.0000   21.669   9.3342  ?   ?   111.552   31.123 0.000000 31.12335 
1 1 1   -1   24   33 o   66.327   27.982   4.7075   8.2316   0.0000   0.0000   4.7075   8.2316  ?   ?    66.327   27.982 0.000000 27.98211 
1 1 1   -1   24   34 o   55.969   25.636  -1.1186   8.3837 -20.7300   20.242   2.9420   9.2109   64.112   31.824   64.091   28.300 0.2137756E-01 42.58720 
1 1 1   -1   24   35 o   50.594   23.871  -4.1900   8.1619 -22.9100   21.864  -1.1589   8.7979   63.817   31.899   56.172   25.923 7.644737 41.10363 
1 1 1   -1   24   36 o   67.870   29.575   6.2458   9.7624   18.390   17.627   0.8727   11.725   85.477   38.354   63.197   29.426 22.27999 48.34171 
1 1 1   -1   24   37 o   87.731   34.738   18.355   11.722   0.0000   0.0000   18.355   11.722  ?   ?    87.731   34.738 0.000000 34.73821 
1 1 1   -1   24   38 f   42.050   21.025 -16.9660   9.5355 -37.4900   19.784 -10.7551   10.883   52.591   26.754   49.353   24.280 3.238293 36.12819 
1 1 1   -1   24   39 o   50.681   23.782  -1.3723   7.9088   2.6290   22.566  -1.9327   8.4445   67.965   33.713   51.196   24.194 16.76875 41.49617 
1 1 1   -1   24   40 o   59.963   27.221   4.6636   9.1833 -23.0000   18.870   13.249   10.512   53.854   27.261   73.646   31.369 -19.79234 41.55934 
1 1 1   -1   24   41 o   56.137   26.360   2.3620   9.7428 -12.9500   22.777   5.7910   10.779   58.386   29.598   60.920   28.315 -2.534092 40.96070 
1 1 1   -1   24   42 o   70.389   28.793   12.636   8.3416   8.6887   10.965   18.059   12.852   62.114   28.761   72.170   32.534 -10.05558 43.42453 
1 1 1   -1   25    1 o  198.901   52.539   58.430   27.473   58.430   27.473   0.0000   0.0000  198.901   52.539  ?   ?  0.000000 52.53941 
1 1 1   -1   25    2 o  324.384   34.356  143.600   28.428  143.600   28.428   0.0000   0.0000  324.384   34.356  ?   ?  0.000000 34.35561 
1 1 1   -1   25    3 o  549.508   24.761  400.100   35.245  400.100   35.245   0.0000   0.0000  549.508   24.761  ?   ?  0.000000 24.76096 
1 1 1   -1   25    4 o  255.090   27.555   87.640   17.918   94.330   24.472   79.910   26.306  260.815   37.285  236.417   44.592 24.39807 58.12555 
1 1 1   -1   25    5 o  125.913   37.117   22.098   12.929   35.990   15.653  -7.7380   22.939  159.154   38.408   96.949   43.607 62.20524 58.10976 
1 1 1   -1   25    6 o  222.701   25.646   66.741   14.524   76.313   18.265   50.280   23.952  236.582   30.516  184.804   49.173 51.77815 57.87247 
1 1 1   -1   25    7 o  172.826   28.074   40.884   12.137   37.730   17.865   43.586   16.539  161.742   42.198  175.353   37.545 -13.61102 56.48267 
1 1 1   -1   25    8 o  321.558   16.405  135.848   13.619  129.383   19.441  142.078   19.084  311.159   24.313  326.785   22.686 -15.62582 33.25365 
1 1 1   -1   25    9 o  254.977   29.455   88.599   19.096   88.599   19.096   0.0000   0.0000  254.977   29.455  ?   ?  0.000000 29.45451 
1 1 1   -1   25   10 o   72.301   31.867  -2.3047   11.627 -15.6184   17.823   7.5580   15.340   76.305   35.773   97.751   39.389 -21.44568 53.20930 
1 1 1   -1   25   11 o  131.270   30.548   24.280   10.192   31.384   15.051   18.264   13.851  147.213   38.889  116.161   39.003 31.05206 55.07803 
1 1 1   -1   25   12 o  173.723   28.042   41.724   12.189   36.340   18.563   45.804   16.161  156.432   43.978  178.832   36.131 -22.40063 56.91662 
1 1 1   -1   25   13 o  273.102   19.300   99.294   13.565   98.951   20.310   99.570   18.227  267.738   29.790  270.368   26.362 -2.630798 39.77972 
1 1 1   -1   25   14 o  151.025   30.895   32.437   11.679   35.368   16.399   29.421   16.636  153.946   40.557  140.508   42.267 13.43764 58.57787 
1 1 1   -1   25   15 f  253.415   18.924   85.869   12.333   95.394   19.627   79.654   15.853  261.576   29.481  240.809   25.818 20.76663 39.18835 
1 1 1   -1   25   16 o  162.857   30.908   38.053   12.561   32.978   18.348   42.530   17.233  145.727   44.512  167.312   40.253 -21.58514 60.01393 
1 1 1   -1   25   17 o  112.213   34.985   18.428   11.268   21.424   15.901   15.405   15.971  120.640   41.760  108.937   41.240 11.70332 58.69156 
1 1 1   -1   25   18 o  170.279   29.108   41.632   12.378   28.680   28.451   44.656   13.747  136.709   54.123  175.109   31.463 -38.40028 62.60413 
1 1 1   -1   25   19 f  240.809   17.347   77.987   10.748   57.620   29.953   80.997   11.515  175.491   57.299  244.939   18.280 -69.44846 60.14476 
1 1 1   -1   25   20 o   80.747   30.625   7.7165   8.8170   39.460   24.846   3.1431   9.4308  148.572   52.158   72.176   30.170 76.39684 60.25491 
1 1 1   -1   25   21 o  206.707   17.708   57.967   9.3897   52.100   21.371   59.371   10.453  174.061   46.511  208.159   19.617 -34.09824 50.47881 
1 1 1   -1   25   22 o   56.101   25.590  -3.6769   8.2416   8.7460   21.038  -5.9290   8.9576  100.804   43.672   55.646   25.846 45.15902 50.74706 
1 1 1   -1   25   23 o  110.311   38.129   19.392   13.253  -3.6380   22.761   31.205   16.301   89.968   41.581  134.782   42.088 -44.81316 59.16394 
1 1 1   -1   25   24 o  125.682   45.774   28.750   19.325   0.0000   0.0000   28.750   19.325  ?   ?   125.682   45.774 0.000000 45.77367 
1 1 1   -1   25   25 o   90.061   33.832   11.807   10.701   0.0000   0.0000   11.807   10.701  ?   ?    90.061   33.832 0.000000 33.83193 
1 1 1   -1   25   26 o   78.945   30.283   8.3808   8.6831   37.960   20.846   2.1713   9.5511  134.988   47.738   67.918   29.425 67.07061 56.07840 
1 1 1   -1   25   27 o   62.647   27.175   1.6076   8.1662   11.690   18.729  -0.7591   9.0742   93.825   40.922   61.266   27.503 32.55928 49.30557 
1 1 1   -1   25   28 o  141.438   21.723   29.437   7.7042   37.700   18.976   27.807   8.4302  131.424   45.614  134.829   25.061 -3.404861 52.04468 
1 1 1   -1   25   29 o   89.305   28.792   13.087   7.5763   5.0670   22.021   14.164   8.0689   86.477   40.286   92.202   29.712 -5.725349 50.05714 
1 1 1   -1   25   30 o   91.163   31.160   14.338   8.8425   18.820   23.889   13.626   9.5186   97.203   44.038   88.879   32.162 8.324005 54.53209 
1 1 1   -1   25   31 o   74.967   30.076   8.2382   8.9009   0.0000   0.0000   8.2382   8.9009  ?   ?    74.967   30.076 0.000000 30.07595 
1 1 1   -1   25   32 o   68.167   28.155   5.9697   8.0736   0.0000   0.0000   5.9697   8.0736  ?   ?    68.167   28.155 0.000000 28.15480 
1 1 1   -1   25   33 o   78.040   30.363   10.544   8.8212  -6.5350   21.762   13.902   9.6495   72.099   35.233   85.755   32.144 -13.65636 47.69266 
1 1 1   -1   25   34 o   61.009   27.086   2.7714   8.5501   2.4980   22.182   2.8191   9.2660   75.299   36.518   62.378   27.911 12.92041 45.96355 
1 1 1   -1   25   35 o   59.546   27.257   1.4075   9.4567  -9.8800   17.204   6.2947   11.320   61.826   30.437   68.654   30.776 -6.827816 43.28477 
1 1 1   -1   25   36 o   91.509   35.022   20.717   11.597   0.0000   0.0000   20.717   11.597  ?   ?    91.509   35.022 0.000000 35.02231 
1 1 1   -1   25   37 o   47.068   22.912  -7.4506   8.9533  -3.7610   22.795  -8.1236   9.7356   66.112   32.972   48.377   23.625 17.73476 40.56181 
1 1 1   -1   25   38 o   57.284   26.241   2.7119   8.7871 -22.7800   21.588   7.7741   9.6201   57.167   28.962   65.584   28.943 -8.417431 40.94476 
1 1 1   -1   25   39 o   60.152   26.447   5.7902   7.9625   6.6940   22.675   5.6630   8.5041   66.446   33.098   60.313   26.881 6.133575 42.63847 
1 1 1   -1   25   40 o   65.882   28.411   9.8321   8.8219   18.010   21.835   8.2368   9.6441   68.710   33.915   63.079   28.332 5.631706 44.19176 
1 1 1   -1   25   41 o   65.120   28.069   10.548   8.6026   9.7960   22.006   10.683   9.3463   62.064   31.162   64.727   28.548 -2.663933 42.26150 
1 1 1   -1   26    1 o  239.167   19.369   75.877   11.896   76.679   17.796   75.230   15.995  236.781   29.667  235.689   26.670 1.092896 39.89212 
1 1 1   -1   26    2 o  314.102   16.158  129.717   13.102  119.669   19.538  137.928   17.663  298.329   25.529  322.178   21.285 -23.84930 33.23788 
1 1 1   -1   26    3 o  167.018   27.264   38.297   11.388   33.080   16.860   42.675   15.444  150.949   41.725  173.487   35.562 -22.53819 54.82384 
1 1 1   -1   26    4 o  238.072   19.782   75.329   12.089   78.846   17.475   72.101   16.741  240.365   28.629  229.667   28.772 10.69820 40.58924 
1 1 1   -1   26    5 f  427.213   13.187  238.499   14.592  231.659   21.084  244.788   20.217  418.867   19.432  431.116   18.104 -12.24930 26.55865 
1 1 1   -1   26    6 o  235.949   19.732   74.082   11.949   78.795   18.503   70.710   15.650  239.116   30.574  227.844   27.044 11.27205 40.81858 
1 1 1   -1   26    7 o  314.610   16.733  130.542   13.587  122.491   20.404  136.956   18.212  300.697   26.466  320.160   22.096 -19.46347 34.47723 
1 1 1   -1   26    8 o  339.132   23.701  154.534   20.690  154.534   20.690   0.0000   0.0000  339.132   23.701  ?   ?  0.000000 23.70120 
1 1 1   -1   26    9 o  369.533   13.713  178.923   13.126  177.966   19.284  179.750   17.916  365.444   20.454  368.050   18.856 -2.606537 27.81929 
1 1 1   -1   26   10 o  465.035   13.887  283.668   16.729  263.265   24.187  302.377   23.162  444.397   21.012  477.669   18.719 -33.27209 28.14105 
1 1 1   -1   26   11 o  101.649   35.641   13.603   11.600  -0.9639   17.271   25.575   15.657   88.423   38.912  131.700   41.267 -43.27709 56.71962 
1 1 1   -1   26   12 o  138.717   34.316   28.164   12.263   39.507   18.077   18.496   16.690  160.685   42.702  116.935   42.546 43.74950 60.27969 
1 1 1   -1   26   13 o  142.489   29.863   29.146   10.670   36.689   15.806   22.831   14.462  155.676   39.216  124.105   39.754 31.57167 55.84182 
1 1 1   -1   26   14 o  146.282   33.683   31.603   12.499   30.456   18.449   32.577   16.995  139.446   44.926  144.523   42.540 -5.077332 61.87076 
1 1 1   -1   26   15 o  115.750   33.819   19.892   10.776   17.873   15.378   21.840   15.105  112.451   40.851  120.551   40.729 -8.099068 57.68600 
1 1 1   -1   26   16 o  112.668   35.366   18.995   11.493   11.596   18.664   23.514   14.587  104.605   42.962  123.400   39.968 -18.79496 58.67830 
1 1 1   -1   26   17 o  105.099   36.790   16.063   12.358   42.795   17.567 -10.1198   17.386  163.076   41.488   76.412   35.664 86.66386 54.70968 
1 1 1   -1   26   18 o   87.478   34.365   8.7596   11.387   10.370   16.530   7.3051   15.708   98.275   40.405   92.398   38.800 5.877434 56.01780 
1 1 1   -1   26   19 f  193.461   27.409   54.110   13.351   37.120   27.431   59.384   15.284  141.114   53.898  200.537   30.374 -59.42328 61.86731 
1 1 1   -1   26   20 o  105.812   31.352   17.071   9.2047   52.080   26.728   12.360   9.8045  162.168   54.181   92.749   32.746 69.41965 63.30767 
1 1 1   -1   26   21 o   81.823   30.722   8.7008   8.8216   18.280   24.882   7.3237   9.4344  113.302   48.261   79.585   31.275 33.71685 57.50874 
1 1 1   -1   26   22 o   58.979   28.161 -11.6441   12.042  -9.6780   23.429 -12.3499   14.038   85.039   40.221   63.929   30.492 21.11018 50.47262 
1 1 1   -1   26   23 o  110.065   35.035   19.950   11.245   0.0000   0.0000   19.950   11.245  ?   ?   110.065   35.035 0.000000 35.03482 
1 1 1   -1   26   24 o  100.872   32.249   16.493   9.5201   24.220   22.440   14.796   10.513  113.164   46.855   96.045   33.909 17.11938 57.83778 
1 1 1   -1   26   25 o  190.426   20.107   51.736   9.7681   27.330   23.162   57.016   10.773  114.162   47.463  198.956   21.232 -84.79438 51.99556 
1 1 1   -1   26   26 o  257.377   16.132   91.735   10.700   79.200   25.351   94.452   11.803  188.834   50.743  259.521   17.663 -70.68658 53.72884 
1 1 1   -1   26   27 o  117.628   25.823   21.753   7.6525   41.030   23.645   19.498   8.0878  125.461   49.445  109.149   28.352 16.31168 56.99651 
1 1 1   -1   26   28 o  104.742   27.527   18.031   7.5661  -8.2290   23.102   21.186   8.0077   77.114   37.368  113.906   27.461 -36.79247 46.37312 
1 1 1   -1   26   29 o   63.188   27.428   2.8385   8.3304   12.820   23.064   1.3409   8.9335   89.947   41.671   62.015   27.602 27.93242 49.98369 
1 1 1   -1   26   30 o   66.755   28.837   4.3078   9.1197   0.0000   0.0000   4.3078   9.1197  ?   ?    66.755   28.837 0.000000 28.83706 
1 1 1   -1   26   31 o   64.502   27.752   4.2245   8.3776   0.0000   0.0000   4.2245   8.3776  ?   ?    64.502   27.752 0.000000 27.75164 
1 1 1   -1   26   32 o   54.882   25.374  -1.4589   8.4874 -19.8300   21.950   1.7707   9.2032   64.940   32.382   61.078   27.533 3.861622 42.50450 
1 1 1   -1   26   33 o   65.404   28.032   5.6959   8.4892   20.470   22.206   3.1671   9.1870   85.607   40.069   62.091   27.787 23.51593 48.76131 
1 1 1   -1   26   34 o  101.627   30.958   21.033   8.8841   22.110   18.021   20.688   10.211   85.852   38.630   96.058   33.453 -10.20580 51.10164 
1 1 1   -1   26   35 o   62.212   28.526   3.8357   10.419   0.0000   0.0000   3.8357   10.419  ?   ?    62.212   28.526 0.000000 28.52629 
1 1 1   -1   26   36 o   48.995   23.902  -7.2195   9.8945 -20.0800   23.661  -4.4939   10.893   59.995   30.387   53.189   25.746 6.805744 39.82750 
1 1 1   -1   26   37 o   51.100   24.127  -1.0665   8.3643 -12.4800   20.848   1.1231   9.1314   59.001   29.717   55.055   25.745 3.946072 39.31781 
1 1 1   -1   26   38 o   37.913   19.039 -15.6257   8.2327 -58.7000   23.211  -9.4269   8.8052   48.764   25.076   43.526   21.494 5.237988 33.02694 
1 1 1   -1   26   39 o   42.743   20.929  -6.4722   7.7937 -15.9500   16.198  -3.6171   8.8905   50.870   25.692   47.679   23.122 3.191875 34.56479 
1 1 1   -1   26   40 o   77.042   30.038   16.756   8.6480   40.980   23.798   13.071   9.2825   72.622   35.761   67.870   29.206 4.752937 46.17216 
1 1 1   -1   27    1 o  271.228   18.531   97.804   12.941  105.461   19.832   92.125   17.078  277.250   27.998  260.137   25.680 17.11337 37.99164 
1 1 1   -1   27    2 o  183.084   25.324   45.956   11.688   48.709   17.892   43.907   15.437  182.272   39.070  174.592   35.346 7.680679 52.68641 
1 1 1   -1   27    3 o   99.612   33.392   13.331   10.153   16.042   15.711   11.386   13.303  112.283   41.215   99.630   37.658 12.65317 55.82793 
1 1 1   -1   27    4 o  337.193   15.716  149.720   13.726  145.350   20.258  153.429   18.664  327.884   24.020  338.365   21.405 -10.48059 32.17310 
1 1 1   -1   27    5 o  263.851   19.144   92.919   12.995  101.920   19.227   85.349   17.632  272.168   27.656  248.766   27.841 23.40176 39.24232 
1 1 1   -1   27    6 o  240.182   19.742   77.303   12.174  102.439   18.469   57.991   16.189  273.301   26.418  202.301   31.954 71.00031 41.46038 
1 1 1   -1   27    7 o  144.176   30.799   29.790   11.153   40.772   17.677   22.527   14.375  163.964   41.565  124.144   39.622 39.81950 57.42423 
1 1 1   -1   27    8 o  497.542   12.847  324.867   16.557  299.503   23.823  348.565   23.027  473.759   19.413  512.617   17.342 -38.85797 26.03065 
1 1 1   -1   27    9 o  331.298   15.406  145.029   13.221  152.554   19.687  138.849   17.842  335.178   22.811  320.461   21.621 14.71689 31.42939 
1 1 1   -1   27   10 f  417.626   14.666  230.304   15.865  246.682   23.605  216.811   21.426  427.690   21.307  400.941   20.701 26.74841 29.70782 
1 1 1   -1   27   11 o  201.550   22.962   55.890   11.774   70.048   17.573   44.358   15.860  220.508   31.676  171.692   36.771 48.81609 48.53305 
1 1 1   -1   27   12 o  388.728   15.047  200.313   15.151  178.469   22.382  218.791   20.585  359.801   24.155  402.952   19.722 -43.15042 31.18404 
1 1 1   -1   27   13 o  221.412   21.526   67.288   12.190   49.265   18.079   82.311   16.506  177.068   40.320  241.473   26.843 -64.40549 48.43819 
1 1 1   -1   27   14 o  261.908   19.778   93.437   13.319   91.937   19.284   94.805   18.416  251.906   30.153  257.636   28.049 -5.729584 41.18209 
1 1 1   -1   27   15 o  339.392   16.329  154.262   14.356  125.663   20.121  183.913   20.488  297.703   26.365  365.435   21.742 -67.73169 34.17371 
1 1 1   -1   27   16 o  267.165   19.014   97.391   13.073   82.837   17.980  113.712   19.041  237.752   29.853  282.432   26.330 -44.67957 39.80572 
1 1 1   -1   27   17 o  238.980   20.688   78.999   12.680   68.870   19.545   86.360   16.662  208.872   37.504  244.946   26.693 -36.07391 46.03310 
1 1 1   -1   27   18 o  142.017   32.081   31.113   11.523   36.307   15.656   24.972   17.022  147.323   39.997  121.445   43.118 25.87848 58.81289 
1 1 1   -1   27   19 o  148.236   33.363   34.583   12.501   17.670   21.919   42.737   15.219  109.863   45.965  161.975   37.075 -52.11229 59.05373 
1 1 1   -1   27   20 o  119.917   37.001   24.056   12.642 -21.1000   24.139   41.120   14.839   78.609   38.118  157.732   36.964 -79.12302 53.09727 
1 1 1   -1   27   21 f   59.747   29.426 -25.0600   16.137   0.0000   0.0000 -25.0600   16.137  ?   ?    59.747   29.426 0.000000 29.42613 
1 1 1   -1   27   22 o   90.412   31.627   12.743   9.1319   3.3550   28.566   13.811   9.6376   96.484   45.251   93.313   32.500 3.170799 55.71273 
1 1 1   -1   27   23 o   60.429   26.371   1.0167   7.7873 -18.3000   25.614   2.9840   8.1742   78.810   38.450   65.265   27.727 13.54475 47.40445 
1 1 1   -1   27   24 o   95.073   30.131   14.908   8.3248   8.0060   25.799   15.710   8.7953   93.318   43.517   97.001   30.995 -3.682907 53.42686 
1 1 1   -1   27   25 o   43.863   21.419 -11.6910   7.9987 -18.4700   24.485 -10.8811   8.4630   74.548   36.623   46.268   22.466 28.27953 42.96485 
1 1 1   -1   27   26 o   61.178   26.233   2.6724   7.4402   35.430   23.159  -1.0976   7.8566  114.990   47.605   55.650   25.230 59.34027 53.87703 
1 1 1   -1   27   27 o  101.239   27.773   17.216   7.5026   18.380   22.356   17.068   7.9645   94.269   42.665   99.661   29.062 -5.391968 51.62218 
1 1 1   -1   27   28 o   67.464   28.362   5.3426   8.4083 -63.7900   22.481   16.586   9.0663   53.852   27.496   95.137   31.547 -41.28418 41.84740 
1 1 1   -1   27   29 o   48.686   23.434  -7.9095   8.7196   0.0000   0.0000  -7.9095   8.7196  ?   ?    48.686   23.434 0.000000 23.43423 
1 1 1   -1   27   30 o   57.257   25.882   0.5965   8.1986   0.0000   0.0000   0.5965   8.1986  ?   ?    57.257   25.882 0.000000 25.88199 
1 1 1   -1   27   31 o   62.682   27.431   4.0456   8.4782   0.4707   22.307   4.6491   9.1660   73.409   35.830   64.735   28.420 8.674782 45.73265 
1 1 1   -1   27   32 o   77.194   30.148   11.699   8.7221   15.450   22.338   11.024   9.4741   79.720   38.144   75.372   30.742 4.348068 48.99020 
1 1 1   -1   27   33 o   50.774   24.234  -3.9048   8.9004  -9.4650   17.560  -1.9825   10.325   60.491   29.959   55.714   26.453 4.776978 39.96622 
1 1 1   -1   27   34 o   49.661   24.152  -6.5875   9.8859   0.0000   0.0000  -6.5875   9.8859  ?   ?    49.661   24.152 0.000000 24.15231 
1 1 1   -1   27   35 o   44.090   21.971 -13.8827   10.034 -25.2700   24.013 -11.4738   11.044   57.719   29.373   47.740   23.664 9.978893 37.71970 
1 1 1   -1   27   36 o   58.775   26.162   5.2154   8.0278   0.0701   18.262   6.4477   8.9375   61.357   30.417   61.351   27.435 0.5916595E-02 40.96187 
1 1 1   -1   27   37 o   54.532   25.703   1.8894   9.4190  -7.7910   23.424   3.7566   10.287   59.151   29.989   57.454   27.013 1.696198 40.36137 
1 1 1   -1   27   38 o   64.097   27.684   9.8011   8.4017 -14.7000   20.390   14.812   9.2209   53.825   27.359   72.590   30.044 -18.76572 40.63449 
1 1 1   -1   27   39 o   66.923   29.124   13.416   9.4411   28.370   23.192   10.446   10.336   65.770   32.871   61.645   28.320 4.124561 43.38855 
1 1 1   -1   28    1 o   92.126   33.796   10.618   10.561   15.319   15.553   6.5959   14.387  108.613   40.790   91.375   37.646 17.23793 55.50729 
1 1 1   -1   28    2 o   94.212   35.114   10.925   11.483  -2.3016   16.920   22.219   15.635   84.798   37.847  122.454   41.437 -37.65594 56.11906 
1 1 1   -1   28    3 o  134.143   33.152   26.563   11.453   19.834   17.709   31.402   15.016  118.723   43.730  143.236   39.291 -24.51222 58.78811 
1 1 1   -1   28    4 o  305.795   16.060  124.366   12.677  118.692   18.109  129.817   17.752  294.052   23.984  308.727   22.350 -14.67499 32.78336 
1 1 1   -1   28    5 o  151.414   31.082   33.388   11.782   32.199   17.440   34.386   15.981  142.816   43.346  148.795   40.415 -5.978348 59.26451 
1 1 1   -1   28    6 o  218.428   22.320   65.434   12.451   60.523   19.074   69.081   16.436  199.891   38.231  220.078   29.580 -20.18735 48.33855 
1 1 1   -1   28    7 o  350.111   13.823  161.923   12.536  141.206   18.381  179.941   17.142  321.366   22.217  366.556   18.054 -45.18927 28.62775 
1 1 1   -1   28    8 o  177.119   26.578   44.479   11.817   37.745   17.622   49.982   15.930  153.094   42.782  182.587   34.955 -29.49341 55.24632 
1 1 1   -1   28    9 o  113.757   35.514   19.567   11.607   24.332   16.933   15.345   15.942  124.496   43.095  106.850   41.022 17.64628 59.49801 
1 1 1   -1   28   10 o  260.008   19.288   91.911   12.898   87.642   19.255   95.385   17.371  245.047   31.031  259.890   26.160 -14.84259 40.58643 
1 1 1   -1   28   11 o  253.772   20.036   88.121   13.063   99.290   19.724   79.394   17.436  261.540   29.638  233.812   29.441 27.72781 41.77563 
1 1 1   -1   28   12 o  179.434   29.645   47.390   13.298   34.137   20.078   57.746   17.748  139.961   46.958  192.432   36.949 -52.47115 59.75238 
1 1 1   -1   28   13 o  316.370   15.621  134.100   12.801  145.084   18.951  124.884   17.360  322.390   22.841  299.280   22.560 23.11023 32.10416 
1 1 1   -1   28   14 o  269.761   19.890  100.224   13.801  103.484   20.664   97.599   18.542  263.623   30.844  258.755   28.117 4.868347 41.73610 
1 1 1   -1   28   15 o  106.933   35.195   17.960   11.292   9.0499   15.610   27.742   16.356   92.729   38.793  127.047   42.383 -34.31805 57.45623 
1 1 1   -1   28   16 o   85.564   33.349   9.3089   10.657   18.837   16.851   2.9583   13.757  108.914   42.079   80.211   35.026 28.70329 54.74887 
1 1 1   -1   28   17 o  102.203   34.529   16.559   10.857   22.333   15.051   10.296   15.675  114.446   40.555   93.247   38.930 21.19933 56.21581 
1 1 1   -1   28   18 o  135.126   36.483   30.695   13.068   37.850   25.277   28.085   15.267  133.160   51.512  125.380   40.906 7.779915 65.77838 
1 1 1   -1   28   19 o   83.245   39.015  -4.3570   21.174   0.0000   0.0000  -4.3570   21.174  ?   ?    83.245   39.015 0.000000 39.01538 
1 1 1   -1   28   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   28   21 o   55.725   25.450  -2.4828   8.1838 -12.2800   19.498  -0.3878   9.0164   72.718   35.012   61.436   27.508 11.28188 44.52574 
1 1 1   -1   28   22 o   85.834   29.505   11.848   7.9308   31.480   23.383   9.2960   8.4305  114.861   47.716   79.037   29.953 35.82340 56.33791 
1 1 1   -1   28   23 o  125.893   26.767   25.277   8.4601   35.320   24.959   23.974   8.9924  115.084   48.648  120.291   29.162 -5.206345 56.71913 
1 1 1   -1   28   24 o   60.230   26.735   1.0109   8.3257   52.040   24.055  -5.9338   8.8742  135.344   50.748   52.246   24.724 83.09790 56.45048 
1 1 1   -1   28   25 o   42.694   20.662  -8.4696   7.0051 -11.9100   20.708  -8.0251   7.4440   70.426   34.406   44.809   21.589 25.61702 40.61834 
1 1 1   -1   28   26 o   64.303   27.070   4.5169   7.6774   7.2040   19.192   4.0049   8.3769   80.912   37.665   64.584   27.768 16.32825 46.79455 
1 1 1   -1   28   27 o   71.518   28.689   7.8078   8.0979 -23.6800   18.615   15.157   8.9935   59.879   29.852   89.906   31.390 -30.02736 43.31858 
1 1 1   -1   28   28 o   88.256   31.664   15.093   9.2023   0.0000   0.0000   15.093   9.2023  ?   ?    88.256   31.664 0.000000 31.66375 
1 1 1   -1   28   29 f   54.037   24.934  -1.0215   8.1352   0.0000   0.0000  -1.0215   8.1352  ?   ?    54.037   24.934 0.000000 24.93376 
1 1 1   -1   28   30 o   48.796   23.222  -4.4737   8.0463 -17.9500   22.248  -2.4458   8.6305   63.395   31.760   52.710   24.770 10.68478 40.27671 
1 1 1   -1   28   31 o   59.940   26.365   4.0940   7.9210   27.810   22.099   0.5979   8.4848   85.859   40.118   55.438   25.539 30.42040 47.55704 
1 1 1   -1   28   32 o   63.401   28.345   5.8712   9.5347   12.320   17.823   3.2856   11.285   72.662   34.574   61.671   28.767 10.99026 44.97626 
1 1 1   -1   28   33 f   52.208   25.343  -4.6209   10.749   0.0000   0.0000  -4.6209   10.749  ?   ?    52.208   25.343 0.000000 25.34324 
1 1 1   -1   28   34 o   50.871   24.253  -1.5738   8.8606 -54.1400   23.851   6.8423   9.5436   50.417   25.913   62.250   28.052 -11.83284 38.18863 
1 1 1   -1   28   35 o   64.824   27.185   8.9956   7.6949  -3.9850   19.840   11.294   8.3484   58.987   29.613   69.120   28.596 -10.13388 41.16588 
1 1 1   -1   28   36 o   42.868   21.186  -8.4043   8.6136 -23.6600   22.422  -5.7631   9.3295   53.261   27.215   46.366   22.743 6.895489 35.46728 
1 1 1   -1   28   37 f   48.786   23.451  -0.6722   8.6622  -0.5179   22.887  -0.6979   9.3584   57.549   29.225   49.721   24.018 7.828201 37.82845 
1 1 1   -1   28   38 o   45.528   22.291  -3.2165   8.8361   7.7690   20.719  -5.6586   9.7689   57.306   28.956   45.121   22.347 12.18490 36.57637 
1 1 1   -1   29    1 o  183.169   25.628   47.590   11.827   20.999   17.116   71.887   16.361  117.332   43.025  223.175   28.986 -105.8436 51.87844 
1 1 1   -1   29    2 o  210.003   23.523   61.582   12.576   44.054   18.953   75.369   16.809  162.945   43.912  228.427   29.067 -65.48239 52.66101 
1 1 1   -1   29    3 o  151.442   29.801   33.799   11.274   51.004   17.405   21.362   14.798  180.318   38.438  117.198   40.302 63.11978 55.69341 
1 1 1   -1   29    4 o   71.007   31.151   0.0187   10.993   13.474   16.771 -10.1176   14.557  103.463   41.364   68.896   32.309 34.56671 52.48658 
1 1 1   -1   29    5 o  220.837   21.851   67.590   12.336   41.503   17.943   90.969   16.986  158.111   42.776  252.923   26.313 -94.81224 50.22073 
1 1 1   -1   29    6 o   97.601   35.558   13.449   11.663   14.552   18.061   12.660   15.275  105.908   42.718   99.852   39.618 6.055382 58.26133 
1 1 1   -1   29    7 o  222.316   20.666   68.250   11.765   52.600   16.981   82.696   16.315  182.941   37.103  240.139   26.679 -57.19807 45.69907 
1 1 1   -1   29    8 o  232.232   20.831   74.643   12.398   79.869   18.748   70.581   16.528  230.564   32.276  218.622   29.975 11.94220 44.04818 
1 1 1   -1   29    9 o  144.151   33.144   32.186   12.117   36.468   17.832   28.512   16.516  145.038   43.788  129.542   42.561 15.49573 61.06415 
1 1 1   -1   29   10 o  104.192   34.332   16.792   10.744   25.043   15.652   9.4390   14.776  122.134   41.459   92.395   38.118 29.73845 56.31916 
1 1 1   -1   29   11 o  199.089   25.021   57.043   12.618   70.727   18.750   45.714   17.060  212.244   35.348  165.196   40.240 47.04817 53.56063 
1 1 1   -1   29   12 o  110.756   33.803   19.500   10.585   31.475   15.681   9.4783   14.345  134.856   41.142   91.016   37.556 43.84093 55.70506 
1 1 1   -1   29   13 o   72.600   30.971   3.1838   10.276 -10.1117   16.198   12.139   13.293   71.014   33.543   93.914   37.054 -22.89979 49.98189 
1 1 1   -1   29   14 o   73.842   31.488   3.6456   10.613  -5.2575   15.100   12.337   14.919   72.605   33.665   95.203   38.675 -22.59811 51.27499 
1 1 1   -1   29   15 o   86.583   34.019   10.133   11.161   9.0458   16.910   10.973   14.857   91.692   39.439   92.192   38.145 -0.4995804 54.86741 
1 1 1   -1   29   16 o   97.226   35.423   15.210   11.575   11.310   21.316   16.840   13.784   97.670   43.094  101.041   38.298 -3.371109 57.65255 
1 1 1   -1   29   17 o   93.446   42.329   7.7620   22.061   0.0000   0.0000   7.7620   22.061  ?   ?    93.446   42.329 0.000000 42.32903 
1 1 1   -1   29   18 o   92.171   39.053   12.215   16.145   12.215   16.145   0.0000   0.0000   92.171   39.053  ?   ?  0.000000 39.05307 
1 1 1   -1   29   19 o   55.642   26.485  -8.2359   10.480 -12.4182   15.055  -4.3044   14.597   63.545   30.638   69.423   32.492 -5.878689 44.65899 
1 1 1   -1   29   20 o   65.106   29.855  -1.3987   11.414   13.650   21.951  -6.9753   13.363   93.862   42.397   63.623   30.175 30.23895 52.03862 
1 1 1   -1   29   21 o   87.302   30.088   12.855   8.2497   5.2430   19.365   14.543   9.1186   82.735   38.279   91.443   31.626 -8.707924 49.65329 
1 1 1   -1   29   22 o   59.173   26.208   1.1206   7.9587 -23.0600   18.988   6.2742   8.7659   62.490   30.986   70.576   29.258 -8.085255 42.61647 
1 1 1   -1   29   23 o   48.258   23.072  -6.8962   8.1365   16.810   18.928 -12.2694   9.0115   90.809   40.309   46.027   22.530 44.78204 46.17865 
1 1 1   -1   29   24 o   57.354   25.432   1.2602   7.5152 -11.9800   17.965   4.0686   8.2739   65.184   31.887   64.166   27.593 1.018387 42.16814 
1 1 1   -1   29   25 o   49.007   23.059  -4.0328   7.5205 -27.2000   16.105   2.4281   8.5048   53.689   26.915   61.173   27.094 -7.484364 38.19016 
1 1 1   -1   29   26 o   40.429   19.969 -12.5350   7.6180 -28.4200   16.695  -8.3574   8.5614   53.683   26.979   47.158   22.827 6.524899 35.34046 
1 1 1   -1   29   27 o   73.101   30.081   9.2541   9.1723   0.0000   0.0000   9.2541   9.1723  ?   ?    73.101   30.081 0.000000 30.08110 
1 1 1   -1   29   28 o   87.069   30.854   15.530   8.7118   0.0000   0.0000   15.530   8.7118  ?   ?    87.069   30.854 0.000000 30.85375 
1 1 1   -1   29   29 o   45.369   21.846  -5.8441   7.5940 -20.1000   21.828  -3.8812   8.0999   60.626   30.519   48.939   23.292 11.68687 38.39198 
1 1 1   -1   29   30 o   82.968   29.117   14.498   7.7428 -24.0800   21.952   19.979   8.2747   57.942   29.338   97.648   29.903 -39.70592 41.89209 
1 1 1   -1   29   31 o   57.237   27.681  -1.5273   12.521 -16.0600   17.460   13.860   17.966   54.920   27.600   71.448   34.192 -16.52805 43.94117 
1 1 1   -1   29   32 o   40.356   20.065 -11.7546   8.1783   0.0000   0.0000 -11.7546   8.1783  ?   ?    40.356   20.065 0.000000 20.06520 
1 1 1   -1   29   33 o   44.758   22.191  -9.9529   9.7302   23.910   23.357 -17.0633   10.703   70.620   34.898   42.652   21.458 27.96766 40.96746 
1 1 1   -1   29   34 o   55.369   25.716   3.8283   8.8653   4.8560   20.668   3.5966   9.8140   60.986   30.562   55.868   26.304 5.118198 40.32231 
1 1 1   -1   29   35 o   60.607   26.983   8.3817   8.5444   21.370   21.312   5.8943   9.3268   65.673   32.608   57.074   26.462 8.599110 41.99478 
1 1 1   -1   29   36 o   74.053   30.507   17.759   9.4474  -3.6160   23.586   21.844   10.311   55.275   28.217   79.101   32.145 -23.82692 42.77244 
1 1 1   -1   29   37 o   64.931   27.264   12.338   7.7548  -4.5510   18.453   15.961   8.5461   51.408   26.120   70.314   28.997 -18.90632 39.02688 
1 1 1   -1   30    1 o  119.727   34.856   22.918   11.465   21.517   18.126   23.852   14.803  114.665   43.809  119.499   40.319 -4.834084 59.53889 
1 1 1   -1   30    2 o  125.978   33.500   25.077   11.121   31.098   16.125   19.615   15.358  134.226   41.851  110.556   40.723 23.66971 58.39423 
1 1 1   -1   30    3 o   74.864   32.672   1.7949   11.954   3.5850   18.033   0.3916   15.966   88.976   39.427   81.633   36.575 7.342178 53.77950 
1 1 1   -1   30    4 o   83.600   32.257   8.8591   9.8921   2.9601   14.702   13.738   13.371   82.236   36.052   97.780   37.563 -15.54379 52.06422 
1 1 1   -1   30    5 o  211.458   23.308   63.658   12.555   50.559   18.423   75.015   17.155  171.675   41.816  222.992   30.499 -51.31625 51.75712 
1 1 1   -1   30    6 o  144.259   30.134   31.841   10.897   21.274   16.295   40.391   14.657  112.928   41.880  157.401   36.636 -44.47217 55.64320 
1 1 1   -1   30    7 o   83.618   33.173   8.4998   10.709   14.418   15.030   2.3978   15.262   99.619   39.370   82.004   36.308 17.61449 53.55635 
1 1 1   -1   30    8 o   54.201   25.894 -10.4802   10.210 -22.9494   14.974   0.3537   13.957   58.550   28.739   76.616   34.271 -18.06634 44.72593 
1 1 1   -1   30    9 o  144.952   30.662   32.660   11.153   30.211   17.100   34.474   14.713  128.487   43.335  141.676   38.904 -13.18874 58.23610 
1 1 1   -1   30   10 o  125.742   32.345   25.381   10.595   22.046   16.216   27.865   13.996  112.332   41.755  126.493   38.916 -14.16166 57.07811 
1 1 1   -1   30   11 o  205.651   23.171   61.102   12.128   69.173   18.231   54.695   16.243  205.847   35.472  182.411   35.655 23.43564 50.29448 
1 1 1   -1   30   12 o   86.004   33.361   10.435   10.624   23.566   16.585   1.2961   13.836  113.397   42.212   76.174   34.094 37.22261 54.26132 
1 1 1   -1   30   13 o  115.710   33.047   22.296   10.397   2.7243   15.961   36.720   13.702   81.048   36.423  146.278   36.328 -65.23046 51.44221 
1 1 1   -1   30   14 f   63.692   30.326  -9.6359   13.762   0.0000   0.0000  -9.6359   13.762  ?   ?    63.692   30.326 0.000000 30.32648 
1 1 1   -1   30   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   30   16 o   54.152   26.286 -13.3138   11.562 -14.7370   14.379 -10.7100   19.449   60.233   29.255   72.758   35.015 -12.52501 45.62827 
1 1 1   -1   30   17 o   68.645   29.141   4.4177   9.0175   5.0340   13.321   3.8963   12.252   76.800   33.966   73.618   32.566 3.181755 47.05596 
1 1 1   -1   30   18 o   46.734   22.986 -15.0629   9.7362 -27.6210   14.197  -3.9111   13.378   51.317   25.658   65.822   30.902 -14.50558 40.16543 
1 1 1   -1   30   19 o  105.075   33.378   20.480   10.211   31.237   15.057   11.321   13.894  119.869   40.663   84.155   35.960 35.71426 54.28220 
1 1 1   -1   30   20 o   87.144   31.622   13.647   9.2110   8.8705   12.011   20.466   14.351   78.042   33.394   97.757   38.523 -19.71514 50.98172 
1 1 1   -1   30   21 o   55.132   26.455  -7.5920   10.916 -36.4400   22.309   1.4884   12.516   60.778   30.628   67.744   31.138 -6.965408 43.67634 
1 1 1   -1   30   22 o   61.461   27.194   2.5162   8.5471  -5.3620   21.323   4.0244   9.3294   72.127   35.165   65.400   28.694 6.726509 45.38625 
1 1 1   -1   30   23 o   99.928   30.254   18.711   8.5034   10.980   21.354   20.168   9.2700   81.436   38.481  102.018   31.719 -20.58181 49.86867 
1 1 1   -1   30   24 o   46.957   22.456  -5.7857   7.7181   27.790   19.910 -11.7239   8.3729   95.433   41.892   43.405   21.342 52.02885 47.01553 
1 1 1   -1   30   25 o   62.230   27.259   4.1599   8.3902   8.3840   20.793   3.3383   9.1700   76.266   36.573   62.086   27.774 14.18026 45.92401 
1 1 1   -1   30   26 o   63.157   27.853   4.7875   8.8954   0.0000   0.0000   4.7875   8.8954  ?   ?    63.157   27.853 0.000000 27.85346 
1 1 1   -1   30   27 o   65.076   27.368   6.9113   7.8343   0.0000   0.0000   6.9113   7.8343  ?   ?    65.076   27.368 0.000000 27.36795 
1 1 1   -1   30   28 o   44.147   21.290  -5.4945   7.2789 -11.1700   21.965  -4.7943   7.7148   62.003   31.131   46.132   22.164 15.87068 38.21514 
1 1 1   -1   30   29 o   57.592   27.083   1.8514   10.349 -39.7300   21.282   14.731   11.844   51.666   26.410   74.647   32.551 -22.98039 41.91677 
1 1 1   -1   30   30 o   50.360   25.107 -11.5508   13.169 -20.6000   17.863  -0.7757   19.492   52.340   26.498   61.226   30.527 -8.885590 40.42333 
1 1 1   -1   30   31 o   75.089   32.255   17.255   11.284   0.0000   0.0000   17.255   11.284  ?   ?    75.089   32.255 0.000000 32.25480 
1 1 1   -1   30   32 o   54.279   25.556   2.8297   9.2642   21.040   23.406  -0.5530   10.088   66.621   33.255   51.755   24.986 14.86596 41.59547 
1 1 1   -1   30   33 o   41.410   20.683 -11.1824   9.1133 -28.2600   22.381  -7.7882   9.9779   50.878   26.086   45.230   22.433 5.648106 34.40517 
1 1 1   -1   30   34 o   52.163   24.488   3.4344   8.4004  -1.0080   17.311   4.8028   9.6075   54.269   27.301   54.477   25.763 -0.2078857 37.53779 
1 1 1   -1   30   35 o   52.639   25.038   4.5878   9.3308   13.580   23.127   2.8394   10.198   57.577   29.253   51.404   24.889 6.173050 38.40873 
1 1 1   -1   30   36 o   48.583   23.530   2.2121   9.1292   15.280   22.135  -0.4664   10.021   55.546   28.261   47.105   23.198 8.440861 36.56220 
1 1 1   -1   31    1 o  179.175   25.684   47.557   11.579   23.362   15.704   76.383   17.141  114.313   41.320  222.192   30.594 -107.8792 51.41307 
1 1 1   -1   31    2 o  103.583   34.790   17.633   11.021   14.636   15.400   20.778   15.778   98.246   39.509  109.208   41.070 -10.96227 56.98874 
1 1 1   -1   31    3 o  244.577   19.203   83.607   12.068   83.926   17.165   83.294   16.969  234.809   28.827  234.228   28.560 0.5815582 40.57915 
1 1 1   -1   31    4 o  211.489   22.075   64.147   11.915   52.843   17.796   73.333   16.042  173.108   40.420  219.003   28.990 -45.89404 49.74195 
1 1 1   -1   31    5 o  152.613   28.198   35.746   10.737   29.938   15.342   41.320   15.030  127.627   40.954  154.786   37.811 -27.15911 55.73935 
1 1 1   -1   31    6 o  190.430   34.976   59.753   16.617   0.0000   0.0000   59.753   16.617  ?   ?   190.430   34.976 0.000000 34.97594 
1 1 1   -1   31    7 o  141.321   29.254   31.330   10.356   32.120   14.490   30.505   14.807  133.221   39.300  128.824   40.093 4.397858 56.14183 
1 1 1   -1   31    8 o  100.273   35.254   16.945   11.353   17.873   16.609   16.131   15.554  102.034   41.031   98.911   39.731 3.123466 57.11524 
1 1 1   -1   31    9 o  143.831   30.370   33.187   10.960   25.632   16.172   39.604   14.904  115.203   41.886  148.583   38.435 -33.37949 56.84835 
1 1 1   -1   31   10 o   88.195   37.495   10.277   14.966   0.0000   0.0000   10.277   14.966  ?   ?    88.195   37.495 0.000000 37.49463 
1 1 1   -1   31   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   31   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   31   13 o   83.832   35.514   9.7813   13.348   9.7813   13.348   0.0000   0.0000   83.832   35.514  ?   ?  0.000000 35.51449 
1 1 1   -1   31   14 o   52.787   25.498 -10.7009   10.543 -11.7903   16.084  -9.8802   13.960   64.832   31.359   61.966   29.782 2.866524 43.24768 
1 1 1   -1   31   15 o   67.049   29.248   3.4487   9.5702   3.3304   15.444   3.5224   12.194   76.062   34.823   71.740   32.065 4.322304 47.33742 
1 1 1   -1   31   16 o   73.303   30.184   7.4394   9.2432   26.172   13.816  -7.7374   12.436  110.860   38.896   59.371   28.422 51.48929 48.17334 
1 1 1   -1   31   17 o   79.379   31.219   10.568   9.4079   22.179   15.426   3.6923   11.871   99.140   39.658   69.993   31.436 29.14716 50.60581 
1 1 1   -1   31   18 o   52.744   25.044  -5.5098   9.2582   3.0000   13.224 -13.6909   12.966   70.241   32.182   54.983   26.938 15.25824 41.96823 
1 1 1   -1   31   19 o   54.047   25.600  -4.6757   9.5572 -13.8589   13.611   4.2557   13.423   55.759   27.375   71.074   32.512 -15.31554 42.50216 
1 1 1   -1   31   20 o   84.096   32.119   13.800   9.7415   26.845   15.064   4.4242   12.771  102.859   39.773   69.726   31.825 33.13261 50.93837 
1 1 1   -1   31   21 o   59.858   28.454  -3.2306   12.016   8.2040   23.414  -7.3185   14.000   78.543   37.953   59.902   29.042 18.64112 47.79042 
1 1 1   -1   31   22 o  106.987   30.730   22.287   8.9657   12.900   21.774   24.203   9.8385   79.687   37.999  109.139   32.430 -29.45280 49.95613 
1 1 1   -1   31   23 o   50.335   23.653  -2.6960   7.8701  -7.5390   20.052  -1.8142   8.5567   65.538   32.377   53.178   24.885 12.36036 40.83540 
1 1 1   -1   31   24 o   52.136   24.472  -1.8810   8.3850 -11.2200   21.228  -0.1545   9.1272   63.697   31.775   55.870   25.997 7.827133 41.05488 
1 1 1   -1   31   25 o   69.100   28.350   9.0129   8.1171   0.0000   0.0000   9.0129   8.1171  ?   ?    69.100   28.350 0.000000 28.35017 
1 1 1   -1   31   26 o   59.486   26.169   4.8190   7.8060   0.0000   0.0000   4.8190   7.8060  ?   ?    59.486   26.169 0.000000 26.16908 
1 1 1   -1   31   27 o   62.374   26.615   7.0026   7.5912 -11.7700   22.065   9.5229   8.0848   59.626   30.099   67.560   28.061 -7.934025 41.15052 
1 1 1   -1   31   28 o   64.317   29.328   8.7752   10.813   10.440   21.224   8.1917   12.566   65.970   32.719   63.816   29.956 2.153851 44.36141 
1 1 1   -1   31   29 o   59.467   28.544   5.0775   12.733   0.0000   0.0000   5.0775   12.733  ?   ?    59.467   28.544 0.000000 28.54446 
1 1 1   -1   31   30 o   72.414   31.111   16.412   10.502 -20.7700   20.699   29.300   12.186   52.094   26.579   90.392   35.537 -38.29804 44.37749 
1 1 1   -1   31   31 o   48.187   23.107  -0.5398   8.2985 -31.2000   22.402   4.3366   8.9341   49.911   25.624   54.418   25.453 -4.507408 36.11711 
1 1 1   -1   31   32 o   50.319   24.142   1.4136   9.0853 -31.5500   22.830   7.6165   9.9032   49.073   25.221   57.436   26.843 -8.362713 36.83303 
1 1 1   -1   31   33 o   40.501   20.172  -8.1776   8.4123   2.1470   18.206 -10.9802   9.4856   53.816   27.187   40.806   20.484 13.00940 34.03990 
1 1 1   -1   31   34 o   44.893   21.846  -0.8373   8.1190 -11.1000   22.171   0.7521   8.7251   49.714   25.521   47.037   22.833 2.677155 34.24416 
1 1 1   -1   31   35 o   40.803   20.354  -5.7559   8.7082   22.000   23.510 -10.1696   9.3750   54.460   27.831   39.285   19.804 15.17507 34.15817 
1 1 1   -1   32    1 o   50.086   24.851 -22.4930   12.294 -12.8900   19.857 -28.4618   15.655   72.436   34.990   55.309   27.542 17.12704 44.52921 
1 1 1   -1   32    2 o   53.567   26.020 -13.5903   11.379 -26.9200   21.117  -8.1362   13.508   66.803   33.043   63.688   30.244 3.114132 44.79476 
1 1 1   -1   32    3 o   78.555   33.892   6.2400   12.566  -6.4230   20.113   14.347   16.093   76.981   36.656   93.881   39.340 -16.90014 53.77097 
1 1 1   -1   32    4 o   62.861   29.350  -4.6178   11.793 -54.5600   22.101   15.262   13.944   57.925   29.342   94.390   37.723 -36.46465 47.79082 
1 1 1   -1   32    5 o  195.683   47.325   80.340   23.726   0.0000   0.0000   80.340   23.726  ?   ?   195.683   47.325 0.000000 47.32544 
1 1 1   -1   32    6 o  105.981   44.636   24.030   20.889   0.0000   0.0000   24.030   20.889  ?   ?   105.981   44.636 0.000000 44.63595 
1 1 1   -1   32    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   32    8 o   71.233   35.079 -20.2700   22.909 -20.2700   22.909   0.0000   0.0000   71.233   35.079  ?   ?  0.000000 35.07888 
1 1 1   -1   32    9 o   57.108   27.859 -14.7236   13.441 -14.7236   13.441   0.0000   0.0000   57.108   27.859  ?   ?  0.000000 27.85947 
1 1 1   -1   32   10 o   73.277   31.754   5.6119   11.128  -8.2239   16.046   18.429   15.444   66.791   32.056   96.156   39.238 -29.36542 50.66766 
1 1 1   -1   32   11 o   97.912   34.034   18.025   10.566   18.899   15.652   17.294   14.322   95.805   39.344   93.632   37.944 2.173119 54.65994 
1 1 1   -1   32   12 f   97.027   31.984   17.284   9.3245   13.298   13.922   20.527   12.557   86.194   36.378  100.178   36.835 -13.98423 51.77072 
1 1 1   -1   32   13 o   61.363   28.061  -0.1489   9.9879   19.351   15.531 -13.9010   13.043   94.212   38.992   55.398   27.115 38.81464 47.49297 
1 1 1   -1   32   14 o   95.945   32.822   17.810   9.8107   22.247   14.203   13.763   13.567   99.061   38.531   84.925   35.881 14.13578 52.65096 
1 1 1   -1   32   15 o   71.122   30.448   6.9360   9.9946  -1.6908   15.344   13.294   13.173   67.764   32.196   83.163   35.258 -15.39909 47.74609 
1 1 1   -1   32   16 o   42.822   20.980 -10.7387   7.8673  -2.5974   13.058 -15.3779   9.8571   62.934   29.842   45.402   22.479 17.53114 37.36129 
1 1 1   -1   32   17 o   82.602   30.299   12.996   8.4887   9.5446   13.147   15.464   11.117   75.808   33.625   85.838   33.880 -10.03038 47.73320 
1 1 1   -1   32   18 o   79.462   31.049   12.276   9.2552   8.4051   14.890   14.714   11.815   74.383   34.105   82.902   34.131 -8.519958 48.24978 
1 1 1   -1   32   19 o  111.076   32.383   25.176   9.8899   12.891   14.703   35.327   13.365   78.475   35.133  121.946   38.114 -43.47115 51.83699 
1 1 1   -1   32   20 o   59.814   26.737   3.0825   8.4794   7.1212   11.128  -2.5101   13.094   68.884   30.722   60.645   29.067 8.238544 42.29290 
1 1 1   -1   32   21 o   91.423   30.051   17.154   8.2337   12.984   11.282   21.907   12.044   77.001   32.637   92.749   35.645 -15.74889 48.32924 
1 1 1   -1   32   22 o  109.678   28.572   23.340   8.1982   76.330   22.384   15.131   8.8104  141.398   49.514   83.073   30.798 58.32468 58.31071 
1 1 1   -1   32   23 f   50.597   23.482  -0.4030   7.3710 -46.4500   21.792   5.5460   7.8327   51.631   26.418   61.120   26.563 -9.488590 37.46387 
1 1 1   -1   32   24 o   53.515   25.049   0.3555   8.6790   0.0000   0.0000   0.3555   8.6790  ?   ?    53.515   25.049 0.000000 25.04890 
1 1 1   -1   32   25 o   71.552   29.456   12.122   8.7999   0.0000   0.0000   12.122   8.7999  ?   ?    71.552   29.456 0.000000 29.45626 
1 1 1   -1   32   26 o   53.312   25.278   0.9251   9.3644 -15.0200   21.541   4.6406   10.398   55.990   28.425   58.417   27.367 -2.427486 39.45816 
1 1 1   -1   32   27 o   60.389   29.465   6.4917   15.050  -5.2970   21.972   16.910   20.656   57.592   29.182   65.752   32.551 -8.159542 43.71726 
1 1 1   -1   32   28 o   42.380   21.355 -15.5540   10.837   0.0000   0.0000 -15.5540   10.837  ?   ?    42.380   21.355 0.000000 21.35528 
1 1 1   -1   32   29 o   60.997   27.304   9.5987   8.8758   23.690   17.340   4.5961   10.332   67.304   32.556   54.791   26.140 12.51257 41.75166 
1 1 1   -1   32   30 f   69.382   28.298   14.069   8.0275   7.7410   22.590   14.984   8.5880   56.995   28.953   69.745   28.941 -12.74965 40.93718 
1 1 1   -1   32   31 o   51.284   23.877   4.4292   7.7185   27.730   23.213   1.5327   8.1841   60.858   30.739   48.148   23.051 12.71032 38.42164 
1 1 1   -1   32   32 o   44.712   21.738  -0.6759   7.9892  -6.7980   21.182   0.3395   8.6263   50.038   25.636   46.376   22.556 3.661499 34.14682 
1 1 1   -1   32   33 o   51.916   24.048   6.8732   7.6763   15.660   16.936   4.6012   8.6118   54.598   27.403   49.166   23.567 5.431843 36.14269 
1 1 1   -1   32   34 o   57.241   29.264   55.430   26.224   55.430   26.224   0.0000   0.0000   57.241   29.264  ?   ?  0.000000 29.26382 
1 1 1   -1   33    1 o  109.408   40.015   26.141   14.791   26.640   20.514   25.600   21.347  103.649   43.974  101.878   44.064 1.770859 62.25274 
1 1 1   -1   33    2 o   87.326   36.054   13.700   13.232   9.3623   16.378   21.850   22.451   82.758   37.064   97.261   43.488 -14.50286 57.13988 
1 1 1   -1   33    3 o   56.662   27.196  -8.4568   11.552 -16.8765   14.122   8.5730   20.083   56.384   27.723   84.130   38.944 -27.74540 47.80413 
1 1 1   -1   33    4 o   74.028   33.034   5.2666   12.885   15.075   16.226 -11.4800   21.202   89.221   38.504   71.091   34.748 18.12967 51.86485 
1 1 1   -1   33    5 o   75.886   31.288   8.6011   9.9474   6.8090   13.950   10.455   14.189   76.901   34.340   81.888   35.670 -4.986877 49.51321 
1 1 1   -1   33    6 o   90.506   33.738   15.579   10.602   8.0297   15.952   21.551   14.189   79.648   36.044   99.382   38.552 -19.73452 52.77695 
1 1 1   -1   33    7 o  109.560   33.232   22.920   10.253   46.431   15.028   2.4439   14.024  151.092   38.335   71.160   32.801 79.93209 50.45305 
1 1 1   -1   33    8 o   88.797   31.299   14.624   8.9538   5.4443   13.814   21.274   11.758   73.827   33.464  101.073   35.841 -27.24552 49.03511 
1 1 1   -1   33    9 o   69.137   29.748   5.8827   9.6275   18.939   14.015  -5.7839   13.248   92.644   37.538   61.290   29.339 31.35404 47.64281 
1 1 1   -1   33   10 o   67.485   29.389   5.1605   9.6274   3.1915   14.239   6.8188   13.067   70.738   32.762   73.704   33.050 -2.966141 46.53652 
1 1 1   -1   33   11 o   71.730   29.873   7.9915   9.1983   12.551   13.885   4.4255   12.279   81.079   35.303   69.308   31.468 11.77068 47.29163 
1 1 1   -1   33   12 o  106.077   31.429   21.822   9.2503   23.374   13.371   20.397   12.811   98.777   37.653   93.886   36.573 4.891136 52.49118 
1 1 1   -1   33   13 o   75.893   31.541   10.516   10.224   7.2178   15.501   13.056   13.602   73.850   34.196   80.114   34.910 -6.264313 48.86770 
1 1 1   -1   33   14 o   76.793   30.624   11.236   9.1700   26.510   14.712   1.5327   11.726   99.409   39.058   63.556   29.538 35.85259 48.96944 
1 1 1   -1   33   15 o   83.898   30.907   14.374   8.8463   26.021   12.929   4.1209   12.131  101.688   37.378   66.425   30.577 35.26321 48.29142 
1 1 1   -1   33   16 o   72.690   29.273   9.8605   8.4670 -10.1297   13.077   24.290   11.110   54.838   26.905  102.353   34.928 -47.51524 44.08906 
1 1 1   -1   33   17 o   47.258   22.654  -5.1777   7.9618 -28.1274   12.744   9.5129   10.197   44.470   22.498   71.402   30.666 -26.93166 38.03366 
1 1 1   -1   33   18 o   55.072   25.292   0.8688   8.2352  -4.7434   10.841   8.5244   12.662   53.936   26.004   69.849   31.806 -15.91323 41.08331 
1 1 1   -1   33   19 f   66.869   28.794   7.9820   9.0336   5.0711   12.755   10.912   12.796   65.116   30.443   71.765   32.397 -6.648949 44.45618 
1 1 1   -1   33   20 o   51.410   24.389  -2.0369   8.7420  -5.1348   12.573   0.8628   12.164   55.252   26.952   59.597   28.414 -4.344780 39.16317 
1 1 1   -1   33   21 o   59.530   26.862   4.6785   8.7853  -0.4273   12.213   10.154   12.647   57.608   27.730   68.317   31.364 -10.70833 41.86452 
1 1 1   -1   33   22 o   66.183   29.773   9.5123   10.697   7.9470   21.481   10.029   12.336   66.032   32.778   66.708   30.754 -0.6764221 44.94645 
1 1 1   -1   33   23 o   39.921   19.941 -12.9559   8.4799   0.0000   0.0000 -12.9559   8.4799  ?   ?    39.921   19.941 0.000000 19.94079 
1 1 1   -1   33   24 o   63.534   28.481   9.5671   9.6945   0.0000   0.0000   9.5671   9.6945  ?   ?    63.534   28.481 0.000000 28.48053 
1 1 1   -1   33   25 o   49.088   24.770 -13.3592   14.866 -31.8800   22.090   1.9710   20.097   50.144   25.724   58.153   29.275 -8.008621 38.97109 
1 1 1   -1   33   26 o   54.564   26.157   4.0210   10.614   0.0000   0.0000   4.0210   10.614  ?   ?    54.564   26.157 0.000000 26.15667 
1 1 1   -1   33   27 f   39.831   20.016 -12.5156   9.1788 -13.9400   19.431 -12.1064   10.414   50.456   25.745   42.295   21.263 8.161350 33.39029 
1 1 1   -1   33   28 o   60.854   27.134   10.863   8.6758   24.230   20.083   7.7962   9.6198   61.881   30.875   56.071   26.286 5.809555 40.54894 
1 1 1   -1   33   29 o   49.794   23.867   3.1732   8.8320   7.4680   21.462   2.2977   9.6906   54.288   27.640   49.507   24.039 4.780605 36.63166 
1 1 1   -1   33   30 o   45.169   21.971  -0.0049   8.1899  -3.2790   22.801   0.4801   8.7756   50.461   25.903   46.199   22.532 4.261608 34.33158 
1 1 1   -1   33   31 o   55.350   25.936   10.829   9.3488  -2.9840   22.981   13.569   10.234   48.930   25.149   57.445   26.988 -8.515076 36.88922 
1 1 1   -1   33   32 o   46.214   22.603   3.2818   9.0154  -7.9140   18.358   6.8401   10.349   45.256   23.232   49.164   24.082 -3.907852 33.46168 
1 1 1   -1   34    1 o   79.178   32.923   11.786   11.146   15.060   20.993   10.500   13.153   83.670   39.097   77.537   34.043 6.133278 51.84129 
1 1 1   -1   34    2 o   68.875   30.299   5.9285   10.464  -7.8830   19.560   11.465   12.385   67.341   33.012   78.643   33.787 -11.30233 47.23679 
1 1 1   -1   34    3 o   63.392   28.201   3.4732   9.3141  -7.8178   14.891   10.730   11.938   61.215   29.741   77.226   33.174 -16.01138 44.55436 
1 1 1   -1   34    4 o   69.191   29.386   7.0472   9.1767   12.087   13.687   2.9318   12.368   79.297   34.774   66.862   30.814 12.43472 46.46191 
1 1 1   -1   34    5 o  102.451   32.781   21.478   9.8352   38.966   14.495   6.5577   13.389  127.989   39.642   71.843   32.711 56.14664 51.39561 
1 1 1   -1   34    6 o   78.848   32.146   12.148   10.354   5.9590   15.623   16.997   13.827   72.504   33.828   85.612   36.200 -13.10729 49.54572 
1 1 1   -1   34    7 o   63.681   27.923   4.5750   8.8231   4.3067   12.777   4.8196   12.199   68.030   31.340   68.045   31.075 -0.1468658E-01 44.13473 
1 1 1   -1   34    8 o  102.349   32.668   21.900   9.7723   37.644   14.775   9.6552   13.030  120.983   40.279   74.261   33.172 46.72209 52.18037 
1 1 1   -1   34    9 o   75.754   31.063   11.153   9.7383   13.007   14.289   9.5451   13.307   78.144   34.835   73.694   33.174 4.450195 48.10411 
1 1 1   -1   34   10 o   78.777   29.403   12.205   8.0575   12.352   11.793   12.076   11.035   76.931   33.008   76.649   32.371 0.2816391 46.23197 
1 1 1   -1   34   11 o   89.349   32.522   17.712   9.7529   26.810   14.797   10.724   12.968   96.259   38.722   73.944   33.058 22.31458 50.91394 
1 1 1   -1   34   12 o   50.426   24.255  -5.3650   9.3027 -14.9226   14.541   1.2576   12.104   53.913   26.797   61.950   29.181 -8.037094 39.61803 
1 1 1   -1   34   13 o   93.074   32.959   19.968   9.9396   10.290   14.676   28.170   13.510   72.377   33.429  100.133   37.925 -27.75623 50.55470 
1 1 1   -1   34   14 o   75.800   30.352   12.285   9.0461   22.308   13.570   4.2697   12.136   88.116   36.457   64.130   29.886 23.98630 47.14064 
1 1 1   -1   34   15 o   74.351   28.868   11.472   7.9616   2.0426   11.906   19.099   10.708   61.010   28.800   87.054   33.569 -26.04411 44.22972 
1 1 1   -1   34   16 o  130.464   27.157   32.039   8.8790   15.132   12.166   51.306   12.988   76.434   33.162  153.440   33.607 -77.00642 47.21413 
1 1 1   -1   34   17 o  126.074   29.801   32.574   9.5782   28.394   13.569   36.724   13.522   94.296   37.363  111.541   38.516 -17.24477 53.66091 
1 1 1   -1   34   18 o   69.736   28.993   10.829   8.6427   7.9263   13.203   13.005   11.432   65.160   30.625   71.474   31.546 -6.313736 43.96678 
1 1 1   -1   34   19 o   55.401   25.333   3.2355   8.1387  -0.5475   10.705   8.4166   12.528   54.328   26.103   64.346   30.111 -10.01823 39.85042 
1 1 1   -1   34   20 o   59.080   26.660   5.9808   8.6548  -2.5758   11.979   15.324   12.518   53.367   26.092   70.742   31.979 -17.37557 41.27308 
1 1 1   -1   34   21 o   44.092   21.592  -5.8889   8.3026  -6.3546   12.771  -5.5480   10.927   50.910   25.272   49.029   24.160 1.880760 34.96287 
1 1 1   -1   34   22 o   67.967   31.305   16.315   12.740   0.0000   0.0000   16.315   12.740  ?   ?    67.967   31.305 0.000000 31.30457 
1 1 1   -1   34   23 o   78.871   34.447   27.639   13.311   0.0000   0.0000   27.639   13.311  ?   ?    78.871   34.447 0.000000 34.44685 
1 1 1   -1   34   24 o   54.667   26.770   4.6964   12.760   0.0000   0.0000   4.6964   12.760  ?   ?    54.667   26.770 0.000000 26.77015 
1 1 1   -1   34   25 o   36.449   18.497 -17.8504   9.0581 -17.6500   22.269 -17.8902   9.9154   49.861   25.595   38.135   19.353 11.72667 32.08818 
1 1 1   -1   34   26 o   43.341   21.380  -3.8331   8.6342  -8.8130   20.579  -2.7692   9.5120   50.057   25.617   45.308   22.367 4.748985 34.00789 
1 1 1   -1   34   27 o   39.502   19.810  -9.0462   8.7626  -8.2100   17.416  -9.3297   10.140   47.937   24.452   41.499   20.879 6.438023 32.15297 
1 1 1   -1   34   28 o   46.910   22.872   1.9207   9.0229 -25.2800   19.052   9.7856   10.245   43.997   22.628   54.182   25.899 -10.18493 34.39229 
1 1 1   -1   34   29 o   40.158   20.093  -5.7598   8.7737 -23.9100   21.850  -2.2707   9.5799   44.497   22.949   43.259   21.542 1.237610 31.47570 
1 1 1   -1   34   30 o   43.645   21.363   1.4096   8.0997 -15.3500   22.065   4.0198   8.7076   44.468   22.940   46.202   22.514 -1.734051 32.14209 
1 1 1   -1   34   31 o   42.220   20.957   0.6552   8.7781  -1.0160   22.247   0.9634   9.5532   44.930   23.171   42.840   21.362 2.089912 31.51575 
1 1 1   -1   35    1 o   55.529   25.887  -0.2306   9.1192  -4.3661   13.418   3.3194   12.432   58.651   28.435   64.210   30.031 -5.558529 41.35682 
1 1 1   -1   35    2 o   60.765   28.262   1.9729   10.767   10.530   19.485  -1.7885   12.918   73.659   35.345   59.952   28.770 13.70719 45.57382 
1 1 1   -1   35    3 o   89.200   33.440   18.884   10.444   37.870   18.442   9.9195   12.672  101.627   42.310   71.729   32.323 29.89822 53.24392 
1 1 1   -1   35    4 o   70.985   30.551   9.7600   10.160   2.6886   14.852   15.979   13.929   65.399   31.240   79.083   34.866 -13.68311 46.81466 
1 1 1   -1   35    5 o   57.929   26.643   1.8374   9.1825   14.227   14.196  -7.0760   12.041   76.407   34.342   54.070   26.376 22.33610 43.30171 
1 1 1   -1   35    6 o   68.700   29.337   8.7762   9.2362   12.742   14.098   5.7939   12.225   74.314   33.732   65.900   30.463 8.413773 45.45166 
1 1 1   -1   35    7 f   62.368   27.954   5.0977   9.3361   6.0303   13.494   4.2415   12.930   66.633   31.203   64.486   30.308 2.146790 43.49955 
1 1 1   -1   35    8 o   66.392   28.823   7.8066   9.2023   8.1192   13.774   7.5546   12.368   68.483   31.889   67.342   30.952 1.141556 44.44060 
1 1 1   -1   35    9 o   56.771   25.944   2.3380   8.5204  -1.6617   12.504   5.8047   11.641   58.117   27.996   64.551   29.800 -6.433857 40.88762 
1 1 1   -1   35   10 o   55.457   25.280   2.1580   8.0262  -4.8672   11.637   8.5322   11.085   53.998   26.248   67.298   30.288 -13.30028 40.07902 
1 1 1   -1   35   11 o   52.100   24.754  -1.7321   9.0714  -1.5295   13.035  -1.9224   12.632   58.116   28.139   57.342   27.749 0.7735786 39.52016 
1 1 1   -1   35   12 o   96.779   31.828   22.034   9.2357   26.086   12.968   17.862   13.157   91.610   36.454   77.854   34.118 13.75674 49.92934 
1 1 1   -1   35   13 o   45.559   21.762  -3.3168   7.2069   8.8348   9.6862 -18.3857   10.786   65.871   29.057   42.991   21.617 22.88062 36.21591 
1 1 1   -1   35   14 o   49.129   23.273  -1.4085   7.9030  -0.0652   11.214  -2.7338   11.139   55.728   26.760   53.350   25.875 2.377853 37.22377 
1 1 1   -1   35   15 o   89.476   30.945   19.756   8.7299   7.7658   12.424   31.451   12.270   63.299   29.737  100.865   36.513 -37.56668 47.09007 
1 1 1   -1   35   16 o  106.593   30.160   25.951   8.7016   30.077   12.329   21.855   12.283   95.524   36.217   80.417   34.068 15.10720 49.72216 
1 1 1   -1   35   17 o   51.213   24.257   0.6626   8.5803  -2.6090   11.843   4.2775   12.449   52.409   25.691   58.185   28.005 -5.775803 38.00393 
1 1 1   -1   35   18 f   48.820   23.585  -1.6250   9.0279   22.688   13.412 -21.7688   12.208   75.284   33.641   42.332   21.482 32.95199 39.91433 
1 1 1   -1   35   19 o   41.817   20.671  -7.3840   8.2154 -27.8012   12.763   7.0594   10.735   40.624   20.740   57.996   27.368 -17.37165 34.33841 
1 1 1   -1   35   20 o   40.225   20.105 -10.4218   8.6771 -12.2366   12.252  -8.5955   12.291   45.183   22.760   46.968   23.541 -1.785801 32.74454 
1 1 1   -1   35   21 o   53.082   26.222   2.8793   13.147   0.0000   0.0000   2.8793   13.147  ?   ?    53.082   26.222 0.000000 26.22228 
1 1 1   -1   35   22 o   43.846   21.920  -7.2712   10.347  -3.7630   12.102 -16.8000   19.945   47.692   23.823   48.495   24.848 -0.8029938 34.42312 
1 1 1   -1   35   23 o   35.070   17.906 -22.3373   9.5324 -55.2500   22.199 -14.8964   10.555   42.737   22.081   39.819   20.182 2.917332 29.91465 
1 1 1   -1   35   24 o   39.812   19.950  -8.3124   8.8043  -7.7290   21.196  -8.4341   9.6789   49.032   25.157   41.098   20.639 7.934601 32.53980 
1 1 1   -1   35   25 o   43.602   21.378  -0.9429   8.2130   11.020   21.429  -3.0028   8.8920   52.096   26.619   42.817   21.226 9.278439 34.04552 
1 1 1   -1   35   26 o   48.992   23.383   5.4523   8.2831   8.0810   20.239   4.9234   9.0782   50.177   25.657   48.531   23.495 1.646217 34.78891 
1 1 1   -1   35   27 o   62.470   27.606   17.017   8.7806   4.7280   18.233   20.728   10.019   47.945   24.502   63.897   28.772 -15.95272 37.79171 
1 1 1   -1   35   28 o   35.650   18.055 -10.4419   8.3462   13.320   19.691 -15.6457   9.2148   48.330   24.758   34.792   17.750 13.53844 30.46367 
1 1 1   -1   35   29 o   39.310   19.626  -2.0608   8.1702   12.090   22.064  -4.3095   8.7954   46.006   23.696   38.585   19.417 7.420269 30.63539 
1 1 1   -1   36    1 o   68.877   28.432   10.115   8.2265   4.3667   11.418   16.319   11.862   61.036   28.621   76.549   32.979 -15.51367 43.66620 
1 1 1   -1   36    2 o   66.852   28.496   9.2457   8.6861  -9.9284   12.898   25.157   11.750   51.552   25.558   93.024   35.336 -41.47184 43.60947 
1 1 1   -1   36    3 o   58.334   27.333   2.8779   10.381 -17.6500   18.814   11.863   12.448   55.069   27.798   69.660   31.649 -14.59075 42.12333 
1 1 1   -1   36    4 o   73.875   30.631   13.411   9.6095   9.1010   17.263   15.345   11.567   66.792   32.351   74.876   32.411 -8.083542 45.79330 
1 1 1   -1   36    5 o   47.865   23.073  -3.9691   8.5286 -10.8669   13.822   0.2716   10.838   52.016   25.899   55.856   26.683 -3.839897 37.18472 
1 1 1   -1   36    6 o   64.798   28.547   8.5483   9.3196   5.4593   13.898   11.072   12.563   62.636   30.001   67.871   31.196 -5.234703 43.28073 
1 1 1   -1   36    7 o   54.307   24.977   2.4407   8.0700 -11.9972   10.963   19.514   11.922   46.437   23.112   79.823   33.676 -33.38625 40.84381 
1 1 1   -1   36    8 o   49.196   23.271  -0.9853   7.8469   14.552   11.403 -14.9615   10.815   72.188   31.696   44.283   22.179 27.90455 38.68478 
1 1 1   -1   36    9 o   72.416   29.871   13.288   9.0714   15.265   12.826   11.309   12.831   71.163   32.252   66.631   30.944 4.531487 44.69569 
1 1 1   -1   36   10 o   72.635   29.078   13.038   8.3008   9.7448   11.364   16.804   12.154   64.555   29.671   73.171   32.399 -8.616074 43.93251 
1 1 1   -1   36   11 o   67.496   28.762   11.268   8.8441   23.642   12.404  -1.5284   12.614   82.118   34.481   54.341   26.612 27.77705 43.55568 
1 1 1   -1   36   12 o   50.654   23.820   0.9851   8.0057   13.251   11.679  -9.8862   10.995   67.220   30.585   46.407   23.105 20.81298 38.33115 
1 1 1   -1   36   13 o   53.732   24.439   4.0090   7.4479   4.8316   11.090   3.3332   10.052   57.155   27.217   55.033   26.121 2.121845 37.72363 
1 1 1   -1   36   14 o   47.823   22.887  -0.7158   8.0525   9.6029   11.202 -11.7502   11.584   61.251   28.601   45.445   22.788 15.80694 36.56912 
1 1 1   -1   36   15 o   64.037   28.025   11.297   8.8505  -8.2777   12.472   31.157   12.562   47.841   23.940   87.842   35.557 -40.00133 42.86519 
1 1 1   -1   36   16 o   46.670   22.633  -1.4641   8.5167  -6.5099   12.513   2.8910   11.625   48.111   24.061   53.257   25.965 -5.145821 35.39927 
1 1 1   -1   36   17 o   50.454   23.914   2.9900   8.3662  -5.2213   11.482   12.285   12.216   47.025   23.444   60.031   28.580 -13.00573 36.96581 
1 1 1   -1   36   18 o   49.847   24.487   1.1532   10.941 -20.3500   21.185   8.9739   12.776   48.385   24.845   55.915   27.252 -7.529377 36.87768 
1 1 1   -1   36   19 o   56.219   28.407   15.420   19.939   0.0000   0.0000   15.420   19.939  ?   ?    56.219   28.407 0.000000 28.40668 
1 1 1   -1   36   20 o   40.187   20.653 -32.4600   15.367 -32.4600   15.367   0.0000   0.0000   40.187   20.653  ?   ?  0.000000 20.65297 
1 1 1   -1   36   21 o   42.611   21.549  -9.1665   11.618 -14.8400   16.085  -2.9780   16.800   44.386   22.710   48.071   24.473 -3.684643 33.38679 
1 1 1   -1   36   22 o   40.004   20.051  -6.7601   8.9175 -16.2342   12.414   3.3424   12.819   40.265   20.548   48.503   24.271 -8.237591 31.80075 
1 1 1   -1   36   23 o   51.610   25.249   9.8602   11.270   22.190   22.024   5.4864   13.117   52.444   26.812   48.690   24.392 3.753830 36.24713 
1 1 1   -1   36   24 o   38.500   19.379  -7.2616   8.7890   1.1920   21.156  -9.0249   9.6623   47.044   24.177   38.759   19.607 8.285160 31.12779 
1 1 1   -1   36   25 o   35.119   17.730  -9.1933   7.6690 -32.2800   21.130  -5.6907   8.2303   40.996   21.195   38.003   19.078 2.992931 28.51608 
1 1 1   -1   36   26 o   48.446   23.387   8.9833   8.8368 -14.0500   19.989   14.578   9.8519   42.013   21.679   52.663   25.233 -10.65020 33.26685 
1 1 1   -1   36   27 o   42.027   20.883   2.7308   8.8055   25.730   17.733  -4.7962   10.145   48.606   24.782   38.724   19.644 9.881889 31.62299 
1 1 1   -1   37    1 o   52.942   24.858   2.3700   8.6627   13.864   12.580  -7.9953   11.946   66.728   30.865   48.702   24.220 18.02588 39.23392 
1 1 1   -1   37    2 o   68.907   28.803   12.485   8.5955   4.8019   12.347   19.710   11.974   57.926   27.883   74.942   32.702 -17.01596 42.97557 
1 1 1   -1   37    3 o   67.524   28.786   12.068   8.8656   1.4203   13.082   21.112   12.056   55.629   27.213   76.639   33.132 -21.00908 42.87455 
1 1 1   -1   37    4 o   66.235   29.387   12.262   10.049  -6.1320   19.939   18.525   11.635   55.717   28.183   73.312   32.107 -17.59574 42.72154 
1 1 1   -1   37    5 o   59.642   27.560   7.6779   9.9915  -8.1190   19.199   13.545   11.701   54.434   27.548   66.128   30.288 -11.69426 40.94233 
1 1 1   -1   37    6 o   56.509   25.509   5.8906   7.9330   0.9934   12.500   9.1933   10.265   54.246   26.550   61.180   28.149 -6.933681 38.69447 
1 1 1   -1   37    7 o   51.534   24.012   2.7296   7.8286  -3.7583   10.699   10.207   11.486   48.853   24.041   61.567   28.817 -12.71378 37.52868 
1 1 1   -1   37    8 o   63.491   27.720   10.678   8.6133   25.287   12.523  -2.4359   11.865   78.699   33.895   50.724   25.030 27.97500 42.13519 
1 1 1   -1   37    9 o   66.443   28.609   12.908   8.9172   7.5074   12.535   18.443   12.688   57.830   27.901   68.304   31.379 -10.47448 41.98948 
1 1 1   -1   37   10 o   55.374   25.210   6.1944   7.9489  -8.4628   11.101   21.615   11.387   45.460   22.724   74.383   32.177 -28.92275 39.39249 
1 1 1   -1   37   11 o   76.010   28.877   16.615   7.8479   21.141   11.408   12.548   10.813   72.395   31.747   61.914   28.631 10.48100 42.75006 
1 1 1   -1   37   12 o   76.366   30.116   18.940   8.7772   11.348   12.501   26.321   12.327   58.674   28.196   75.740   33.112 -17.06533 43.49020 
1 1 1   -1   37   13 f   40.628   20.234  -7.5578   8.4587 -14.4921   12.454  -1.6205   11.524   43.112   21.859   48.378   24.014 -5.265957 32.47243 
1 1 1   -1   37   14 f   48.447   22.927   2.9463   7.6324  -1.2701   10.482   7.7042   11.135   47.121   23.303   54.170   26.175 -7.048664 35.04551 
1 1 1   -1   37   15 o   43.314   21.713  -6.6408   10.474   17.710   20.816 -14.8953   12.120   55.732   28.257   41.606   21.143 14.12606 35.29127 
1 1 1   -1   37   16 o   54.644   26.842   11.694   13.140   0.0000   0.0000   11.694   13.140  ?   ?    54.644   26.842 0.000000 26.84164 
1 1 1   -1   37   17 o   47.016   23.980  -4.9610   16.724  -4.9610   16.724   0.0000   0.0000   47.016   23.980  ?   ?  0.000000 23.97996 
1 1 1   -1   37   18 o   43.488   21.894  -4.5078   11.246  -0.0011   14.471 -11.3800   17.870   47.098   23.844   45.126   23.149 1.972084 33.23287 
1 1 1   -1   37   19 o   42.299   20.978  -1.6839   8.7218  -8.1690   11.664   6.5399   13.135   41.671   21.131   48.901   24.484 -7.229416 32.34176 
1 1 1   -1   37   20 o   39.816   19.973  -5.1765   8.9386 -13.5857   12.415   3.8752   12.880   39.902   20.378   46.823   23.554 -6.920891 31.14576 
1 1 1   -1   37   21 o   50.095   24.101   9.2488   9.1985  -4.1282   13.056   22.435   12.962   42.925   21.826   56.384   27.474 -13.45939 35.08864 
1 1 1   -1   37   22 o   51.493   24.544   11.575   9.0651  -2.5034   13.608   22.806   12.155   42.930   21.872   56.589   27.345 -13.65944 35.01624 
1 1 1   -1   37   23 o   53.036   25.837   18.802   11.445   2.1640   22.111   24.891   13.376   44.230   22.822   54.076   26.664 -9.846077 35.09710 
1 1 1   -1   37   24 o   78.606   30.575   30.559   8.9433   19.430   22.658   32.613   9.7336   45.358   23.392   75.394   31.002 -30.03619 38.83691 
1 1 1   -1   37   25 o   49.085   23.232   11.661   7.8426   18.570   21.970   10.652   8.3958   43.833   22.622   47.131   22.763 -3.298294 32.09251 
1 1 1   -1   37   26 o   32.784   16.877 -20.4923   10.953 -42.6600   20.908 -12.1072   12.859   35.762   18.571   36.164   18.600 -0.4028549 26.28401 
1 1 1   -1   38    1 o   56.124   25.773   7.9060   8.5485   1.2321   12.059   14.647   12.120   50.797   25.097   61.387   29.002 -10.59016 38.35332 
1 1 1   -1   38    2 o   53.407   25.083   5.9007   8.8282  -0.4202   12.199   12.850   12.792   49.786   24.712   59.115   28.436 -9.329021 37.67347 
1 1 1   -1   38    3 o   71.835   28.876   16.417   8.2227   16.635   11.134   16.155   12.196   64.506   29.545   62.427   29.370 2.079479 41.65998 
1 1 1   -1   38    4 o   54.604   24.846   7.0037   7.7080  -0.5260   11.262   13.640   10.572   48.756   24.119   61.343   28.347 -12.58665 37.21948 
1 1 1   -1   38    5 o   56.827   26.758   9.7295   10.162 -15.4800   18.393   20.806   12.192   47.530   24.316   66.642   30.668 -19.11171 39.13842 
1 1 1   -1   38    6 o   56.025   26.614   9.4919   10.478 -13.9900   18.815   20.048   12.615   47.822   24.475   64.407   30.164 -16.58487 38.84412 
1 1 1   -1   38    7 o   66.473   29.327   17.494   9.8709   50.330   19.733   6.5366   11.400   72.024   34.813   52.812   25.740 19.21167 43.29534 
1 1 1   -1   38    8 o   48.418   23.176   3.0976   8.2651 -12.2778   11.739   18.211   11.639   42.154   21.357   62.776   29.259 -20.62125 36.22397 
1 1 1   -1   38    9 o   51.148   24.038   5.8707   8.1307  -4.1833   11.603   15.571   11.397   45.365   22.757   59.601   28.148 -14.23614 36.19608 
1 1 1   -1   38   10 o   61.138   27.084   13.463   8.5038   9.3031   12.039   17.606   12.014   53.100   26.003   59.906   28.470 -6.806030 38.55722 
1 1 1   -1   38   11 o   34.884   17.644 -12.7093   7.8058 -24.1906   11.159  -1.7104   10.922   36.352   18.623   45.290   22.624 -8.938690 29.30322 
1 1 1   -1   38   12 o   57.695   27.922   18.410   12.795   0.0000   0.0000   18.410   12.795  ?   ?    57.695   27.922 0.000000 27.92192 
1 1 1   -1   38   13 o   55.371   28.148   32.870   21.628   0.0000   0.0000   32.870   21.628  ?   ?    55.371   28.148 0.000000 28.14842 
1 1 1   -1   38   14 o   43.953   22.493  -8.6500   15.862  -8.6500   15.862   0.0000   0.0000   43.953   22.493  ?   ?  0.000000 22.49348 
1 1 1   -1   38   15 o   42.430   21.391  -3.4770   10.944  -3.4770   10.944   0.0000   0.0000   42.430   21.391  ?   ?  0.000000 21.39057 
1 1 1   -1   38   16 o   50.901   24.252   9.8005   8.8315   13.853   12.546   5.8199   12.434   51.139   25.326   46.832   23.501 4.306919 34.55051 
1 1 1   -1   38   17 o   49.607   24.188   10.328   10.093   15.410   16.785   7.4504   12.632   48.899   24.852   46.905   23.559 1.993195 34.24387 
1 1 1   -1   38   18 o   41.119   20.602  -1.0269   9.3733 -12.6100   16.263   4.7352   11.470   41.022   21.089   44.920   22.546 -3.898476 30.87179 
1 1 1   -1   38   19 o   43.316   21.437   3.6398   8.9297 -13.7052   12.959   19.324   12.322   38.345   19.673   51.817   25.558 -13.47240 32.25272 
1 1 1   -1   38   20 o   43.634   21.543   5.1560   8.8292   10.854   12.260  -0.9839   12.726   46.044   23.138   41.316   21.059 4.728329 31.28602 
1 1 1   -1   38   21 o   40.431   20.173   1.8140   8.5754   7.0254   11.273  -5.3447   13.212   43.459   21.884   39.366   20.174 4.093216 29.76431 
1 1 1   -1   38   22 o   44.261   21.833   8.8337   9.0011   15.145   12.272   1.4862   13.242   45.603   22.947   40.374   20.653 5.228832 30.87269 
1 1 1   -1   38   23 f   39.837   19.852   3.8945   8.1955   4.5609   11.065   3.0849   12.197   40.174   20.393   39.671   20.255 0.5032616 28.74282 
1 1 1   -1   38   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   39    1 o   53.203   25.515   10.988   10.123   11.300   17.235   10.823   12.509   50.613   25.667   51.672   25.535 -1.058372 36.20590 
1 1 1   -1   39    2 o   58.161   26.782   14.535   9.3185  -0.5817   14.964   24.110   11.910   46.433   23.585   63.238   29.516 -16.80552 37.78151 
1 1 1   -1   39    3 f   63.721   28.506   19.285   9.6588   19.030   16.711   19.413   11.836   53.309   26.819   58.500   27.929 -5.190624 38.72044 
1 1 1   -1   39    4 o   53.363   25.575   11.704   10.133   10.060   17.378   12.551   12.474   49.694   25.260   52.259   25.764 -2.564335 36.08070 
1 1 1   -1   39    5 f   50.815   24.681   9.2603   10.233   6.8620   18.078   10.391   12.414   48.449   24.730   50.658   25.107 -2.208973 35.24133 
1 1 1   -1   39    6 f   33.367   17.075 -20.3818   9.1330 -28.9600   17.116 -16.9671   10.799   40.092   20.660   37.065   18.935 3.026497 28.02475 
1 1 1   -1   39    7 o   51.946   25.497   13.040   11.786   0.0000   0.0000   13.040   11.786  ?   ?    51.946   25.497 0.000000 25.49734 
1 1 1   -1   39    8 o   46.229   23.677   2.3850   17.931   0.0000   0.0000   2.3850   17.931  ?   ?    46.229   23.677 0.000000 23.67749 
1 1 1   -1   39    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   39   10 o   47.716   23.945   9.1916   12.906   9.1916   12.906   0.0000   0.0000   47.716   23.945  ?   ?  0.000000 23.94481 
1 1 1   -1   39   11 o   32.504   16.705 -25.9738   10.113 -25.9738   10.113   0.0000   0.0000   32.504   16.705  ?   ?  0.000000 16.70514 
1 1 1   -1   39   12 o   46.754   22.758   7.3233   8.8294   14.162   12.617   0.7608   12.360   49.217   24.543   43.074   21.832 6.143822 32.84848 
1 1 1   -1   39   13 o   43.233   21.304   3.6120   8.4959   5.2171   12.470   2.2216   11.606   44.425   22.449   43.051   21.744 1.373638 31.25326 
1 1 1   -1   39   14 o   35.351   17.871  -7.3752   7.9464   0.6923   12.041 -13.6002   10.577   42.044   21.335   35.992   18.415 6.051540 28.18384 
1 1 1   -1   39   15 f   34.993   17.658  -6.4614   7.5584  -4.6782   11.204  -7.9509   10.240   39.197   19.958   37.288   18.996 1.908768 27.55299 
1 1 1   -1   39   16 f   30.054   15.435 -20.2751   8.2233 -10.6200   12.661 -27.3209   10.815   37.761   19.379   32.003   16.489 5.758526 25.44422 
1 1 1   -1   39   17 o   34.394   17.552 -10.3492   9.0627  -8.3280   15.253 -11.4521   11.267   38.910   20.025   36.093   18.506 2.817589 27.26630 
1 1 1   -1   39   18 o   37.186   18.747  -1.6972   8.4060  -1.2219   12.226  -2.1233   11.576   39.046   19.964   38.560   19.691 0.4864960 28.04078 
1 1 1   -1   39   19 o   31.096   15.936 -14.2262   8.2443 -27.0565   13.168  -5.9552   10.573   33.153   17.126   36.155   18.492 -3.001789 25.20365 
1 1 1   -1   39   20 o   36.577   18.413   0.1385   7.9468 -14.1024   12.005   11.247   10.603   34.206   17.612   42.181   21.238 -7.975052 27.59060 
1 1 1   -1   39   21 o   34.451   17.538  -3.4020   8.6134  -6.9157   12.013   0.3152   12.356   35.090   18.044   36.965   18.981 -1.875187 26.18859 
1 1 1   -1   40    1 o   48.899   24.500   17.050   13.258   39.290   18.969  -4.1890   18.537   51.881   26.373   42.204   21.737 9.677338 34.17629 
1 1 1   -1   40    2 o   50.151   24.875   17.834   12.277   21.050   18.240   15.170   16.600   47.353   24.224   46.405   23.688 0.9470787 33.88139 
1 1 1   -1   40    3 o   35.078   17.922 -13.1306   9.6948 -18.3263   11.694  -1.7120   17.336   35.665   18.320   42.296   21.745 -6.630318 28.43384 
1 1 1   -1   40    4 o   39.156   19.836  -3.6056   10.112  -0.6042   12.053 -10.7400   18.582   41.293   20.994   40.837   21.066 0.4557266 29.74067 
1 1 1   -1   40    5 f   32.027   16.460 -23.1263   9.8264 -30.5745   11.821  -6.4670   17.678   32.836   16.932   41.163   21.202 -8.327042 27.13342 
1 1 1   -1   40    6 o   42.703   21.291   4.3083   9.4780   7.6424   11.661  -2.1810   16.269   44.296   22.299   41.482   21.320 2.813366 30.85153 
1 1 1   -1   40    7 o   36.555   18.486  -5.3574   8.5473  -1.9766   12.589  -8.2482   11.641   40.404   20.625   37.960   19.414 2.444317 28.32465 
1 1 1   -1   40    8 o   38.662   19.649  -3.6288   10.491   6.4070   19.216  -7.8898   12.521   42.758   22.028   38.375   19.664 4.383770 29.52817 
1 1 1   -1   40    9 o   38.475   19.509  -2.7151   9.9369   10.320   17.682  -8.7327   12.014   43.222   22.214   37.606   19.270 5.616386 29.40726 
1 1 1   -1   40   10 o   38.534   19.288  -0.0088   8.1238   20.440   11.835 -18.2264   11.171   49.442   24.506   34.162   17.557 15.28041 30.14640 
1 1 1   -1   40   11 o   38.829   19.261   1.4525   7.3678  -8.6735   10.332   11.928   10.509   35.927   18.367   45.219   22.526 -9.292419 29.06464 
1 1 1   -1   40   12 o   36.985   18.654  -1.8642   8.3723  -0.1933   11.997  -3.4506   11.690   39.206   20.023   38.076   19.472 1.129742 27.92980 
1 1 1   -1   40   13 o   40.206   20.133   4.2493   8.8917   0.4771   12.809   7.7580   12.353   39.096   20.023   41.397   21.067 -2.300648 29.06436 
1 1 1   -1   40   14 o   38.892   19.589   2.8487   9.0615   8.2799   13.468  -1.6431   12.248   40.745   20.842   37.860   19.404 2.885277 28.47626 
1 1 1   -1   40   15 o   44.660   22.097   13.813   9.4657   18.080   16.788   11.824   11.461   41.509   21.344   41.883   21.206 -0.3738670 30.08777 
1 1 1   -1   40   16 o   35.223   17.889  -2.0300   8.5861 -15.2800   12.739   8.9983   11.622   33.868   17.470   39.905   20.320 -6.036594 26.79709 
1 1 1   -1   40   17 o   32.193   16.449  -7.2888   8.1808 -10.2078   10.998  -3.6729   12.240   33.411   17.184   35.503   18.254 -2.092251 25.07010 
1 1 1   -1   40   18 o   34.918   17.766   0.0747   8.7497   3.6223   12.233  -3.6417   12.520   36.505   18.751   34.855   17.948 1.650230 25.95610 
1 1 1   -1   40   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   41    1 o   39.494   19.736   3.9147   8.3431   20.081   12.151 -10.5060   11.476   45.932   23.075   35.154   18.062 10.77783 29.30333 
1 1 1   -1   41    2 o   36.242   18.377  -2.2805   8.8179  -9.7271   12.618   4.8270   12.328   35.936   18.479   39.787   20.318 -3.850986 27.46472 
1 1 1   -1   41    3 o   36.541   18.538  -1.7493   9.0457   1.7859   12.917  -5.1510   12.671   38.822   19.899   36.968   18.993 1.854008 27.50792 
1 1 1   -1   41    4 o   39.708   19.945   4.7826   9.0626   6.9111   12.726   2.5922   12.909   40.172   20.525   38.910   19.940 1.262188 28.61639 
1 1 1   -1   41    5 o   40.004   19.941   5.3612   8.2932   3.3961   11.117   7.8275   12.454   38.896   19.812   40.318   20.575 -1.422333 28.56339 
1 1 1   -1   41    6 o   38.794   19.318   3.8113   7.7011  -2.7455   11.749   8.7498   10.197   36.851   18.894   41.084   20.704 -4.233097 28.02930 
1 1 1   -1   41    7 o   46.967   22.727   15.006   8.4689   17.590   12.303   12.679   11.676   43.350   21.951   41.800   21.190 1.549664 30.51048 
1 1 1   -1   41    8 o   32.722   16.744  -8.8892   8.7666 -33.4630   12.546   14.557   12.255   30.750   15.926   41.803   21.245 -11.05350 26.55162 
1 1 1   -1   41    9 o   37.246   19.012   1.8927   10.694   7.1650   19.483  -0.3810   12.794   38.364   19.870   36.890   18.961 1.474411 27.46502 
1 1 1   -1   41   10 f   39.314   19.968   8.5340   10.716   20.010   20.370   4.1428   12.600   39.342   20.374   37.624   19.310 1.718334 28.07068 
1 1 1   -1   41   11 o   35.108   17.806  -0.1374   8.3046   4.1892   11.880  -4.2719   11.613   37.187   19.062   34.907   17.939 2.279922 26.17605 
1 1 1   -1   41   12 o   35.708   18.153   1.7462   9.0023  -5.4379   12.541   9.3835   12.930   34.505   17.777   37.924   19.470 -3.419796 26.36464 
1 1 1   -1   41   13 o   33.854   17.313  -1.9765   9.2480  -2.2286   13.438  -1.7497   12.747   34.835   17.967   34.817   17.937 0.1734543E-01 25.38814 
1 1 1   -1   41   14 o   42.237   21.270   21.466   10.658   26.420   18.592   19.042   13.007   37.934   19.639   38.999   19.988 -1.065632 28.02164 
1 1 1   -1   41   15 o   33.444   17.165  -0.4444   9.9553   18.420   17.154 -10.0241   12.224   36.459   18.875   31.999   16.529 4.459906 25.08936 
1 1 1   -1   42    1 o   35.492   18.044   3.3404   8.8976  -0.2556   12.391   7.1680   12.784   34.715   17.875   36.373   18.699 -1.658157 25.86794 
1 1 1   -1   42    2 o   37.330   18.853   7.3359   8.7212   14.621   12.110  -0.5145   12.570   38.462   19.681   34.621   17.835 3.840614 26.55972 
1 1 1   -1   42    3 o   34.960   17.739   2.5618   8.3113   0.2928   11.517   5.0276   12.006   34.570   17.771   35.749   18.375 -1.179237 25.56216 
1 1 1   -1   42    4 o   31.262   16.005  -5.9245   8.1063   1.9070   10.976 -15.3205   12.023   34.787   17.864   31.433   16.241 3.354191 24.14319 
1 1 1   -1   42    5 o   40.834   20.367   14.390   8.7056   2.8919   12.370   25.672   12.254   34.904   17.966   41.335   21.030 -6.430695 27.65953 
1 1 1   -1   42    6 o   35.770   18.178   5.7398   8.9622   0.9291   12.920   10.201   12.442   34.297   17.686   36.331   18.673 -2.034458 25.71964 
1 1 1   -1   42    7 o   31.608   16.228  -5.0555   9.0030 -11.6321   12.828   1.3276   12.638   31.844   16.473   34.082   17.572 -2.237572 24.08585 
1 1 1   -1   42    8 o   37.749   19.106   12.025   9.2496   1.9202   13.162   21.885   13.002   33.896   17.495   38.220   19.616 -4.323975 26.28375 
1 1 1   -1   42    9 o   28.315   14.602 -15.1817   8.8232 -13.4392   12.604 -16.8562   12.355   30.923   16.014   30.312   15.703 0.6111088 22.42857 
1 1 1   -1   42   10 o   31.047   15.926  -3.1887   8.4540   1.3524   12.323  -7.2265   11.620   32.972   17.014   31.264   16.148 1.708199 23.45697 
1 1 1   -1   42   11 o   30.830   15.872  -4.4148   9.7218   5.5560   19.687  -7.6303   11.180   33.004   17.155   30.657   15.834 2.346998 23.34528 
1 1 1   -1   43    1 o   32.385   16.603   6.0481   9.0482   16.658   12.740  -4.7518   12.853   33.726   17.399   30.298   15.705 3.428686 23.43888 
1 1 1   -1   43    2 o   28.407   14.639  -7.5387   8.5937 -15.2418   11.672   1.5804   12.700   28.481   14.769   31.123   16.117 -2.641846 21.86015 
1 1 1   -1   43    3 o   27.750   14.315  -9.9340   8.5821  -6.0913   11.945 -14.0342   12.339   29.783   15.429   28.803   14.942 0.9795723 21.47844 
1 1 1   -1   43    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    2 o  3090.54   40.982 12434.28  327.946 12434.28  327.946 12434.28  327.946  3090.54   40.982  3090.54   40.982 0.000000 0.000000 
1 1 1    0    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    4 o  2446.75   32.942  7781.44  208.693  7781.44  208.693  7781.44  208.693  2446.75   32.942  2446.75   32.942 0.000000 0.000000 
1 1 1    0    0    5 o   60.615   16.013   5.6507   2.1722   5.6507   2.1722   5.6507   2.1722   60.615   16.013   60.615   16.013 0.000000 0.000000 
1 1 1    0    0    6 o  339.268   10.890  149.587   9.5479  149.587   9.5479  149.587   9.5479  339.268   10.890  339.268   10.890 0.000000 0.000000 
1 1 1    0    0    7 o  1608.33   22.846  3357.50   95.135  3357.50   95.135  3357.50   95.135  1608.33   22.846  1608.33   22.846 0.000000 0.000000 
1 1 1    0    0    8 o  362.608   11.308  170.856   10.598  170.856   10.598  170.856   10.598  362.608   11.308  362.608   11.308 0.000000 0.000000 
1 1 1    0    0    9 o  1382.54   20.318  2480.47   72.728  2480.47   72.728  2480.47   72.728  1382.54   20.318  1382.54   20.318 0.000000 0.000000 
1 1 1    0    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   11 f  1581.81   22.635  3248.50   92.699  3248.50   92.699  3248.50   92.699  1581.81   22.635  1581.81   22.635 0.000000 0.000000 
1 1 1    0    0   12 o  243.753   11.953   77.548   7.5054   77.548   7.5054   77.548   7.5054  243.753   11.953  243.753   11.953 0.000000 0.000000 
1 1 1    0    0   13 o  567.002   12.704  417.300   18.637  417.300   18.637  417.300   18.637  567.002   12.704  567.002   12.704 0.000000 0.000000 
1 1 1    0    0   14 o   44.736   25.192   3.4474   4.4427   3.4474   4.4427   3.4474   4.4427   44.736   25.192   44.736   25.192 0.000000 0.000000 
1 1 1    0    0   15 o  335.492   12.335  146.514   10.687  146.514   10.687  146.514   10.687  335.492   12.335  335.492   12.335 0.000000 0.000000 
1 1 1    0    0   16 o  311.732   12.341  126.633   9.9294  126.633   9.9294  126.633   9.9294  311.732   12.341  311.732   12.341 0.000000 0.000000 
1 1 1    0    0   17 o  682.315   13.740  605.263   24.262  605.263   24.262  605.263   24.262  682.315   13.740  682.315   13.740 0.000000 0.000000 
1 1 1    0    0   18 o  347.000   12.824  156.973   11.491  156.973   11.491  156.973   11.491  347.000   12.824  347.000   12.824 0.000000 0.000000 
1 1 1    0    0   19 o  795.466   14.876  822.640   30.627  822.640   30.627  822.640   30.627  795.466   14.876  795.466   14.876 0.000000 0.000000 
1 1 1    0    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   21 o  837.684   15.226  911.089   33.014  911.089   33.014  911.089   33.014  837.684   15.226  837.684   15.226 0.000000 0.000000 
1 1 1    0    0   22 o  508.023   13.541  335.310   17.791  335.310   17.791  335.310   17.791  508.023   13.541  508.023   13.541 0.000000 0.000000 
1 1 1    0    0   23 o  364.338   14.733  172.959   13.853  172.959   13.853  172.959   13.853  364.338   14.733  364.338   14.733 0.000000 0.000000 
1 1 1    0    0   24 o  1366.24   20.831  2425.00   73.683  2425.00   73.683  2425.00   73.683  1366.24   20.831  1366.24   20.831 0.000000 0.000000 
1 1 1    0    0   25 o  222.633   19.491   65.803   11.042   65.803   11.042   65.803   11.042  222.633   19.491  222.633   19.491 0.000000 0.000000 
1 1 1    0    0   26 o  360.808   15.366  169.799   14.302  169.799   14.302  169.799   14.302  360.808   15.366  360.808   15.366 0.000000 0.000000 
1 1 1    0    0   27 o  314.700   15.668  129.471   12.700  129.471   12.700  129.471   12.700  314.700   15.668  314.700   15.668 0.000000 0.000000 
1 1 1    0    0   28 o  488.779   14.327  310.815   18.104  310.815   18.104  310.815   18.104  488.779   14.327  488.779   14.327 0.000000 0.000000 
1 1 1    0    0   29 f  247.255   27.431   82.690   17.016   82.690   17.016   82.690   17.016  247.255   27.431  247.255   27.431 0.000000 0.000000 
1 1 1    0    0   30 o  107.208   50.895   22.500   16.086   22.500   16.086   22.500   16.086  107.208   50.895  107.208   50.895 0.000000 0.000000 
1 1 1    0    0   31 o   52.603   31.856   3.5173   8.0126   3.5173   8.0126   3.5173   8.0126   52.603   31.856   52.603   31.856 0.000000 0.000000 
1 1 1    0    0   32 o   55.119   33.655   3.6526   9.1060   3.6526   9.1060   3.6526   9.1060   55.119   33.655   55.119   33.655 0.000000 0.000000 
1 1 1    0    0   33 o  148.726   32.627   33.084   11.003   33.084   11.003   33.084   11.003  148.726   32.627  148.726   32.627 0.000000 0.000000 
1 1 1    0    0   34 o   47.897   30.933   0.2585   8.9555   0.2585   8.9555   0.2585   8.9555   47.897   30.933   47.897   30.933 0.000000 0.000000 
1 1 1    0    0   35 o  165.021   26.415   38.741   10.424   38.741   10.424   38.741   10.424  165.021   26.415  165.021   26.415 0.000000 0.000000 
1 1 1    0    0   36 o   90.300   39.894   16.097   9.8133   16.097   9.8133   16.097   9.8133   90.300   39.894   90.300   39.894 0.000000 0.000000 
1 1 1    0    0   37 o   57.831   35.253   4.8193   9.9537   4.8193   9.9537   4.8193   9.9537   57.831   35.253   57.831   35.253 0.000000 0.000000 
1 1 1    0    0   38 o   69.517   39.849   9.6020   11.383   9.6020   11.383   9.6020   11.383   69.517   39.849   69.517   39.849 0.000000 0.000000 
1 1 1    0    0   39 o   44.505   30.795  -7.7310   12.134  -7.7310   12.134  -7.7310   12.134   44.505   30.795   44.505   30.795 0.000000 0.000000 
1 1 1    0    0   40 o  185.179   25.917   49.561   11.734   49.561   11.734   49.561   11.734  185.179   25.917  185.179   25.917 0.000000 0.000000 
1 1 1    0    0   41 o  247.893   20.595   84.986   13.015   84.986   13.015   84.986   13.015  247.893   20.595  247.893   20.595 0.000000 0.000000 
1 1 1    0    0   42 o   68.804   37.622   10.870   9.5708   10.870   9.5708   10.870   9.5708   68.804   37.622   68.804   37.622 0.000000 0.000000 
1 1 1    0    0   43 o  103.754   49.001   26.860   14.892   26.860   14.892   26.860   14.892  103.754   49.001  103.754   49.001 0.000000 0.000000 
1 1 1    0    0   44 o   60.251   39.351   5.7230   15.069   5.7230   15.069   5.7230   15.069   60.251   39.351   60.251   39.351 0.000000 0.000000 
1 1 1    0    0   45 o   57.293   35.498   7.2367   10.481   7.2367   10.481   7.2367   10.481   57.293   35.498   57.293   35.498 0.000000 0.000000 
1 1 1    0    0   46 o   43.847   30.038  -1.7963   10.881  -1.7963   10.881  -1.7963   10.881   43.847   30.038   43.847   30.038 0.000000 0.000000 
1 1 1    0    0   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   48 o  123.153   45.750   37.639   13.564   37.639   13.564   37.639   13.564  123.153   45.750  123.153   45.750 0.000000 0.000000 
1 1 1    0    0   49 o   34.285   24.680 -10.9667   10.824 -10.9667   10.824 -10.9667   10.824   34.285   24.680   34.285   24.680 0.000000 0.000000 
1 1 1    0    0   50 o   44.482   30.679   2.2829   11.801   2.2829   11.801   2.2829   11.801   44.482   30.679   44.482   30.679 0.000000 0.000000 
1 1 1    0    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    4 o  352.623   7.6090  161.095   6.9501  160.559   9.8260  161.632   9.8318  351.978   10.777  353.153   10.748 -1.174713 15.22056 
1 1 1    0    1    5 o  335.592   7.6325  145.911   6.6348  139.045   9.2829  153.081   9.4865  327.544   10.941  343.684   10.656 -16.14047 15.27289 
1 1 1    0    1    6 o  184.004   7.6885   43.865   3.6645   43.594   5.2454   44.124   5.1217  183.062   11.115  184.200   10.781 -1.138428 15.48441 
1 1 1    0    1    7 o  479.327   8.2733  297.688   10.272  298.270   14.529  297.105   14.525  479.698   11.693  478.760   11.712 0.9384460 16.54995 
1 1 1    0    1    8 o  693.492   9.4277  623.217   16.935  628.580   24.061  617.951   23.841  696.281   13.341  690.369   13.332 5.911682 18.86043 
1 1 1    0    1    9 o  244.009   8.1516   77.146   5.1523   78.240   7.3320   76.079   7.2416  245.682   11.521  242.264   11.540 3.417175 16.30659 
1 1 1    0    1   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   11 o  739.810   9.8345  709.331   18.846  720.729   26.940  698.407   26.374  745.480   13.951  733.850   13.875 11.63007 19.67583 
1 1 1    0    1   12 o  526.438   8.7613  359.138   11.947  374.798   17.285  344.815   16.532  537.638   12.412  515.686   12.376 21.95172 17.52772 
1 1 1    0    1   13 o  393.720   8.4259  200.887   8.5932  203.440   12.289  198.445   12.021  396.094   11.978  391.206   11.862 4.888062 16.85756 
1 1 1    0    1   14 o  158.804   10.361   32.836   4.2387   28.026   5.8880   38.010   6.1069  146.073   15.814  170.582   13.943 -24.50879 21.08267 
1 1 1    0    1   15 o  221.845   9.0904   63.808   5.2237   62.737   7.3299   64.913   7.4464  219.476   12.951  223.268   12.931 -3.791214 18.30109 
1 1 1    0    1   16 o  245.305   9.1611   78.053   5.8211   77.758   8.1549   78.360   8.3119  244.317   12.932  245.242   13.132 -0.9249725 18.43048 
1 1 1    0    1   17 o  850.012   10.680  938.481   23.514  950.606   33.572  926.804   32.945  854.232   15.172  843.500   15.078 10.73230 21.39056 
1 1 1    0    1   18 o  416.629   8.9307  225.301   9.6380  225.801   13.595  224.797   13.665  416.643   12.597  415.702   12.691 0.9412231 17.88138 
1 1 1    0    1   19 o  654.878   9.7194  556.594   16.487  559.433   23.429  553.808   23.206  655.861   13.791  652.568   13.729 3.293152 19.45914 
1 1 1    0    1   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   21 o  1241.54   13.538  2000.45   43.537  2038.09   62.701  1965.41   60.500  1251.84   19.336  1229.41   18.998 22.43604 27.10760 
1 1 1    0    1   22 o  777.205   14.900  783.961   29.997   0.0000   0.0000  783.961   29.997  ?   ?   777.205   14.900 0.000000 14.90026 
1 1 1    0    1   23 o  1120.38   12.859  1628.14   37.319  1658.38   53.703  1599.90   51.897  1129.88   18.349  1109.83   18.052 20.04675 25.74064 
1 1 1    0    1   24 o  1017.02   12.306  1341.46   32.420  1356.69   46.342  1326.86   45.370  1022.06   17.505  1010.79   17.328 11.26917 24.63087 
1 1 1    0    1   25 o  752.207   10.744  733.666   20.934  747.369   29.888  720.468   29.331  758.759   15.207  744.980   15.200 13.77966 21.50060 
1 1 1    0    1   26 o  947.552   11.718  1164.66   28.762  1192.39   41.382  1138.75   40.004  958.003   16.676  936.240   16.496 21.76349 23.45618 
1 1 1    0    1   27 o  748.531   10.792  726.758   20.925  741.379   30.070  713.030   29.138  755.443   15.367  740.885   15.183 14.55756 21.60236 
1 1 1    0    1   28 o  209.919   14.955   57.548   8.0788   55.242   11.656   59.680   11.207  204.581   22.360  213.025   20.566 -8.443512 30.37997 
1 1 1    0    1   29 o  384.493   14.884  192.196   14.824  211.400   21.375  174.400   20.576  402.034   20.595  364.822   21.875 37.21222 30.04404 
1 1 1    0    1   30 o  502.145   12.025  327.524   15.641  315.731   18.954  352.700   27.693  492.645   14.853  519.631   20.574 -26.98700 25.37556 
1 1 1    0    1   31 o  317.472   11.397  130.949   9.3723  136.894   13.322  125.124   13.188  324.118   15.868  309.362   16.517 14.75690 22.90421 
1 1 1    0    1   32 o   80.856   27.216   8.1412   6.7443   7.1805   9.8001   9.0056   9.2957   85.283   32.301   88.616   31.821 -3.332832 45.34191 
1 1 1    0    1   33 o  346.730   11.449  156.478   10.282  163.893   14.902  149.738   14.206  353.963   16.253  338.343   16.209 15.62051 22.95417 
1 1 1    0    1   34 o  369.252   10.993  177.585   10.515  179.148   15.054  176.096   14.693  369.794   15.716  366.697   15.469 3.097595 22.05164 
1 1 1    0    1   35 o  110.404   23.691   16.860   6.5723   12.514   9.1623   21.466   9.4329   96.806   31.695  123.383   29.841 -26.57756 43.53196 
1 1 1    0    1   36 f  235.771   13.536   73.066   8.2319   91.076   11.604   54.823   11.679  262.196   17.181  201.279   22.803 60.91672 28.55138 
1 1 1    0    1   37 o  218.190   14.336   62.841   8.0573   55.624   11.621   69.524   11.181  202.400   22.549  227.926   19.115 -25.52571 29.56065 
1 1 1    0    1   38 o  304.721   16.700  123.453   13.131  129.600   18.722  117.500   18.423  308.325   23.621  292.950   24.503 15.37552 34.03488 
1 1 1    0    1   39 o  169.035   20.645   39.072   8.8518   27.568   10.555   66.340   16.250  137.393   30.458  215.384   29.937 -77.99124 42.70712 
1 1 1    0    1   40 o  353.980   11.571  164.820   10.610  156.738   14.724  173.548   15.302  342.418   16.600  360.454   16.389 -18.03647 23.32762 
1 1 1    0    1   41 o  168.734   18.238   38.885   7.8445   17.819   11.023   60.502   11.166  108.080   34.717  209.302   20.874 -101.2220 40.50892 
1 1 1    0    1   42 o  372.922   13.177  184.741   12.729  192.700   21.607  180.511   15.752  371.472   22.562  365.934   16.618 5.537445 28.02178 
1 1 1    0    1   43 o  206.878   17.463   58.553   9.2704   63.170   13.891   54.844   12.448  208.217   26.344  194.710   25.278 13.50771 36.51011 
1 1 1    0    1   44 o   75.061   29.149   6.8319   8.1181   10.590   10.811   1.9720   12.293   87.581   33.741   74.862   32.889 12.71895 47.11855 
1 1 1    0    1   45 f  144.517   22.779   30.501   8.2448   26.034   11.747   34.839   11.575  123.854   35.042  147.721   31.227 -23.86780 46.93667 
1 1 1    0    1   46 o   74.966   29.736   7.2230   8.6032   0.3176   11.909   14.761   12.442   69.556   31.340   94.244   36.227 -24.68787 47.90215 
1 1 1    0    1   47 o   76.579   36.656  -6.8730   20.674   0.0000   0.0000  -6.8730   20.674  ?   ?    76.579   36.656 0.000000 36.65598 
1 1 1    0    1   48 f  190.594   19.104   52.516   9.3045   48.222   13.191   56.769   13.127  169.008   31.283  188.119   27.774 -19.11087 41.83298 
1 1 1    0    1   49 o  111.511   30.038   21.685   8.8707   19.984   12.097   23.663   13.047  100.065   36.250  106.808   37.768 -6.742767 52.34964 
1 1 1    0    1   50 o  220.255   17.762   70.562   10.047   78.391   15.010   64.206   13.524  217.173   27.284  196.433   27.320 20.74022 38.61079 
1 1 1    0    2    0 o  362.821   10.840  170.548   10.188  169.500   14.393  171.600   14.423  361.645   15.364  363.880   15.302 -2.234375 21.68396 
1 1 1    0    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    3 o  308.790   10.623  123.573   8.4967   0.0000   0.0000  123.573   8.4967  ?   ?   308.790   10.623 0.000000 10.62274 
1 1 1    0    2    4 o  821.382   10.122  874.305   21.535  858.760   30.074  890.666   30.852  813.813   14.267  828.786   14.371 -14.97290 20.25005 
1 1 1    0    2    5 o  989.025   11.310  1267.81   28.975  1250.33   40.521  1286.10   41.449  981.828   15.933  995.758   16.070 -13.92993 22.62959 
1 1 1    0    2    6 o   62.424   12.128   5.2251   1.8904   5.5758   2.5979   4.8303   2.7559   64.292   15.729   60.225   16.950 4.067467 23.12335 
1 1 1    0    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    8 o  656.865   9.2541  559.117   15.746  555.063   22.198  563.222   22.338  654.307   13.097  659.099   13.084 -4.792114 18.51311 
1 1 1    0    2    9 o  373.670   11.512  180.994   11.143   0.0000   0.0000  180.994   11.143  ?   ?   373.670   11.512 0.000000 11.51235 
1 1 1    0    2   10 o  2788.50   53.378 10260.00  385.549   0.0000   0.0000 10260.00  385.549  ?   ?   2788.50   53.378 0.000000 53.37761 
1 1 1    0    2   11 o  1278.05   13.629  2118.26   45.120  2132.83   64.205  2104.04   63.420  1281.60   19.340  1272.94   19.234 8.660767 27.27636 
1 1 1    0    2   12 o  580.989   9.0226  437.446   13.578  430.617   19.000  444.576   19.412  576.260   12.729  585.522   12.799 -9.261658 18.05097 
1 1 1    0    2   13 o   77.407   17.224   8.0870   3.3646   10.844   5.0080   5.8187   4.5425   89.545   21.796   68.270   22.315 21.27461 31.19355 
1 1 1    0    2   14 o  101.727   13.552   13.664   3.4822   15.359   4.8010   11.782   5.0584  107.295   17.905   93.315   21.385 13.98006 27.89118 
1 1 1    0    2   15 o   65.934   19.445   5.7427   3.5477   0.8875   5.0842   10.350   4.9528   53.656   22.266   87.422   21.914 -33.76604 31.24100 
1 1 1    0    2   16 o  226.069   9.7080   66.310   5.6849   64.016   8.0803   68.558   7.9996  221.456   14.160  229.281   13.529 -7.825668 19.58454 
1 1 1    0    2   17 f  828.005   10.562  890.529   22.653  893.586   32.150  887.514   31.922  828.208   14.986  825.407   14.931 2.800964 21.15439 
1 1 1    0    2   18 o  118.054   13.652   18.380   4.0976   27.706   6.0049   10.253   5.6054  144.848   16.287   86.977   24.066 57.87146 29.05930 
1 1 1    0    2   19 o  315.142   9.3764  128.868   7.6541  126.862   10.711  130.961   10.942  312.389   13.237  317.390   13.309 -5.000793 18.77072 
1 1 1    0    2   20 o  1015.11   23.953  1346.00   62.984   0.0000   0.0000  1346.00   62.984  ?   ?   1015.11   23.953 0.000000 23.95334 
1 1 1    0    2   21 o  1585.15   16.211  3263.70   66.561  3288.24   94.954  3240.00   93.329  1588.77   23.073  1577.16   22.845 11.60767 32.46935 
1 1 1    0    2   22 o  732.966   10.363  696.504   19.674  710.165   28.336  683.787   27.339  739.736   14.788  725.893   14.540 13.84351 20.73844 
1 1 1    0    2   23 o  816.025   10.990  863.364   23.230  879.348   33.511  848.577   32.232  823.082   15.718  808.589   15.389 14.49274 21.99704 
1 1 1    0    2   24 o  1369.05   14.746  2432.36   52.293  2466.55   74.992  2399.99   72.957  1377.22   21.021  1358.59   20.731 18.63293 29.52424 
1 1 1    0    2   25 o  1153.42   13.074  1726.04   39.061  1743.57   55.916  1709.33   54.588  1158.23   18.638  1146.86   18.375 11.37341 26.17284 
1 1 1    0    2   26 o  199.842   14.180   52.103   7.2926   54.218   10.340   50.009   10.287  203.183   19.902  194.944   20.687 8.239380 28.70648 
1 1 1    0    2   27 o  138.080   18.847   25.261   6.5649   45.302   9.6219   7.8069   8.9796  185.426   20.368   85.503   31.193 99.92307 37.25406 
1 1 1    0    2   28 o  695.399   10.555  627.353   19.013  621.695   26.831  633.059   26.945  691.673   14.976  697.977   14.904 -6.304504 21.12789 
1 1 1    0    2   29 o  978.625   16.989  1246.60   43.065  1291.00   62.720  1207.00   59.235  993.276   24.377  960.646   23.805 32.62958 34.07244 
1 1 1    0    2   30 o  651.832   10.555  551.546   17.822  539.593   24.855  564.196   25.569  644.003   14.900  658.503   14.990 -14.49988 21.13532 
1 1 1    0    2   31 o  458.449   10.550  272.959   12.528  271.967   17.819  273.930   17.619  456.965   15.054  458.649   14.830 -1.683838 21.13154 
1 1 1    0    2   32 o  368.469   11.098  176.505   10.593  163.673   15.201  188.617   14.769  354.005   16.577  380.313   14.992 -26.30823 22.35097 
1 1 1    0    2   33 o  105.434   26.106   15.344   7.0919   11.276   10.325   18.978   9.7578   95.976   33.627  116.831   31.518 -20.85516 46.08837 
1 1 1    0    2   34 o  212.639   14.203   59.375   7.7781   51.029   11.235   67.056   10.779  194.923   22.676  224.958   18.666 -30.03558 29.37066 
1 1 1    0    2   35 o  590.367   10.438  454.170   15.963  457.412   22.867  451.089   22.294  590.584   14.948  586.621   14.671 3.962952 20.94485 
1 1 1    0    2   36 o   94.368   26.479   12.410   6.7361   7.4368   9.2015   18.152   9.8881   83.033   31.335  113.023   32.211 -29.98978 44.93758 
1 1 1    0    2   37 o  202.260   14.609   54.086   7.6026   47.104   10.991   60.491   10.528  185.719   23.364  212.388   19.348 -26.66881 30.33478 
1 1 1    0    2   38 o  213.967   21.236   62.121   11.614   59.320   16.271   65.030   16.584  203.475   31.921  213.861   30.827 -10.38594 44.37616 
1 1 1    0    2   39 o  216.232   18.433   63.041   10.226   67.515   12.628   54.520   17.428  221.872   22.273  190.469   36.654 31.40329 42.89114 
1 1 1    0    2   40 o  311.947   11.962  128.159   9.6660  133.178   13.684  123.160   13.656  315.047   16.829  302.505   17.503 12.54202 24.28056 
1 1 1    0    2   41 o  138.000   23.259   27.011   8.0186   19.230   12.073   33.152   10.726  111.498   36.377  150.131   28.626 -38.63249 46.28966 
1 1 1    0    2   42 o  110.090   28.348   18.194   8.1325   29.260   14.021   12.583   9.9835  133.587   38.446   93.306   33.033 40.28101 50.68756 
1 1 1    0    2   43 o  153.315   21.404   33.223   8.2683   34.609   12.216   32.052   11.232  148.873   32.584  144.310   30.974 4.563095 44.95651 
1 1 1    0    2   44 o  273.755   28.452  112.400   19.881   0.0000   0.0000  112.400   19.881  ?   ?   273.755   28.452 0.000000 28.45182 
1 1 1    0    2   45 o   85.763   30.750   11.114   8.6779   15.750   11.582   5.1790   13.104   97.976   35.473   79.767   34.512 18.20840 49.49186 
1 1 1    0    2   46 o  154.973   22.092   35.241   8.6171   36.573   11.799   33.719   12.614  149.375   31.488  139.523   34.972 9.851776 47.05816 
1 1 1    0    2   47 o  104.874   43.432   23.040   19.287   0.0000   0.0000   23.040   19.287  ?   ?   104.874   43.432 0.000000 43.43242 
1 1 1    0    2   48 o  118.830   29.377   23.717   8.9911   7.2880   13.192   37.969   12.287   78.758   34.348  147.221   33.032 -68.46214 47.65398 
1 1 1    0    2   49 o   87.670   30.909   13.572   8.7323  -3.1847   12.899   27.751   11.865   64.485   30.296  119.438   35.642 -54.95290 46.77817 
1 1 1    0    2   50 o   67.402   28.010   5.9831   8.0611   4.3891   10.373   8.4136   12.809   67.870   29.997   76.402   33.568 -8.532135 45.01844 
1 1 1    0    3    1 o  855.452   10.364  948.363   22.966  936.680   32.199  960.462   32.767  849.911   14.626  860.628   14.699 -10.71655 20.73548 
1 1 1    0    3    2 o  731.144   13.551  693.071   25.663   0.0000   0.0000  693.071   25.663  ?   ?   731.144   13.551 0.000000 13.55073 
1 1 1    0    3    3 o  386.790   7.8803  193.832   7.8953  197.774   11.237  189.988   11.096  390.635   11.105  382.867   11.189 7.768494 15.76392 
1 1 1    0    3    4 o  299.850   7.6078  116.486   5.9090  117.191   8.3547  115.781   8.3585  300.706   10.726  298.890   10.796 1.815765 15.21853 
1 1 1    0    3    5 o  1271.84   13.466  2097.24   44.364  2058.61   61.656  2138.71   63.882  1259.42   18.900  1283.65   19.213 -24.22485 26.95029 
1 1 1    0    3    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    7 o  157.013   12.399   32.158   5.0017   0.0000   0.0000   32.158   5.0017  ?   ?   157.013   12.399 0.000000 12.39877 
1 1 1    0    3    8 o  270.615   11.296   94.923   7.9179   0.0000   0.0000   94.923   7.9179  ?   ?   270.615   11.296 0.000000 11.29552 
1 1 1    0    3    9 o  1221.14   26.355  1940.00   83.363   0.0000   0.0000  1940.00   83.363  ?   ?   1221.14   26.355 0.000000 26.35465 
1 1 1    0    3   10 f  734.414   11.291  699.157   21.479  713.999   26.626  671.500   36.346  742.007   13.853  719.129   19.512 22.87872 23.92990 
1 1 1    0    3   11 o  719.623   9.7788  671.161   18.228  679.076   25.941  663.442   25.618  723.606   13.840  715.229   13.828 8.376953 19.56433 
1 1 1    0    3   12 o  1528.00   15.595  3029.70   61.724  3024.44   87.131  3035.01   87.452  1525.22   22.054  1527.87   22.097 -2.652710 31.21950 
1 1 1    0    3   13 o   75.967   17.725   7.7969   3.4241   1.5612   4.9828   13.376   4.7132   55.106   22.363   99.830   18.919 -44.72453 29.29254 
1 1 1    0    3   14 o  378.071   8.5869  185.273   8.4093  188.839   12.129  181.972   11.669  381.534   12.273  374.544   12.028 6.989716 17.18424 
1 1 1    0    3   15 o  220.645   9.2456   63.130   5.2842   67.483   7.3389   58.444   7.6148  227.669   12.492  211.676   13.966 15.99397 18.73802 
1 1 1    0    3   16 o  269.404   9.3469   94.171   6.5226   94.951   9.3695   93.437   9.0857  270.260   13.384  268.119   13.082 2.141144 18.71565 
1 1 1    0    3   17 o  293.115   9.1015  111.525   6.9104  112.236   9.6823  110.786   9.8659  293.735   12.725  291.798   13.053 1.937561 18.22939 
1 1 1    0    3   18 o  533.126   9.2972  368.953   12.839  379.875   18.511  358.828   17.823  540.328   13.225  525.169   13.102 15.15918 18.61649 
1 1 1    0    3   19 o  257.491   11.791   86.109   7.8642   86.926   9.7638   84.600   13.269  258.103   14.665  253.736   20.360 4.367584 25.09161 
1 1 1    0    3   20 o  663.808   14.205  572.317   24.425  624.100   36.891  531.900   32.592  692.114   20.578  639.108   19.687 53.00574 28.47872 
1 1 1    0    3   21 o  1018.01   16.923  1346.29   44.626   0.0000   0.0000  1346.29   44.626  ?   ?   1018.01   16.923 0.000000 16.92324 
1 1 1    0    3   22 o  1471.94   15.364  2812.22   58.578  2852.92   84.214  2774.07   81.536  1480.87   21.954  1460.38   21.554 20.48865 30.76639 
1 1 1    0    3   23 o  421.559   10.396  230.386   11.352  232.525   16.624  228.518   15.539  423.280   15.162  419.665   14.295 3.615356 20.83813 
1 1 1    0    3   24 o  1352.39   14.644  2373.51   51.301  2351.75   72.242  2395.64   72.863  1344.82   20.738  1357.32   20.724 -12.49390 29.31839 
1 1 1    0    3   25 o  750.518   10.707  730.396   20.816  732.983   29.876  727.957   29.018  751.374   15.350  748.839   14.960 2.534485 21.43434 
1 1 1    0    3   26 o  752.490   10.774  734.365   21.001  789.758   31.274  688.872   28.342  779.791   15.483  728.342   15.023 51.44824 21.57336 
1 1 1    0    3   27 o  390.867   14.890  198.454   15.076   0.0000   0.0000  198.454   15.076  ?   ?   390.867   14.890 0.000000 14.88992 
1 1 1    0    3   28 o  701.715   10.655  638.847   19.366  637.309   27.866  640.284   26.934  700.214   15.364  701.935   14.813 -1.721497 21.34187 
1 1 1    0    3   29 o  512.156   21.027  342.400   27.896   0.0000   0.0000  342.400   27.896  ?   ?   512.156   21.027 0.000000 21.02721 
1 1 1    0    3   30 o  704.043   10.790  643.547   19.677  653.709   28.477  634.260   27.222  708.657   15.513  698.138   15.053 10.51837 21.61617 
1 1 1    0    3   31 o  241.458   13.767   76.117   8.5748   79.989   12.679   72.853   11.641  246.474   20.033  235.299   19.268 11.17421 27.79477 
1 1 1    0    3   32 o  483.737   10.428  304.107   13.066  314.809   19.336  295.112   17.726  491.233   15.196  475.796   14.383 15.43723 20.92326 
1 1 1    0    3   33 o  278.611   12.521  101.160   9.0361  112.108   13.352   91.908   12.274  291.875   17.744  264.095   18.051 27.77945 25.31155 
1 1 1    0    3   34 o  431.799   10.610  242.800   11.867  239.102   17.189  246.167   16.404  427.173   15.534  433.731   14.601 -6.557800 21.31885 
1 1 1    0    3   35 o  198.161   14.116   51.690   7.1982   49.889   10.251   53.441   10.110  192.835   20.855  199.991   19.775 -7.156067 28.73975 
1 1 1    0    3   36 o  105.747   24.695   15.627   6.6419   22.622   9.1392   7.7974   9.6693  126.529   28.562   84.895   32.101 41.63387 42.96815 
1 1 1    0    3   37 o  269.518   12.128   95.123   8.4670   90.117   12.033  100.034   11.917  260.057   17.973  274.513   16.840 -14.45529 24.62940 
1 1 1    0    3   38 o  176.772   35.462   46.090   15.673   0.0000   0.0000   46.090   15.673  ?   ?   176.772   35.462 0.000000 35.46176 
1 1 1    0    3   39 o  642.309   10.926  540.914   18.179  530.274   25.802  551.402   25.617  631.813   15.766  644.706   15.340 -12.89386 21.99681 
1 1 1    0    3   40 o  287.415   14.580  109.977   10.819  111.400   18.490  109.236   13.342  281.496   25.639  284.299   18.213 -2.802124 31.44948 
1 1 1    0    3   41 o   86.609   29.223   10.603   7.7760   2.6890   12.888   15.133   9.7508   79.444   34.300  100.616   32.685 -21.17155 47.37897 
1 1 1    0    3   42 o  176.242   17.531   42.447   7.8968   45.320   11.651   40.005   10.740  176.781   26.240  166.240   25.776 10.54132 36.78240 
1 1 1    0    3   43 o   68.286   27.502   4.4255   7.4737   5.8602   10.447   2.9216   10.696   78.101   32.117   73.368   31.456 4.733070 44.95528 
1 1 1    0    3   44 o   75.526   27.914   7.6270   7.2268   0.7366   10.546   13.727   9.9227   68.729   30.318   94.183   32.967 -25.45442 44.78885 
1 1 1    0    3   45 o  119.751   30.763   23.156   9.5929   18.733   11.765   31.930   16.570  104.738   35.940  128.839   42.645 -24.10106 55.76980 
1 1 1    0    3   46 o  105.703   32.761   19.071   9.8980   29.224   12.589   2.6310   16.019  127.700   36.327   79.375   36.001 48.32492 51.14440 
1 1 1    0    3   47 o   75.603   35.600  -2.7660   17.988   0.0000   0.0000  -2.7660   17.988  ?   ?    75.603   35.600 0.000000 35.60003 
1 1 1    0    3   48 o  156.642   22.406   37.018   8.8322   32.077   11.690   43.589   13.481  133.640   33.760  156.316   34.242 -22.67593 48.08611 
1 1 1    0    3   49 o   89.391   30.398   14.144   8.4145   10.693   11.814   17.696   11.988   81.176   33.835   94.718   35.761 -13.54223 49.23055 
1 1 1    0    3   50 o  225.674   17.517   74.028   10.160   72.586   14.718   75.340   14.042  206.942   28.189  214.935   25.733 -7.992691 38.16852 
1 1 1    0    4    0 o  936.368   15.460  1136.35   37.497  1147.00   53.409  1126.00   52.656  940.418   21.925  931.776   21.817 8.642395 30.93030 
1 1 1    0    4    1 o  1443.70   14.807  2702.87   55.373  2635.93   76.428  2776.82   80.337  1424.85   20.708  1462.35   21.209 -37.49512 29.64170 
1 1 1    0    4    2 o  183.648   7.8878   43.697   3.7522   47.037   5.3963   40.570   5.2210  190.188   11.001  176.546   11.479 13.64201 15.89921 
1 1 1    0    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    4 o  561.106   17.441  408.500   25.350  408.500   25.350   0.0000   0.0000  561.106   17.441  ?   ?  0.000000 17.44120 
1 1 1    0    4    5 o  866.453   10.511  972.968   23.591  976.118   33.460  969.854   33.265  867.565   14.889  864.779   14.850 2.785217 21.02905 
1 1 1    0    4    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    7 o  616.228   12.793  492.321   20.420   0.0000   0.0000  492.321   20.420  ?   ?   616.228   12.793 0.000000 12.79300 
1 1 1    0    4    8 o  500.120   8.5776  324.097   11.112  315.512   15.572  333.003   15.861  493.333   12.186  506.827   12.082 -13.49384 17.15984 
1 1 1    0    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   10 o  1181.94   18.217  1813.49   55.772   0.0000   0.0000  1813.49   55.772  ?   ?   1181.94   18.217 0.000000 18.21668 
1 1 1    0    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   12 o  936.768   11.179  1137.72   27.125  1133.30   38.271  1142.18   38.452  934.465   15.811  938.114   15.824 -3.649536 22.36911 
1 1 1    0    4   13 o  126.275   12.293   20.877   3.9699   23.466   5.7645   18.541   5.4752  133.338   17.083  118.049   18.515 15.28960 25.19151 
1 1 1    0    4   14 o  579.203   9.2184  434.926   13.830  429.774   19.450  440.195   19.670  575.473   13.048  582.410   13.038 -6.936646 18.44608 
1 1 1    0    4   15 o  336.361   8.8345  146.717   7.6973  145.744   10.987  147.655   10.788  335.022   12.660  337.232   12.349 -2.210144 17.68570 
1 1 1    0    4   16 o  279.803   9.3915  101.605   6.8067   96.167   9.5655  107.182   9.6879  271.909   13.581  287.109   13.027 -15.19962 18.81858 
1 1 1    0    4   17 o  268.023   9.4615   93.272   6.5687   92.827   9.0464   93.768   9.5535  267.080   13.076  268.007   13.808 -0.9266052 19.01739 
1 1 1    0    4   18 o  579.672   9.4757  436.190   14.228  425.550   19.934  447.240   20.314  571.897   13.456  586.306   13.376 -14.40961 18.97332 
1 1 1    0    4   19 o  154.546   27.636   32.280   10.657   0.0000   0.0000   32.280   10.657  ?   ?   154.546   27.636 0.000000 27.63597 
1 1 1    0    4   20 o  589.514   11.187  450.837   17.083  460.915   21.246  432.400   28.736  595.816   13.766  576.410   19.246 19.40570 23.66250 
1 1 1    0    4   21 o  274.972   10.051   98.027   7.1588  101.634   9.9161   94.101   10.346  279.862   13.679  268.832   14.916 11.03104 20.23819 
1 1 1    0    4   22 o  890.402   15.997  1029.23   36.895   0.0000   0.0000  1029.23   36.895  ?   ?   890.402   15.997 0.000000 15.99662 
1 1 1    0    4   23 o  121.175   22.831   19.728   6.9034   31.362   11.047   12.274   8.8427  152.552   29.016   97.815   31.060 54.73660 42.50505 
1 1 1    0    4   24 o  1018.79   17.277  1348.13   45.593   0.0000   0.0000  1348.13   45.593  ?   ?   1018.79   17.277 0.000000 17.27687 
1 1 1    0    4   25 o  574.364   10.139  427.732   15.085  426.603   21.423  428.842   21.246  573.282   14.426  574.798   14.270 -1.515930 20.29135 
1 1 1    0    4   26 o  896.834   11.435  1043.35   26.565  1054.19   37.705  1032.67   37.432  900.771   16.160  891.520   16.209 9.250916 22.88840 
1 1 1    0    4   27 o  290.914   11.440  109.808   8.6208  106.769   12.154  112.884   12.229  286.116   16.469  294.266   16.105 -8.150238 23.03497 
1 1 1    0    4   28 o  749.960   15.344  731.162   29.808   0.0000   0.0000  731.162   29.808  ?   ?   749.960   15.344 0.000000 15.34435 
1 1 1    0    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   30 o  733.854   10.874  699.290   20.671  696.560   29.470  701.933   29.001  731.438   15.554  734.329   15.247 -2.890747 21.78070 
1 1 1    0    4   31 o  287.586   12.210  107.539   9.0958   98.410   13.256  115.661   12.504  273.744   18.809  297.356   16.296 -23.61169 24.88603 
1 1 1    0    4   32 o  517.342   10.411  347.875   13.952  334.428   19.899  360.877   19.567  506.233   15.175  526.077   14.359 -19.84409 20.89173 
1 1 1    0    4   33 o  346.746   11.276  156.536   10.127  149.005   14.558  163.599   14.098  337.262   16.664  353.688   15.388 -16.42545 22.68228 
1 1 1    0    4   34 o  364.441   10.938  173.051   10.325  161.724   14.964  183.345   14.265  350.990   16.459  374.220   14.716 -23.22992 22.07875 
1 1 1    0    4   35 o  382.910   10.987  191.247   10.898  188.103   15.599  194.244   15.230  378.283   15.920  384.629   15.287 -6.346191 22.07081 
1 1 1    0    4   36 o  322.524   11.183  135.858   9.3429  125.983   12.997  146.417   13.440  308.727   16.310  333.525   15.557 -24.79871 22.53967 
1 1 1    0    4   37 o  141.369   18.237   26.951   6.5226   24.506   8.6737   30.133   9.8952  132.032   26.286  146.450   27.082 -14.41840 37.74080 
1 1 1    0    4   38 o   86.998   34.532   7.3760   11.610   0.0000   0.0000   7.3760   11.610  ?   ?    86.998   34.532 0.000000 34.53215 
1 1 1    0    4   39 o  120.462   24.957   20.657   7.5315   22.350   13.154   19.832   9.1863  121.120   37.805  116.098   30.244 5.022987 48.41412 
1 1 1    0    4   40 o  234.596   16.121   73.868   9.7370   99.680   16.434   59.904   12.087  267.276   23.992  207.485   22.870 59.79155 33.14609 
1 1 1    0    4   41 o  138.442   21.611   26.928   7.4966   34.774   11.496   21.124   9.8882  152.601   30.153  117.565   31.732 35.03597 43.77358 
1 1 1    0    4   42 o  154.005   20.945   33.255   8.1384   29.465   11.557   36.984   11.463  137.543   32.884  157.288   29.209 -19.74579 43.98339 
1 1 1    0    4   43 o   79.471   29.042   8.5498   7.7888   8.4737   11.202   8.6210   10.837   84.378   33.780   84.122   33.372 0.2561798 47.48420 
1 1 1    0    4   44 o  172.086   20.100   41.780   8.7908   32.057   12.373   51.690   12.492  139.761   34.407  186.222   26.658 -46.46043 43.52583 
1 1 1    0    4   45 o   93.197   27.967   13.629   7.2901   11.726   9.6442   16.165   11.135   87.492   32.264   98.506   34.885 -11.01478 47.51801 
1 1 1    0    4   46 o  127.082   28.309   25.779   9.0799   25.073   10.470   27.920   18.235  121.331   32.612  115.198   43.958 6.133263 54.73426 
1 1 1    0    4   47 o   70.494   33.448  -5.7910   16.455  -5.7910   16.455   0.0000   0.0000   70.494   33.448  ?   ?  0.000000 33.44848 
1 1 1    0    4   48 o   53.789   25.111  -4.0081   8.6288  -7.4981   12.339  -0.6675   12.072   59.924   28.583   66.352   30.528 -6.428864 41.82037 
1 1 1    0    4   49 o   84.979   31.415   12.815   9.1542   29.699   13.404  -1.9447   12.532  118.782   38.296   64.688   30.221 54.09386 48.78413 
1 1 1    0    4   50 o   68.854   28.796   6.5507   8.5972   15.436   13.019  -0.3201   11.448   86.650   35.768   63.036   29.259 23.61383 46.21056 
1 1 1    0    5    1 o  691.680   9.4188  619.955   16.875  610.014   23.639  630.286   24.098  685.932   13.305  697.234   13.343 -11.30219 18.84259 
1 1 1    0    5    2 o  190.073   8.2101   46.810   4.0422   50.721   5.8304   43.190   5.6091  197.486   11.447  182.144   11.955 15.34235 16.55128 
1 1 1    0    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    5 o  218.094   9.9224   61.641   5.6054   68.890   10.238   58.538   6.6987  229.768   17.329  212.146   12.242 17.62143 21.21723 
1 1 1    0    5    6 o  236.301   8.3964   72.351   5.1393   71.542   7.2498   73.168   7.2866  234.617   11.969  237.579   11.840 -2.962601 16.83616 
1 1 1    0    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    9 o  489.135   17.178  310.500   21.764   0.0000   0.0000  310.500   21.764  ?   ?   489.135   17.178 0.000000 17.17754 
1 1 1    0    5   10 o  1159.12   12.738  1742.18   38.245  1767.03   54.797  1718.58   53.403  1166.65   18.133  1150.58   17.918 16.07178 25.49257 
1 1 1    0    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   13 o  220.656   9.5038   63.120   5.4321   65.762   7.8064   60.640   7.5636  224.717   13.473  215.743   13.604 8.973465 19.14674 
1 1 1    0    5   14 o  350.536   8.9148  159.313   8.0946  156.663   11.460  161.952   11.435  347.414   12.735  353.244   12.497 -5.830170 17.84231 
1 1 1    0    5   15 o  386.596   8.9589  193.865   8.9715  195.050   12.805  192.722   12.573  387.472   12.758  385.168   12.602 2.304443 17.93287 
1 1 1    0    5   16 o  421.028   9.0585  230.075   9.8791  234.606   14.123  225.733   13.824  424.697   12.838  416.592   12.811 8.104797 18.13647 
1 1 1    0    5   17 o  514.897   9.2220  344.191   12.300  342.062   17.561  346.242   17.233  512.655   13.224  515.839   12.897 -3.184631 18.47199 
1 1 1    0    5   18 o  443.237   9.1825  254.944   10.543  262.997   14.939  246.954   14.880  449.764   12.823  435.783   13.182 13.98145 18.39007 
1 1 1    0    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   20 o  578.398   9.6832  433.776   14.508  433.252   20.516  434.301   20.518  577.720   13.710  578.421   13.694 -0.7005005 19.37742 
1 1 1    0    5   21 o  206.673   12.068   55.589   6.4327   52.651   8.8445   58.888   9.3729  200.601   17.187  212.230   17.198 -11.62924 24.31365 
1 1 1    0    5   22 o  164.750   15.922   35.562   6.7101   39.736   9.3634   31.155   9.6209  173.516   21.279  152.673   25.208 20.84293 32.98800 
1 1 1    0    5   23 o  1056.03   12.638  1446.48   34.570  1439.33   48.821  1453.67   48.959  1052.64   17.905  1057.88   17.867 -5.239014 25.29453 
1 1 1    0    5   24 o  420.416   13.740  229.347   14.963  229.347   14.963   0.0000   0.0000  420.416   13.740  ?   ?  0.000000 13.74029 
1 1 1    0    5   25 o  504.989   9.9093  330.643   12.962  339.328   18.803  322.779   17.893  511.284   14.198  498.688   13.852 12.59659 19.83539 
1 1 1    0    5   26 o  856.981   11.291  952.708   25.065  970.828   36.170  935.967   34.766  864.368   16.155  848.765   15.813 15.60272 22.60611 
1 1 1    0    5   27 f  846.700   11.335  930.206   24.861  926.205   35.190  934.193   35.128  844.089   16.094  847.740   15.997 -3.651001 22.69229 
1 1 1    0    5   28 o  496.808   14.657  320.804   18.862   0.0000   0.0000  320.804   18.862  ?   ?   496.808   14.657 0.000000 14.65684 
1 1 1    0    5   29 o  336.985   23.312  149.300   20.224   0.0000   0.0000  149.300   20.224  ?   ?   336.985   23.312 0.000000 23.31192 
1 1 1    0    5   30 o  357.529   10.806  165.998   10.007  168.499   13.644  163.085   14.723  359.811   14.639  353.807   16.065 6.004395 21.73452 
1 1 1    0    5   31 o  252.729   12.057   83.059   7.8929   91.062   11.238   75.269   11.088  263.649   16.540  239.331   18.017 24.31819 24.45783 
1 1 1    0    5   32 o  105.769   24.624   15.369   6.6203   23.955   9.8478   8.2896   8.9425  131.534   29.617   85.792   31.154 45.74173 42.98525 
1 1 1    0    5   33 o  242.277   13.395   76.840   8.3737   75.880   11.867   77.793   11.817  239.390   19.302  242.497   18.964 -3.107544 27.05927 
1 1 1    0    5   34 o  513.188   10.416  343.029   13.846  342.744   19.909  343.296   19.270  511.416   15.028  512.023   14.529 -0.6071777 20.90331 
1 1 1    0    5   35 o  320.612   11.761  134.255   9.7676  138.733   13.958  129.958   13.673  324.140   16.681  313.616   16.894 10.52359 23.74137 
1 1 1    0    5   36 o  213.843   14.241   60.315   7.8432   52.576   11.334   67.427   10.865  196.849   22.640  224.679   18.843 -27.83017 29.45538 
1 1 1    0    5   37 o  519.939   10.613  353.293   14.293  347.106   20.195  359.503   20.232  512.957   15.199  522.186   14.958 -9.229004 21.32470 
1 1 1    0    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   39 o  355.919   12.579  166.921   11.597  173.700   18.481  162.518   14.894  357.937   20.013  349.067   16.473 8.870392 25.92077 
1 1 1    0    5   40 o  262.252   13.737   91.437   9.2993   79.580   14.132  100.493   12.350  239.030   23.112  272.763   17.573 -33.73306 29.03429 
1 1 1    0    5   41 o   80.059   26.328   9.0127   6.3194   7.5382   8.0562   11.371   10.189   78.109   29.352   90.784   33.210 -12.67535 44.32246 
1 1 1    0    5   42 o  169.905   17.736   39.599   7.6906   35.694   10.647   43.860   11.121  155.467   27.442  174.105   25.407 -18.63821 37.39738 
1 1 1    0    5   43 o  141.052   23.434   28.785   8.2616   24.700   11.482   33.170   11.896  123.250   34.566  145.084   32.465 -21.83427 47.42154 
1 1 1    0    5   44 o  103.892   28.245   16.783   7.8009   13.140   11.705   19.695   10.463   93.064   35.288  109.410   33.646 -16.34664 48.75787 
1 1 1    0    5   45 o   86.131   30.185   11.507   8.3199   19.827   11.976   3.7472   11.567  106.483   36.264   74.203   32.265 32.28007 48.53985 
1 1 1    0    5   46 o   71.631   30.128   5.1794   9.4955 -10.1637   12.489   26.200   14.618   59.260   28.399  115.569   40.039 -56.30832 49.08764 
1 1 1    0    5   47 o  191.902   31.161   61.404   14.958   61.404   14.958   0.0000   0.0000  191.902   31.161  ?   ?  0.000000 31.16072 
1 1 1    0    5   48 o  138.737   27.587   31.420   9.5650   28.776   13.120   34.419   13.975  119.680   37.815  130.762   38.601 -11.08135 54.03705 
1 1 1    0    5   49 o  188.136   19.149   52.114   9.2017   57.823   12.368   45.036   13.771  189.454   25.880  154.251   35.237 35.20305 43.71984 
1 1 1    0    5   50 o  181.309   19.163   49.177   8.8636   53.060   11.519   43.541   13.877  179.824   25.441  145.603   36.782 34.22044 44.72313 
1 1 1    0    6    0 o  1387.48   20.366  2496.49   73.195  2493.00  103.336  2500.00  103.691  1385.63   28.791  1387.56   28.849 -1.936646 40.75793 
1 1 1    0    6    1 o  266.101   8.1634   91.747   5.6269   89.113   7.9124   94.443   8.0036  262.197   11.650  269.928   11.447 -7.730957 16.33265 
1 1 1    0    6    2 o  279.245   8.1396  101.034   5.8876  100.560   8.2985  101.516   8.3544  278.531   11.502  279.851   11.525 -1.320313 16.28254 
1 1 1    0    6    3 o  229.830   8.5005   68.443   5.0606   71.090   7.2607   65.943   7.0571  233.870   12.026  225.214   12.142 8.655701 17.08963 
1 1 1    0    6    4 o  968.795   16.049  1217.57   40.275  1217.57   40.275   0.0000   0.0000  968.795   16.049  ?   ?  0.000000 16.04902 
1 1 1    0    6    5 o  1034.65   16.730  1388.96   44.836  1388.96   44.836   0.0000   0.0000  1034.65   16.730  ?   ?  0.000000 16.72966 
1 1 1    0    6    6 f  1120.08   12.432  1626.52   36.070  1645.00   72.738  1620.50   41.537  1124.69   24.968  1117.81   14.346 6.876221 28.79536 
1 1 1    0    6    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6    8 o  179.326   10.929   41.839   5.0523   37.341   6.4028   49.260   8.2245  169.027   14.772  194.141   16.511 -25.11427 22.15499 
1 1 1    0    6    9 o  136.709   11.528   24.401   4.0441   25.644   5.7483   23.183   5.6906  139.647   16.192  132.579   16.959 7.067947 23.44742 
1 1 1    0    6   10 o  1546.28   22.358  3108.85   89.552   0.0000   0.0000  3108.85   89.552  ?   ?   1546.28   22.358 0.000000 22.35811 
1 1 1    0    6   11 o  785.893   10.252  800.650   20.869  776.582   28.994  826.524   30.062  773.641   14.468  798.122   14.541 -24.48169 20.51273 
1 1 1    0    6   12 o  908.996   11.041  1071.45   25.997  1090.34   37.290  1053.58   36.263  916.406   15.709  900.852   15.540 15.55432 22.09709 
1 1 1    0    6   13 o  459.913   12.530  274.470   14.927   0.0000   0.0000  274.470   14.927  ?   ?   459.913   12.530 0.000000 12.52969 
1 1 1    0    6   14 o  158.727   11.384   32.866   4.6495   36.994   6.5410   28.651   6.6102  168.013   15.194  147.322   17.675 20.69138 23.30802 
1 1 1    0    6   15 o  412.573   9.0086  220.867   9.6274  224.722   13.709  217.115   13.524  415.772   12.729  408.668   12.775 7.104065 18.03417 
1 1 1    0    6   16 o  329.205   9.0962  140.692   7.7567  148.852   11.124  132.967   10.822  338.244   12.696  319.643   13.070 18.60068 18.22134 
1 1 1    0    6   17 f  480.257   9.2252  299.410   11.476  295.781   16.219  303.049   16.241  476.776   13.133  482.622   12.991 -5.845612 18.47282 
1 1 1    0    6   18 o  618.597   11.314  496.907   18.130  477.907   21.858  538.800   32.456  606.248   13.919  642.489   19.502 -36.24109 23.95959 
1 1 1    0    6   19 o  185.235   24.166   45.560   11.319   0.0000   0.0000   45.560   11.319  ?   ?   185.235   24.166 0.000000 24.16648 
1 1 1    0    6   20 o  498.507   13.502  322.513   17.435   0.0000   0.0000  322.513   17.435  ?   ?   498.507   13.502 0.000000 13.50189 
1 1 1    0    6   21 o  496.469   13.578  319.799   17.462   0.0000   0.0000  319.799   17.462  ?   ?   496.469   13.578 0.000000 13.57819 
1 1 1    0    6   22 o  529.794   10.163  363.872   13.947  362.872   20.013  364.816   19.448  528.797   14.610  530.243   14.160 -1.446045 20.34610 
1 1 1    0    6   23 o  375.414   11.520  182.763   11.202  196.411   16.293  170.526   15.427  388.942   16.172  362.393   16.434 26.54913 23.05664 
1 1 1    0    6   24 o  493.519   10.217  315.791   13.061  314.675   18.488  316.903   18.454  492.375   14.496  494.121   14.418 -1.745758 20.44551 
1 1 1    0    6   25 o  735.215   10.778  701.033   20.525  697.077   29.083  704.958   28.971  732.630   15.325  736.779   15.180 -4.148926 21.57075 
1 1 1    0    6   26 o  539.050   10.313  376.867   14.400  381.897   20.341  371.813   20.387  542.266   14.481  535.035   14.711 7.230835 20.64241 
1 1 1    0    6   27 o  939.751   11.791  1146.19   28.703  1146.60   40.701  1145.78   40.483  938.923   16.735  938.608   16.651 0.3156738 23.60743 
1 1 1    0    6   28 o  557.716   20.494  405.800   29.607   0.0000   0.0000  405.800   29.607  ?   ?   557.716   20.494 0.000000 20.49448 
1 1 1    0    6   29 o  224.934   20.112   66.580   11.595   70.650   15.934   62.000   16.904  230.298   27.238  214.546   31.341 15.75159 41.52334 
1 1 1    0    6   30 o  816.600   11.256  866.312   23.809  850.289   33.318  883.033   34.036  807.772   15.924  823.166   15.962 -15.39423 22.54691 
1 1 1    0    6   31 o   75.816   25.370   7.1706   5.8602   9.7930   8.2270   4.4696   8.3494   88.704   30.058   74.844   29.418 13.85978 42.05823 
1 1 1    0    6   32 o  147.029   17.467   28.699   6.5220   31.364   8.8700   25.562   9.6230  152.475   23.189  136.130   28.217 16.34535 36.52277 
1 1 1    0    6   33 o  227.697   13.952   67.996   8.1891   78.298   11.669   57.999   11.495  243.256   18.662  208.348   21.614 34.90858 28.55581 
1 1 1    0    6   34 o  276.064   12.098   99.501   8.6510   90.062   12.750  107.554   11.777  260.461   19.030  285.743   15.975 -25.28229 24.84599 
1 1 1    0    6   35 o  239.930   13.712   75.684   8.4867   79.702   12.456   72.202   11.595  244.283   19.856  232.589   19.423 11.69424 27.77613 
1 1 1    0    6   36 o  161.322   17.939   34.883   7.3691   40.183   11.218   30.861   9.7734  170.244   26.285  148.775   26.324 21.46989 37.20070 
1 1 1    0    6   37 o  282.564   12.629  104.789   9.2432  108.472   13.676  101.692   12.541  284.728   18.647  276.123   17.626 8.605652 25.65864 
1 1 1    0    6   38 o  118.173   37.521   20.860   12.904   0.0000   0.0000   20.860   12.904  ?   ?   118.173   37.521 0.000000 37.52095 
1 1 1    0    6   39 o  199.413   16.611   53.459   8.5023   65.870   15.204   47.813   10.256  214.771   27.996  186.142   21.676 28.62904 35.40639 
1 1 1    0    6   40 o  153.571   20.199   32.634   7.8403   18.406   11.264   46.008   10.920  109.676   35.079  180.590   23.934 -70.91389 42.46646 
1 1 1    0    6   41 o   79.360   28.074   8.5199   7.2098   12.489   10.582   5.0815   9.8496   93.628   33.907   76.107   31.228 17.52027 46.09629 
1 1 1    0    6   42 o  151.426   21.037   32.297   8.0286   46.912   11.793   19.673   10.960  179.343   26.156  111.163   34.478 68.17987 43.27722 
1 1 1    0    6   43 f   52.036   23.757  -3.0673   7.1228  -5.7812   10.530  -0.7779   9.6712   60.167   27.972   64.256   28.650 -4.088657 40.04077 
1 1 1    0    6   44 f  116.519   27.178   20.891   8.0524   16.016   11.347   25.838   11.429   99.041   35.200  124.296   34.354 -25.25531 49.18511 
1 1 1    0    6   45 o   47.573   22.105  -4.0095   6.5618  -0.9578   9.0054  -7.4637   9.5808   60.637   27.294   54.094   25.625 6.542786 37.43777 
1 1 1    0    6   46 o  121.737   45.088   33.160   18.874   0.0000   0.0000   33.160   18.874  ?   ?   121.737   45.088 0.000000 45.08819 
1 1 1    0    6   47 o   71.980   31.468   4.4724   11.133   4.4724   11.133   0.0000   0.0000   71.980   31.468  ?   ?  0.000000 31.46797 
1 1 1    0    6   48 o  140.272   28.558   32.751   10.024   33.946   11.742   29.540   19.245  136.916   33.405  108.785   44.019 28.13129 55.25921 
1 1 1    0    6   49 o  183.782   21.157   51.228   9.8878   40.811   13.913   61.859   14.055  142.202   37.307  190.092   29.500 -47.89011 47.56091 
1 1 1    0    6   50 o   93.919   31.272   17.154   8.9060   30.800   13.282   6.0068   12.004  115.943   38.171   70.837   31.727 45.10645 49.63504 
1 1 1    0    7    1 o  247.087   8.5219   79.108   5.4543   78.886   7.6727   79.336   7.7550  246.682   12.008  247.382   12.102 -0.7001495 17.04834 
1 1 1    0    7    2 o   82.180   14.904   9.0312   3.0557   8.3709   4.2464   9.7404   4.4007   78.845   20.574   84.914   20.285 -6.069199 28.89283 
1 1 1    0    7    3 o  314.353   8.3463  128.043   6.7962  121.773   9.6889  134.116   9.5354  306.480   12.205  321.657   11.444 -15.17700 16.73098 
1 1 1    0    7    4 o  606.824   9.2186  477.190   14.490  483.850   20.659  470.741   20.329  610.870   13.056  602.540   13.025 8.330444 18.44238 
1 1 1    0    7    5 o  1408.11   29.376  2583.00  107.147   0.0000   0.0000  2583.00  107.147  ?   ?   1408.11   29.376 0.000000 29.37602 
1 1 1    0    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7    7 o  420.507   10.012  229.180   10.906  244.200   19.777  222.617   13.073  433.745   17.603  414.371   12.180 19.37369 21.40574 
1 1 1    0    7    8 o  386.469   10.045  193.586   10.055  246.800   19.135  173.284   11.819  436.063   16.940  365.568   12.481 70.49548 21.04173 
1 1 1    0    7    9 o  557.354   9.0297  402.591   13.036  406.312   18.462  398.891   18.410  559.745   12.734  554.605   12.815 5.139893 18.06564 
1 1 1    0    7   10 o  678.150   9.6547  596.106   16.960  607.271   24.244  585.407   23.733  684.193   13.680  671.767   13.639 12.42621 19.31723 
1 1 1    0    7   11 o  214.256   9.7811   59.510   5.4284   58.987   7.5334   60.075   7.8290  212.775   13.742  214.697   14.157 -1.921982 19.72981 
1 1 1    0    7   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   13 o  245.257   9.6062   78.011   6.1027   83.880   8.7608   72.478   8.5059  253.804   13.373  235.810   13.988 17.99442 19.35199 
1 1 1    0    7   14 o  878.254   10.920  1001.44   24.842  1009.61   35.363  993.479   34.904  880.737   15.501  873.694   15.423 7.042358 21.86639 
1 1 1    0    7   15 o  526.742   9.2298  360.180   12.593  363.580   17.989  356.913   17.635  528.597   13.138  523.753   12.999 4.843445 18.48195 
1 1 1    0    7   16 o  279.032   9.5536  101.105   6.9051  106.140   10.074   96.644   9.4832  285.506   13.622  272.456   13.437 13.05051 19.13425 
1 1 1    0    7   17 o  300.095   9.6510  116.905   7.5021  127.486   10.713  106.722   10.509  313.069   13.210  286.350   14.168 26.71954 19.37153 
1 1 1    0    7   18 o  336.708   19.364  148.300   16.818   0.0000   0.0000  148.300   16.818  ?   ?   336.708   19.364 0.000000 19.36389 
1 1 1    0    7   19 o  156.204   15.329   32.000   6.1223   41.479   7.7107   15.830   10.071  177.829   16.944  109.290   32.888 68.53939 36.99652 
1 1 1    0    7   20 o  711.398   10.229  656.173   18.850  677.235   27.188  636.679   26.156  722.325   14.531  700.375   14.418 21.95020 20.47001 
1 1 1    0    7   21 o  579.308   9.8769  435.052   14.821  437.686   21.361  432.608   20.581  580.772   14.199  577.426   13.760 3.345581 19.77280 
1 1 1    0    7   22 f  1099.92   12.870  1569.34   36.667  1580.25   52.451  1558.92   51.279  1102.85   18.361  1095.44   18.072 7.416504 25.76237 
1 1 1    0    7   23 o  602.686   14.684  471.443   22.924   0.0000   0.0000  471.443   22.924  ?   ?   602.686   14.684 0.000000 14.68429 
1 1 1    0    7   24 o   74.014   26.544   6.0386   6.4664   2.8740   9.2541   9.0581   9.0393   74.830   30.436   89.015   31.441 -14.18443 43.75917 
1 1 1    0    7   25 o  720.018   10.639  672.380   19.842  662.995   27.841  682.068   28.287  714.476   15.043  724.677   15.069 -10.20087 21.29266 
1 1 1    0    7   26 o  1006.30   12.238  1314.28   31.901  1313.53   45.447  1315.02   44.790  1004.92   17.459  1005.56   17.196 -0.6345215 24.50535 
1 1 1    0    7   27 o  551.725   10.340  394.920   14.777  399.436   21.676  390.999   20.197  554.335   15.096  548.562   14.214 5.772949 20.73434 
1 1 1    0    7   28 o  381.131   21.338  190.300   20.981   0.0000   0.0000  190.300   20.981  ?   ?   381.131   21.338 0.000000 21.33779 
1 1 1    0    7   29 o  288.360   14.997  108.509   11.163  117.810   13.932   91.830   18.657  300.014   18.011  262.673   27.845 37.34091 33.16294 
1 1 1    0    7   30 o  544.974   10.670  385.799   15.063  373.496   21.414  397.850   21.192  535.346   15.442  552.662   14.804 -17.31653 21.39163 
1 1 1    0    7   31 o  157.935   17.969   33.047   7.2202   31.794   10.822   34.053   9.6931  152.419   28.457  158.930   24.319 -6.510712 37.43238 
1 1 1    0    7   32 o  253.432   12.014   83.666   7.8865   77.677   11.097   89.779   11.210  242.740   17.772  261.325   16.648 -18.58522 24.35141 
1 1 1    0    7   33 o  229.019   14.091   68.843   8.3187   77.608   11.835   60.285   11.695  241.940   19.039  212.321   21.563 29.61829 28.76573 
1 1 1    0    7   34 o  158.337   18.090   33.491   7.2863   38.035   10.798   29.693   9.8727  166.419   25.891  146.266   27.055 20.15306 37.44691 
1 1 1    0    7   35 f  497.798   10.620  323.353   13.694  303.625   19.731  341.689   19.021  480.175   15.863  510.128   14.395 -29.95319 21.42094 
1 1 1    0    7   36 f  408.053   11.247  217.729   11.888  200.048   16.901  235.045   16.725  388.867   16.779  422.262   15.291 -33.39551 22.70132 
1 1 1    0    7   37 o   61.160   27.545  -3.3943   9.1867  -3.4290   12.325  -3.3510   13.781   71.444   32.063   75.724   33.950 -4.280098 46.69713 
1 1 1    0    7   38 o   78.739   30.744   6.3772   9.0691   13.140   12.640  -0.7991   13.020   99.830   36.912   76.312   33.674 23.51772 49.96485 
1 1 1    0    7   39 o  115.873   24.902   19.283   7.2518   21.079   11.000   17.902   9.6446  117.644   34.110  109.349   32.007 8.294342 46.77547 
1 1 1    0    7   40 o  291.976   12.398  112.740   9.3763  126.441   14.122  101.939   12.539  305.329   17.935  274.187   17.750 31.14215 25.23325 
1 1 1    0    7   41 o   59.380   25.556   0.7563   7.1083   8.5306   10.033  -7.0794   10.073   83.515   32.412   57.890   27.061 25.62461 42.22391 
1 1 1    0    7   42 o  125.538   24.078   22.961   7.5448   28.165   11.525   19.058   9.9807  133.055   33.470  109.846   32.669 23.20839 46.77091 
1 1 1    0    7   43 o  192.402   17.821   51.183   8.7806   62.593   13.109   41.898   11.825  206.981   24.954  166.156   28.501 40.82498 37.88191 
1 1 1    0    7   44 o  126.418   25.708   24.218   8.1315   18.985   12.144   28.471   10.948  105.251   36.492  131.977   32.290 -26.72606 48.72670 
1 1 1    0    7   45 o   65.167   27.950   2.7579   8.4502   2.1134   12.095   3.3725   11.811   72.157   32.116   73.404   32.243 -1.247589 45.50910 
1 1 1    0    7   46 o  105.105   41.886   22.810   17.144   0.0000   0.0000   22.810   17.144  ?   ?   105.105   41.886 0.000000 41.88587 
1 1 1    0    7   47 o  210.304   19.481   64.290   10.492   76.564   14.799   51.886   14.878  220.008   26.501  169.927   34.966 50.08116 43.87423 
1 1 1    0    7   48 o  127.316   32.423   29.301   10.722   31.495   13.525   25.590   17.589  123.367   38.306  103.613   42.028 19.75459 56.86567 
1 1 1    0    7   49 o  166.391   28.112   46.856   11.685   43.525   14.200   53.840   20.562  146.206   37.358  139.035   47.516 7.171265 60.44337 
1 1 1    0    8    0 o  1064.31   17.015  1468.53   46.908  1531.00   68.710  1414.00   64.195  1086.14   24.422  1043.87   23.741 42.26819 34.06015 
1 1 1    0    8    1 o   77.513   18.334   8.1141   3.6235   3.7300   6.6943   9.9308   4.3093   68.116   26.465   85.745   19.802 -17.62901 33.05276 
1 1 1    0    8    2 o  453.066   12.223  266.127   14.344   0.0000   0.0000  266.127   14.344  ?   ?   453.066   12.223 0.000000 12.22263 
1 1 1    0    8    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8    4 o  280.701   18.010  102.700   13.026  102.700   13.026   0.0000   0.0000  280.701   18.010  ?   ?  0.000000 18.00994 
1 1 1    0    8    5 o  501.744   10.289  326.297   13.372  331.186   16.457  316.800   22.939  505.394   12.571  494.006   17.926 11.38770 21.89494 
1 1 1    0    8    6 o  949.148   11.362  1167.89   27.935  1158.28   39.296  1177.71   39.719  944.786   16.057  952.671   16.096 -7.885132 22.73545 
1 1 1    0    8    7 o  550.165   9.2454  392.277   13.176  393.456   18.829  391.146   18.443  550.803   13.197  549.197   12.964 1.605957 18.49976 
1 1 1    0    8    8 o  572.935   9.2395  425.437   13.712  423.000   27.718  426.227   15.778  570.669   18.751  573.402   10.623 -2.732971 21.55129 
1 1 1    0    8    9 o  445.750   10.268  257.579   11.856  301.800   22.185  239.902   14.027  482.048   17.767  430.081   12.591 51.96646 21.77615 
1 1 1    0    8   10 o  416.578   8.7085  224.926   9.3970  223.922   13.370  225.905   13.210  415.487   12.423  417.332   12.220 -1.845581 17.42594 
1 1 1    0    8   11 o  180.400   10.042   42.329   4.6740   42.125   6.8364   42.509   6.4048  179.510   14.835  180.442   13.808 -0.9322205 20.26691 
1 1 1    0    8   12 o  410.003   8.9882  217.971   9.5458  223.849   13.664  212.367   13.341  415.255   12.704  404.464   12.734 10.79150 17.98692 
1 1 1    0    8   13 o  423.129   8.9943  232.245   9.8581  242.598   14.343  222.976   13.572  432.110   12.814  414.283   12.647 17.82642 18.00426 
1 1 1    0    8   14 o  395.453   9.1286  202.979   9.3508  211.410   13.428  195.042   13.029  403.152   12.859  387.215   12.990 15.93793 18.27801 
1 1 1    0    8   15 o  219.627   10.667   62.683   6.0686   65.287   8.6899   60.204   8.4787  223.265   15.115  214.314   15.375 8.950562 21.56069 
1 1 1    0    8   16 o  587.737   9.5853  448.505   14.593  452.305   20.879  444.876   20.404  589.464   13.674  584.646   13.474 4.818054 19.19671 
1 1 1    0    8   17 o  565.799   14.090  416.294   20.650  420.200   29.831  412.700   28.614  567.216   20.303  562.281   19.646 4.935364 28.25205 
1 1 1    0    8   18 o  155.851   18.727   32.072   7.4087   32.390   10.812   31.790   10.173  154.935   27.969  153.745   26.500 1.189545 38.52955 
1 1 1    0    8   19 o  395.533   9.6170  202.838   9.8531  199.014   14.000  206.591   13.869  391.565   13.803  398.973   13.420 -7.407837 19.25187 
1 1 1    0    8   20 o  1232.24   13.544  1970.19   43.231  1968.22   61.288  1972.13   60.989  1230.48   19.229  1231.73   19.116 -1.247803 27.11353 
1 1 1    0    8   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   22 o  1360.49   20.949  2407.43   73.827  2407.43   73.827   0.0000   0.0000  1360.49   20.949  ?   ?  0.000000 20.94932 
1 1 1    0    8   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   24 o  275.918   11.351   98.750   8.1124   95.857   11.234  101.902   11.727  271.168   16.066  279.595   16.262 -8.427032 22.85960 
1 1 1    0    8   25 o  537.921   10.246  375.284   14.277  385.586   20.962  366.371   19.499  544.837   14.853  531.158   14.172 13.67932 20.52957 
1 1 1    0    8   26 o  865.865   11.365  972.886   25.490  954.132   35.763  992.252   36.341  856.641   16.117  873.598   16.060 -16.95679 22.75240 
1 1 1    0    8   27 o  195.227   18.977   50.129   9.4752   63.949   12.247   29.520   14.955  220.266   21.749  146.480   38.799 73.78568 44.47858 
1 1 1    0    8   28 o  340.673   23.693  152.700   20.778   0.0000   0.0000  152.700   20.778  ?   ?   340.673   23.693 0.000000 23.69312 
1 1 1    0    8   29 o  419.010   10.926  228.028   11.859  249.413   16.811  206.844   16.731  437.702   14.827  398.402   16.213 39.30017 21.97046 
1 1 1    0    8   30 o  539.408   10.766  378.078   15.042  387.244   21.683  369.574   20.885  544.983   15.360  532.453   15.143 12.52954 21.56945 
1 1 1    0    8   31 f  149.497   20.549   29.898   7.7469   28.870   11.219   30.835   10.710  144.318   30.941  149.835   28.639 -5.516891 42.16096 
1 1 1    0    8   32 o   45.672   21.209  -5.1355   6.0258  -7.8346   8.2956  -2.1205   8.7677   52.391   24.512   62.692   27.650 -10.30043 36.95094 
1 1 1    0    8   33 o  193.384   15.470   49.348   7.6844   64.458   10.998   34.938   10.741  220.081   19.495  159.250   27.003 60.83092 33.30468 
1 1 1    0    8   34 o  183.158   17.257   44.617   8.0910   44.584   11.728   44.646   11.177  180.247   25.860  180.889   24.482 -0.6411438 35.61065 
1 1 1    0    8   35 o  428.019   10.936  239.268   12.124  231.286   17.914  246.015   16.469  418.584   16.522  432.558   14.699 -13.97369 22.11425 
1 1 1    0    8   36 o   89.913   28.188   11.168   7.3040  -3.0880   12.034   19.483   9.1905   71.307   31.865  116.298   30.229 -44.99026 43.92218 
1 1 1    0    8   37 o  477.578   22.831  309.800   28.244   0.0000   0.0000  309.800   28.244  ?   ?   477.578   22.831 0.000000 22.83112 
1 1 1    0    8   38 o  134.277   22.795   25.240   7.6449   22.596   10.375   28.380   11.308  123.023   32.187  138.039   32.213 -15.01539 45.53791 
1 1 1    0    8   39 o  133.013   20.922   24.663   6.9706   29.351   9.5947   19.423   10.144  142.285   27.021  113.126   32.743 29.15906 42.45314 
1 1 1    0    8   40 o  158.675   17.282   34.352   6.9884   34.158   9.2907   34.606   10.606  154.782   23.946  153.561   27.681 1.220764 36.60098 
1 1 1    0    8   41 o   80.221   25.762   9.2330   6.0703   16.192   8.2427   0.9860   8.9732  103.141   29.414   65.720   28.497 37.42122 40.95421 
1 1 1    0    8   42 o   57.838   24.725   1.1350   6.5731   6.9237   8.6569  -6.7460   10.101   76.551   29.996   57.832   27.055 18.71889 40.39481 
1 1 1    0    8   43 o   55.410   24.045   0.4694   6.3985  -1.9191   8.6266   3.3905   9.5399   58.897   26.593   70.374   29.927 -11.47635 40.03539 
1 1 1    0    8   44 o  124.372   24.061   23.171   7.4712   22.891   9.8233   23.554   11.507  117.997   31.535  116.677   35.164 1.320160 47.23364 
1 1 1    0    8   45 o  122.219   24.814   22.928   7.5875   16.144   10.238   31.196   11.302   96.887   33.510  135.708   32.565 -38.82139 46.72754 
1 1 1    0    8   46 o  137.468   37.527   35.792   13.737   0.0000   0.0000   35.792   13.737  ?   ?   137.468   37.527 0.000000 37.52720 
1 1 1    0    8   47 o   68.961   27.344   6.4381   7.2724   9.0740   9.5462   2.7927   11.226   77.480   31.125   68.928   30.791 8.551750 43.78163 
1 1 1    0    8   48 o  122.316   27.355   24.997   8.4497   31.122   10.906   15.798   13.365  130.815   32.363   89.551   36.518 41.26388 48.79430 
1 1 1    0    8   49 o   95.922   31.466   17.624   9.0290   11.657   10.265   38.030   18.981   80.033   32.231  114.757   44.569 -34.72413 55.00229 
1 1 1    0    9    1 o  1894.41   21.555  4663.80  105.772  4551.85  126.137  4929.00  194.139  1870.08   26.039  1940.28   38.627 -70.20032 46.58469 
1 1 1    0    9    2 o  1185.35   12.978  1822.02   39.849  1803.34   55.857  1841.39   56.867  1178.54   18.297  1190.89   18.435 -12.34558 25.97378 
1 1 1    0    9    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9    4 o  617.144   9.3931  493.611   15.016  490.900   21.189  496.347   21.282  615.239   13.296  618.645   13.281 -3.405212 18.79260 
1 1 1    0    9    5 o  205.871   10.403   55.079   5.5295   61.213   7.8222   48.953   7.8177  216.784   14.005  193.591   15.726 23.19295 21.05801 
1 1 1    0    9    6 o  276.683   9.4306   99.221   6.7588  100.740   9.5094   97.670   9.6083  278.696   13.173  274.408   13.518 4.288635 18.87436 
1 1 1    0    9    7 f  358.187   8.9821  166.281   8.3337  163.973   11.976  168.448   11.604  355.556   13.004  360.397   12.430 -4.841644 17.98883 
1 1 1    0    9    8 o  784.012   10.436  796.913   21.194  807.361   30.377  787.004   29.584  788.719   14.869  778.734   14.666 9.985107 20.88500 
1 1 1    0    9    9 o  345.651   9.1936  154.874   8.2314  155.800   17.000  154.590   9.4078  345.663   19.060  345.288   10.519 0.3755493 21.76952 
1 1 1    0    9   10 o  469.538   9.1183  285.823   11.090  306.400   23.134  279.683   12.637  485.401   18.400  464.392   10.505 21.00891 21.18724 
1 1 1    0    9   11 o  533.403   10.618  369.103   14.671  387.900   26.732  361.003   17.549  545.838   18.907  527.315   12.848 18.52362 22.85939 
1 1 1    0    9   12 o  672.405   9.8080  586.662   17.083  582.061   24.043  591.353   24.276  669.142   13.872  674.458   13.895 -5.315735 19.63418 
1 1 1    0    9   13 o  644.579   9.6010  539.382   16.030  532.502   22.632  546.309   22.709  639.685   13.658  647.953   13.530 -8.268555 19.22558 
1 1 1    0    9   14 o  613.902   9.6461  489.468   15.339  504.088   22.034  475.721   21.367  622.133   13.673  604.381   13.648 17.75226 19.31909 
1 1 1    0    9   15 o  351.724   9.6492  160.650   8.7911  168.219   12.800  153.892   12.095  359.422   13.749  343.797   13.582 15.62427 19.32565 
1 1 1    0    9   16 o  329.381   11.135  140.913   9.5004  137.627   11.247  149.100   17.751  325.316   13.347  337.084   20.427 -11.76758 24.40052 
1 1 1    0    9   17 o  692.630   19.781  625.500   35.489   0.0000   0.0000  625.500   35.489  ?   ?   692.630   19.781 0.000000 19.78063 
1 1 1    0    9   18 o  336.613   10.017  146.939   8.7343  148.761   12.547  145.226   12.166  338.469   14.311  334.439   14.044 4.029449 20.05088 
1 1 1    0    9   19 o  484.178   9.6391  303.920   12.089  303.777   17.288  304.056   16.911  483.814   13.795  484.058   13.487 -0.2443237 19.29268 
1 1 1    0    9   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   21 f   62.467   25.478   1.8576   6.5073   3.8723   10.593   0.6366   8.2466   81.219   32.731   66.632   28.054 14.58692 43.10827 
1 1 1    0    9   22 o  1047.13   17.593  1424.61   47.718   0.0000   0.0000  1424.61   47.718  ?   ?   1047.13   17.593 0.000000 17.59263 
1 1 1    0    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   24 o  266.344   12.652   92.063   8.7288   90.837   12.360   93.284   12.329  263.659   18.209  267.239   17.915 -3.579590 25.54404 
1 1 1    0    9   25 o  524.066   10.457  356.262   14.196  354.048   19.957  358.530   20.196  522.032   14.758  525.316   14.842 -3.284607 20.93105 
1 1 1    0    9   26 o  766.431   11.074  762.307   21.985  756.081   31.065  768.555   31.120  762.524   15.728  768.808   15.627 -6.284058 22.17097 
1 1 1    0    9   27 o   78.461   33.199   0.7878   11.642 -12.7300   17.232   12.140   15.792   78.897   36.364  109.311   41.092 -30.41373 54.87192 
1 1 1    0    9   28 o  182.864   22.883   44.458   10.602   33.910   14.435   56.810   15.621  156.584   36.298  205.340   30.277 -48.75600 47.26776 
1 1 1    0    9   29 o  460.932   10.698  275.978   12.772  268.093   17.758  284.430   18.384  453.634   15.112  467.237   15.190 -13.60297 21.42696 
1 1 1    0    9   30 o  390.907   11.402  198.716   11.545  195.761   16.255  201.724   16.400  387.189   16.207  393.061   16.108 -5.872223 22.85057 
1 1 1    0    9   31 o  163.468   19.415   35.587   8.0601   33.947   11.420   37.214   11.377  157.027   29.150  165.052   27.585 -8.024918 40.13329 
1 1 1    0    9   32 o  341.635   11.165  152.065   9.8800  147.156   14.011  156.920   13.935  334.993   16.146  346.085   15.544 -11.09155 22.41244 
1 1 1    0    9   33 o  235.330   13.391   72.688   8.1293   58.708   11.648   85.966   11.351  209.035   21.834  254.906   17.294 -45.87050 27.85277 
1 1 1    0    9   34 o  270.619   13.426   95.977   9.4116   94.095   13.784   97.622   12.882  265.282   20.211  270.928   18.466 -5.646057 27.37689 
1 1 1    0    9   35 o  425.555   12.461  237.277   13.736  220.400   22.556  247.225   17.318  404.999   21.579  433.054   15.438 -28.05493 26.53254 
1 1 1    0    9   36 o   37.217   18.279 -11.9645   6.0876  -7.2450   9.6872 -15.0447   7.8259   57.839   26.869   42.292   20.762 15.54702 33.95621 
1 1 1    0    9   37 o   41.162   20.503 -21.0865   8.7007   0.0000   0.0000 -21.0865   8.7007  ?   ?    41.162   20.503 0.000000 20.50307 
1 1 1    0    9   38 o  103.457   26.353   15.530   7.0817   15.819   9.4448   15.159   10.703  103.501   31.990  102.034   34.285 1.466927 46.89138 
1 1 1    0    9   39 f  230.552   14.065   70.915   8.3594   69.997   12.310   71.701   11.387  224.826   21.397  228.875   19.390 -4.049057 28.87526 
1 1 1    0    9   40 o   98.671   27.130   14.490   7.1498   15.182   10.369   13.863   9.8718  100.072   33.746   96.446   32.924 3.625870 47.14616 
1 1 1    0    9   41 o   83.151   28.613   9.8915   7.4593   6.4693   10.776   13.039   10.336   79.968   32.721   93.787   33.566 -13.81860 46.87604 
1 1 1    0    9   42 o  124.736   25.145   23.089   7.8439   25.384   12.065   21.408   10.323  123.522   35.697  115.202   32.940 8.320015 48.57283 
1 1 1    0    9   43 o   87.682   29.863   11.805   8.1211   8.7551   11.929   14.439   11.087   84.082   34.418   95.166   34.669 -11.08373 48.85213 
1 1 1    0    9   44 o   61.004   26.284   1.7827   7.5361   3.6224   11.860   0.5369   9.7596   74.152   32.447   64.896   28.869 9.256218 43.43077 
1 1 1    0    9   45 o  107.595   33.163   20.354   10.158   16.003   12.888   27.490   16.505   94.939   36.766  114.422   42.206 -19.48291 55.97420 
1 1 1    0    9   46 o  120.222   34.937   26.827   11.528   42.400   17.867   15.720   15.089  137.466   44.203   92.418   38.356 45.04813 58.52459 
1 1 1    0    9   47 f  116.569   29.846   23.520   9.0507   17.219   13.288   28.974   12.362   93.356   36.979  121.247   36.426 -27.89034 51.90647 
1 1 1    0    9   48 o  155.523   25.192   38.964   9.8016   45.626   14.097   32.730   13.637  152.870   36.167  123.342   38.492 29.52752 52.81731 
1 1 1    0    9   49 o  199.452   19.635   60.097   10.013   55.742   14.523   64.042   13.823  169.942   34.176  191.696   28.722 -21.75401 44.64242 
1 1 1    0   10    0 o  2305.45   31.344  6911.12  187.179  6964.00  266.986  6860.00  262.494  2309.58   44.628  2292.45   44.205 17.13843 62.81485 
1 1 1    0   10    1 o  2371.67   22.744  7315.49  139.724  7227.88  194.916  7408.08  200.398  2352.64   31.985  2381.47   32.486 -28.83740 45.58915 
1 1 1    0   10    2 o  1664.66   16.767  3597.24   72.298  3597.22  102.193  3597.26  102.296  1662.74   23.727  1662.74   23.751 -0.1586914E-02 33.57211 
1 1 1    0   10    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    4 o  976.225   11.547  1235.71   29.198  1235.32   41.322  1236.11   41.263  975.507   16.353  975.823   16.324 -0.3156738 23.10651 
1 1 1    0   10    5 o  434.732   9.0825  244.954   10.228  242.789   14.529  247.080   14.400  432.641   12.965  436.459   12.737 -3.817810 18.17461 
1 1 1    0   10    6 o  814.144   10.616  859.384   22.389  876.613   32.085  843.033   31.256  821.818   15.072  805.935   14.972 15.88287 21.24467 
1 1 1    0   10    7 o  266.569   9.8869   92.124   6.8269   88.245   9.5479   96.182   9.7650  260.372   14.211  271.889   13.912 -11.51746 19.88673 
1 1 1    0   10    8 o  286.987   9.9603  106.791   7.4044  107.151   10.571  106.445   10.374  287.303   14.205  286.365   13.986 0.9375000 19.93432 
1 1 1    0   10    9 o  331.123   9.5696  142.173   8.2080  131.924   11.355  153.387   11.878  318.763   13.752  343.742   13.340 -24.97852 19.15952 
1 1 1    0   10   10 f  290.669   9.5713  109.584   7.2064  127.900   16.280  105.120   8.0367  312.600   20.213  284.626   10.901 27.97324 22.96511 
1 1 1    0   10   11 o  696.670   11.505  630.309   20.762  643.200   36.694  624.238   25.181  701.783   20.186  692.849   14.031 8.934265 24.58300 
1 1 1    0   10   12 o   74.831   23.080   7.3466   4.9194  -3.3660   11.487   9.7528   5.4439   71.162   31.504   84.946   23.793 -13.78373 39.47895 
1 1 1    0   10   13 f  696.832   10.019  630.816   18.085  640.843   25.845  621.197   25.315  701.263   14.228  690.452   14.154 10.81079 20.06948 
1 1 1    0   10   14 o  902.479   11.243  1058.82   26.282  1065.31   37.369  1052.47   36.970  903.524   15.967  898.094   15.892 5.430115 22.52786 
1 1 1    0   10   15 o  164.578   16.883   35.687   7.0955   34.512   8.5082   38.370   12.858  161.084   20.882  167.733   30.727 -6.648972 37.15152 
1 1 1    0   10   16 o  342.968   20.684  154.100   18.290   0.0000   0.0000  154.100   18.290  ?   ?   342.968   20.684 0.000000 20.68427 
1 1 1    0   10   17 o  1067.63   14.325  1480.46   39.615  1526.58   49.918  1402.00   65.111  1083.29   17.789  1036.19   24.258 47.09497 30.08207 
1 1 1    0   10   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   19 o  819.361   10.932  870.564   23.202  879.708   33.122  861.754   32.512  823.142   15.535  814.715   15.406 8.426392 21.87837 
1 1 1    0   10   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   21 o  847.618   11.489  931.760   25.224  931.393   35.667  932.127   35.677  846.881   16.259  847.215   16.257 -0.3338623 22.99255 
1 1 1    0   10   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   23 o  455.374   10.203  268.914   12.035  250.055   17.299  286.605   16.754  438.772   15.221  469.867   13.766 -31.09546 20.52229 
1 1 1    0   10   24 o  256.380   13.194   85.561   8.7326   81.719   12.459   89.270   12.243  249.798   19.408  261.316   18.201 -11.51819 26.60695 
1 1 1    0   10   25 o  345.300   11.668  154.751   10.437  173.067   15.024  137.671   14.508  364.833   15.898  324.821   17.306 40.01187 23.49988 
1 1 1    0   10   26 o  384.572   12.939  192.117   12.889  191.443   15.391  193.700   23.581  383.651   15.488  384.078   23.820 -0.4275208 28.41262 
1 1 1    0   10   27 o  280.534   19.126  103.155   13.815   0.0000   0.0000  103.155   13.815  ?   ?   280.534   19.126 0.000000 19.12580 
1 1 1    0   10   28 o  106.995   27.153   15.664   7.5379   21.992   10.261   8.2454   11.110  126.385   31.466   91.166   34.424 35.21882 46.63834 
1 1 1    0   10   29 o  380.170   11.249  187.866   11.077  187.217   15.506  188.543   15.830  378.847   15.802  380.139   16.076 -1.292206 22.54181 
1 1 1    0   10   30 o  323.276   11.878  136.023   9.9461  149.775   13.962  121.856   14.172  338.559   15.921  304.482   18.049 34.07718 24.06773 
1 1 1    0   10   31 o  130.329   24.032   23.214   7.8141   26.541   11.172   20.028   10.934  137.544   31.965  119.666   33.790 17.87788 46.51389 
1 1 1    0   10   32 o  450.205   10.883  264.146   12.691  261.418   17.776  266.983   18.125  446.499   15.369  451.175   15.509 -4.676178 21.83468 
1 1 1    0   10   33 o  394.468   16.068  204.764   16.418  204.764   16.418   0.0000   0.0000  394.468   16.068  ?   ?  0.000000 16.06834 
1 1 1    0   10   34 o  397.887   11.926  207.102   12.292  198.000   21.429  211.564   15.005  384.151   21.624  401.223   14.438 -17.07162 26.00071 
1 1 1    0   10   35 o   63.060   26.453   1.4682   7.2897   1.3650   10.872   1.5524   9.8254   74.535   31.829   71.708   30.429 2.827515 44.03399 
1 1 1    0   10   36 o  199.754   17.570   53.529   8.9987   50.815   10.383   61.720   18.037  193.128   21.099  204.836   35.266 -11.70789 41.09616 
1 1 1    0   10   37 o  190.505   20.378   49.586   9.9000   48.030   13.961   51.160   14.041  181.736   30.755  188.292   29.778 -6.555557 42.80834 
1 1 1    0   10   38 o   61.419   25.323   2.3685   6.5156   0.9682   9.8669   3.4512   8.6764   69.328   29.972   70.549   29.167 -1.220634 41.82103 
1 1 1    0   10   39 o   85.735   28.458   10.499   7.3774   7.3681   10.392   13.679   10.474   82.057   32.640   96.690   33.870 -14.63288 47.03738 
1 1 1    0   10   40 o  274.983   13.226  100.672   9.4207  101.934   13.697   99.539   12.978  271.754   19.590  269.242   18.725 2.511230 27.09914 
1 1 1    0   10   41 o  107.618   25.608   17.291   7.0351   19.647   10.317   15.243   9.6182  110.811   33.273   98.920   32.478 11.89080 46.49651 
1 1 1    0   10   42 o   49.135   22.685  -3.8275   6.7473   0.9735   8.5598 -11.7059   10.965   63.485   27.678   55.085   26.454 8.400326 38.28682 
1 1 1    0   10   43 o   94.907   26.872   14.014   6.9052   11.088   9.5683   17.195   9.9753   85.893   32.045  101.723   33.060 -15.82977 46.04168 
1 1 1    0   10   44 o  137.185   22.080   27.821   7.5800   34.933   10.060   18.478   11.530  149.792   26.916  101.973   35.545 47.81891 44.58599 
1 1 1    0   10   45 o  119.576   37.357   27.454   12.841   22.260   17.610   33.350   18.763  103.164   41.976  120.003   44.854 -16.83870 61.43199 
1 1 1    0   10   46 o   39.889   19.993 -20.8201   8.8633 -30.3744   10.567   1.8510   16.278   40.308   20.404   75.368   34.949 -35.06014 40.46932 
1 1 1    0   10   47 o  102.407   30.760   18.910   8.8159   26.627   11.746   8.9550   13.341  115.906   35.650   78.999   34.495 36.90669 49.60662 
1 1 1    0   10   48 o   39.790   19.749 -14.4571   7.7881 -14.8512   11.184 -14.0860   10.852   49.665   24.468   49.337   24.267 0.3280334 34.46064 
1 1 1    0   10   49 o   74.625   29.805   9.9249   8.6988   14.860   11.831   4.1180   12.834   83.658   34.264   68.483   31.497 15.17561 46.54107 
1 1 1    0   11    1 o  1023.78   11.894  1359.29   31.543  1369.40   44.879  1349.42   44.342  1026.89   16.872  1019.38   16.793 7.503906 23.80495 
1 1 1    0   11    2 o  556.639   9.3298  401.632   13.452  409.259   19.206  394.287   18.847  561.666   13.201  551.297   13.198 10.36963 18.66736 
1 1 1    0   11    3 o  401.708   8.9580  209.163   9.3212  207.651   13.129  210.700   13.236  400.096   12.668  403.022   12.679 -2.925873 17.92313 
1 1 1    0   11    4 o  716.355   10.025  665.308   18.602  661.466   26.165  669.236   26.450  713.920   14.149  718.093   14.220 -4.173523 20.05996 
1 1 1    0   11    5 o  138.377   19.171   25.367   6.6869   25.367   6.6869   0.0000   0.0000  138.377   19.171  ?   ?  0.000000 19.17053 
1 1 1    0   11    6 o  429.509   9.2724  239.167   10.316  233.649   14.495  244.831   14.685  424.306   13.188  434.351   13.052 -10.04425 18.55517 
1 1 1    0   11    7 o  249.164   10.764   80.528   6.9470   80.061   9.9141   80.978   9.7375  247.758   15.527  249.219   15.156 -1.460785 21.69737 
1 1 1    0   11    8 o  451.394   9.5047  264.255   11.113  258.201   15.747  270.263   15.686  445.873   13.635  456.202   13.274 -10.32892 19.02912 
1 1 1    0   11    9 o   68.696   23.954   5.5098   5.2362   10.086   7.7165   1.6042   7.1287   89.133   29.082   64.152   26.473 24.98110 39.32657 
1 1 1    0   11   10 o  272.475   12.443   96.501   8.7824  113.900   16.166   89.217   10.461  294.246   21.356  261.275   15.526 32.97144 26.40338 
1 1 1    0   11   11 o  334.831   9.6949  145.591   8.4085  149.800   16.718  144.166   9.7286  337.794   19.186  333.031   11.278 4.762939 22.25504 
1 1 1    0   11   12 o  216.719   11.735   61.269   6.5629   74.770   15.412   58.279   7.2534  236.566   25.557  211.124   13.332 25.44189 28.82548 
1 1 1    0   11   13 o  647.819   11.616  545.742   19.492  515.800   33.973  560.435   23.799  626.961   20.919  655.880   14.008 -28.91901 25.17594 
1 1 1    0   11   14 o  669.229   14.565  583.132   25.249  575.300   36.394  590.400   35.057  662.768   21.199  671.771   20.147 -9.002930 29.24559 
1 1 1    0   11   15 o  236.856   24.959   74.320   15.082   0.0000   0.0000   74.320   15.082  ?   ?   236.856   24.959 0.000000 24.95878 
1 1 1    0   11   16 o  101.563   21.134   13.943   5.3789   7.0424   6.9458   24.280   8.5015   78.268   27.570  134.127   25.400 -55.85876 37.48624 
1 1 1    0   11   17 o  705.206   10.292  644.909   18.801  662.174   27.261  629.246   25.964  714.112   14.737  696.171   14.398 17.94104 20.60346 
1 1 1    0   11   18 o  468.711   9.5509  284.807   11.596  285.583   16.252  284.003   16.550  469.131   13.374  467.812   13.658 1.319336 19.11522 
1 1 1    0   11   19 o  765.651   15.602  761.127   30.944  761.127   30.944   0.0000   0.0000  765.651   15.602  ?   ?  0.000000 15.60247 
1 1 1    0   11   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   21 o  712.795   10.825  658.884   19.986  656.470   28.801  661.127   27.758  710.991   15.639  713.583   15.017 -2.591980 21.68140 
1 1 1    0   11   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   23 o  368.335   10.931  175.997   10.429  170.385   15.188  181.004   14.346  362.066   16.195  373.284   14.837 -11.21817 21.96375 
1 1 1    0   11   24 o  567.534   10.410  417.848   15.303  422.031   21.933  413.879   21.362  569.883   14.858  564.384   14.612 5.499573 20.83927 
1 1 1    0   11   25 o  821.355   11.268  875.644   23.974  898.341   34.468  854.372   33.368  831.013   16.013  810.446   15.895 20.56610 22.56208 
1 1 1    0   11   26 f   88.415   35.716   4.8007   12.646 -15.5500   20.476   17.350   16.079   85.359   39.446  119.865   41.965 -34.50527 57.59443 
1 1 1    0   11   27 o  575.494   14.369  430.953   21.419  443.200   30.542  419.100   30.047  582.277   20.250  566.162   20.489 16.11450 28.80687 
1 1 1    0   11   28 o  200.625   16.185   52.830   8.3395   51.613   12.272   53.874   11.368  196.573   24.643  201.467   22.149 -4.894028 33.13356 
1 1 1    0   11   29 o  211.417   15.222   58.618   8.2801   68.696   12.134   49.835   11.327  227.813   20.791  193.198   23.093 34.61531 31.07301 
1 1 1    0   11   30 o  561.794   10.718  410.637   15.597  400.308   22.189  420.723   21.928  553.316   15.482  567.441   14.918 -14.12537 21.49982 
1 1 1    0   11   31 o  455.198   11.071  269.966   13.053  268.437   18.883  271.366   18.064  452.405   16.114  455.139   15.322 -2.734222 22.23589 
1 1 1    0   11   32 o  253.388   13.988   84.350   9.1457   83.414   12.890   85.300   12.978  250.116   20.065  252.980   19.968 -2.864059 28.30724 
1 1 1    0   11   33 o  540.791   12.328  382.657   17.269  366.200   28.542  392.161   21.690  523.982   21.029  545.951   15.338 -21.96820 26.02813 
1 1 1    0   11   34 o  251.776   15.304   83.858   9.9338   79.050   15.548   87.175   12.913  240.083   25.386  254.995   19.703 -14.91255 32.13530 
1 1 1    0   11   35 o  149.880   18.184   30.328   6.9151   45.393   9.9329   16.161   9.6328  182.501   21.419  106.016   32.223 76.48549 38.69261 
1 1 1    0   11   36 o  262.941   26.378   96.560   17.724   0.0000   0.0000   96.560   17.724  ?   ?   262.941   26.378 0.000000 26.37822 
1 1 1    0   11   37 o  118.750   27.708   20.592   8.3671   13.609   10.346   33.790   14.224   97.794   33.696  147.304   37.255 -49.50973 50.23245 
1 1 1    0   11   38 o  138.460   22.177   27.001   7.6855   27.015   10.554   26.985   11.213  133.732   31.063  132.642   32.817 1.090088 45.18654 
1 1 1    0   11   39 o  175.606   16.635   41.951   7.4767   44.278   10.683   39.717   10.467  176.081   24.052  165.949   25.137 10.13187 34.79071 
1 1 1    0   11   40 o  109.449   25.286   17.753   7.0246   17.513   10.104   17.977   9.7732  105.407   33.171  106.917   32.449 -1.510269 46.40259 
1 1 1    0   11   41 o   66.316   26.989   4.0079   7.2819   0.3185   9.5181   9.2156   11.308   65.395   28.828   85.247   34.004 -19.85155 44.57887 
1 1 1    0   11   42 o  112.576   26.358   19.391   7.5506   27.894   11.381   12.705   10.091  129.804   33.591   90.713   33.071 39.09147 47.13860 
1 1 1    0   11   43 o   93.158   29.657   13.987   8.0580   17.034   12.142   11.589   10.772   99.309   36.265   87.105   33.647 12.20361 49.46978 
1 1 1    0   11   44 o   69.309   29.002   4.9232   8.7274   3.1611   12.298   6.7113   12.388   73.002   32.444   78.297   33.716 -5.294342 46.79114 
1 1 1    0   11   45 o   83.050   33.345   11.063   10.950   0.0000   0.0000   11.063   10.950  ?   ?    83.050   33.345 0.000000 33.34483 
1 1 1    0   11   46 o   81.631   32.558   11.150   10.366   11.642   12.600   10.120   18.233   83.382   34.865   84.352   38.316 -0.9694061 51.80458 
1 1 1    0   11   47 o   72.834   29.150   8.1635   8.3392   15.529   12.433   2.1404   11.243   88.456   35.526   66.430   30.142 22.02629 46.58971 
1 1 1    0   11   48 o   75.240   29.735   9.7737   8.5736  -9.1974   12.203   28.265   12.048   55.713   27.035  114.593   36.241 -58.88071 45.21396 
1 1 1    0   12    0 o  515.617   13.133  344.677   17.541  341.600   24.713  347.800   24.900  513.052   18.596  517.689   18.569 -4.636536 26.27943 
1 1 1    0   12    1 o  266.824   9.9090   92.314   6.8486   98.275   9.7214   86.441   9.6498  275.161   13.639  257.620   14.520 17.54144 19.92130 
1 1 1    0   12    2 o  241.100   10.435   75.384   6.5166   81.414   9.3086   69.589   9.1259  249.993   14.436  230.968   15.341 19.02580 21.06537 
1 1 1    0   12    3 o  498.116   9.3330  321.702   12.042  325.584   17.128  317.907   16.934  500.841   13.203  494.900   13.210 5.940277 18.67620 
1 1 1    0   12    4 o  362.652   9.3800  170.532   8.8113  166.885   12.328  174.341   12.598  358.544   13.274  366.466   13.272 -7.921448 18.77084 
1 1 1    0   12    5 o  345.756   9.5486  155.034   8.5519  153.156   12.084  156.919   12.105  343.426   13.584  347.628   13.443 -4.202545 19.11083 
1 1 1    0   12    6 o  484.913   9.4092  304.973   11.819  320.830   17.271  291.008   16.208  496.996   13.415  473.354   13.219 23.64218 18.83380 
1 1 1    0   12    7 o  610.472   9.8358  483.545   15.553  477.733   21.849  489.515   22.146  606.245   13.913  613.672   13.932 -7.427490 19.68939 
1 1 1    0   12    8 o  558.329   9.7065  404.591   14.038  390.894   19.582  419.072   20.135  548.209   13.790  567.641   13.694 -19.43213 19.43405 
1 1 1    0   12    9 o  573.386   9.7378  426.904   14.463  427.683   20.621  426.149   20.291  573.149   13.890  572.163   13.691 0.9859619 19.50267 
1 1 1    0   12   10 o  438.046   10.037  249.296   11.389  238.361   16.202  259.976   16.012  427.581   14.629  446.703   13.838 -19.12192 20.13713 
1 1 1    0   12   11 o  485.931   10.987  307.017   13.829  268.200   24.299  325.615   16.819  451.923   20.757  500.047   12.985 -48.12424 24.48414 
1 1 1    0   12   12 o  484.826   11.254  305.586   14.134  297.000   25.968  309.199   16.848  475.723   21.073  487.311   13.347 -11.58740 24.94458 
1 1 1    0   12   13 f  702.769   21.554  647.000   39.236  647.000   39.236   0.0000   0.0000  702.769   21.554  ?   ?  0.000000 21.55355 
1 1 1    0   12   14 o  307.465   14.824  122.959   11.806   0.0000   0.0000  122.959   11.806  ?   ?   307.465   14.824 0.000000 14.82364 
1 1 1    0   12   15 o   97.345   23.811   12.868   5.9543   0.4165   15.587   14.995   6.4429   89.793   38.222  105.073   24.175 -15.27922 45.22525 
1 1 1    0   12   16 o  459.171   9.5750  273.374   11.388  270.921   16.520  275.594   15.721  456.818   13.961  460.801   13.171 -3.983154 19.19335 
1 1 1    0   12   17 o  513.349   9.7282  341.662   12.936  340.498   18.526  342.770   18.070  512.193   13.964  513.929   13.574 -1.735901 19.47423 
1 1 1    0   12   18 o   63.877   25.438   2.7031   6.3193   5.2714   9.2127   0.4210   8.6842   80.020   31.058   67.852   28.690 12.16775 42.28118 
1 1 1    0   12   19 o  520.611   10.995  351.477   14.828  362.666   21.549  341.417   20.434  528.481   15.742  512.795   15.384 15.68591 22.01057 
1 1 1    0   12   20 o  141.178   19.942   26.434   7.0897   28.530   9.9148   24.241   10.142  145.502   27.310  133.545   30.045 11.95682 40.60209 
1 1 1    0   12   21 o  684.240   10.484  607.179   18.581  618.932   26.358  595.569   26.197  690.382   14.739  677.203   14.934 13.17908 20.98282 
1 1 1    0   12   22 o  567.174   10.217  417.216   15.010  414.696   21.058  419.819   21.401  565.070   14.387  568.533   14.532 -3.463379 20.44895 
1 1 1    0   12   23 o  250.497   12.839   81.682   8.3028   70.758   11.441   93.834   12.067  232.318   19.184  267.990   17.480 -35.67192 25.95318 
1 1 1    0   12   24 o  435.617   10.862  246.260   12.256  232.488   17.516  259.469   17.155  422.772   15.995  446.766   14.824 -23.99414 21.80820 
1 1 1    0   12   25 o  838.961   13.394  914.728   29.106  880.652   34.974  991.500   52.496  822.479   16.416  870.452   23.283 -47.97302 28.48807 
1 1 1    0   12   26 o  288.003   22.765  109.300   16.845   0.0000   0.0000  109.300   16.845  ?   ?   288.003   22.765 0.000000 22.76549 
1 1 1    0   12   27 o  249.343   13.288   81.112   8.5511   80.965   12.578   81.239   11.660  248.032   19.741  248.745   18.224 -0.7129669 26.86646 
1 1 1    0   12   28 o  188.570   15.663   46.710   7.5815   79.265   12.507   27.801   9.5323  245.143   19.868  142.775   26.758 102.3680 33.32743 
1 1 1    0   12   29 o  359.575   11.258  168.244   10.485  165.386   15.524  170.641   14.219  355.475   16.860  361.434   15.187 -5.958557 22.69158 
1 1 1    0   12   30 o  620.892   10.665  501.881   17.152  505.082   25.093  499.075   23.500  621.044   15.598  617.725   14.686 3.318848 21.42435 
1 1 1    0   12   31 o   99.404   25.260   13.743   6.5176   14.439   10.260   13.273   8.4394  103.289   33.525   98.396   30.211 4.892609 45.12918 
1 1 1    0   12   32 f  102.645   25.437   14.752   6.7288   9.4560   10.894   18.020   8.5563   91.294   34.166  112.817   29.091 -21.52284 44.87376 
1 1 1    0   12   33 o  401.526   12.531  211.213   13.033  189.600   21.810  223.219   16.255  375.078   22.553  411.657   15.244 -36.57907 27.22170 
1 1 1    0   12   34 o  397.653   11.384  207.008   11.726  210.371   16.834  203.839   16.342  398.642   16.303  392.523   16.073 6.119598 22.89382 
1 1 1    0   12   35 o  162.279   23.463   36.505   9.5765   42.571   11.368   21.680   17.772  174.249   25.981  121.787   43.966 52.46291 51.06868 
1 1 1    0   12   36 o   83.667   31.150   8.5689   9.0318   20.640   12.360  -5.2630   13.230  116.679   36.683   70.944   32.385 45.73579 48.93279 
1 1 1    0   12   37 o  107.208   25.077   16.649   6.8398   18.677   9.5788   14.539   9.7700  111.223   31.705   99.380   32.738 11.84293 45.57388 
1 1 1    0   12   38 o   80.746   27.709   9.0528   6.9931   10.493   9.7335   7.5166   10.054   87.942   32.416   81.599   32.215 6.342644 45.70132 
1 1 1    0   12   39 o  233.270   14.702   73.230   8.8382   83.842   12.419   62.338   12.581  246.122   19.643  209.045   23.651 37.07700 30.74395 
1 1 1    0   12   40 o   70.761   27.776   5.6049   7.4337  -5.0195   10.467   16.417   10.559   60.940   28.176  101.688   34.054 -40.74759 44.19973 
1 1 1    0   12   41 o  236.400   14.500   75.674   8.8360   64.995   12.918   85.063   12.112  211.226   24.039  246.835   19.093 -35.60921 30.69855 
1 1 1    0   12   42 o   61.091   26.273   1.7221   7.5024   1.0703   10.488   2.4053   10.737   67.940   30.089   70.558   30.874 -2.618629 43.11042 
1 1 1    0   12   43 o  153.445   21.624   34.572   8.3566   27.198   10.918   45.002   12.985  125.884   33.058  165.395   31.459 -39.51074 45.63455 
1 1 1    0   12   44 o  138.789   29.477   31.826   10.270   38.031   12.264   17.260   18.790  148.235   32.807   95.779   41.384 52.45533 52.81035 
1 1 1    0   12   45 f   49.375   24.320 -16.2483   11.033 -25.6600   14.636  -3.8620   16.790   52.840   26.363   70.819   33.656 -17.97876 42.75245 
1 1 1    0   12   46 o   62.728   27.358   2.9868   8.3705   1.6882   11.226   4.6127   12.561   66.257   30.085   72.072   32.356 -5.814972 44.18120 
1 1 1    0   12   47 o   55.237   25.442  -1.3151   8.4160  -3.1839   12.055   0.4614   11.754   61.188   28.913   64.511   29.838 -3.322758 41.54884 
1 1 1    0   12   48 f   52.405   24.785  -3.8425   8.8941   3.6488   12.361 -11.8830   12.807   67.433   30.976   54.384   26.670 13.04904 40.87583 
1 1 1    0   13    1 o  333.885   9.5017  144.596   8.2177  144.323   11.636  144.867   11.607  333.322   13.477  333.954   13.418 -0.6319885 19.01770 
1 1 1    0   13    2 o  412.888   9.2287  221.111   9.8701  226.977   14.071  215.428   13.849  418.035   12.994  407.249   13.128 10.78574 18.47157 
1 1 1    0   13    3 o  484.384   9.4584  304.366   11.867  299.355   16.826  309.325   16.740  479.979   13.534  487.940   13.245 -7.960876 18.93637 
1 1 1    0   13    4 o  615.580   9.7634  491.697   15.568  502.082   22.258  481.751   21.783  621.466   13.827  608.755   13.814 12.71112 19.54502 
1 1 1    0   13    5 o  408.339   9.6041  216.391   10.158  209.512   14.646  222.769   14.102  401.330   14.088  413.948   13.152 -12.61777 19.27307 
1 1 1    0   13    6 o  182.884   13.354   43.740   6.2825   49.292   8.5838   37.335   9.2200  193.612   17.298  167.444   21.773 26.16797 27.80765 
1 1 1    0   13    7 o  210.092   12.451   57.618   6.7456   58.479   9.7145   56.817   9.3740  210.777   17.964  207.811   17.579 2.966522 25.13461 
1 1 1    0   13    8 o  239.099   11.761   74.367   7.2838   78.666   10.527   70.418   10.089  244.818   16.700  231.521   16.941 13.29686 23.78781 
1 1 1    0   13    9 o  188.867   14.290   46.772   6.9392   46.478   9.7637   47.073   9.8640  187.066   20.485  188.256   20.562 -1.190430 29.02474 
1 1 1    0   13   10 o  247.822   12.125   79.920   7.7832   82.593   11.008   77.247   11.007  250.794   17.046  242.382   17.652 8.412415 24.53882 
1 1 1    0   13   11 o  271.391   12.149   95.793   8.5407   92.317   12.721   98.646   11.524  265.034   18.649  274.474   16.282 -9.440460 24.75638 
1 1 1    0   13   12 o  492.530   14.514  315.712   18.517  298.900   26.081  332.800   26.294  477.960   21.066  504.561   20.118 -26.60107 29.12921 
1 1 1    0   13   13 o  423.625   18.436  233.900   20.230   0.0000   0.0000  233.900   20.230  ?   ?   423.625   18.436 0.000000 18.43569 
1 1 1    0   13   14 o  314.419   12.684  128.343   10.330  125.200   19.613  129.550   12.152  308.552   24.748  315.754   14.858 -7.202271 28.86595 
1 1 1    0   13   15 o   78.530   23.970   8.0633   5.3221   25.520   13.878   5.0533   5.7627  137.055   37.844   68.799   25.005 68.25576 45.35929 
1 1 1    0   13   16 o  910.444   11.631  1075.20   27.431  1142.00   58.185  1056.10   31.104  935.989   23.999  902.113   13.311 33.87585 27.44301 
1 1 1    0   13   17 o  268.822   33.240   96.090   22.653   96.090   22.653   0.0000   0.0000  268.822   33.240  ?   ?  0.000000 33.24046 
1 1 1    0   13   18 o  256.417   14.370   85.612   9.5063   90.238   13.348   80.851   13.542  262.672   19.763  248.352   21.255 14.31973 29.02316 
1 1 1    0   13   19 f  403.834   11.348  211.523   11.870  206.041   16.764  217.034   16.810  398.264   16.251  408.778   15.875 -10.51459 22.71790 
1 1 1    0   13   20 o  380.440   10.746  187.719   10.590  182.025   15.750  192.417   14.307  374.285   16.245  384.958   14.348 -10.67307 21.67391 
1 1 1    0   13   21 o  830.078   11.321  893.946   24.342  893.987   34.732  893.906   34.127  829.351   16.168  829.364   15.885 -0.1287842E-01 22.66571 
1 1 1    0   13   22 o  171.234   17.162   38.520   7.5097   26.395   11.859   46.638   9.7032  138.876   33.379  188.120   20.231 -49.24371 39.03145 
1 1 1    0   13   23 o  398.854   11.249  206.476   11.622  231.142   17.309  186.229   15.682  421.567   15.851  378.384   16.000 43.18289 22.52233 
1 1 1    0   13   24 o  442.066   13.169  253.932   15.080  250.278   18.619  260.900   25.709  438.479   16.393  446.742   22.217 -8.263245 27.60991 
1 1 1    0   13   25 o  933.802   16.890  1136.29   40.854   0.0000   0.0000  1136.29   40.854  ?   ?   933.802   16.890 0.000000 16.89021 
1 1 1    0   13   26 o  453.048   12.125  266.806   14.230  253.799   17.891  289.200   23.475  441.331   15.650  470.372   19.267 -29.04105 24.82229 
1 1 1    0   13   27 o  102.806   25.818   14.493   6.8657   12.973   10.098   15.799   9.3629  100.540   33.291  107.799   31.531 -7.258179 45.85326 
1 1 1    0   13   28 o  100.469   27.712   13.845   7.4461   12.449   11.304   14.915   9.8967  100.676   35.190  105.343   32.777 -4.666794 48.09008 
1 1 1    0   13   29 o  234.412   13.898   72.006   8.4010   81.685   11.750   61.885   12.016  248.682   18.371  215.348   21.843 33.33417 28.54150 
1 1 1    0   13   30 o  221.587   15.341   64.671   8.7513   55.403   12.690   73.077   12.085  202.260   24.736  234.263   20.110 -32.00337 31.87955 
1 1 1    0   13   31 o  425.137   16.180  237.887   17.818  237.887   17.818   0.0000   0.0000  425.137   16.180  ?   ?  0.000000 16.18010 
1 1 1    0   13   32 o  202.889   17.929   54.928   9.3253   56.170   15.242   54.185   11.789  199.965   30.383  199.545   23.244 0.4207153 38.25444 
1 1 1    0   13   33 o  257.524   14.925   87.707   9.9132   90.420   16.046   86.032   12.607  257.165   24.380  253.271   19.363 3.894363 31.13348 
1 1 1    0   13   34 o  214.941   15.155   61.375   8.3835   59.170   12.499   63.178   11.303  207.347   23.697  215.915   20.453 -8.568161 31.30360 
1 1 1    0   13   35 o  123.304   33.262   22.750   10.868   25.640   17.602   20.970   13.816  128.188   43.962  117.901   38.936 10.28680 58.72596 
1 1 1    0   13   36 o  229.745   16.422   70.937   9.7086   61.446   12.181   87.470   16.076  210.287   22.723  249.372   25.235 -39.08482 33.95816 
1 1 1    0   13   37 f  133.257   23.193   25.287   7.7150   23.826   10.731   26.850   11.099  124.212   32.850  132.096   32.629 -7.884270 46.30091 
1 1 1    0   13   38 o  366.592   11.899  177.976   11.299  177.584   15.744  178.393   16.226  362.266   16.778  362.624   17.274 -0.3578796 24.08115 
1 1 1    0   13   39 o  150.920   21.215   32.290   8.0646   28.213   11.538   36.186   11.277  132.684   33.550  154.300   29.285 -21.61572 44.53366 
1 1 1    0   13   40 o   70.977   25.838   6.6891   6.1563  -1.3760   9.3549   12.850   8.1763   62.111   27.900   91.404   29.941 -29.29268 40.92584 
1 1 1    0   13   41 o  104.982   28.237   17.328   7.8460   21.168   10.957   13.286   11.241  111.854   34.436   92.238   34.670 19.61685 48.86549 
1 1 1    0   13   42 o  131.682   25.493   26.550   8.3812   31.738   11.513   20.699   12.225  137.488   32.787  107.309   36.639 30.17862 49.16719 
1 1 1    0   13   43 o   54.343   24.718  -1.7345   7.6205   8.7939   11.661  -9.5823   10.068   80.544   33.598   52.696   25.318 27.84837 42.06881 
1 1 1    0   13   44 o   75.679   33.195   6.0708   12.479 -19.2600   21.150   19.600   15.457   68.101   33.569   97.866   39.503 -29.76439 51.83968 
1 1 1    0   13   45 o   71.937   30.863   6.2450   10.309   6.7225   12.637   5.2950   17.823   75.399   33.228   78.802   36.552 -3.403595 49.39780 
1 1 1    0   13   46 o  109.894   28.822   21.231   8.3059   25.543   12.176   17.479   11.359  109.929   36.565   92.717   34.851 17.21178 50.51305 
1 1 1    0   13   47 o   58.321   26.055   1.6902   8.0406   7.6846   10.702  -6.0781   12.183   72.065   31.185   58.045   27.878 14.02016 41.82891 
1 1 1    0   13   48 f   61.907   26.784   4.5577   7.8915   19.115   10.028 -19.1170   12.789   93.804   33.118   49.367   24.632 44.43714 41.27405 
1 1 1    0   14    0 o  501.517   13.331  326.510   17.319  314.200   24.215  339.400   24.779  491.386   19.024  510.748   18.730 -19.36224 26.69692 
1 1 1    0   14    1 o  773.744   10.577  777.672   21.199  783.886   30.169  771.612   29.794  775.670   15.015  769.595   14.946 6.075500 21.18570 
1 1 1    0   14    2 o  172.421   13.180   38.909   5.8420   32.323   8.2131   45.653   8.3113  155.715   20.889  186.181   17.437 -30.46671 27.21030 
1 1 1    0   14    3 o  284.870   10.689  105.446   7.8876  111.237   11.284   99.913   11.030  291.752   14.981  276.379   15.470 15.37329 21.53488 
1 1 1    0   14    4 o  275.905   10.998   98.957   7.8603  101.919   11.377   96.251   10.872  279.019   15.807  271.174   15.543 7.845459 22.16829 
1 1 1    0   14    5 o  323.104   10.385  135.681   8.6913  131.483   12.456  139.665   12.133  317.444   15.148  327.301   14.311 -9.857147 20.83924 
1 1 1    0   14    6 o  199.702   12.880   52.154   6.6269   50.818   8.7938   53.909   10.081  196.320   17.475  201.815   19.529 -5.495651 26.20646 
1 1 1    0   14    7 o  347.911   10.331  157.342   9.3106  157.705   12.854  156.941   13.504  347.737   14.270  346.762   15.035 0.9756775 20.72880 
1 1 1    0   14    8 o  162.306   23.035   35.367   9.4126   35.367   9.4126   0.0000   0.0000  162.306   23.035  ?   ?  0.000000 23.03475 
1 1 1    0   14    9 o  456.384   10.323  270.627   12.204  286.301   17.706  256.442   16.844  468.670   14.585  443.543   14.661 25.12671 20.68028 
1 1 1    0   14   10 o  102.419   27.186   14.330   7.3326   11.460   12.027   16.028   9.2506  100.213   36.170  108.604   31.220 -8.391129 47.78066 
1 1 1    0   14   11 o  278.550   24.345  102.500   17.389   0.0000   0.0000  102.500   17.389  ?   ?   278.550   24.345 0.000000 24.34488 
1 1 1    0   14   12 o  578.912   14.754  435.677   22.125  443.000   31.027  428.100   31.558  582.739   20.555  572.708   21.273 10.03027 29.58119 
1 1 1    0   14   13 f  339.691   10.947  149.701   9.6320  175.200   21.780  143.502   10.739  365.701   23.111  332.500   12.469 33.20129 26.26053 
1 1 1    0   14   14 f  1181.03   13.387  1810.50   40.955  1840.00   83.694  1801.22   46.962  1186.50   27.232  1177.57   15.396 8.930054 31.28249 
1 1 1    0   14   15 o  850.381   13.259  938.476   29.205  1148.00   59.814  872.887   33.466  938.223   24.612  819.786   15.760 118.4368 29.22530 
1 1 1    0   14   16 o  282.907   15.050  104.211   10.989   56.310   23.721  117.300   12.400  202.242   46.282  300.096   16.009 -97.85483 48.97272 
1 1 1    0   14   17 o  117.053   28.331   18.615   8.4977 -23.8900   22.533   25.663   9.1752   84.744   39.886  137.928   26.645 -53.18360 47.96752 
1 1 1    0   14   18 o  1320.01   14.756  2262.41   50.455  2529.00  111.938  2194.44   56.523  1389.59   31.099  1299.54   16.791 90.04517 35.34222 
1 1 1    0   14   19 o  483.731   12.781  303.684   16.015  366.900   32.058  282.660   18.487  530.431   23.332  466.479   15.300 63.95184 27.90120 
1 1 1    0   14   20 f  552.470   10.372  395.898   14.843  382.070   20.788  410.280   21.200  542.319   14.798  562.010   14.563 -19.69080 20.76186 
1 1 1    0   14   21 o  325.004   12.061  137.107   10.154  122.501   14.813  150.052   13.945  306.157   18.770  339.727   15.847 -33.56985 24.56500 
1 1 1    0   14   22 o  379.523   11.464  186.966   11.270  201.785   16.850  174.972   15.159  393.805   16.519  366.765   15.957 27.04028 22.96694 
1 1 1    0   14   23 o  253.246   13.999   83.624   9.1476   93.146   13.588   75.732   12.371  266.462   19.828  240.073   20.078 26.38936 28.21842 
1 1 1    0   14   24 o  384.619   18.474  193.001   18.406  212.500   28.903  179.700   23.872  400.758   28.019  369.172   25.113 31.58597 37.62568 
1 1 1    0   14   25 o  404.756   14.591  213.293   15.298  207.500   21.813  218.900   21.461  397.512   21.262  409.055   20.254 -11.54309 29.36477 
1 1 1    0   14   26 o  447.344   10.571  260.013   12.250  267.909   17.494  252.416   17.159  453.372   14.896  440.038   15.054 13.33377 21.17802 
1 1 1    0   14   27 o  322.857   12.284  135.699   10.273  132.242   14.846  138.875   14.231  317.258   18.141  325.434   16.940 -8.175629 24.82027 
1 1 1    0   14   28 o  576.964   10.924  433.274   16.326  452.650   24.162  416.996   22.147  588.122   15.861  564.744   15.139 23.37817 21.92613 
1 1 1    0   14   29 o  318.363   11.935  132.212   9.8419  127.728   13.899  136.723   13.939  311.237   17.308  322.218   16.758 -10.98111 24.09152 
1 1 1    0   14   30 o  127.163   23.310   22.240   7.3951   34.176   11.527   13.891   9.6407  156.163   29.578  100.955   32.471 55.20863 43.92332 
1 1 1    0   14   31 o  396.329   12.355  205.606   12.684  214.700   21.144  200.493   15.853  400.879   20.430  390.114   15.688 10.76471 25.75892 
1 1 1    0   14   32 o  339.912   13.168  151.684   11.594  133.600   19.203  162.056   14.543  313.462   23.829  350.206   16.032 -36.74350 28.72023 
1 1 1    0   14   33 o  166.527   17.504   37.263   7.4373   39.505   10.294   34.815   10.758  168.856   24.228  156.914   27.468 11.94218 36.62641 
1 1 1    0   14   34 o   82.874   34.865   4.0322   12.721   7.9700   18.071   0.1645   17.910   99.246   41.643   89.054   39.386 10.19195 57.31814 
1 1 1    0   14   35 o   56.338   25.434  -2.9482   7.8879 -13.9400   9.8840   16.330   13.090   50.935   24.624  106.205   37.800 -55.26943 45.11297 
1 1 1    0   14   36 o   48.378   22.714  -6.3664   7.2316  -5.0786   9.8495  -7.8725   10.652   59.994   27.593   59.319   27.760 0.6747551 39.14063 
1 1 1    0   14   37 o  141.685   21.758   28.390   7.7302   35.705   10.899   20.986   10.965  155.174   28.154  115.225   34.237 39.94910 44.32567 
1 1 1    0   14   38 o  148.764   19.059   30.850   7.1755   26.452   10.855   34.263   9.5626  129.357   32.452  153.270   24.944 -23.91273 40.93063 
1 1 1    0   14   39 o  157.452   19.042   34.697   7.6085   38.262   11.322   31.761   10.274  158.567   28.618  144.245   28.508 14.32195 40.39478 
1 1 1    0   14   40 o   74.908   28.094   7.5285   7.3734  -2.5916   9.8522   20.414   11.117   61.461   28.014  110.063   34.813 -48.60273 44.68457 
1 1 1    0   14   41 o   77.192   29.192   8.3708   7.9972   12.755   11.252   3.8959   11.368   90.071   34.492   73.832   32.045 16.23973 47.08020 
1 1 1    0   14   42 o  159.133   20.251   36.766   8.1584   28.397   11.811   44.403   11.282  126.078   34.951  168.840   26.684 -42.76232 43.97321 
1 1 1    0   14   43 o  146.995   26.117   34.182   9.5800   41.773   11.670   18.500   16.775  159.081   29.405   96.536   40.285 62.54443 49.87506 
1 1 1    0   14   44 o   78.328   34.148   8.2574   13.028   0.0000   0.0000   8.2574   13.028  ?   ?    78.328   34.148 0.000000 34.14791 
1 1 1    0   14   45 o   61.290   27.084   2.2495   8.4513  -6.5561   11.666   11.975   12.260   57.795   27.630   82.148   34.374 -24.35318 44.10179 
1 1 1    0   14   46 o   64.207   27.752   4.4080   8.4559   2.8606   12.547   5.6956   11.445   68.021   31.232   70.288   31.266 -2.266914 44.19276 
1 1 1    0   14   47 o  144.019   27.515   36.333   9.8903   43.190   13.965   29.432   14.009  139.689   37.713  107.591   39.006 32.09808 54.25601 
1 1 1    0   15    1 o  497.202   9.6656  321.230   12.448  321.617   17.599  320.842   17.611  496.684   13.679  496.079   13.705 0.6048584 19.36330 
1 1 1    0   15    2 o  180.676   14.106   42.830   6.5493   47.855   9.2466   37.770   9.2779  190.094   19.034  168.023   21.833 22.07112 28.96518 
1 1 1    0   15    3 o  166.428   14.851   36.434   6.3350   36.157   9.2191   36.681   8.7200  164.240   22.242  165.798   20.759 -1.558640 30.42466 
1 1 1    0   15    4 o  285.573   10.927  106.065   8.0829   99.693   11.287  112.772   11.581  275.782   15.867  293.491   15.286 -17.70874 22.03229 
1 1 1    0   15    5 o  490.190   9.9957  312.263   12.692  321.461   18.028  303.225   17.871  496.547   14.017  482.189   14.308 14.35742 20.02965 
1 1 1    0   15    6 o  323.690   10.661  136.197   8.9390  132.135   12.393  140.601   12.905  318.255   15.034  328.268   15.177 -10.01349 21.36272 
1 1 1    0   15    7 o  281.485   11.724  103.029   8.5480   96.631   11.878  109.903   12.311  271.497   16.975  289.705   16.474 -18.20856 23.65444 
1 1 1    0   15    8 o  362.830   12.667  171.193   11.905  172.800   20.072  170.322   14.786  362.545   21.469  361.500   15.791 1.044952 26.65081 
1 1 1    0   15    9 o  329.049   23.376  142.600   19.795   0.0000   0.0000  142.600   19.795  ?   ?   329.049   23.376 0.000000 23.37642 
1 1 1    0   15   10 o   67.672   27.896   1.8541   7.9054   0.6394   9.7881   4.1330   13.407   72.028   30.457   89.373   36.525 -17.34483 47.55704 
1 1 1    0   15   11 o  616.058   10.757  492.430   17.165  481.940   24.000  503.416   24.560  608.914   15.216  622.330   15.235 -13.41681 21.53261 
1 1 1    0   15   12 o  1052.49   17.973  1440.94   48.999  1440.94   48.999   0.0000   0.0000  1052.49   17.973  ?   ?  0.000000 17.97292 
1 1 1    0   15   13 o  847.434   23.298  936.300   51.142  936.300   51.142   0.0000   0.0000  847.434   23.298  ?   ?  0.000000 23.29800 
1 1 1    0   15   14 o  405.724   11.299  213.513   11.875  214.100   27.065  213.373   13.215  404.183   25.989  405.519   12.581 -1.335510 28.87385 
1 1 1    0   15   15 o  769.485   13.007  768.348   25.925  748.900   47.477  776.610   30.946  757.894   24.184  773.306   15.449 -15.41174 28.69741 
1 1 1    0   15   16 o  383.001   12.936  190.352   12.833  220.900   28.286  182.435   14.401  410.445   26.752  374.837   14.832 35.60791 30.58811 
1 1 1    0   15   17 o  1097.32   15.311  1563.93   43.520  1791.00   85.662  1484.93   50.526  1170.30   28.258  1068.61   18.254 101.6890 33.64101 
1 1 1    0   15   18 o  535.580   10.946  372.092   15.185  402.300   32.836  363.875   17.126  555.440   22.823  529.508   12.486 25.93207 26.01509 
1 1 1    0   15   19 o  657.207   11.273  560.421   19.191  514.500   39.068  575.027   22.033  627.690   24.028  665.544   12.780 -37.85394 27.21564 
1 1 1    0   15   20 o  444.548   11.519  256.486   13.265  319.600   29.950  241.085   14.795  494.635   23.376  430.850   13.257 63.78564 26.87317 
1 1 1    0   15   21 o  652.088   12.200  552.148   20.608  615.500   39.549  528.536   24.144  686.425   22.243  637.634   14.618 48.79114 26.61663 
1 1 1    0   15   22 o  169.877   19.194   38.112   8.2977   46.395   12.006   30.536   11.481  186.429   25.532  149.569   30.665 36.86009 39.90227 
1 1 1    0   15   23 o   92.994   36.136   7.4894   12.483   0.4522   21.135   11.260   15.470  103.303   44.252  106.774   40.549 -3.470146 60.02036 
1 1 1    0   15   24 o   60.147   27.039  -4.0800   8.8056 -11.6300   12.919   2.4710   12.034   66.078   30.807   82.259   34.206 -16.18153 46.03450 
1 1 1    0   15   25 o  438.187   10.953  249.535   12.432  254.477   18.307  245.304   16.937  441.646   16.002  433.792   15.073 7.853943 21.98382 
1 1 1    0   15   26 o  202.544   14.846   53.807   7.7348   66.572   10.519   38.780   11.413  224.748   18.225  169.035   26.973 55.71246 32.55329 
1 1 1    0   15   27 o  321.031   16.517  135.301   13.688   0.0000   0.0000  135.301   13.688  ?   ?   321.031   16.517 0.000000 16.51675 
1 1 1    0   15   28 o  547.054   10.996  389.905   15.581  369.507   22.380  409.090   21.705  530.682   16.281  558.932   14.992 -28.24994 22.13190 
1 1 1    0   15   29 o  162.467   18.622   35.307   7.6952   42.389   11.462   29.496   10.383  175.811   25.949  145.217   28.621 30.59401 38.63300 
1 1 1    0   15   30 o  327.809   12.838  140.753   10.901  148.700   18.770  136.709   13.391  332.747   21.899  322.050   16.052 10.69717 27.15231 
1 1 1    0   15   31 o   69.613   27.482   4.1935   7.3160   2.4470   11.892   5.2570   9.2799   79.320   33.558   77.653   30.857 1.666656 45.58820 
1 1 1    0   15   32 o  107.503   25.186   16.377   6.8908   14.323   9.6787   18.488   9.8128  100.802   32.547  112.743   32.073 -11.94087 45.69440 
1 1 1    0   15   33 o  124.388   29.126   22.482   9.2192   20.463   11.023   27.180   16.817  117.280   34.187  132.060   42.926 -14.78053 54.87585 
1 1 1    0   15   34 o  268.303   16.503   96.454   11.414   85.130   22.851  100.218   13.175  235.340   38.840  272.168   18.803 -36.82866 43.15245 
1 1 1    0   15   35 o  161.725   21.687   36.479   8.8562   46.146   11.506   22.430   13.872  179.959   25.389  118.997   39.000 60.96242 46.53659 
1 1 1    0   15   36 o  151.401   18.229   31.549   7.0051   44.493   10.533   21.283   9.3804  176.920   23.570  118.011   30.475 58.90853 38.52620 
1 1 1    0   15   37 o  138.198   19.600   26.756   6.8198   20.192   9.7923   32.939   9.5036  113.272   31.975  150.072   25.351 -36.79922 40.80558 
1 1 1    0   15   38 o   53.722   24.220  -1.9922   7.1248   5.9500   10.430  -8.9397   9.7553   77.465   31.999   54.061   25.681 23.40400 41.02979 
1 1 1    0   15   39 o   70.166   27.863   5.5284   7.5615   9.6642   10.358   0.8089   11.064   84.120   32.853   69.600   30.861 14.51948 45.07425 
1 1 1    0   15   40 o   75.377   28.462   7.7978   7.5949   9.8239   10.173   5.2460   11.416   83.239   32.544   76.341   32.608 6.898010 46.06968 
1 1 1    0   15   41 o   61.016   25.914   2.5337   7.1358  -2.8447   10.592   7.0036   9.6559   61.908   28.525   75.518   30.945 -13.61016 42.08632 
1 1 1    0   15   42 o  127.451   26.498   25.882   8.4626   22.552   12.321   28.855   11.643  108.244   36.784  125.953   34.617 -17.70924 50.51111 
1 1 1    0   15   43 o   83.353   35.088   11.359   12.897   19.740   17.264   0.7735   19.402   96.094   40.531   77.394   36.604 18.70010 54.61326 
1 1 1    0   15   44 o   96.506   35.693   19.069   11.820   38.820   16.157  -3.6690   17.336  128.734   42.086   70.027   33.532 58.70781 53.81102 
1 1 1    0   15   45 o   89.060   28.914   14.350   7.6311   16.943   11.119   12.041   10.492   90.809   34.403   80.844   32.576 9.965340 47.37894 
1 1 1    0   15   46 o   56.116   25.879  -0.5988   8.7452 -13.7491   12.135   13.609   12.614   51.791   25.510   81.376   34.501 -29.58500 42.90788 
1 1 1    0   15   47 o   70.009   29.365   8.4976   8.9807  -3.2150   12.133   22.690   13.356   58.593   28.056   93.091   37.010 -34.49818 46.44239 
1 1 1    0   16    0 o  355.598   14.885  164.348   13.711  170.800   19.548  158.100   19.236  361.291   20.978  347.466   21.477 13.82480 30.02266 
1 1 1    0   16    1 o  235.792   12.550   72.567   7.6378   79.137   10.856   66.127   10.748  245.466   17.182  223.976   18.696 21.49036 25.39238 
1 1 1    0   16    2 o  580.708   10.184  438.159   15.319  432.894   21.529  443.559   21.803  576.278   14.422  583.332   14.429 -7.053589 20.40124 
1 1 1    0   16    3 o  576.694   10.210  432.054   15.252  422.699   21.485  441.558   21.656  569.519   14.564  582.134   14.362 -12.61542 20.45392 
1 1 1    0   16    4 o  459.528   11.855  274.555   14.112  251.100   24.142  286.728   17.392  437.576   21.300  469.189   14.311 -31.61304 25.66075 
1 1 1    0   16    5 f  249.746   26.255   83.040   16.730   0.0000   0.0000   83.040   16.730  ?   ?   249.746   26.255 0.000000 26.25457 
1 1 1    0   16    6 f  499.997   21.333  327.200   27.629   0.0000   0.0000  327.200   27.629  ?   ?   499.997   21.333 0.000000 21.33281 
1 1 1    0   16    7 o  382.740   20.945  192.000   20.687  192.000   20.687   0.0000   0.0000  382.740   20.945  ?   ?  0.000000 20.94517 
1 1 1    0   16    8 o  164.925   20.897   36.058   8.7270   35.685   10.941   36.710   14.469  162.871   26.872  163.542   35.197 -0.6712036 44.28256 
1 1 1    0   16    9 o  487.206   10.468  307.961   13.210  308.325   18.904  307.615   18.468  487.052   14.984  486.528   14.654 0.5234375 20.95854 
1 1 1    0   16   10 o  164.521   18.591   35.669   7.7838   35.729   10.668   35.601   11.382  163.340   26.093  162.665   28.025 0.6742859 38.29157 
1 1 1    0   16   11 o  368.922   16.007  176.857   15.296  176.857   15.296   0.0000   0.0000  368.922   16.007  ?   ?  0.000000 16.00659 
1 1 1    0   16   12 o  456.720   11.606  270.604   13.731  261.343   19.618  279.496   19.225  448.425   16.890  463.820   16.001 -15.39560 23.26601 
1 1 1    0   16   13 o  276.647   15.205   99.692   10.854  100.825   16.610   98.848   14.339  277.152   23.354  274.856   20.283 2.295929 30.93289 
1 1 1    0   16   14 f  954.236   14.589  1182.29   36.059  1170.00   63.400  1188.16   43.841  946.727   25.853  956.038   17.703 -9.310486 31.33350 
1 1 1    0   16   15 o  982.373   14.833  1253.22   37.745  1268.00   66.966  1246.34   45.695  985.364   26.237  979.054   18.018 6.309570 31.82810 
1 1 1    0   16   16 o  286.632   14.295  106.685   10.614  160.500   25.737   95.658   11.651  349.044   28.721  270.777   16.692 78.26721 33.21961 
1 1 1    0   16   17 o  156.616   21.292   32.544   8.4138   31.200   23.371   32.744   9.0185  154.820   50.617  156.828   22.874 -2.007751 55.54519 
1 1 1    0   16   18 o  1284.98   14.408  2145.19   47.957  2366.00  103.989  2085.54   54.048  1342.61   29.901  1266.38   16.477 76.23145 34.14002 
1 1 1    0   16   19 o  130.390   26.254   23.048   8.5606   21.170   22.954   23.351   9.2262  136.802   49.877  130.997   28.037 5.805298 57.21721 
1 1 1    0   16   20 f  325.081   13.028  137.289   10.971  142.400   26.578  136.239   12.045  327.160   31.763  323.729   14.363 3.430725 34.85960 
1 1 1    0   16   21 o  509.905   11.389  337.618   15.043  353.900   30.097  332.197   17.368  520.138   22.339  505.560   13.262 14.57724 25.97891 
1 1 1    0   16   22 o  569.448   15.699  422.301   23.157  404.500   33.885  437.900   31.719  555.410   23.553  578.570   21.165 -23.16046 31.66511 
1 1 1    0   16   23 o  229.715   27.478   70.580   16.026   0.0000   0.0000   70.580   16.026  ?   ?   229.715   27.478 0.000000 27.47800 
1 1 1    0   16   24 o  109.978   26.886   16.618   7.5950   7.7511   11.606   23.258   10.044   90.992   34.986  129.762   30.412 -38.77047 46.35679 
1 1 1    0   16   25 o  595.518   10.715  461.106   16.528  449.073   23.766  472.376   23.002  586.408   15.646  601.704   14.758 -15.29620 21.50828 
1 1 1    0   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   27 o  175.168   16.682   40.628   7.4780   34.512   10.348   47.316   10.819  158.757   26.067  187.520   22.739 -28.76297 34.59162 
1 1 1    0   16   28 o  142.878   22.184   27.779   7.9438   11.685   11.657   41.733   10.854   98.060   35.576  174.906   24.641 -76.84549 43.27602 
1 1 1    0   16   29 o  154.746   21.630   32.556   8.4332   36.850   13.835   30.017   10.638  159.730   34.451  145.817   29.183 13.91264 45.14987 
1 1 1    0   16   30 o  422.504   12.149  233.857   13.296  220.200   21.221  242.684   17.061  405.938   20.182  428.948   15.355 -23.01080 25.35884 
1 1 1    0   16   31 o  121.043   23.228   20.448   7.0180   15.333   11.399   23.571   8.9062  104.694   35.381  128.566   27.570 -23.87223 44.85449 
1 1 1    0   16   32 o  286.940   12.485  108.272   9.2796  116.573   14.006  101.777   12.389  294.597   18.447  275.729   17.436 18.86838 25.38318 
1 1 1    0   16   33 o  383.305   18.395  197.514   18.264  216.500   27.047  181.600   24.762  392.693   26.749  359.500   26.784 33.19302 37.85304 
1 1 1    0   16   34 o  238.448   16.859   76.677   10.346   83.000   14.973   70.900   14.312  243.286   24.076  223.986   25.099 19.30064 34.77957 
1 1 1    0   16   35 o  246.402   14.199   81.230   9.0240   93.449   13.249   70.656   12.325  260.529   19.780  225.240   21.381 35.28874 29.12709 
1 1 1    0   16   36 o   79.409   26.672   8.9776   6.4775   8.5561   8.3153   9.6283   10.330   80.349   29.894   85.717   32.994 -5.367477 44.52269 
1 1 1    0   16   37 o   48.974   22.926  -5.5389   7.2747  -8.2128   10.285  -2.8621   10.291   56.588   26.729   62.998   28.682 -6.409958 39.20564 
1 1 1    0   16   38 o   48.226   22.593  -5.3596   7.0880  -6.1396   9.5387  -4.3979   10.592   56.122   26.266   61.449   28.388 -5.327053 38.67543 
1 1 1    0   16   39 o   59.559   25.272   2.0385   6.7763  -1.2285   8.6404   7.2588   10.922   59.411   26.739   79.192   32.731 -19.78074 42.26452 
1 1 1    0   16   40 o   55.845   24.661   0.0928   6.9951   2.7092   11.493  -1.4467   8.8162   71.637   31.623   59.014   26.743 12.62333 41.41502 
1 1 1    0   16   41 o   86.045   29.122   12.155   7.7227   7.6882   11.106   16.336   10.745   77.662   32.620   95.594   34.224 -17.93137 47.27937 
1 1 1    0   16   42 o   61.415   27.622   0.5678   9.2018   0.5490   10.513   0.6296   19.028   64.326   29.172   77.244   36.446 -12.91843 46.68304 
1 1 1    0   16   43 o   83.682   35.355   12.457   13.172   0.0000   0.0000   12.457   13.172  ?   ?    83.682   35.355 0.000000 35.35538 
1 1 1    0   16   44 o   50.678   24.189  -6.1230   8.8676  -1.2904   12.177 -11.5800   12.939   63.340   29.655   55.986   27.317 7.353352 40.31920 
1 1 1    0   16   45 o   52.156   24.385  -2.6643   8.1854  -6.4463   11.748   0.9043   11.411   56.641   27.247   63.346   29.335 -6.704952 40.03696 
1 1 1    0   16   46 o   51.840   24.583  -3.7148   8.8640 -11.8641   12.178   5.4665   12.926   52.368   25.747   68.766   31.621 -16.39795 40.77736 
1 1 1    0   16   47 o   51.830   25.887 -17.3865   14.275   8.8080   21.706 -37.3500   18.949   72.512   35.381   51.426   26.163 21.08600 44.00370 
1 1 1    0   17    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17    2 o  353.447   23.061  164.300   20.998  164.300   20.998   0.0000   0.0000  353.447   23.061  ?   ?  0.000000 23.06146 
1 1 1    0   17    3 f  110.643   34.225   16.226   10.808   16.226   10.808   0.0000   0.0000  110.643   34.225  ?   ?  0.000000 34.22472 
1 1 1    0   17    4 o  147.733   22.533   29.173   8.3499   36.522   10.137   13.660   14.728  165.276   24.412  110.292   39.992 54.98342 46.85369 
1 1 1    0   17    5 o  543.921   10.264  383.884   14.462  361.101   19.852  409.644   21.109  527.040   14.542  561.352   14.517 -34.31189 20.54800 
1 1 1    0   17    6 o  216.083   14.866   60.976   8.2701   33.442   11.851   87.116   11.547  156.970   30.242  258.141   17.370 -101.1712 34.87545 
1 1 1    0   17    7 o  204.548   15.248   54.677   8.0211   63.594   11.553   46.379   11.145  219.956   20.514  187.022   23.527 32.93419 31.21404 
1 1 1    0   17    8 o   67.288   27.006   2.7943   7.1797   1.0653   10.222   4.4781   10.087   74.461   31.285   80.744   32.144 -6.283356 44.85545 
1 1 1    0   17    9 o  524.662   10.624  357.046   14.438  354.138   20.385  359.973   20.452  522.128   15.073  526.420   14.998 -4.291931 21.26342 
1 1 1    0   17   10 o  833.049   11.640  900.334   25.117  893.212   35.625  907.374   35.417  829.016   16.590  835.602   16.363 -6.585632 23.30163 
1 1 1    0   17   11 o  170.338   20.934   38.341   9.0421   47.937   13.244   29.963   12.375  189.534   27.802  148.255   33.067 41.27962 43.20157 
1 1 1    0   17   12 o  704.537   11.727  643.960   21.402  637.125   30.331  650.737   30.203  700.180   16.724  707.656   16.477 -7.475769 23.47694 
1 1 1    0   17   13 o  288.880   18.433  108.974   13.721  123.776   20.218   96.336   18.682  306.841   25.674  270.192   27.056 36.64890 37.29843 
1 1 1    0   17   14 o  664.235   12.043  572.501   20.722  595.570   29.955  551.331   28.695  676.846   17.085  651.234   17.011 25.61261 24.10979 
1 1 1    0   17   15 o  336.774   12.529  147.209   10.930  163.600   25.859  143.643   12.060  352.319   28.581  332.582   13.999 19.73663 31.82541 
1 1 1    0   17   16 o  107.568   29.149   15.675   8.3244   17.570   20.989   15.322   9.0680  128.275   47.540  106.891   30.964 21.38395 56.73419 
1 1 1    0   17   17 o  180.696   20.130   43.078   9.2618   25.980   24.522   45.923   10.003  146.655   51.787  186.479   21.078 -39.82381 55.91179 
1 1 1    0   17   18 o  610.071   11.141  483.078   17.605  526.800   36.433  469.759   20.109  635.066   22.148  601.380   12.909 33.68536 25.63504 
1 1 1    0   17   19 o  244.255   16.595   78.027   10.437   74.810   25.916   78.650   11.403  232.424   44.669  245.009   18.095 -12.58426 48.19494 
1 1 1    0   17   20 o  389.045   12.546  196.678   12.643  176.900   29.829  201.010   13.959  364.382   31.925  393.180   13.706 -28.79794 34.74324 
1 1 1    0   17   21 o  399.544   18.101  208.339   18.734  199.200   28.491  215.300   24.865  387.493   28.587  404.359   23.845 -16.86630 37.22654 
1 1 1    0   17   22 o  304.211   20.345  121.688   15.939   0.0000   0.0000  121.688   15.939  ?   ?   304.211   20.345 0.000000 20.34468 
1 1 1    0   17   23 o  400.236   12.746  208.481   13.214  208.900   29.336  208.374   14.800  395.736   28.816  399.884   14.288 -4.147766 32.16404 
1 1 1    0   17   24 o  215.023   17.749   60.935   9.7972   59.310   25.028   61.230   10.647  202.214   48.423  215.208   19.304 -12.99402 52.12937 
1 1 1    0   17   25 f  421.659   13.871  232.094   15.150  204.600   30.372  241.201   17.480  389.100   30.375  429.374   15.716 -40.27414 34.20024 
1 1 1    0   17   26 o  122.291   24.366   20.588   7.4473   12.952   11.009   27.030   10.112  100.635   34.753  139.247   28.978 -38.61188 45.24939 
1 1 1    0   17   27 o  174.399   16.551   40.366   7.3872   31.474   10.774   48.256   10.148  150.079   28.761  189.509   21.028 -39.43037 35.62852 
1 1 1    0   17   28 o  387.056   12.406  196.083   12.438  213.200   19.895  185.101   15.936  400.696   19.168  374.587   16.424 26.10910 25.24212 
1 1 1    0   17   29 o  109.984   27.746   17.228   7.9039   6.2270   13.099   23.528   9.9118   88.695   36.158  127.871   30.375 -39.17654 47.22350 
1 1 1    0   17   30 f  340.164   16.005  153.242   14.102   0.0000   0.0000  153.242   14.102  ?   ?   340.164   16.005 0.000000 16.00488 
1 1 1    0   17   31 o  293.744   12.594  113.503   9.5828  113.228   13.592  113.776   13.513  290.474   18.155  291.265   17.999 -0.7911987 25.56501 
1 1 1    0   17   32 o  108.732   38.779   17.098   13.783   7.4870   22.095   23.220   17.635  103.820   44.867  122.757   43.855 -18.93716 62.73980 
1 1 1    0   17   33 o   52.077   23.277  -1.8476   6.4253 -11.5900   8.4027   11.870   9.9705   47.351   22.845   92.514   32.983 -45.16317 40.12242 
1 1 1    0   17   34 f  100.441   30.124   15.207   8.4596   22.735   10.879   3.6950   13.454  120.590   33.585   81.610   35.140 38.98068 48.60870 
1 1 1    0   17   35 o  259.741   13.462   90.242   9.0260   91.627   12.302   88.628   13.284  258.129   18.522  252.214   20.511 5.916000 27.63624 
1 1 1    0   17   36 o   56.724   25.110  -0.6432   7.2955  -6.9911   10.518   5.2419   10.128   58.655   27.493   75.563   31.398 -16.90797 41.73359 
1 1 1    0   17   37 o   94.429   27.404   13.756   7.0971   24.673   9.6815   1.0743   10.434  124.771   30.266   68.502   30.191 56.26940 42.74924 
1 1 1    0   17   38 o   69.489   27.768   5.4629   7.5540   1.8973   10.811   8.8643   10.559   69.989   30.793   81.863   32.788 -11.87379 44.98080 
1 1 1    0   17   39 o   73.697   27.601   7.6177   7.1118   7.1950   11.311   7.8940   9.1457   78.621   32.965   77.010   30.623 1.611023 44.99439 
1 1 1    0   17   40 o  178.991   18.350   45.741   8.3874   32.835   11.569   60.038   12.177  137.788   32.874  198.924   24.126 -61.13599 40.77698 
1 1 1    0   17   41 o   79.652   30.318   10.240   8.6613   17.719   12.334   2.9636   12.166   95.800   36.248   70.753   31.797 25.04696 48.21769 
1 1 1    0   17   42 o   94.799   34.382   17.602   10.887  -4.0880   19.488   27.442   13.126   72.681   34.996  113.560   37.969 -40.87931 51.63691 
1 1 1    0   17   43 o  111.667   36.133   26.301   11.924   44.980   17.242   9.1780   16.509  134.391   43.446   79.151   36.149 55.24020 56.51811 
1 1 1    0   17   44 f   92.867   28.662   15.836   7.5849   26.788   11.398   7.1336   10.161  112.336   35.213   70.532   30.454 41.80355 46.55516 
1 1 1    0   17   45 o   53.388   25.092  -2.5051   8.8617  -2.4434   12.281  -2.5720   12.799   60.177   28.652   60.878   29.058 -0.7015648 40.80827 
1 1 1    0   17   46 o  101.876   31.917   22.211   9.3661   13.288   12.913   32.117   13.605   76.611   33.681  108.975   38.563 -32.36397 51.20132 
1 1 1    0   18    0 o  100.826   32.324   12.950   9.5592   29.060   13.962  -1.2670   13.116  146.200   36.872   80.409   34.659 65.79108 50.60464 
1 1 1    0   18    1 o  123.438   23.597   20.558   7.2700   19.759   10.228   21.374   10.335  120.456   32.173  125.100   31.820 -4.643959 45.25015 
1 1 1    0   18    2 o  767.515   15.700  765.841   31.213   0.0000   0.0000  765.841   31.213  ?   ?   767.515   15.700 0.000000 15.69981 
1 1 1    0   18    3 o  1050.57   12.568  1432.84   34.201  1434.63   48.413  1431.06   48.322  1049.98   17.800  1048.68   17.789 1.304688 25.16551 
1 1 1    0   18    4 o  402.435   10.818  210.110   11.277  219.670   16.239  201.204   15.673  411.146   15.248  393.474   15.378 17.67148 21.65582 
1 1 1    0   18    5 o  363.666   11.345  171.596   10.688  172.716   15.385  170.552   14.858  364.502   16.294  362.249   15.834 2.253693 22.72080 
1 1 1    0   18    6 o  621.878   10.780  501.668   17.366  480.222   24.059  524.993   25.091  607.958   15.278  635.670   15.238 -27.71301 21.57800 
1 1 1    0   18    7 o  979.383   12.295  1244.78   31.192  1255.98   44.672  1234.13   43.572  982.762   17.548  974.237   17.266 8.524719 24.61829 
1 1 1    0   18    8 o  435.679   11.492  246.260   12.969  231.130   18.524  260.808   18.163  421.660   16.960  448.037   15.651 -26.37750 23.07748 
1 1 1    0   18    9 o  428.968   12.087  238.771   13.430  248.718   20.428  231.198   17.824  437.313   18.034  421.788   16.314 15.52509 24.31761 
1 1 1    0   18   10 o  302.276   15.929  119.049   12.429  111.373   18.276  125.652   16.952  291.132   24.462  309.869   21.248 -18.73743 32.40149 
1 1 1    0   18   11 o  704.642   12.187  644.302   22.244  643.752   31.709  644.836   31.212  703.643   17.397  704.280   17.109 -0.6375732 24.40019 
1 1 1    0   18   12 o  518.841   11.899  349.307   15.992  331.882   22.741  366.356   22.494  505.195   17.378  530.907   16.357 -25.71191 23.86500 
1 1 1    0   18   13 o  102.901   31.353   13.963   9.1113   24.037   13.635   5.8373   12.247  133.161   37.782   89.600   35.498 43.56091 51.84150 
1 1 1    0   18   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   15 o  425.889   15.061  235.769   16.615  221.600   29.745  242.195   20.032  410.114   28.171  431.329   17.930 -21.21457 33.39269 
1 1 1    0   18   16 o  680.080   11.214  600.318   19.755  683.000   42.644  577.725   22.292  722.964   22.771  666.926   12.904 56.03821 26.17335 
1 1 1    0   18   17 o  340.535   13.271  150.685   11.707  129.300   27.993  155.218   12.888  310.478   35.443  345.519   14.400 -35.04068 38.25613 
1 1 1    0   18   18 o  463.957   11.903  279.594   14.305  318.700   30.776  268.818   16.156  493.146   24.093  454.713   13.716 38.43243 27.72376 
1 1 1    0   18   19 o  258.157   19.180   87.494   12.734  111.800   27.546   80.889   14.360  286.955   37.994  247.491   22.651 39.46324 44.23355 
1 1 1    0   18   20 o  100.324   39.529   8.2551   15.109  -9.9090   25.493   18.090   18.759  102.216   45.974  124.507   45.136 -22.29064 64.42741 
1 1 1    0   18   21 f  165.807   31.924   37.755   13.213   0.0000   0.0000   37.755   13.213  ?   ?   165.807   31.924 0.000000 31.92376 
1 1 1    0   18   22 o  113.986   28.332   17.917   8.3291  -0.8708   23.418   20.638   8.9118  105.810   45.958  122.294   28.637 -16.48412 54.15003 
1 1 1    0   18   23 o  515.610   12.170  346.175   16.254  321.400   35.237  352.871   18.319  490.562   27.845  520.228   13.594 -29.66602 30.98651 
1 1 1    0   18   24 o  184.719   20.342   45.483   9.5718   27.190   26.244   48.290   10.280  145.107   53.267  190.164   21.232 -45.05792 57.34229 
1 1 1    0   18   25 o  440.181   12.583  252.967   14.347  264.600   33.998  250.447   15.826  441.187   29.926  437.579   13.962 3.608002 33.02300 
1 1 1    0   18   26 o  203.360   19.304   55.216   10.047   62.910   27.422   54.024   10.798  200.839   52.223  200.553   21.101 0.2859344 56.32498 
1 1 1    0   18   27 f   85.685   31.836   8.4201   9.4243   0.0000   0.0000   8.4201   9.4243  ?   ?    85.685   31.836 0.000000 31.83561 
1 1 1    0   18   28 o   66.110   26.731   3.0930   7.0908  -2.0120   11.563   6.1694   8.9766   71.370   31.602   78.870   30.645 -7.499573 44.02007 
1 1 1    0   18   29 o  224.598   13.874   66.700   8.0321   68.927   12.148   64.970   10.706  225.395   21.052  219.705   18.999 5.689621 28.35712 
1 1 1    0   18   30 o  306.628   12.995  123.832   10.322  133.086   15.570  116.575   13.787  314.272   19.218  294.688   18.150 19.58435 26.43397 
1 1 1    0   18   31 o  111.348   31.344   18.418   9.4230   10.119   10.926   42.510   18.616   90.337   34.132  161.579   43.510 -71.24235 55.30013 
1 1 1    0   18   32 o   80.722   31.718   7.0840   9.7023   0.0000   0.0000   7.0840   9.7023  ?   ?    80.722   31.718 0.000000 31.71754 
1 1 1    0   18   33 o   95.793   30.102   13.691   8.3239   15.340   10.917   11.400   12.865  100.835   34.620   93.714   36.610 7.121460 50.38654 
1 1 1    0   18   34 o   59.608   24.466   2.5957   6.0481  -5.6171   7.7930   15.035   9.5909   51.206   23.892   98.772   32.432 -47.56568 40.28195 
1 1 1    0   18   35 o  203.264   16.284   56.474   8.5017   57.209   12.919   55.912   11.291  197.054   25.941  197.736   22.442 -0.6820068 34.30124 
1 1 1    0   18   36 o  150.709   18.574   31.872   7.0974   27.230   9.8714   36.839   10.212  131.650   29.659  156.760   26.064 -25.10933 39.48392 
1 1 1    0   18   37 o  102.635   26.934   16.427   7.2507   8.9559   11.332   21.606   9.4346   82.941   33.702  115.085   30.968 -32.14432 45.76926 
1 1 1    0   18   38 o  194.276   17.171   52.781   8.5523   56.278   12.707   49.885   11.563  191.762   26.272  181.431   25.293 10.33099 36.46846 
1 1 1    0   18   39 o   66.887   27.812   4.5786   7.9547   4.2067   11.474   4.9228   11.038   72.842   31.893   73.225   31.679 -0.3835983 44.95213 
1 1 1    0   18   40 o   76.994   30.062   9.0991   8.6709   10.562   12.639   7.7983   11.918   82.622   34.755   77.538   33.223 5.083839 48.07989 
1 1 1    0   18   41 o   68.146   31.195   1.6002   12.389   13.490   16.652 -13.1400   18.540   86.246   38.069   65.948   32.289 20.29883 49.91786 
1 1 1    0   18   42 o  149.334   26.007   36.795   9.6945   48.440   14.696   27.822   12.900  154.575   37.161  112.378   37.640 42.19622 52.89310 
1 1 1    0   18   43 o  149.310   27.336   38.287   10.183   37.374   14.138   39.270   14.678  127.400   39.100  129.388   39.862 -1.988167 55.83717 
1 1 1    0   18   44 o   65.152   27.658   5.9455   8.1223   2.6363   11.239   9.5627   11.751   64.074   29.471   73.862   32.309 -9.787842 43.73152 
1 1 1    0   18   45 o   88.583   31.557   16.975   9.1251   19.045   12.470   14.589   13.388   86.620   35.293   78.691   34.452 7.929543 49.32092 
1 1 1    0   18   46 o   68.031   32.344   7.4003   15.537   24.780   23.074  -7.0160   21.015   79.109   38.089   62.890   31.411 16.21871 49.36982 
1 1 1    0   19    1 o  441.662   10.812  253.043   12.369  266.076   17.945  241.249   17.072  452.529   15.309  430.902   15.295 21.62726 21.64044 
1 1 1    0   19    2 o  191.735   18.837   48.297   9.2345   42.486   13.408   53.542   12.737  177.635   30.221  200.959   25.010 -23.32402 39.22780 
1 1 1    0   19    3 o  392.198   11.392  199.569   11.573  200.488   16.427  198.664   16.307  392.753   16.147  390.967   16.102 1.786163 22.80316 
1 1 1    0   19    4 o  347.012   13.022  156.314   11.705  173.261   17.419  142.359   15.806  364.454   18.512  330.260   18.552 34.19327 26.20774 
1 1 1    0   19    5 o  863.482   11.817  967.464   26.430  962.712   37.321  972.245   37.435  860.554   16.743  864.810   16.711 -4.256287 23.65540 
1 1 1    0   19    6 o  433.871   12.426  244.304   13.965  223.736   20.319  262.718   19.226  414.647   18.918  449.573   16.510 -34.92618 25.10930 
1 1 1    0   19    7 o   67.507   29.565  -2.2385   9.8656  -1.0971   13.755  -3.4477   14.158   82.375   35.500   80.340   35.295 2.034958 50.06028 
1 1 1    0   19    8 o  253.652   18.920   84.186   12.342   87.701   17.513   80.719   17.395  257.668   26.623  246.889   27.677 10.77921 38.40279 
1 1 1    0   19    9 o  583.706   12.438  442.206   18.806  451.227   27.477  434.256   25.794  588.951   18.011  577.877   17.232 11.07343 24.92685 
1 1 1    0   19   10 o  1307.81   14.814  2222.03   50.186  2262.59   72.429  2184.57   69.602  1317.56   21.222  1294.83   20.752 22.73743 29.68212 
1 1 1    0   19   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   12 o  201.715   18.936   53.450   9.7782   53.780   13.701   53.108   13.960  200.900   27.012  199.461   27.773 1.439240 38.74253 
1 1 1    0   19   13 o  434.179   12.138  244.743   13.651  244.808   18.903  244.673   19.734  433.753   16.824  433.541   17.572 0.2112122 24.32797 
1 1 1    0   19   14 o  850.837   11.987  939.956   26.419  939.477   37.754  940.417   36.981  849.498   17.158  850.015   16.796 -0.5161133 24.01020 
1 1 1    0   19   15 f  163.508   27.443   36.031   11.211   49.007   16.798   25.609   15.055  189.387   35.548  137.112   39.948 52.27512 53.47439 
1 1 1    0   19   16 o  691.373   11.372  620.708   20.365  665.300   44.400  608.827   22.918  712.532   24.056  684.461   12.927 28.07019 27.30918 
1 1 1    0   19   17 o  502.470   11.710  327.987   15.242  353.400   35.269  322.151   16.902  517.749   26.385  497.789   13.108 19.95953 29.46180 
1 1 1    0   19   18 o  474.463   14.263  292.997   17.530  311.900   33.337  285.773   20.609  485.896   26.588  468.095   16.997 17.80182 31.55623 
1 1 1    0   19   19 o  410.208   15.640  219.361   16.618   0.0000   0.0000  219.361   16.618  ?   ?   410.208   15.640 0.000000 15.63985 
1 1 1    0   19   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   21 o  761.008   11.831  753.602   23.322  725.900   47.850  762.234   26.710  740.929   24.932  764.818   13.482 -23.88898 28.34379 
1 1 1    0   19   22 o  680.945   11.877  603.819   20.950  620.100   45.910  599.537   23.544  683.109   25.946  678.022   13.406 5.086365 29.20462 
1 1 1    0   19   23 o  290.378   14.040  110.176   10.561   77.790   29.319  115.004   11.321  228.526   50.841  296.540   14.738 -68.01451 52.93451 
1 1 1    0   19   24 o  281.542   15.800  104.343   11.476   96.610   29.774  105.692   12.437  255.896   46.636  282.991   17.046 -27.09509 49.65357 
1 1 1    0   19   25 f  212.970   18.042   60.341   9.8593   12.920   28.067   67.016   10.530  124.768   52.091  224.441   18.272 -99.67234 55.20292 
1 1 1    0   19   26 o   68.987   28.921   1.8736   8.7042   0.0000   0.0000   1.8736   8.7042  ?   ?    68.987   28.921 0.000000 28.92135 
1 1 1    0   19   27 o  189.285   22.574   48.952   10.850   0.0000   0.0000   48.952   10.850  ?   ?   189.285   22.574 0.000000 22.57366 
1 1 1    0   19   28 o   93.325   30.424   12.107   8.4458  -9.1370   26.134   14.585   8.9247   96.858   44.691  100.969   31.078 -4.111168 54.43514 
1 1 1    0   19   29 o  117.304   29.318   20.091   8.8837   32.970   19.782   16.837   9.9428  142.494   46.567  107.162   32.773 35.33203 56.94369 
1 1 1    0   19   30 o   87.163   29.448   10.503   7.8967   11.685   8.7275   5.1660   18.544   91.394   30.958   95.199   41.123 -3.805565 51.47348 
1 1 1    0   19   31 o   65.959   27.111   3.0671   7.4395   3.8790   21.694   2.9589   7.9197   97.419   43.203   67.176   27.827 30.24283 51.38895 
1 1 1    0   19   32 o   52.814   23.737  -2.0848   6.7814 -12.0600   11.028   3.9800   8.5992   55.980   26.790   70.738   29.120 -14.75828 39.56811 
1 1 1    0   19   33 o  151.240   18.830   31.791   7.2171   25.512   10.773   36.902   9.7207  127.068   32.578  159.750   24.253 -32.68242 40.61474 
1 1 1    0   19   34 o  183.942   17.307   46.649   8.1491   50.458   12.193   43.574   10.955  184.546   26.247  172.054   25.340 12.49135 36.48285 
1 1 1    0   19   35 o   72.393   26.128   7.2052   6.2761   7.6594   9.0642   6.7870   8.6986   77.782   30.627   75.198   29.877 2.583794 42.78614 
1 1 1    0   19   36 o  113.351   25.694   19.705   7.3698   37.441   11.868   8.5742   9.4021  152.499   31.099   79.621   31.243 72.87743 44.08256 
1 1 1    0   19   37 o  124.353   24.184   23.453   7.5095   24.151   11.032   22.850   10.251  117.618   34.177  115.645   32.740 1.973427 47.32819 
1 1 1    0   19   38 o   68.659   28.123   5.3862   7.9710   0.6373   11.747   9.4389   10.852   68.350   30.931   80.915   32.940 -12.56542 45.18601 
1 1 1    0   19   39 o   60.326   26.739   1.1593   8.2999 -11.0453   11.896   12.735   11.586   55.732   26.960   86.079   34.391 -30.34714 43.69883 
1 1 1    0   19   40 o   63.421   27.827   2.8902   8.7756   2.8419   9.9998   3.0520   18.304   65.695   29.224   76.806   36.086 -11.11060 46.43522 
1 1 1    0   19   41 o   88.907   34.400   16.031   11.274 -18.9000   22.955   27.137   12.943   67.176   33.435  110.516   37.700 -43.33968 50.39042 
1 1 1    0   19   42 o  131.222   32.409   33.105   10.951   29.387   14.391   38.220   16.879  108.403   39.497  117.929   42.805 -9.526146 58.24374 
1 1 1    0   19   43 o  119.049   26.014   24.547   7.7980   23.635   11.243   25.391   10.825  102.226   35.131  108.202   34.366 -5.976212 49.14494 
1 1 1    0   19   44 o   58.470   26.665   1.9694   8.9421   16.540   13.125 -10.6507   12.216   81.873   34.967   52.558   25.830 29.31483 43.47287 
1 1 1    0   19   45 f   75.720   30.590   12.682   9.2775   20.925   13.097   4.3797   13.144   85.550   35.639   64.404   30.358 21.14549 46.81657 
1 1 1    0   20    0 o  193.392   32.181   50.067   15.555   61.330   22.340   39.470   21.670  212.701   42.038  170.697   47.350 42.00336 63.31837 
1 1 1    0   20    1 o  437.655   12.966  248.654   14.699  227.095   20.664  270.733   20.912  417.682   19.100  456.214   17.696 -38.53162 26.03728 
1 1 1    0   20    2 o  588.006   11.862  448.676   18.067  453.407   25.844  444.155   25.266  590.504   16.896  584.477   16.689 6.027344 23.74849 
1 1 1    0   20    3 o  659.114   12.028  563.792   20.536  565.130   29.280  562.496   28.810  659.210   17.148  657.709   16.911 1.501221 24.08351 
1 1 1    0   20    4 o  378.512   14.888  186.136   14.597  197.583   21.508  176.361   19.875  388.750   21.442  367.290   20.978 21.45956 29.99735 
1 1 1    0   20    5 o  160.308   26.564   34.484   10.644   58.635   16.288   16.484   14.062  209.182   30.999  115.672   39.296 93.51013 50.05166 
1 1 1    0   20    6 o  463.062   12.963  278.387   15.548  274.081   22.193  282.539   21.790  458.870   18.671  465.972   18.053 -7.101624 25.97178 
1 1 1    0   20    7 o  436.135   18.183  247.559   20.542   0.0000   0.0000  247.559   20.542  ?   ?   436.135   18.183 0.000000 18.18307 
1 1 1    0   20    8 o  549.179   12.100  391.488   17.213  390.735   24.834  392.184   23.880  547.984   17.496  549.100   16.789 -1.116333 24.24814 
1 1 1    0   20    9 o  831.830   12.086  898.245   26.042  906.936   37.214  889.904   36.457  834.853   17.209  827.019   17.018 7.833923 24.20236 
1 1 1    0   20   10 o  580.622   11.622  437.602   17.479  444.302   24.780  430.968   24.659  584.406   16.370  575.544   16.540 8.862915 23.27106 
1 1 1    0   20   11 o  452.676   12.240  266.091   14.352  272.117   20.865  260.678   19.773  457.135   17.621  447.499   17.058 9.635712 24.52480 
1 1 1    0   20   12 o  533.539   11.868  369.639   16.402  376.214   23.922  363.806   22.531  537.501   17.182  528.682   16.453 8.818787 23.78888 
1 1 1    0   20   13 o  317.363   14.795  131.006   12.162  126.207   17.626  135.368   16.804  309.921   22.100  321.377   20.291 -11.45609 30.00217 
1 1 1    0   20   14 o  618.992   11.991  497.732   19.227  487.123   27.161  508.388   27.221  611.401   17.150  624.676   16.823 -13.27460 24.02355 
1 1 1    0   20   15 o  258.046   17.378   87.212   11.548   83.488   17.047   90.370   15.698  250.546   26.678  261.534   23.421 -10.98706 35.49960 
1 1 1    0   20   16 o  430.428   15.210  241.304   16.958  206.600   31.885  254.992   20.025  393.479   31.549  442.069   17.488 -48.59006 36.07136 
1 1 1    0   20   17 o  233.322   25.757   72.570   15.307   56.770   23.250   84.660   20.337  200.193   45.825  250.394   32.094 -50.20093 55.94563 
1 1 1    0   20   18 o  376.115   17.763  184.904   17.306   0.0000   0.0000  184.904   17.306  ?   ?   376.115   17.763 0.000000 17.76306 
1 1 1    0   20   19 o  583.395   13.609  443.458   20.566  414.400   38.266  455.261   24.388  559.348   26.411  590.450   15.946 -31.10156 30.85112 
1 1 1    0   20   20 o  550.583   11.520  394.524   16.430  408.200   37.024  391.171   18.334  554.695   25.768  547.897   12.918 6.798279 28.82506 
1 1 1    0   20   21 o  395.033   12.510  203.434   12.801  203.600   32.768  203.404   13.906  386.536   33.045  394.771   13.599 -8.234528 35.73350 
1 1 1    0   20   22 o  297.277   15.288  116.050   11.733   61.240   29.375  126.453   12.798  199.587   55.038  310.153   15.984 -110.5656 57.31178 
1 1 1    0   20   23 o  102.159   29.057   14.557   8.0547   36.640   27.412   12.471   8.4267  157.232   54.808   95.856   30.308 61.37694 62.62968 
1 1 1    0   20   24 o  131.861   28.078   24.492   9.2965   49.420   27.381   21.244   9.8835  175.858   54.487  121.924   31.174 53.93397 62.77457 
1 1 1    0   20   25 o  113.275   31.590   18.456   9.6183   0.0000   0.0000   18.456   9.6183  ?   ?   113.275   31.590 0.000000 31.58988 
1 1 1    0   20   26 o  201.180   17.259   54.137   8.9068   0.0000   0.0000   54.137   8.9068  ?   ?   201.180   17.259 0.000000 17.25882 
1 1 1    0   20   27 f  284.952   15.399  107.855   11.324  149.600   31.801  101.794   12.118  315.284   39.827  276.038   17.031 39.24576 43.31605 
1 1 1    0   20   28 o  138.640   27.689   27.681   9.5955   22.740   26.797   28.407   10.277  127.521   51.821  139.694   29.335 -12.17290 59.54797 
1 1 1    0   20   29 o  224.629   24.648   70.719   14.106   75.130   26.807   69.030   16.588  208.519   50.228  217.943   30.194 -9.423706 58.60490 
1 1 1    0   20   30 o  129.859   26.463   24.560   8.5994   37.130   18.951   21.300   9.6501  146.847   45.301  118.599   31.048 28.24832 54.92004 
1 1 1    0   20   31 o   84.884   33.801   8.3060   11.156   0.0000   0.0000   8.3060   11.156  ?   ?    84.884   33.801 0.000000 33.80131 
1 1 1    0   20   32 o   76.845   26.619   8.2444   6.4613   13.701   8.9729   2.3686   9.3117   94.739   31.382   68.737   29.407 26.00182 43.00724 
1 1 1    0   20   33 f   86.517   27.453   11.294   6.9092   16.153   10.680   7.7968   9.0603  100.188   34.246   78.648   30.724 21.54045 46.00783 
1 1 1    0   20   34 o  158.650   17.811   35.157   7.1930   45.040   10.923   27.590   9.5579  174.170   24.922  133.008   28.592 41.16132 37.92929 
1 1 1    0   20   35 o   69.405   26.780   6.0833   6.8181   10.841   11.099   3.1997   8.6406   86.027   33.885   66.832   28.453 19.19473 44.24670 
1 1 1    0   20   36 o   62.111   25.719   3.4497   6.7616   4.1868   9.1680   2.5705   10.012   69.248   29.390   68.246   29.839 1.001915 41.88224 
1 1 1    0   20   37 o  100.174   29.433   16.814   8.1419   13.203   11.928   19.964   11.141   88.722   35.070  104.370   34.980 -15.64780 49.53279 
1 1 1    0   20   38 o  171.622   20.187   43.405   8.8026   50.455   12.277   35.946   12.628  176.330   27.801  139.551   34.996 36.77930 44.69461 
1 1 1    0   20   39 f  132.518   27.510   29.325   9.1342   32.181   13.033   26.568   12.805  125.219   37.353  112.233   37.502 12.98513 52.93080 
1 1 1    0   20   40 o   96.628   38.561   22.034   14.548   22.360   22.486   21.800   19.080   91.642   41.979   92.509   40.796 -0.8679199 58.53649 
1 1 1    0   20   41 o  184.346   22.602   54.032   10.567   69.280   16.031   42.316   14.052  189.128   33.971  138.887   37.970 50.24066 50.94870 
1 1 1    0   20   42 o   87.938   30.785   15.629   8.6530   11.079   13.843   18.548   11.086   76.200   34.104   90.410   34.327 -14.20998 48.38869 
1 1 1    0   20   43 o   52.414   24.409  -1.1275   8.0725  -5.0096   12.919   1.3590   10.339   57.805   27.995   59.861   27.792 -2.056274 39.44761 
1 1 1    0   20   44 o   69.967   28.917   9.6928   8.5247   17.240   11.251  -0.4823   13.063   82.315   33.529   60.072   28.855 22.24290 44.23574 
1 1 1    0   21    1 o  302.524   15.703  119.310   12.263  122.438   17.287  116.142   17.399  305.532   21.990  297.396   22.759 8.135803 31.64703 
1 1 1    0   21    2 o  316.341   15.157  130.080   12.420  114.985   17.790  144.436   17.348  295.777   23.411  332.261   20.254 -36.48425 30.95620 
1 1 1    0   21    3 o  134.737   28.493   24.696   9.6334   17.817   13.845   31.153   13.412  118.249   38.974  150.683   35.028 -32.43421 52.40126 
1 1 1    0   21    4 o  663.203   11.540  570.893   19.824  574.377   28.489  567.623   27.603  664.463   16.552  660.618   16.131 3.844238 23.11253 
1 1 1    0   21    5 f  667.563   11.639  578.472   20.126  575.383   28.886  581.386   28.058  664.974   16.770  668.538   16.202 -3.563416 23.31812 
1 1 1    0   21    6 o  826.423   11.954  886.713   25.589  878.007   36.589  895.048   35.802  821.287   17.199  829.346   16.665 -8.059021 23.94865 
1 1 1    0   21    7 o  697.883   16.647  633.867   30.093  633.867   30.093   0.0000   0.0000  697.883   16.647  ?   ?  0.000000 16.64674 
1 1 1    0   21    8 o  274.515   16.805   98.466   11.892   99.613   17.043   97.377   16.602  274.840   24.186  271.787   23.823 3.052094 33.94865 
1 1 1    0   21    9 o  405.269   13.444  213.449   14.113  207.092   20.689  218.981   19.300  397.844   20.142  409.907   18.177 -12.06247 27.13107 
1 1 1    0   21   10 o  234.132   18.647   71.932   11.215   47.381   17.967   87.605   14.355  185.293   38.683  257.988   21.682 -72.69504 44.34492 
1 1 1    0   21   11 o  217.657   19.100   62.289   10.660   46.436   17.793   71.164   13.314  183.268   38.696  232.144   22.420 -48.87590 44.72132 
1 1 1    0   21   12 o  265.949   17.937   92.668   12.284   98.412   18.386   88.035   16.511  272.341   26.394  257.767   25.044 14.57449 36.38466 
1 1 1    0   21   13 o  233.936   20.019   72.057   12.014   79.665   17.562   65.364   16.471  244.179   28.290  220.547   29.578 23.63226 40.92854 
1 1 1    0   21   14 o  302.424   15.556  119.490   12.144  114.372   18.408  123.434   16.161  293.997   24.392  306.430   20.478 -12.43292 31.84817 
1 1 1    0   21   15 o  114.391   39.690   16.218   14.367   8.4610   25.119   19.990   17.515  120.563   49.715  126.161   43.820 -5.597374 66.27079 
1 1 1    0   21   16 o  240.367   26.177   77.188   16.035   79.930   27.863   75.830   19.607  237.270   46.998  236.154   32.951 1.115280 57.39813 
1 1 1    0   21   17 o  152.417   52.933   30.920   25.557   0.0000   0.0000   30.920   25.557  ?   ?   152.417   52.933 0.000000 52.93287 
1 1 1    0   21   18 o  186.846   20.709   46.450   9.8545   20.240   24.838   51.346   10.736  134.528   51.310  196.376   21.454 -61.84837 55.61446 
1 1 1    0   21   19 o  189.080   19.975   47.549   9.6351   64.770   25.823   44.764   10.385  210.219   48.421  182.777   22.404 27.44214 53.35267 
1 1 1    0   21   20 o  339.330   14.068  150.494   12.365  117.100   30.943  156.840   13.489  286.335   43.052  346.186   15.043 -59.85098 45.60397 
1 1 1    0   21   21 o  699.248   11.944  638.086   21.634  655.400   48.447  633.773   24.179  698.111   26.791  696.197   13.408 1.914063 29.95880 
1 1 1    0   21   22 o  169.236   21.464   38.704   9.1977 -11.3800   24.269   47.105   9.9392   94.455   43.394  187.135   20.859 -92.68021 48.14735 
1 1 1    0   21   23 f  140.003   26.372   27.400   9.2131   41.240   22.846   24.712   10.068  162.129   49.694  131.528   30.190 30.60023 58.14608 
1 1 1    0   21   24 o  114.437   29.922   18.854   8.9698   0.0000   0.0000   18.854   8.9698  ?   ?   114.437   29.922 0.000000 29.92191 
1 1 1    0   21   25 o   72.070   29.958   2.8999   9.2249   0.0000   0.0000   2.8999   9.2249  ?   ?    72.070   29.958 0.000000 29.95750 
1 1 1    0   21   26 o   63.985   27.495   0.5682   8.2052   2.4970   21.812   0.2502   8.8556   98.945   43.627   65.617   28.381 33.32878 52.04626 
1 1 1    0   21   27 o   38.356   18.831 -12.3384   6.4415  -4.3530   19.414 -13.3262   6.8283   86.616   39.419   39.213   19.280 47.40236 43.88149 
1 1 1    0   21   28 o  181.452   29.161   47.942   13.242   53.850   23.598   45.227   15.998  174.647   49.756  170.361   37.288 4.286362 62.17765 
1 1 1    0   21   29 o  142.782   50.828   37.630   23.669   37.630   23.669   0.0000   0.0000  142.782   50.828  ?   ?  0.000000 50.82809 
1 1 1    0   21   30 o  193.949   26.365   54.708   12.902   0.0000   0.0000   54.708   12.902  ?   ?   193.949   26.365 0.000000 26.36487 
1 1 1    0   21   31 o  129.187   26.309   24.913   8.5046   31.730   21.554   23.656   9.2556  128.171   48.042  123.901   29.299 4.269745 56.27107 
1 1 1    0   21   32 o   50.726   23.440  -4.0183   7.2286 -16.3700   19.080  -1.9483   7.8109   71.211   34.374   56.062   25.310 15.14842 42.68673 
1 1 1    0   21   33 o   74.358   29.665   6.6605   8.6077  -5.6890   21.673   8.9732   9.3791   81.799   38.688   80.773   31.341 1.026115 49.78942 
1 1 1    0   21   34 o   58.552   26.208  -0.6545   8.1766 -19.7100   19.125   3.6079   9.0450   67.513   33.000   68.335   29.102 -0.8217926 43.99910 
1 1 1    0   21   35 f  159.052   19.079   36.244   7.7036   38.276   10.554   33.929   11.270  156.493   27.013  142.906   31.310 13.58627 41.35291 
1 1 1    0   21   36 o   53.422   24.509  -2.4065   7.7052  -5.0655   11.418  -0.1828   10.441   60.658   28.500   64.129   29.078 -3.471210 40.71582 
1 1 1    0   21   37 o   49.391   22.861  -2.9703   6.9183  -5.3346   8.8924   0.6552   11.012   52.789   24.910   65.513   29.766 -12.72409 38.81392 
1 1 1    0   21   38 o   56.538   25.805  -0.7756   8.3957  -2.8557   12.131   1.1368   11.632   62.511   29.372   66.036   30.229 -3.525234 42.14848 
1 1 1    0   21   39 o  128.030   39.807   37.618   14.600   42.370   22.020   33.890   19.503  113.142   46.589  106.732   43.885 6.409843 64.00369 
1 1 1    0   21   40 o  177.197   24.696   51.848   11.027   65.200   18.975   45.039   13.551  160.602   44.213  147.581   35.811 13.02127 56.89663 
1 1 1    0   21   41 o   84.322   33.304   15.675   10.749   4.3301   13.859   32.800   17.028   68.272   31.857  102.974   41.497 -34.70134 52.31514 
1 1 1    0   21   42 o   63.736   29.400   3.7347   11.297   0.0000   0.0000   3.7347   11.297  ?   ?    63.736   29.400 0.000000 29.39994 
1 1 1    0   21   43 o   49.015   23.338  -3.2640   8.1508 -11.7072   13.035   2.1575   10.445   52.111   25.809   59.414   27.701 -7.303513 37.86066 
1 1 1    0   21   44 o   61.206   27.573   5.8004   9.2130   1.1785   13.375   9.9740   12.709   59.668   28.797   67.583   31.177 -7.914654 42.44143 
1 1 1    0   22    0 o  734.343   16.744  700.276   31.850  685.700   45.320  714.500   44.770  725.630   24.111  740.841   23.330 -15.21118 33.55045 
1 1 1    0   22    1 o  592.145   11.826  455.331   18.139  428.134   25.838  481.762   25.472  573.306   17.399  608.391   16.163 -35.08527 23.74802 
1 1 1    0   22    2 o  627.386   11.470  511.071   18.641  507.819   26.846  514.099   25.903  624.532   16.595  628.514   15.911 -3.982605 22.98993 
1 1 1    0   22    3 o  581.393   11.431  438.891   17.215  471.684   25.020  409.413   23.722  601.987   16.046  560.795   16.330 41.19250 22.89413 
1 1 1    0   22    4 o  694.954   11.838  627.230   21.309  578.157   29.514  680.673   30.799  666.221   17.102  723.033   16.445 -56.81238 23.72611 
1 1 1    0   22    5 o  480.294   12.696  299.736   15.795  290.538   22.932  308.037   21.786  471.968   18.758  486.228   17.298 -14.26056 25.51618 
1 1 1    0   22    6 o  584.320   12.115  443.543   18.337  441.047   26.740  445.758   25.192  581.667   17.748  584.998   16.625 -3.330200 24.31828 
1 1 1    0   22    7 o  470.352   12.673  287.508   15.440  266.288   22.693  305.799   21.069  451.629   19.398  484.459   16.789 -32.83020 25.65480 
1 1 1    0   22    8 f  500.854   12.641  326.041   16.400  326.525   24.365  325.640   22.175  500.159   18.807  499.812   17.128 0.3473816 25.43771 
1 1 1    0   22    9 o  162.954   27.750   35.924   11.293   40.466   17.127   32.431   15.022  170.478   39.551  152.783   38.090 17.69514 54.90980 
1 1 1    0   22   10 o  462.327   12.793  277.928   15.321  275.379   23.215  279.895   20.392  459.001   19.526  463.263   16.994 -4.261932 25.88492 
1 1 1    0   22   11 o  163.352   28.314   36.215   11.546   36.588   17.115   35.903   15.642  161.618   40.860  160.470   38.184 1.148117 55.92500 
1 1 1    0   22   12 o  257.479   21.142   87.462   13.976   73.600   23.082   95.486   17.561  230.502   40.117  268.002   25.608 -37.49989 47.59332 
1 1 1    0   22   13 o  128.896   42.884   21.843   16.749   36.720   25.741   10.920   22.057  162.935   53.114  118.008   47.345 44.92692 71.15219 
1 1 1    0   22   14 o  133.048   42.697   23.957   16.676   37.770   24.141   11.350   23.063  163.666   51.236  120.102   48.332 43.56433 70.43473 
1 1 1    0   22   15 o  307.656   22.517  125.309   17.819  141.700   24.469  106.800   26.001  324.868   29.396  278.762   36.918 46.10699 47.19131 
1 1 1    0   22   16 o   84.821   34.380   4.6507   11.761   27.368   18.603 -10.4735   15.179  140.607   45.094   74.094   34.143 66.51293 56.56159 
1 1 1    0   22   17 o  501.858   12.682  328.343   16.486  297.641   24.471  353.859   22.309  475.568   19.865  519.795   16.569 -44.22690 25.86753 
1 1 1    0   22   18 o   73.963   30.096   3.3330   9.0534   20.560   25.503   0.8490   9.6842  134.107   51.780   71.133   30.199 62.97433 59.94230 
1 1 1    0   22   19 o  374.156   13.210  182.954   12.803  151.400   32.023  188.957   13.968  327.854   38.437  379.982   14.191 -52.12799 40.97351 
1 1 1    0   22   20 o  327.440   13.882  140.461   11.774  163.200   29.122  136.018   12.873  342.560   33.238  321.784   15.444 20.77573 36.65122 
1 1 1    0   22   21 o  142.626   24.043   28.048   8.5667   19.130   25.045   29.230   9.1166  127.714   50.711  145.286   25.135 -17.57175 56.59793 
1 1 1    0   22   22 o  288.174   14.542  109.602   10.820   67.020   30.578  115.697   11.568  199.553   56.564  295.866   15.146 -96.31244 58.55696 
1 1 1    0   22   23 o   73.548   30.153   3.6462   9.1739   0.0000   0.0000   3.6462   9.1739  ?   ?    73.548   30.153 0.000000 30.15298 
1 1 1    0   22   24 o   66.203   27.803   1.8851   8.0668   0.0000   0.0000   1.8851   8.0668  ?   ?    66.203   27.803 0.000000 27.80274 
1 1 1    0   22   25 o  109.968   30.201   17.787   8.8658   35.610   28.476   15.874   9.3295  144.605   54.990  104.094   31.728 40.51071 63.48714 
1 1 1    0   22   26 o   54.323   25.118  -5.4389   8.3197 -23.0600   24.554  -3.1535   8.8427   82.153   39.488   59.553   26.904 22.59976 47.78187 
1 1 1    0   22   27 o  159.101   31.494   37.938   12.520   35.030   25.389   38.872   14.391  139.392   52.162  157.910   35.986 -18.51826 63.37039 
1 1 1    0   22   28 o  160.605   24.978   37.081   10.054   40.920   24.575   36.310   11.018  146.075   51.814  156.884   28.147 -10.80940 58.96538 
1 1 1    0   22   29 o  216.175   24.390   67.077   13.419   0.0000   0.0000   67.077   13.419  ?   ?   216.175   24.390 0.000000 24.39012 
1 1 1    0   22   30 o   92.540   30.442   13.153   8.4486   21.110   20.704   11.563   9.2542  111.317   45.429   88.401   31.749 22.91613 55.42344 
1 1 1    0   22   31 f   96.647   30.276   14.822   8.4277   32.090   22.401   11.975   9.0959  123.880   48.333   88.471   31.508 35.40941 57.69596 
1 1 1    0   22   32 o   66.462   27.648   3.8998   7.8656  -0.3253   22.897   4.4651   8.3753   86.691   40.612   68.836   28.573 17.85462 49.65646 
1 1 1    0   22   33 o   55.736   24.965  -0.8043   7.4340   15.100   17.930  -4.1058   8.1693   96.120   40.956   53.230   24.710 42.88996 47.83295 
1 1 1    0   22   34 o   99.699   29.941   16.638   8.3533  -2.8610   20.807   20.385   9.1206   79.537   37.702  109.734   30.818 -30.19716 48.69513 
1 1 1    0   22   35 o   77.407   28.864   9.2810   7.7611   27.670   20.500   6.2042   8.3853  107.951   44.747   70.615   28.875 37.33559 53.25481 
1 1 1    0   22   36 o   65.535   28.740   3.1097   9.3503   4.5110   19.260   2.6776   10.695   80.141   37.448   67.405   30.086 12.73608 48.03686 
1 1 1    0   22   37 o  107.384   33.712   22.528   10.443   21.500   21.970   22.828   11.870   93.203   42.228  104.591   36.088 -11.38787 55.54773 
1 1 1    0   22   38 f   67.716   28.844   6.0800   8.8875  -0.9000   10.126   29.500   18.548   59.300   27.522  101.232   42.312 -41.93191 50.47552 
1 1 1    0   22   39 o   66.510   29.796   4.8614   10.593   10.980   23.284   3.2646   11.895   79.064   38.116   66.008   30.345 13.05572 48.72046 
1 1 1    0   22   40 o   52.226   24.842  -3.8278   9.1859  -3.5569   11.132  -4.4060   16.263   56.555   27.024   63.285   30.823 -6.729122 40.99193 
1 1 1    0   22   41 o  111.868   30.589   25.316   9.1184   5.0295   13.609   41.844   12.284   66.797   31.297  139.581   34.235 -72.78400 46.38489 
1 1 1    0   22   42 o   95.041   31.103   20.051   8.8239   34.419   13.964   10.500   11.385  107.505   38.947   70.508   31.282 36.99664 49.95435 
1 1 1    0   22   43 o   46.641   22.091  -2.2251   7.1157 -13.1160   9.5580   11.316   10.658   43.179   21.505   69.516   30.580 -26.33791 37.38412 
1 1 1    0   23    1 o  461.762   12.873  277.217   15.397  292.763   22.790  264.163   20.884  473.553   18.580  449.952   17.919 23.60095 25.81223 
1 1 1    0   23    2 o  564.344   12.052  413.883   17.618  409.289   25.392  418.148   24.464  560.156   17.500  566.371   16.676 -6.215088 24.17285 
1 1 1    0   23    3 o  487.026   12.554  308.346   15.837  297.227   22.745  318.812   22.066  477.149   18.402  494.413   17.230 -17.26413 25.20948 
1 1 1    0   23    4 o  510.511   12.611  338.835   16.676  347.335   23.998  330.898   23.191  515.865   17.959  503.550   17.780 12.31583 25.27144 
1 1 1    0   23    5 o  553.920   12.487  398.911   17.916  361.548   25.341  436.251   25.333  526.119   18.595  578.344   16.910 -52.22485 25.13424 
1 1 1    0   23    6 o  542.396   12.558  382.543   17.643  384.989   25.914  380.430   24.088  542.885   18.428  539.952   17.223 2.933228 25.22312 
1 1 1    0   23    7 o  517.271   12.749  348.013   17.082  330.044   24.573  364.816   23.762  502.474   18.879  528.659   17.352 -26.18533 25.64228 
1 1 1    0   23    8 f  379.559   14.583  187.662   14.338  173.763   20.858  200.112   19.741  363.191   22.279  391.066   19.488 -27.87561 29.59933 
1 1 1    0   23    9 o  595.866   12.438  461.870   19.198  430.405   27.817  490.484   26.527  573.628   18.721  612.970   16.707 -39.34265 25.09225 
1 1 1    0   23   10 o   68.731   32.389 -15.5905   14.942 -17.3500   22.401 -14.1800   20.056   88.050   40.889   84.734   39.116 3.315948 56.58630 
1 1 1    0   23   11 o  173.743   46.607   43.220   21.409   0.0000   0.0000   43.220   21.409  ?   ?   173.743   46.607 0.000000 46.60697 
1 1 1    0   23   12 o  266.353   31.931   96.220   21.591   96.220   21.591   0.0000   0.0000  266.353   31.931  ?   ?  0.000000 31.93064 
1 1 1    0   23   13 o  335.196   19.038  147.872   16.462  129.487   20.713  179.400   27.124  311.455   25.909  365.697   28.868 -54.24243 38.79030 
1 1 1    0   23   14 o   54.849   26.423 -16.3727   11.141 -13.0775   15.869 -19.5757   15.646   73.513   34.230   67.203   32.091 6.310501 46.92073 
1 1 1    0   23   15 o  266.794   18.807   94.022   12.914  106.424   19.810   84.856   17.030  280.910   27.580  250.922   26.608 29.98814 38.32288 
1 1 1    0   23   16 o  211.200   21.147   59.537   11.414   52.323   16.825   65.687   15.535  193.007   34.939  219.637   27.938 -26.63057 44.73570 
1 1 1    0   23   17 o   80.093   33.356   2.9179   11.468  -6.0833   18.427   8.6086   14.651   86.768   39.050   97.867   38.810 -11.09904 55.05572 
1 1 1    0   23   18 o  352.177   17.017  163.420   15.523  155.000   30.925  166.257   17.949  331.360   36.642  353.704   19.668 -22.34363 41.58722 
1 1 1    0   23   19 o  248.838   15.332   81.772   9.8343   72.230   25.755   83.401   10.641  217.250   47.122  250.948   16.460 -33.69762 49.91468 
1 1 1    0   23   20 o  176.880   22.211   42.636   9.9523   48.060   28.641   41.892   10.614  170.408   56.050  174.554   24.118 -4.146545 61.01834 
1 1 1    0   23   21 o   58.180   25.408  -0.7622   7.2407 -47.9400   27.612   2.7217   7.5033   77.638   38.287   66.449   27.259 11.18904 46.99933 
1 1 1    0   23   22 o  288.764   16.615  111.229   12.375   0.0000   0.0000  111.229   12.375  ?   ?   288.764   16.615 0.000000 16.61467 
1 1 1    0   23   23 o  219.276   20.006   65.397   11.238   0.0000   0.0000   65.397   11.238  ?   ?   219.276   20.006 0.000000 20.00630 
1 1 1    0   23   24 o  129.693   25.079   24.014   8.1203   24.580   20.886   23.913   8.8137  125.552   47.246  128.384   27.341 -2.832314 54.58679 
1 1 1    0   23   25 o   62.102   27.151  -0.2703   8.2893   5.1520   18.196  -1.6902   9.3116   93.595   40.582   63.193   28.149 30.40231 49.38888 
1 1 1    0   23   26 o   92.627   36.246   10.808   12.626   55.340   20.166 -17.9060   16.193  181.203   43.513   66.193   31.879 115.0102 53.94115 
1 1 1    0   23   27 o  115.767   27.743   20.107   8.2107   18.480   22.416   20.360   8.8239  112.140   46.663  115.653   29.393 -3.513596 55.14890 
1 1 1    0   23   28 o  169.664   27.529   42.902   11.684   0.0000   0.0000   42.902   11.684  ?   ?   169.664   27.529 0.000000 27.52934 
1 1 1    0   23   29 f  208.184   17.975   60.082   9.5978   68.300   25.295   58.700   10.374  181.586   51.437  204.311   19.852 -22.72493 55.13534 
1 1 1    0   23   30 o  221.407   17.949   68.344   10.205   51.890   24.871   71.675   11.191  149.438   52.199  225.494   19.346 -76.05586 55.66897 
1 1 1    0   23   31 o   80.838   30.340   9.6495   8.6019   26.100   20.349   6.0705   9.4916  112.115   45.300   73.940   30.532 38.17461 54.62896 
1 1 1    0   23   32 o   87.208   29.586   12.303   7.9712   41.990   20.961   7.2832   8.6188  133.953   47.816   74.450   29.690 59.50302 56.28399 
1 1 1    0   23   33 o   97.220   29.207   15.801   7.9475   24.280   21.710   14.489   8.5404  104.551   44.820   92.464   30.616 12.08681 54.27861 
1 1 1    0   23   34 o   42.572   20.822 -11.3370   7.6514   15.720   18.687 -16.7869   8.3867   92.307   40.551   40.911   20.338 51.39559 45.36536 
1 1 1    0   23   35 o   92.037   30.156   15.045   8.2938   13.450   19.871   15.381   9.1268   87.730   39.908   91.863   31.648 -4.133812 50.93371 
1 1 1    0   23   36 o  106.327   30.488   20.731   8.8318   18.520   22.120   21.150   9.6329   89.462   41.222  105.146   32.275 -15.68352 52.35368 
1 1 1    0   23   37 o   60.226   26.966   2.1536   8.6638   0.8951   15.589   2.7160   10.421   68.918   32.659   64.116   29.064 4.801712 43.71831 
1 1 1    0   23   38 o   45.343   22.488 -15.0399   10.022 -15.0200   22.293 -15.0450   11.220   64.964   32.432   48.340   23.942 16.62418 40.31197 
1 1 1    0   23   39 o   54.715   27.274 -16.9800   15.514   0.0000   0.0000 -16.9800   15.514  ?   ?    54.715   27.274 0.000000 27.27381 
1 1 1    0   23   40 o   62.990   27.580   5.7041   8.5808   12.431   13.645   1.3038   11.036   74.241   33.490   59.901   28.104 14.33996 43.72022 
1 1 1    0   23   41 o   48.129   22.781  -2.4470   7.5418  -7.3422   10.343   3.1104   11.021   49.695   24.286   60.527   28.298 -10.83171 37.29008 
1 1 1    0   23   42 f   72.312   29.637   12.305   8.8594   22.542   13.572   4.7050   11.694   82.212   35.346   61.022   28.725 21.19053 45.54637 
1 1 1    0   24    0 o  264.100   23.531   91.755   15.929   86.560   23.801   95.970   21.438  253.451   37.375  268.572   31.409 -15.12131 48.82088 
1 1 1    0   24    1 o  118.816   31.766   19.466   9.9652   21.894   15.076   17.582   13.280  127.584   40.560  116.008   38.167 11.57546 55.69388 
1 1 1    0   24    2 o  247.568   17.031   80.415   10.855   76.335   16.364   83.622   14.507  238.867   26.916  251.295   22.525 -12.42778 35.09753 
1 1 1    0   24    3 o  147.101   28.684   29.626   10.537   24.287   15.035   34.779   14.771  132.963   40.222  157.772   36.816 -24.80901 54.52784 
1 1 1    0   24    4 o  495.859   12.492  319.931   16.046  303.275   22.836  336.172   22.550  481.497   18.310  507.245   17.162 -25.74768 25.09574 
1 1 1    0   24    5 o  157.764   32.149   34.370   12.692   31.310   23.492   35.631   15.083  151.957   50.795  159.510   37.190 -7.552704 62.95444 
1 1 1    0   24    6 o  253.044   22.119   84.818   14.352   89.130   27.033   83.125   16.936  252.198   42.918  249.248   26.645 2.950073 50.51632 
1 1 1    0   24    7 o   94.007   41.622  -4.5440   20.055   0.0000   0.0000  -4.5440   20.055  ?   ?    94.007   41.622 0.000000 41.62188 
1 1 1    0   24    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24    9 o  509.286   26.271  345.000   34.539  345.000   34.539   0.0000   0.0000  509.286   26.271  ?   ?  0.000000 26.27139 
1 1 1    0   24   10 o  367.003   16.990  176.331   16.151  163.278   20.226  199.300   26.831  351.120   22.355  386.178   26.992 -35.05850 35.04710 
1 1 1    0   24   11 o  100.836   35.873   12.304   11.788   28.121   17.695  -0.3158   15.805  141.356   43.802   87.739   37.932 53.61716 57.94375 
1 1 1    0   24   12 f  251.159   18.337   83.294   11.847   70.750   19.475   90.662   14.927  225.926   34.360  260.928   22.299 -35.00197 40.96184 
1 1 1    0   24   13 o   59.950   27.485  -6.2538   9.6667   5.1781   14.582 -15.2158   12.911   92.348   37.956   61.903   29.446 30.44519 48.03936 
1 1 1    0   24   14 o  218.473   21.809   63.881   12.177   68.641   18.337   60.126   16.287  222.253   32.841  208.488   31.110 13.76530 45.23666 
1 1 1    0   24   15 o  173.689   28.458   41.742   12.360   36.513   18.584   45.889   16.551  156.985   43.957  178.788   36.959 -21.80257 57.43008 
1 1 1    0   24   16 o  327.224   15.728  140.817   13.331  121.101   19.686  157.516   18.117  298.736   25.690  343.732   20.440 -44.99664 32.82978 
1 1 1    0   24   17 o  113.235   34.540   18.278   11.053  -4.7327   16.193   38.355   15.125   81.465   36.641  161.791   36.907 -80.32612 52.00624 
1 1 1    0   24   18 o  381.255   14.761  191.476   14.577  182.064   20.683  200.766   20.548  367.549   21.822  386.846   20.580 -19.29739 29.99562 
1 1 1    0   24   19 o  287.369   14.751  109.268   10.943   66.210   29.599  116.086   11.778  196.640   55.621  295.933   15.418 -99.29253 57.71799 
1 1 1    0   24   20 o  318.936   13.629  134.131   11.259   95.100   25.354  143.719   12.566  249.935   40.553  329.652   14.717 -79.71635 43.14045 
1 1 1    0   24   21 o  298.900   15.674  119.064   12.093   0.0000   0.0000  119.064   12.093  ?   ?   298.900   15.674 0.000000 15.67440 
1 1 1    0   24   22 o  130.613   30.433   25.290   10.105   0.0000   0.0000   25.290   10.105  ?   ?   130.613   30.433 0.000000 30.43332 
1 1 1    0   24   23 o   75.998   29.721   6.1295   8.4856 -64.2900   26.175   14.400   8.9701   66.767   33.586   98.858   31.272 -32.09056 45.89055 
1 1 1    0   24   24 o  238.392   16.980   76.886   10.417   34.610   25.850   85.082   11.382  137.401   52.359  250.398   17.661 -112.9974 55.25784 
1 1 1    0   24   25 o  324.454   22.130  147.075   18.488  124.900   27.826  164.600   24.738  277.841   39.801  335.111   28.777 -57.27020 49.11484 
1 1 1    0   24   26 o  248.889   20.743   86.549   13.251   0.0000   0.0000   86.549   13.251  ?   ?   248.889   20.743 0.000000 20.74306 
1 1 1    0   24   27 o  228.361   18.869   72.496   11.062   0.0000   0.0000   72.496   11.062  ?   ?   228.361   18.869 0.000000 18.86915 
1 1 1    0   24   28 o  193.282   18.459   52.242   9.1292   34.100   23.744   55.389   9.8894  125.408   49.509  198.219   19.514 -72.81107 53.21569 
1 1 1    0   24   29 o  205.897   18.739   59.790   9.8847   31.170   20.560   68.394   11.273  120.515   46.502  218.988   20.098 -98.47240 50.65960 
1 1 1    0   24   30 o   88.336   31.037   12.676   8.7986   32.580   20.171   7.9993   9.7778  120.362   46.159   77.777   31.410 42.58442 55.83248 
1 1 1    0   24   31 f   55.309   25.178  -1.7624   7.9272  -1.5260   21.691  -1.7988   8.5164   81.168   38.481   57.071   26.025 24.09718 46.45552 
1 1 1    0   24   32 o   39.503   19.577 -14.6561   7.5415 -12.7800   20.352 -14.9548   8.1195   70.989   34.554   41.403   20.481 29.58644 40.16831 
1 1 1    0   24   33 o   65.271   27.050   4.8124   7.4891   24.230   17.749   0.6067   8.2604  102.463   41.967   59.036   26.389 43.42699 49.57433 
1 1 1    0   24   34 o   73.254   27.721   8.5155   7.2140   7.7420   21.183   8.6170   7.6726   82.248   38.700   73.755   28.422 8.492821 48.01556 
1 1 1    0   24   35 o   54.107   25.039  -1.7978   8.2930 -26.4400   21.247   2.6308   9.0074   61.839   30.988   62.275   27.717 -0.4362183 41.57526 
1 1 1    0   24   36 o   78.750   30.793   11.803   9.1079   28.620   16.569   4.5219   10.903  100.551   40.790   66.716   30.031 33.83468 50.65211 
1 1 1    0   24   37 o   75.827   31.776   11.404   10.500   28.280   23.071   6.9958   11.792   88.518   41.236   69.397   31.235 19.12084 51.73041 
1 1 1    0   24   38 o   93.154   34.504   21.161   11.054   0.0000   0.0000   21.161   11.054  ?   ?    93.154   34.504 0.000000 34.50445 
1 1 1    0   24   39 o   54.529   25.633  -0.5819   9.2557   27.280   23.060  -5.9324   10.105   81.536   38.942   50.859   24.662 30.67661 46.09459 
1 1 1    0   24   40 o   58.952   26.037   4.7702   7.8011   9.5540   18.036   3.6693   8.6523   68.676   33.216   58.137   26.403 10.53963 42.43121 
1 1 1    0   24   41 o   79.798   32.526   17.890   10.597   26.240   23.794   15.824   11.835   73.596   36.145   74.174   32.436 -0.5787582 48.56482 
1 1 1    0   24   42 o   46.295   22.836  -7.2997   9.8472 -26.8900   16.285   3.9911   12.363   47.070   23.977   58.107   27.953 -11.03638 36.82688 
1 1 1    0   25    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25    3 o  595.998   25.692  471.300   39.663  471.300   39.663   0.0000   0.0000  595.998   25.692  ?   ?  0.000000 25.69181 
1 1 1    0   25    4 o  359.664   29.770  174.200   27.486  174.200   27.486   0.0000   0.0000  359.664   29.770  ?   ?  0.000000 29.77040 
1 1 1    0   25    5 o  406.331   16.132  215.992   16.980  205.316   20.803  237.300   29.389  394.474   20.429  421.307   27.073 -26.83371 33.91601 
1 1 1    0   25    6 o  140.521   33.173   27.699   11.881   22.601   15.067   36.080   19.319  128.059   40.531  158.207   45.000 -30.14755 60.56266 
1 1 1    0   25    7 o  127.355   32.479   22.742   10.748   31.116   16.836   16.982   13.963  147.487   42.030  114.338   39.156 33.14894 57.44376 
1 1 1    0   25    8 o  275.651   17.756  100.151   12.610  115.550   19.770   89.588   16.374  293.252   26.306  258.503   24.756 34.74899 36.12299 
1 1 1    0   25    9 o  251.946   18.899   84.000   12.244   76.782   19.251   88.904   15.867  236.038   32.336  257.578   24.060 -21.53932 40.30555 
1 1 1    0   25   10 o  349.228   15.338  159.764   13.875  147.491   20.700  169.777   18.696  331.940   24.243  357.969   20.246 -26.02991 31.58497 
1 1 1    0   25   11 o  265.146   18.203   93.033   12.426   89.542   17.631   96.480   17.516  256.909   26.892  267.312   25.611 -10.40356 37.13586 
1 1 1    0   25   12 o  308.622   16.310  125.537   12.993  108.867   19.895  137.932   17.156  282.813   27.506  321.876   20.686 -39.06372 34.41688 
1 1 1    0   25   13 o  133.745   33.810   25.695   11.719   26.971   17.171   24.583   16.034  136.118   43.288  130.692   41.860 5.426163 60.21709 
1 1 1    0   25   14 o  273.848   17.584   99.537   12.407   89.549   19.477  106.358   16.095  253.777   30.224  281.091   22.288 -27.31401 37.55304 
1 1 1    0   25   15 o   66.113   29.825  -4.1982   10.823  -9.2395   15.552   0.5365   15.072   74.675   34.463   84.843   36.861 -10.16714 50.46198 
1 1 1    0   25   16 o  310.811   17.520  128.668   14.048  125.576   20.946  131.197   18.939  301.345   27.124  310.335   23.741 -8.990234 36.04646 
1 1 1    0   25   17 o  329.075   15.009  143.147   12.793  142.069   18.990  144.043   17.311  322.870   22.854  326.652   20.564 -3.782410 30.74412 
1 1 1    0   25   18 o  300.147   17.432  120.616   13.495   95.498   19.705  142.803   18.519  258.849   29.941  323.436   22.240 -64.58698 37.29677 
1 1 1    0   25   19 o   68.833   32.154  -9.7506   14.180   1.6530   28.096 -13.6479   16.425  106.619   48.080   71.341   33.722 35.27805 58.72736 
1 1 1    0   25   20 o   96.842   32.076   13.527   9.3743   0.0000   0.0000   13.527   9.3743  ?   ?    96.842   32.076 0.000000 32.07636 
1 1 1    0   25   21 o  185.663   22.454   48.086   10.579   0.0000   0.0000   48.086   10.579  ?   ?   185.663   22.454 0.000000 22.45401 
1 1 1    0   25   22 o  175.080   20.714   42.548   9.2120   25.030   24.652   45.391   9.9315  124.030   49.950  180.334   21.697 -56.30328 54.45825 
1 1 1    0   25   23 o  189.812   25.717   51.991   12.319   31.830   19.868   64.584   15.702  133.182   46.647  208.233   29.974 -75.05048 55.44715 
1 1 1    0   25   24 o  310.676   21.156  134.870   16.924  151.400   24.681  120.200   23.250  317.380   30.393  279.661   32.714 37.71896 44.65339 
1 1 1    0   25   25 o  132.426   29.608   27.133   9.9014   0.0000   0.0000   27.133   9.9014  ?   ?   132.426   29.608 0.000000 29.60824 
1 1 1    0   25   26 o  127.195   29.221   25.350   9.4250   13.340   18.622   29.486   10.928   97.909   41.729  135.415   31.713 -37.50514 52.41167 
1 1 1    0   25   27 o   49.864   23.029  -3.6179   6.9618  -6.6900   18.402  -3.1047   7.5209   75.542   35.704   52.736   24.202 22.80578 43.13315 
1 1 1    0   25   28 o  108.878   29.495   19.397   8.5246   38.300   22.171   16.117   9.2345  127.309   48.495   97.917   31.808 29.39133 57.99605 
1 1 1    0   25   29 o  124.748   28.709   25.341   9.0842   24.770   22.378   25.454   9.9401  105.996   45.474  122.598   31.218 -16.60233 55.15774 
1 1 1    0   25   30 o   49.285   23.330  -5.9650   7.9133 -12.9700   21.338  -4.8480   8.5209   72.447   35.290   52.669   24.706 19.77740 43.07841 
1 1 1    0   25   31 o   65.032   27.680   3.9593   8.1738 -26.1100   20.007   9.9834   8.9552   62.925   31.302   79.124   30.646 -16.19897 43.80634 
1 1 1    0   25   32 o   49.950   23.239  -3.2368   7.2893   22.990   14.968 -11.3913   8.3460  101.523   39.536   44.592   21.797 56.93119 45.14670 
1 1 1    0   25   33 o  127.907   24.894   26.555   7.9509   17.340   22.059   27.932   8.5239   88.711   40.977  129.776   26.258 -41.06511 48.66831 
1 1 1    0   25   34 f   66.733   27.727   6.2783   7.8972   41.720   21.869   0.9634   8.4687  110.417   46.030   58.090   26.278 52.32694 53.00274 
1 1 1    0   25   35 o   51.934   24.963  -6.0728   9.8124   4.2060   17.312 -10.9378   11.910   71.376   33.993   52.679   25.811 18.69648 42.68181 
1 1 1    0   25   36 o   65.797   29.279   5.9629   10.046 -22.1000   22.662   12.826   11.207   61.207   30.847   77.171   32.609 -15.96436 44.88750 
1 1 1    0   25   37 o   65.347   28.826   6.7490   9.5334   0.0000   0.0000   6.7490   9.5334  ?   ?    65.347   28.826 0.000000 28.82631 
1 1 1    0   25   38 o   83.858   32.803   17.697   10.339   3.4890   22.365   21.558   11.660   67.469   33.484   88.676   34.794 -21.20706 48.28828 
1 1 1    0   25   39 o   70.752   29.769   11.433   9.2761   2.9700   22.040   13.255   10.226   65.112   32.464   73.254   31.062 -8.142815 44.93068 
1 1 1    0   25   40 o   51.345   24.460  -0.7308   8.9763  -8.6880   22.128   0.8366   9.8207   58.812   29.741   54.212   25.757 4.599754 39.34405 
1 1 1    0   25   41 o   73.780   29.992   15.072   8.9796   28.200   21.465   12.287   9.8862   70.685   34.637   67.118   29.490 3.566650 45.49045 
1 1 1    0   26    0 o  287.899   25.511  109.800   18.828   89.000   27.768  127.500   25.615  253.310   43.911  308.362   32.562 -55.05234 54.66692 
1 1 1    0   26    1 o  353.948   15.403  164.068   14.122  140.935   20.510  184.921   19.473  324.440   24.588  373.780   20.188 -49.34018 31.81365 
1 1 1    0   26    2 o  166.979   26.908   38.189   11.243   57.763   17.171   23.500   14.875  203.476   33.762  129.273   40.178 74.20235 52.48002 
1 1 1    0   26    3 o  225.456   20.569   67.693   11.880   70.071   17.880   65.814   15.895  225.431   31.479  219.506   28.638 5.925262 42.55690 
1 1 1    0   26    4 o  402.522   14.185  211.926   14.791  212.395   21.494  211.504   20.384  400.208   20.806  400.317   19.658 -0.1085510 28.62353 
1 1 1    0   26    5 o  275.326   17.403  100.063   12.348   96.868   18.011  102.897   16.961  267.671   26.317  276.953   23.876 -9.282013 35.53365 
1 1 1    0   26    6 o  320.590   15.317  134.754   12.720  130.634   19.437  137.840   16.822  311.956   24.244  322.181   20.261 -10.22482 31.59545 
1 1 1    0   26    7 o  153.338   27.547   32.561   10.539   32.484   16.728   32.611   13.572  148.954   41.702  150.847   35.351 -1.892319 54.66988 
1 1 1    0   26    8 o   66.483   30.180  -5.5126   11.289   8.8891   17.316 -16.1585   14.887  103.164   41.751   67.020   31.804 36.14439 52.48473 
1 1 1    0   26    9 o  757.302   12.554  749.919   24.627  728.634   34.893  771.047   34.763  742.642   18.139  764.425   17.556 -21.78369 25.24354 
1 1 1    0   26   10 o  403.513   19.692  216.211   20.583   0.0000   0.0000  216.211   20.583  ?   ?   403.513   19.692 0.000000 19.69239 
1 1 1    0   26   11 o  293.817   18.316  114.857   13.870   95.195   20.385  131.808   18.927  261.146   30.723  312.179   23.580 -51.03326 38.72850 
1 1 1    0   26   12 o   97.879   34.157   12.646   10.648   7.9697   17.829   15.238   13.276  101.055   41.797  106.985   38.069 -5.929749 56.53518 
1 1 1    0   26   13 o  124.459   33.839   22.723   11.196   34.159   15.787   11.153   15.880  149.993   39.928  102.136   40.436 47.85625 56.82671 
1 1 1    0   26   14 o  227.114   21.766   70.215   12.648   75.861   18.976   65.702   16.967  229.433   32.868  214.144   31.531 15.28862 45.54713 
1 1 1    0   26   15 o  265.557   19.180   95.084   13.105   97.519   19.637   93.128   17.596  262.214   29.419  258.138   26.702 4.075958 39.72988 
1 1 1    0   26   16 o  286.340   17.799  110.176   13.137   87.212   18.429  133.895   18.730  247.064   29.373  311.807   23.360 -64.74327 37.52936 
1 1 1    0   26   17 f  310.818   17.800  130.111   14.271   97.724   20.791  158.968   19.625  258.739   31.683  339.929   22.414 -81.19070 38.80952 
1 1 1    0   26   18 o  340.112   15.312  154.220   13.490  147.212   21.184  159.000   17.496  323.468   25.490  341.546   19.862 -18.07721 32.31433 
1 1 1    0   26   19 o  110.008   37.441   18.606   12.766   25.130   20.136   14.222   16.507  123.930   46.438  103.767   41.180 20.16344 62.06642 
1 1 1    0   26   20 o  137.008   27.297   27.610   9.3474   0.0000   0.0000   27.610   9.3474  ?   ?   137.008   27.297 0.000000 27.29746 
1 1 1    0   26   21 o  166.032   24.214   39.535   10.107  112.300   28.673   29.210   10.801  256.220   44.835  138.125   30.955 118.0955 54.48269 
1 1 1    0   26   22 o  227.131   28.487   76.686   16.391   72.490   27.343   79.040   20.479  189.892   53.371  221.512   36.996 -31.62053 64.93963 
1 1 1    0   26   23 o   53.901   25.243  -6.2832   8.8332 -14.0200   26.453  -5.3122   9.3711   85.586   41.098   56.941   26.444 28.64524 48.87062 
1 1 1    0   26   24 o   66.033   29.586  -0.5826   10.447   0.0000   0.0000  -0.5826   10.447  ?   ?    66.033   29.586 0.000000 29.58574 
1 1 1    0   26   25 o   68.419   29.602   2.6636   9.6396  -8.3520   23.314   4.9352   10.587   81.805   39.095   74.343   31.569 7.461800 50.24923 
1 1 1    0   26   26 o   48.573   22.817  -5.2911   7.3118   42.720   22.986 -10.6962   7.7124  133.125   49.668   44.034   21.396 89.09052 54.08027 
1 1 1    0   26   27 o   40.247   19.894 -14.3084   7.6068   11.440   21.869 -17.8526   8.1134   92.177   41.906   39.544   19.713 52.63279 46.31161 
1 1 1    0   26   28 o   90.883   30.482   14.082   8.4600   31.040   21.824   11.083   9.1776  111.567   46.202   82.696   31.273 28.87059 55.79069 
1 1 1    0   26   29 o   51.185   23.993  -4.4381   8.0123 -10.7900   20.322  -3.2690   8.7186   71.304   34.667   54.877   25.493 16.42708 43.03084 
1 1 1    0   26   30 o   71.017   28.693   7.0857   8.1637   17.180   16.961   4.0421   9.3134   91.722   39.475   66.742   28.986 24.98003 48.97430 
1 1 1    0   26   31 o   52.084   24.220  -2.8408   7.9029   0.9405   19.543  -3.5800   8.6410   75.402   35.967   53.289   24.959 22.11248 43.77908 
1 1 1    0   26   32 o  123.164   25.606   25.267   7.9027   18.110   21.957   26.333   8.4703   87.373   40.543  124.076   27.112 -36.70291 48.77287 
1 1 1    0   26   33 o   73.248   27.772   9.4064   7.2494   65.860   22.326   2.7529   7.6647  141.298   49.451   58.780   25.893 82.51735 55.81977 
1 1 1    0   26   34 o   59.370   27.343   1.3367   9.7166   0.8318   15.628   1.6549   12.406   66.293   31.769   63.592   29.823 2.701729 43.57392 
1 1 1    0   26   35 o   92.747   32.478   19.504   9.6307  -0.5807   23.009   23.771   10.604   68.465   33.975  100.397   34.125 -31.93272 48.15399 
1 1 1    0   26   36 o   58.636   26.569   3.4388   8.6996   0.0000   0.0000   3.4388   8.6996  ?   ?    58.636   26.569 0.000000 26.56928 
1 1 1    0   26   37 o   59.904   26.678   5.1165   8.3584   14.060   21.493   3.5229   9.0725   71.003   34.764   58.247   26.675 12.75661 43.81930 
1 1 1    0   26   38 o   53.156   24.973   0.6825   8.7646  -0.5767   23.130   0.8936   9.4709   62.903   31.633   54.433   25.692 8.470558 40.75197 
1 1 1    0   26   39 o   50.031   23.622  -0.0097   8.0171  -2.7420   20.655   0.4749   8.6992   59.126   29.754   51.682   24.464 7.443703 38.51984 
1 1 1    0   26   40 o   42.526   21.156  -9.7653   9.1470  -8.0870   22.659 -10.0920   9.9977   55.998   28.501   43.972   21.915 12.02617 35.95198 
1 1 1    0   27    1 o  126.398   33.441   22.937   11.118   23.584   16.755   22.427   14.861  128.655   42.897  125.300   40.317 3.354965 58.86948 
1 1 1    0   27    2 o   70.923   31.411  -2.4552   11.431 -18.0462   17.350   9.5032   15.195   72.308   34.320   99.663   39.523 -27.35461 52.34425 
1 1 1    0   27    3 o  148.355   32.210   31.431   12.023   35.031   17.862   28.448   16.257  152.847   43.200  138.836   41.786 14.01146 60.10249 
1 1 1    0   27    4 o  153.903   28.531   33.207   10.955   39.360   15.815   27.532   15.190  163.784   38.012  136.702   40.213 27.08179 55.33474 
1 1 1    0   27    5 o  239.192   18.942   76.359   11.640   71.720   17.074   80.387   15.910  226.953   29.762  242.518   25.720 -15.56523 39.33514 
1 1 1    0   27    6 o  167.065   27.816   38.986   11.614   43.515   18.499   36.040   14.921  169.729   42.244  156.407   37.345 13.32166 56.38490 
1 1 1    0   27    7 o  481.216   13.120  303.786   16.354  301.602   24.544  305.530   21.932  475.542   19.926  480.134   17.635 -4.592499 26.60845 
1 1 1    0   27    8 o  448.790   13.552  264.641   15.754  262.853   23.129  266.190   21.518  443.460   20.135  447.303   18.572 -3.842621 27.39205 
1 1 1    0   27    9 o  114.927   35.217   19.222   11.475   23.805   16.242   14.656   16.214  126.659   42.235  108.691   41.455 17.96776 59.18050 
1 1 1    0   27   10 o  482.561   12.887  306.073   16.108  274.117   23.483  334.471   22.137  451.997   20.057  501.717   17.034 -49.71936 26.31439 
1 1 1    0   27   11 o  192.902   25.245   51.810   12.311   42.477   18.761   58.869   16.316  163.844   43.483  201.602   32.338 -37.75818 54.18932 
1 1 1    0   27   12 o  290.378   16.792  112.698   12.577  127.568   18.410   99.685   17.222  304.583   23.516  267.975   25.103 36.60757 34.39753 
1 1 1    0   27   13 o  420.787   14.871  234.894   16.208  218.204   23.763  249.416   22.165  398.363   23.128  429.570   19.920 -31.20721 30.52390 
1 1 1    0   27   14 o  115.518   34.018   20.222   10.865   19.917   16.585   20.452   14.381  115.470   42.352  115.749   39.734 -0.2794342 58.07310 
1 1 1    0   27   15 o  142.070   34.387   31.009   12.519   5.5162   18.289   53.480   17.171   94.338   40.795  185.806   36.978 -91.46849 55.05971 
1 1 1    0   27   16 o   61.031   28.553  -8.1265   11.254 -16.4059   15.816   0.3652   16.018   66.607   31.930   83.241   37.009 -16.63410 48.87937 
1 1 1    0   27   17 o  133.057   34.115   27.646   11.813   16.268   17.569   37.036   15.960  107.286   42.513  149.745   40.271 -42.45928 58.55866 
1 1 1    0   27   18 o   87.215   35.132   8.6188   12.199   21.450   22.274   3.1210   14.580  116.633   47.300   82.806   36.112 33.82650 59.50953 
1 1 1    0   27   19 o   89.577   34.414   10.782   11.224   6.5670   24.161   11.941   12.675   99.975   44.878   93.578   36.399 6.397064 57.78345 
1 1 1    0   27   20 o   85.104   35.225   7.7509   12.676   21.890   21.667   0.3933   15.630  113.939   46.483   80.095   36.014 33.84422 58.80218 
1 1 1    0   27   21 o   95.917   32.117   14.418   9.3921  -7.3330   20.043   20.539   10.632   79.936   37.621  112.047   33.808 -32.11053 50.57993 
1 1 1    0   27   22 o   58.474   26.079  -0.7949   8.0183   0.0000   0.0000  -0.7949   8.0183  ?   ?    58.474   26.079 0.000000 26.07867 
1 1 1    0   27   23 o   59.107   27.189  -3.3449   9.5684 -44.8000   25.091   3.7098   10.351   67.016   33.596   71.669   30.841 -4.652863 45.60574 
1 1 1    0   27   24 o  137.969   26.344   29.505   9.0715   61.380   25.205   24.762   9.7230  157.796   52.613  122.328   30.726 35.46867 60.92783 
1 1 1    0   27   25 o  138.910   24.526   29.591   8.5022   28.960   24.428   29.678   9.0692  109.729   47.299  137.428   26.437 -27.69995 54.18547 
1 1 1    0   27   26 o   68.978   28.414   5.6053   8.1941   61.990   21.987  -3.4896   8.8303  161.628   48.584   55.266   25.667 106.3615 54.94712 
1 1 1    0   27   27 o   74.336   28.353   8.4330   7.5841 -28.7100   19.371   15.157   8.2421   60.643   30.268   93.313   30.025 -32.67054 42.63369 
1 1 1    0   27   28 o   76.919   29.157   9.5933   7.9898   46.100   17.718   0.2741   8.9517  140.548   43.876   59.888   27.061 80.65938 51.55015 
1 1 1    0   27   29 o   44.387   21.560  -9.3415   7.8134  -4.8490   18.525 -10.3136   8.6174   70.399   33.954   46.157   22.471 24.24229 40.71635 
1 1 1    0   27   30 o   87.100   30.244   14.126   8.3431   20.380   21.801   13.053   9.0305   89.798   41.208   83.511   31.137 6.287529 51.64880 
1 1 1    0   27   31 o   60.430   25.805   3.9930   7.1459   31.060   22.036   0.8119   7.5542   96.432   43.103   55.422   24.967 41.00965 49.81224 
1 1 1    0   27   32 o   54.460   24.441   1.2715   7.1612  -2.3910   20.936   1.7568   7.6209   69.101   33.931   56.313   25.247 12.78769 42.29317 
1 1 1    0   27   33 o   51.059   24.624  -5.6658   9.7376   18.260   16.677 -18.0433   11.995   80.869   36.700   47.415   23.689 33.45473 43.68118 
1 1 1    0   27   34 o   43.244   21.564 -15.1454   9.7382  -3.2920   22.212 -17.9658   10.835   65.444   32.624   44.248   22.167 21.19602 39.44214 
1 1 1    0   27   35 o   84.923   32.777   18.556   10.216   0.0000   0.0000   18.556   10.216  ?   ?    84.923   32.777 0.000000 32.77727 
1 1 1    0   27   36 o   66.567   29.420   9.5501   9.9762   34.530   21.301   2.5318   11.291   81.904   38.620   58.498   27.742 23.40640 47.55098 
1 1 1    0   27   37 o   48.934   23.537  -2.5724   8.7596 -31.3000   23.309   2.1520   9.4525   53.468   27.355   55.043   25.884 -1.575367 37.66039 
1 1 1    0   27   38 o   48.487   23.028  -0.5327   7.8347   21.990   18.451  -5.4868   8.6536   69.671   33.673   45.159   22.100 24.51254 40.27693 
1 1 1    0   27   39 o   47.125   22.692  -1.2897   8.1962   3.4490   23.037  -1.9765   8.7701   58.023   29.451   47.364   22.969 10.65855 37.34853 
1 1 1    0   28    0 o  227.909   31.081   71.219   17.870   62.590   25.458   79.600   25.091  205.876   48.531  235.863   42.637 -29.98711 64.60032 
1 1 1    0   28    1 f  294.305   16.767  115.291   12.730   94.913   17.980  135.769   18.025  261.394   26.941  316.366   22.134 -54.97256 34.86775 
1 1 1    0   28    2 o  279.030   17.868  104.077   12.847  112.510   18.580   96.353   17.782  285.765   25.365  263.662   26.391 22.10272 36.60398 
1 1 1    0   28    3 o  274.679   18.354  101.092   12.984   84.178   19.012  115.876   17.775  243.272   30.865  290.951   23.793 -47.67917 38.97102 
1 1 1    0   28    4 o  157.861   30.960   36.064   12.207   52.425   18.297   22.939   16.388  185.864   39.235  123.967   42.421 61.89746 57.78342 
1 1 1    0   28    5 o  123.054   32.952   22.396   10.713   6.6319   15.622   36.392   14.719   93.469   38.929  155.079   37.134 -61.61007 53.79979 
1 1 1    0   28    6 o  564.640   12.603  419.383   18.433  381.815   26.466  454.773   25.687  533.398   19.155  584.330   16.971 -50.93188 25.59175 
1 1 1    0   28    7 o   92.094   34.994   10.241   11.526   8.5692   17.469   11.529   15.338   99.020   41.198  100.382   39.740 -1.362122 57.24102 
1 1 1    0   28    8 o   82.393   32.090   7.3023   9.8617   6.3715   14.094   8.1951   13.804   89.283   37.064   91.771   37.229 -2.488632 52.53335 
1 1 1    0   28    9 f  189.545   25.476   50.607   12.192   67.944   18.861   38.166   15.978  212.732   35.478  155.684   39.545 57.04735 53.12708 
1 1 1    0   28   10 o  262.524   18.391   93.243   12.427   82.498   18.996  101.281   16.431  237.277   31.700  269.912   23.742 -32.63461 39.60517 
1 1 1    0   28   11 f  113.408   35.397   19.710   11.532   14.401   16.188   25.180   16.431  104.481   40.996  125.055   42.478 -20.57314 59.03423 
1 1 1    0   28   12 o  366.419   15.121  179.159   14.352  184.018   22.359  175.754   18.717  362.815   23.925  358.290   20.250 4.525024 31.34447 
1 1 1    0   28   13 o  116.791   35.466   21.397   11.673   30.001   18.261   15.451   15.179  132.418   44.781  104.229   40.026 28.18861 60.06236 
1 1 1    0   28   14 o  170.741   28.277   42.896   12.068   40.863   17.409   44.777   16.745  155.336   42.179  165.315   39.621 -9.978348 57.86931 
1 1 1    0   28   15 o  170.251   26.463   42.248   11.291   45.696   18.266   40.115   14.364  163.105   42.725  158.743   35.789 4.362320 55.73371 
1 1 1    0   28   16 o  167.471   29.066   42.058   12.152   20.915   17.705   60.888   16.708  112.917   43.260  197.667   33.849 -84.74970 54.92899 
1 1 1    0   28   17 o  102.134   37.339   16.388   12.877   18.040   22.035   15.532   15.868  109.258   45.921  101.970   40.404 7.287804 61.16544 
1 1 1    0   28   18 o   64.948   31.135 -13.5745   15.040   0.0000   0.0000 -13.5745   15.040  ?   ?    64.948   31.135 0.000000 31.13501 
1 1 1    0   28   19 o  115.038   42.169   24.129   16.439   7.8720   25.855   35.160   21.298   98.641   45.122  130.704   47.985 -32.06309 65.86768 
1 1 1    0   28   20 o   69.597   31.650  -1.3335   12.486   0.0000   0.0000  -1.3335   12.486  ?   ?    69.597   31.650 0.000000 31.65018 
1 1 1    0   28   21 o   68.675   28.739   4.2961   8.5717   0.0000   0.0000   4.2961   8.5717  ?   ?    68.675   28.739 0.000000 28.73949 
1 1 1    0   28   22 o   82.180   29.915   10.499   8.2524   28.770   19.512   6.5187   9.1070  114.526   44.986   73.588   30.092 40.93792 54.12276 
1 1 1    0   28   23 o  163.330   21.013   39.252   8.6840   59.490   22.783   35.812   9.3931  156.627   49.869  152.739   24.575 3.888611 55.59513 
1 1 1    0   28   24 o  160.155   20.723   37.948   8.3952   31.250   20.209   39.345   9.2293  112.309   45.226  161.154   22.741 -48.84602 50.62186 
1 1 1    0   28   25 o   99.452   28.909   17.007   7.8919   46.440   18.672   10.605   8.7080  139.403   45.226   80.141   30.425 59.26216 54.50766 
1 1 1    0   28   26 o   84.860   28.572   12.419   7.4335   32.830   16.344   7.0949   8.3468  117.057   42.177   70.949   28.887 46.10762 51.12059 
1 1 1    0   28   27 o   52.670   24.362  -2.2195   7.8352 -26.2100   18.472   3.0439   8.6521   58.664   29.322   62.907   27.615 -4.243229 40.27919 
1 1 1    0   28   28 f   74.321   29.185   9.2734   8.2102   13.930   21.181   8.4501   8.9065   84.213   39.324   72.796   29.762 11.41697 49.31715 
1 1 1    0   28   29 o   65.609   27.149   6.1187   7.5277   15.590   21.513   4.7973   8.0356   83.256   39.118   63.542   27.255 19.71379 47.67657 
1 1 1    0   28   30 f   79.416   28.675   11.979   7.5602   10.730   21.678   12.152   8.0666   77.358   37.162   79.313   29.456 -1.955139 47.42031 
1 1 1    0   28   31 o   59.868   25.897   4.4023   7.3749   0.8222   19.488   5.0007   7.9675   68.152   33.312   61.791   26.823 6.360741 42.76867 
1 1 1    0   28   32 o   67.438   29.909   8.0988   10.398   4.0620   18.245   10.041   12.654   67.373   32.777   70.552   31.999 -3.178940 45.80663 
1 1 1    0   28   33 o   47.751   23.551  -9.9278   10.457 -19.0600   22.024  -7.2700   11.881   58.289   29.500   52.237   25.632 6.052723 39.07982 
1 1 1    0   28   34 o   68.950   29.978   11.011   9.9843   0.0000   0.0000   11.011   9.9843  ?   ?    68.950   29.978 0.000000 29.97848 
1 1 1    0   28   35 f   42.192   21.107 -14.0643   9.6612   7.0040   17.210 -23.7589   11.674   63.480   31.087   41.745   21.165 21.73423 37.60770 
1 1 1    0   28   36 o   54.672   25.332   3.4013   8.5261   26.550   23.372  -0.1522   9.1572   69.845   34.586   51.282   24.506 18.56320 42.38809 
1 1 1    0   28   37 o   46.966   22.915  -3.5518   9.1034   21.950   21.617  -9.0495   10.037   65.718   32.667   44.570   22.171 21.14845 39.47995 
1 1 1    0   28   38 o   45.284   22.185  -3.6017   8.7928  -7.0990   21.661  -2.9118   9.6212   53.526   27.299   47.056   23.085 6.469913 35.75151 
1 1 1    0   29    1 o  177.330   25.446   44.542   11.353   45.568   16.757   43.671   15.436  170.309   38.845  168.410   36.443 1.898956 53.26380 
1 1 1    0   29    2 o  158.981   27.650   36.496   10.973   38.717   16.418   34.703   14.751  155.377   40.412  148.453   38.154 6.923737 55.57740 
1 1 1    0   29    3 o  204.782   24.230   58.833   12.604   68.252   19.004   51.438   16.840  211.773   35.929  182.553   36.881 29.21971 51.48860 
1 1 1    0   29    4 o  385.599   14.112  197.364   14.095  191.848   21.307  201.656   18.796  373.070   22.148  386.163   18.790 -13.09308 29.04504 
1 1 1    0   29    5 o   56.924   26.917  -9.7245   10.480  -9.2934   15.670 -10.0733   14.096   72.511   33.848   67.643   31.745 4.867546 46.40495 
1 1 1    0   29    6 f  163.680   28.438   39.135   11.620   52.579   18.179   29.849   15.109  181.171   39.824  135.444   40.176 45.72757 56.56872 
1 1 1    0   29    7 o  163.844   29.389   39.624   12.015   25.276   17.865   51.474   16.235  123.882   44.152  182.320   35.655 -58.43771 56.75089 
1 1 1    0   29    8 o  163.571   28.250   39.263   11.537   33.855   16.727   44.170   15.932  141.692   42.328  166.338   37.832 -24.64612 56.77048 
1 1 1    0   29    9 f  111.378   35.068   19.419   11.291   20.100   17.325   18.917   14.886  113.263   42.936  110.214   40.169 3.048607 58.79676 
1 1 1    0   29   10 f   64.907   29.660  -4.0770   11.134   1.5815   15.959  -9.4424   15.540   83.559   37.056   71.023   33.331 12.53576 49.84069 
1 1 1    0   29   11 o  226.702   21.962   72.121   12.735   71.157   18.786   72.941   17.322  213.172   35.253  219.762   31.316 -6.590668 47.15388 
1 1 1    0   29   12 o  187.171   23.988   50.216   11.363   50.589   18.200   49.978   14.546  172.458   41.288  180.021   32.384 -7.562759 52.47332 
1 1 1    0   29   13 o  280.879   18.321  108.457   13.257   95.350   19.802  119.102   17.846  250.154   31.242  288.448   24.106 -38.29419 39.46056 
1 1 1    0   29   14 o   95.076   33.507   13.866   10.261   13.555   15.633   14.101   13.601   97.996   39.667   97.410   37.757 0.5861053 54.76305 
1 1 1    0   29   15 o  121.954   33.518   24.268   10.916   16.676   17.172   29.417   14.140  103.120   41.632  129.838   38.947 -26.71745 57.00956 
1 1 1    0   29   16 o   59.839   29.107 -17.5412   14.373   0.0000   0.0000 -17.5412   14.373  ?   ?    59.839   29.107 0.000000 29.10676 
1 1 1    0   29   17 o   65.607   32.440 -29.2000   20.286   0.0000   0.0000 -29.2000   20.286  ?   ?    65.607   32.440 0.000000 32.44037 
1 1 1    0   29   18 o   67.522   30.659  -1.0283   11.659   3.6760   17.942  -4.4664   15.339   83.913   38.076   71.641   33.457 12.27213 50.68673 
1 1 1    0   29   19 o   55.870   27.191 -14.8868   12.587  -4.7732   16.494 -28.9900   19.477   72.641   34.170   62.892   31.218 9.749378 46.28343 
1 1 1    0   29   20 o  128.563   29.973   27.374   9.7974   2.4912   14.870   46.464   13.024   76.156   34.597  167.347   31.194 -91.19075 46.58302 
1 1 1    0   29   21 f  183.893   25.532   52.675   11.834   36.370   24.023   57.900   13.598  115.862   48.267  188.940   28.687 -73.07855 56.14844 
1 1 1    0   29   22 o  132.342   25.432   27.813   8.4015   15.140   22.963   29.772   9.0274   91.897   42.216  135.858   26.605 -43.96116 49.89952 
1 1 1    0   29   23 o  100.622   27.915   17.247   7.5314   5.4820   21.605   18.875   8.0355   81.917   38.708  104.599   28.762 -22.68109 48.22386 
1 1 1    0   29   24 o   65.550   27.515   5.0480   7.8942  -2.8740   20.446   6.4359   8.5579   73.952   35.668   69.400   28.852 4.551506 45.87628 
1 1 1    0   29   25 o   95.136   29.464   16.434   8.0075   10.540   20.336   17.516   8.7112   82.279   38.458   96.780   30.839 -14.50077 49.29566 
1 1 1    0   29   26 o   79.029   29.684   11.289   8.2372   15.640   21.145   10.511   8.9437   84.894   39.524   76.991   30.388 7.903198 49.85592 
1 1 1    0   29   27 o  178.419   19.538   48.457   8.8822   62.950   23.635   46.073   9.5848  131.396   50.067  170.368   22.251 -38.97215 54.78861 
1 1 1    0   29   28 o   56.337   25.486   1.2797   7.9671  -7.9140   21.765   2.7022   8.5613   67.178   33.285   59.725   26.769 7.452183 42.71427 
1 1 1    0   29   29 o   63.758   27.450   5.9041   8.2081   11.980   21.270   4.8410   8.8973   75.461   36.392   62.634   27.727 12.82686 45.75130 
1 1 1    0   29   30 o   51.136   23.674  -0.3204   7.4244   6.9640   18.691  -1.6850   8.0900   69.390   33.622   50.859   23.926 18.53091 41.26599 
1 1 1    0   29   31 o   52.022   25.798 -10.8354   13.177  -5.7260   18.686 -15.8900   18.585   60.671   30.192   56.332   28.332 4.338879 41.40385 
1 1 1    0   29   32 o   58.958   27.095   4.4197   9.4721  -8.4400   23.025   7.0394   10.392   60.658   30.635   62.976   28.730 -2.317982 41.99907 
1 1 1    0   29   33 o   78.087   32.320   17.802   10.671   0.0000   0.0000   17.802   10.671  ?   ?    78.087   32.320 0.000000 32.31952 
1 1 1    0   29   34 o   51.486   24.516   0.2476   8.9966   7.7530   18.353  -2.1262   10.322   62.232   30.787   51.076   24.803 11.15562 39.53477 
1 1 1    0   29   35 o   57.269   26.547   5.8618   9.3795 -23.9300   22.892   11.872   10.282   52.425   26.843   65.163   29.262 -12.73849 39.70958 
1 1 1    0   29   36 o   58.425   26.776   7.9798   9.1633   59.740   24.008  -0.8465   9.9138   78.445   38.032   49.457   24.083 28.98820 45.01596 
1 1 1    0   29   37 o   44.475   21.905  -3.9215   8.9459  -1.1570   17.487  -4.9015   10.411   52.417   26.499   45.791   22.746 6.626350 34.92255 
1 1 1    0   30    0 o  193.056   32.760   53.379   15.797   18.770   22.208   88.820   22.474  122.814   48.067  247.811   36.070 -124.9968 60.09514 
1 1 1    0   30    1 o  236.959   21.552   78.494   13.084   84.408   19.703   73.829   17.499  234.547   33.372  221.089   31.442 13.45775 45.85073 
1 1 1    0   30    2 o  183.998   26.580   49.355   12.301   65.036   18.453   36.816   16.502  202.383   36.546  146.631   41.549 55.75241 55.33462 
1 1 1    0   30    3 o  132.868   33.069   27.713   11.336  -1.3423   17.319   49.488   14.994   82.436   37.407  178.410   33.679 -95.97393 50.33446 
1 1 1    0   30    4 o  247.711   20.904   85.530   13.288   83.544   19.887   87.132   17.859  232.062   34.101  242.433   29.016 -10.37018 44.77485 
1 1 1    0   30    5 o  124.954   32.532   24.548   10.633   14.119   15.570   33.661   14.555  100.246   39.928  141.988   38.573 -41.74120 55.51652 
1 1 1    0   30    6 o  104.542   35.932   17.287   11.762   5.3801   17.666   26.770   15.765   90.047   39.496  124.326   41.611 -34.27921 57.37056 
1 1 1    0   30    7 o   98.273   33.806   14.899   10.412   15.918   15.139   13.983   14.344  102.513   39.806   98.443   38.601 4.069168 55.44931 
1 1 1    0   30    8 o   85.201   33.532   9.2250   10.861   1.6983   16.571   14.893   14.379   83.359   37.311   99.797   38.783 -16.43784 53.81631 
1 1 1    0   30    9 o  107.162   34.064   18.523   10.634   5.2857   15.656   29.858   14.488   85.865   37.434  131.296   39.431 -45.43104 54.37029 
1 1 1    0   30   10 o  211.730   22.331   63.998   12.063   61.024   17.130   66.923   16.990  194.162   35.362  206.169   32.921 -12.00668 48.31428 
1 1 1    0   30   11 o  105.523   33.864   18.189   10.490   4.3460   16.415   27.745   13.638   84.969   37.636  126.230   38.337 -41.26070 53.72341 
1 1 1    0   30   12 o   77.360   31.824   6.4185   10.263  -8.9566   14.738   20.890   14.299   67.446   31.900  109.306   39.440 -41.86069 50.72627 
1 1 1    0   30   13 o   82.980   34.267   8.2837   11.957   37.520   25.860   0.3331   13.485  127.843   51.273   73.919   33.324 53.92478 61.15081 
1 1 1    0   30   14 o   79.868   35.495   3.8092   14.719 -24.6200   22.186   26.160   19.672   70.842   34.815  114.204   45.071 -43.36203 56.95122 
1 1 1    0   30   15 o   56.452   27.756 -20.3826   14.158  -1.9950   22.111 -33.1600   18.431   83.720   39.436   59.350   29.607 24.37060 49.31328 
1 1 1    0   30   16 o  107.071   39.871   22.081   14.799   16.520   20.494   28.140   21.392   98.169   42.812  112.591   46.089 -14.42200 62.90580 
1 1 1    0   30   17 o   72.022   32.012   2.9993   11.976 -11.9178   14.582   33.910   20.991   62.270   30.056  118.862   46.669 -56.59259 55.51055 
1 1 1    0   30   18 o   67.944   29.509   3.6118   9.6535  -1.1043   13.231   8.9810   14.117   68.541   31.686   82.284   35.711 -13.74319 47.74217 
1 1 1    0   30   19 o  131.280   28.384   28.585   9.3709   32.374   12.902   24.353   13.633  129.225   36.782  108.314   38.574 20.91126 53.29939 
1 1 1    0   30   20 o   84.581   32.578   12.651   10.077   5.4638   14.446   19.463   14.063   75.931   34.337   96.442   38.093 -20.51113 51.28404 
1 1 1    0   30   21 o   64.466   29.248   1.4118   10.582 -29.3700   22.740   9.9211   11.956   63.975   32.059   78.868   33.521 -14.89364 46.38305 
1 1 1    0   30   22 o   49.387   23.404  -5.0571   8.0074   3.9460   22.880  -6.3137   8.5480   78.994   38.007   49.636   23.707 29.35864 44.79486 
1 1 1    0   30   23 o   63.278   27.651   3.7793   8.5866   15.300   22.203   1.7532   9.3111   85.118   39.912   61.368   27.676 23.74976 48.56864 
1 1 1    0   30   24 o   56.039   25.225   0.9064   7.6933 -22.0800   20.513   4.6687   8.2990   61.616   30.813   63.823   27.540 -2.206478 41.32677 
1 1 1    0   30   25 o   91.963   29.748   16.363   8.0826  -3.8840   21.237   19.792   8.7404   69.587   34.170  100.364   30.733 -30.77760 45.95784 
1 1 1    0   30   26 o   87.825   30.136   15.562   8.2718  -7.2530   21.838   19.384   8.9378   66.983   33.216   96.991   31.272 -30.00842 45.62066 
1 1 1    0   30   27 f   74.662   29.884   11.263   8.7654   48.360   21.769   4.0841   9.5760  106.318   45.210   62.032   28.013 44.28576 53.18507 
1 1 1    0   30   28 o   64.821   27.895   7.1382   8.4679  -5.3720   20.384   9.7475   9.3092   63.462   31.573   69.834   29.625 -6.372181 43.29598 
1 1 1    0   30   29 o   44.194   21.716  -8.9078   8.6255 -16.2300   17.091  -6.4055   9.9911   54.424   27.344   49.320   24.051 5.104237 36.41678 
1 1 1    0   30   30 o   57.585   27.152   2.6084   10.527   7.9860   19.419   0.3701   12.528   65.649   32.323   57.478   27.771 8.171524 42.61467 
1 1 1    0   30   31 o   47.272   23.193  -6.3748   9.7188   0.0000   0.0000  -6.3748   9.7188  ?   ?    47.272   23.193 0.000000 23.19310 
1 1 1    0   30   32 o   48.485   23.681  -4.0713   9.7929  -4.8580   25.532  -3.9356   10.604   59.080   30.087   49.821   24.399 9.259247 38.73663 
1 1 1    0   30   33 o   68.563   28.574   12.577   8.4235   21.800   20.112   10.615   9.2764   66.637   32.826   63.923   28.304 2.714096 43.34357 
1 1 1    0   30   34 o   59.886   27.075   8.8950   8.9767  -5.9680   22.022   11.857   9.8305   54.645   27.839   63.607   28.584 -8.962208 39.90092 
1 1 1    0   30   35 o   42.783   21.087  -5.0570   8.3369   16.760   23.469  -8.2076   8.9186   58.741   29.806   41.595   20.725 17.14619 36.30341 
1 1 1    0   30   36 o   77.238   30.062   20.211   8.6502   37.800   19.678   15.998   9.6307   65.868   32.451   65.336   28.889 0.5316849 43.44727 
1 1 1    0   31    1 o  139.759   31.270   30.912   11.037   31.965   15.256   29.756   15.988  133.518   40.546  127.500   41.874 6.018074 58.28704 
1 1 1    0   31    2 o   92.724   34.026   13.157   10.707   4.9876   15.113   21.389   15.171   83.698   36.626  110.712   40.521 -27.01392 54.62046 
1 1 1    0   31    3 o  126.967   33.273   26.352   11.075   25.088   15.093   27.826   16.303  118.184   40.698  122.766   42.297 -4.581947 58.69751 
1 1 1    0   31    4 o   67.034   29.852  -0.0123   10.465   2.7965   15.145  -2.5794   14.478   80.707   35.929   73.239   33.599 7.467300 49.19105 
1 1 1    0   31    5 o  235.567   20.258   78.336   12.241   60.142   16.957   98.130   17.688  190.944   35.594  255.863   27.100 -64.91826 44.73706 
1 1 1    0   31    6 o  135.084   31.170   29.205   10.685   51.893   15.948   10.727   14.392  176.003   36.190   90.311   37.469 85.69136 52.09322 
1 1 1    0   31    7 o   66.562   30.089  -1.1826   11.080   8.0754   15.974  -9.7662   15.382   87.874   38.063   67.836   32.231 20.03870 49.87597 
1 1 1    0   31    8 o  203.664   21.861   59.847   11.352   32.981   16.830   82.274   15.377  130.255   42.972  234.655   25.719 -104.3992 50.08045 
1 1 1    0   31    9 o   95.553   36.842   14.944   12.897   52.600   24.228   0.0536   15.235  150.415   51.577   76.290   34.797 74.12520 62.21783 
1 1 1    0   31   10 o  165.517   33.049   45.336   13.673   50.080   25.643   43.451   16.163  141.711   52.541  153.087   40.233 -11.37572 66.17566 
1 1 1    0   31   11 o   93.735   42.544   10.380   22.419   0.0000   0.0000   10.380   22.419  ?   ?    93.735   42.544 0.000000 42.54356 
1 1 1    0   31   12 o  109.309   41.331   23.886   16.029   7.4790   23.221   38.820   22.154   90.739   41.959  126.935   48.447 -36.19539 64.09144 
1 1 1    0   31   13 o   76.729   34.639   3.2620   14.629  -5.8420   20.880   12.040   20.503   77.386   36.987   91.911   41.294 -14.52484 55.43715 
1 1 1    0   31   14 o   80.792   35.151   7.9447   13.746   9.3100   22.808   7.1660   17.225   89.426   41.433   83.276   37.591 6.149857 55.94487 
1 1 1    0   31   15 o   60.350   27.759  -1.8018   9.9725   13.950   17.615  -9.2318   12.098   90.077   39.476   57.861   27.787 32.21547 48.27494 
1 1 1    0   31   16 o   84.633   33.320   12.416   10.727  -8.0891   16.555   27.256   14.084   67.060   32.281  112.969   39.291 -45.90922 50.85170 
1 1 1    0   31   17 o   85.258   32.682   13.107   10.109   10.531   14.500   15.542   14.099   81.920   35.861   89.200   37.053 -7.279434 51.56524 
1 1 1    0   31   18 o  214.770   18.945   67.957   10.432   57.164   14.251   80.417   15.312  178.878   31.927  220.097   27.454 -41.21843 42.10787 
1 1 1    0   31   19 o  144.594   28.667   36.118   10.358   31.774   14.738   40.358   14.559  115.623   40.195  135.839   39.201 -20.21590 56.14544 
1 1 1    0   31   20 o   73.483   30.385   8.7991   9.4191   29.479   14.340  -6.8930   12.492  110.113   39.524   58.173   28.013 51.93990 48.44474 
1 1 1    0   31   21 o   69.229   29.054   7.2096   8.7997  -8.3458   11.346   30.690   13.940   54.118   26.216  112.225   39.086 -58.10701 47.06387 
1 1 1    0   31   22 o   58.633   26.209   2.1926   8.1474   34.260   21.315  -3.2944   8.8169   98.902   43.382   52.601   24.816 46.30038 49.97828 
1 1 1    0   31   23 o   50.130   23.395  -2.0930   7.4793   5.8810   19.714  -3.4337   8.0836   73.165   35.222   50.082   23.669 23.08275 42.43547 
1 1 1    0   31   24 o   65.385   27.376   6.8089   7.7831   5.7110   20.358   6.9968   8.4229   71.776   34.850   66.214   28.139 5.562523 44.79192 
1 1 1    0   31   25 o   53.351   24.861  -0.5042   8.3967  -3.8980   20.599   0.1720   9.1953   65.244   32.337   55.759   25.995 9.484680 41.48961 
1 1 1    0   31   26 o   68.551   28.898   9.3147   8.7684 -14.4000   20.701   14.500   9.6796   59.511   29.927   78.402   31.396 -18.89077 43.37405 
1 1 1    0   31   27 o   47.660   22.920  -3.9570   8.2968 -13.0100   19.571  -1.9735   9.1607   57.630   28.997   51.500   24.582 6.130447 38.01434 
1 1 1    0   31   28 o   48.732   23.767  -5.2613   9.7629   15.520   17.271 -15.0199   11.835   69.732   33.412   46.233   23.162 23.49989 40.65475 
1 1 1    0   31   29 o   53.105   25.159   1.1430   9.2399 -23.4200   19.169   8.5776   10.546   51.444   26.186   62.785   28.756 -11.34107 38.89219 
1 1 1    0   31   30 o   40.892   20.340 -10.2712   8.4397   0.0000   0.0000 -10.2712   8.4397  ?   ?    40.892   20.340 0.000000 20.33985 
1 1 1    0   31   31 o   75.721   30.863   17.709   9.5410   22.180   23.073   16.786   10.479   64.666   32.388   71.608   30.923 -6.942818 44.77954 
1 1 1    0   31   32 o   38.382   19.099  -9.1867   7.4698 -29.7200   20.782  -6.1403   8.0048   48.273   24.777   41.944   20.671 6.329384 32.26723 
1 1 1    0   31   33 o   58.141   26.170   8.7017   8.2791   23.790   19.605   5.4270   9.1334   62.541   31.091   53.642   25.292 8.899048 40.07892 
1 1 1    0   31   34 o   58.679   26.528   10.418   8.6159   26.120   23.376   7.9491   9.2685   58.729   29.795   54.946   25.772 3.782555 39.39416 
1 1 1    0   31   35 o   59.043   26.359   11.722   8.2137 -12.9600   22.427   15.545   8.8269   47.832   24.599   64.053   28.011 -16.22031 37.27897 
1 1 1    0   32    0 o  153.934   40.773   38.326   16.516   14.630   22.441   66.330   24.396  111.349   46.542  196.569   48.267 -85.21991 67.05067 
1 1 1    0   32    1 o  124.028   31.290   25.561   10.052   15.678   13.789   36.771   14.685   95.839   37.762  140.704   38.960 -44.86515 54.25768 
1 1 1    0   32    2 o  167.359   28.566   44.193   11.939   50.184   16.841   38.139   16.928  164.516   39.924  137.568   42.878 26.94775 58.58717 
1 1 1    0   32    3 f   89.047   34.991   12.589   11.809   16.510   20.097   10.520   14.595   98.488   42.676   87.450   37.097 11.03776 56.54557 
1 1 1    0   32    4 o  103.952   38.005   19.991   13.340   17.850   24.873   20.856   15.806  100.877   45.388  104.328   40.628 -3.451118 60.91560 
1 1 1    0   32    5 o   52.695   26.207 -25.4140   13.987   0.0000   0.0000 -25.4140   13.987  ?   ?    52.695   26.207 0.000000 26.20665 
1 1 1    0   32    6 o   86.861   39.623   6.8840   19.761   0.0000   0.0000   6.8840   19.761  ?   ?    86.861   39.623 0.000000 39.62298 
1 1 1    0   32    7 o  120.393   48.174   36.340   22.771   0.0000   0.0000   36.340   22.771  ?   ?   120.393   48.174 0.000000 48.17413 
1 1 1    0   32    8 o   62.322   31.316 -40.5300   22.444 -40.5300   22.444   0.0000   0.0000   62.322   31.316  ?   ?  0.000000 31.31581 
1 1 1    0   32    9 o  129.480   42.135   35.771   16.202   40.890   22.472   30.230   23.380  124.706   48.478  109.591   46.734 15.11507 67.33579 
1 1 1    0   32   10 o   94.114   35.757   16.500   12.033   7.9708   15.598   29.040   18.912   81.806   36.437  110.613   44.021 -28.80656 57.14405 
1 1 1    0   32   11 o   55.398   26.534  -8.2446   10.872 -24.1948   13.718   18.690   17.827   51.548   25.687   95.236   40.715 -43.68816 48.14074 
1 1 1    0   32   12 o   64.973   29.189   1.6836   10.241   4.5214   16.688  -0.0307   12.971   77.518   35.749   67.877   31.378 9.640488 47.56588 
1 1 1    0   32   13 o   75.331   31.685   8.2117   10.504   16.520   16.922   3.0044   13.397   90.107   39.102   71.306   32.565 18.80045 50.88700 
1 1 1    0   32   14 o   75.244   31.003   8.8341   9.7592   33.000   21.921   2.8603   10.899  105.461   45.119   66.778   30.045 38.68272 54.20719 
1 1 1    0   32   15 o   79.381   31.985   11.171   10.114   13.717   16.059   9.4978   13.021   84.190   37.261   77.664   33.991 6.526161 50.43594 
1 1 1    0   32   16 o   83.340   31.342   13.168   9.1888   10.509   13.820   15.274   12.302   78.505   34.665   85.898   35.032 -7.393539 49.28404 
1 1 1    0   32   17 o   62.128   27.866   2.6518   9.2943   4.7938   13.936   0.9358   12.473   70.872   32.678   65.029   30.303 5.843254 44.56597 
1 1 1    0   32   18 o   54.724   25.499  -1.6833   8.8305   2.6583   12.964  -5.4416   12.061   66.827   31.058   57.679   27.712 9.148228 41.62330 
1 1 1    0   32   19 o   62.146   27.145   4.2793   8.2678  -2.9593   11.304   12.607   12.124   58.055   27.597   78.498   33.568 -20.44346 43.45641 
1 1 1    0   32   20 o   69.927   29.412   8.3744   9.0499   14.112   12.545   2.1485   13.068   79.693   34.115   65.003   30.525 14.68999 45.77746 
1 1 1    0   32   21 o   74.517   29.779   10.969   8.6891   17.426   12.405   4.7485   12.175   83.930   34.801   65.991   30.468 17.93925 46.25397 
1 1 1    0   32   22 f  104.779   34.377   25.862   10.777   36.470   20.348   21.727   12.705   94.536   41.887   89.431   35.913 5.105759 55.17522 
1 1 1    0   32   23 o   54.040   25.027   0.5878   8.3070  -4.1340   20.227   1.5458   9.1108   63.708   31.656   56.692   26.239 7.016201 41.11637 
1 1 1    0   32   24 o   64.201   27.883   7.4457   8.6185   14.100   20.613   6.0360   9.4876   71.373   34.749   62.340   28.042 9.032848 44.65239 
1 1 1    0   32   25 f   53.524   24.749   1.7021   8.0769 -18.1400   19.776   5.6747   8.8486   55.270   27.970   60.166   27.071 -4.896244 38.92491 
1 1 1    0   32   26 o   69.118   30.400   12.567   10.529 -10.8200   18.595   23.604   12.774   55.549   27.989   82.649   34.862 -27.09989 44.70751 
1 1 1    0   32   27 o   54.873   27.064  -1.5940   13.814   9.2580   19.129 -13.4200   19.969   62.635   31.065   54.345   27.567 8.290417 41.53273 
1 1 1    0   32   28 o   55.583   25.640   4.9598   8.5938   0.0000   0.0000   4.9598   8.5938  ?   ?    55.583   25.640 0.000000 25.64021 
1 1 1    0   32   29 o   48.172   23.823  -4.5664   10.955   0.0000   0.0000  -4.5664   10.955  ?   ?    48.172   23.823 0.000000 23.82310 
1 1 1    0   32   30 o   48.251   23.311  -0.0960   8.8211 -33.5800   22.105   6.2461   9.6202   47.925   24.634   55.425   26.079 -7.500824 35.87438 
1 1 1    0   32   31 o   43.509   21.451  -4.4311   8.6483 -10.9200   21.308  -3.1514   9.4628   50.895   26.048   45.661   22.497 5.234104 34.41838 
1 1 1    0   32   32 o   39.096   19.463  -7.3115   7.7951   2.4940   18.136  -9.5335   8.6333   52.025   26.378   39.283   19.695 12.74200 32.91917 
1 1 1    0   32   33 f   43.045   21.402  -3.7118   9.3060  -9.1660   21.749  -2.4894   10.296   48.263   24.802   44.846   22.333 3.417328 33.37482 
1 1 1    0   32   34 o   52.595   27.021   27.590   25.631   27.590   25.631   0.0000   0.0000   52.595   27.021  ?   ?  0.000000 27.02122 
1 1 1    0   33    1 o  163.855   38.954   52.692   16.291   52.692   16.291   0.0000   0.0000  163.855   38.954  ?   ?  0.000000 38.95450 
1 1 1    0   33    2 o  140.781   33.175   35.575   11.899   36.768   14.065   32.570   22.320  135.501   38.346  109.616   46.152 25.88463 60.00385 
1 1 1    0   33    3 o   86.485   35.677   13.218   12.942   28.042   15.980 -15.0500   22.066  110.901   41.405   70.719   34.747 40.18176 54.05317 
1 1 1    0   33    4 o   77.170   32.766   8.3701   11.404   5.4709   14.542   13.000   18.377   76.393   34.507   87.524   39.225 -11.13110 52.24294 
1 1 1    0   33    5 o   89.680   34.217   15.068   11.049   30.084   16.336   2.4069   15.000  112.982   41.927   73.283   33.829 39.69981 53.87276 
1 1 1    0   33    6 o   58.778   27.239  -2.1104   9.8641  -0.5501   15.201  -3.2452   12.964   70.351   33.000   64.148   30.211 6.203156 44.74023 
1 1 1    0   33    7 o   55.271   25.953  -3.9796   9.4445   14.120   13.541 -21.1243   13.179   86.436   36.143   51.247   25.479 35.18937 44.22074 
1 1 1    0   33    8 o   51.635   24.732  -7.1805   9.4454  -5.6333   14.660  -8.2785   12.350   64.402   30.838   57.826   27.848 6.575775 41.55075 
1 1 1    0   33    9 o   85.090   31.327   13.382   9.0864   2.8419   12.784   24.144   12.918   69.230   31.690  104.703   37.520 -35.47387 49.11264 
1 1 1    0   33   10 o   67.264   29.058   5.2489   9.2609   0.7613   14.445   8.3809   12.067   68.753   32.224   75.228   32.828 -6.475067 46.00078 
1 1 1    0   33   11 f   72.087   34.430   0.8231   18.026   0.8231   18.026   0.0000   0.0000   72.087   34.430  ?   ?  0.000000 34.42963 
1 1 1    0   33   12 o   48.597   23.965 -14.2354   10.818  -1.7710   20.491 -19.0518   12.738   71.767   34.873   50.193   24.970 21.57405 42.89066 
1 1 1    0   33   13 o   76.319   31.893   10.636   10.534 -19.9800   20.785   21.218   12.220   62.449   31.198   95.804   36.121 -33.35541 47.72846 
1 1 1    0   33   14 o   56.325   25.959  -0.2131   8.7785   19.459   13.124 -16.1415   11.809   89.877   36.357   49.212   24.408 40.66462 43.78990 
1 1 1    0   33   15 o  102.159   32.380   21.741   9.6132   10.476   14.844   29.879   12.617   75.522   34.408  111.842   37.220 -36.31982 50.68813 
1 1 1    0   33   16 o   72.811   30.312   9.8672   9.4655   9.6961   13.879   10.016   12.942   73.545   33.416   73.679   32.976 -0.1339951 46.94761 
1 1 1    0   33   17 o   92.411   30.342   17.541   8.3947   15.699   11.840   19.404   11.904   81.687   33.946   88.491   35.017 -6.804283 48.77002 
1 1 1    0   33   18 o  105.411   31.765   23.612   9.3904   22.024   12.988   25.350   13.592   90.058   36.260   94.751   37.442 -4.693436 52.12199 
1 1 1    0   33   19 o   85.179   30.988   16.121   8.8533   16.543   11.890   15.595   13.263   80.761   33.827   78.030   34.224 2.731697 48.12015 
1 1 1    0   33   20 o   53.430   24.568   0.9630   7.8020   2.0984   10.233  -0.6131   12.057   58.740   27.397   58.306   27.931 0.4339638 39.12479 
1 1 1    0   33   21 o   43.847   21.428  -7.5434   8.0520  -9.8567   10.947  -4.8164   11.885   48.658   24.016   53.850   26.254 -5.191990 35.58183 
1 1 1    0   33   22 o   59.230   26.578   5.1750   8.4655   0.0814   11.614   10.949   12.365   56.540   27.172   68.025   31.149 -11.48495 41.33508 
1 1 1    0   33   23 o   53.435   24.199   2.9968   7.2056   8.3280   19.930   2.1951   7.7284   64.450   31.919   52.945   24.384 11.50570 40.16749 
1 1 1    0   33   24 o   62.302   28.631   8.6192   10.576   21.590   19.765   3.4163   12.518   69.350   33.821   57.704   27.851 11.64648 43.81292 
1 1 1    0   33   25 o   50.794   25.311  -6.4315   13.313  -8.5580   17.812  -3.7400   20.039   53.563   27.039   56.395   28.494 -2.831886 39.28086 
1 1 1    0   33   26 o   36.923   18.792 -22.8467   9.8453 -26.6800   17.167 -20.9679   12.018   46.446   23.739   41.709   21.181 4.737236 31.81489 
1 1 1    0   33   27 f   64.609   29.759   14.819   11.514   0.0000   0.0000   14.819   11.514  ?   ?    64.609   29.759 0.000000 29.75858 
1 1 1    0   33   28 o   76.781   31.067   20.620   9.5851   27.560   21.748   18.947   10.678   62.559   31.350   70.045   30.716 -7.486004 43.88903 
1 1 1    0   33   29 o   56.388   26.184   8.7474   9.1842   25.690   22.393   5.3210   10.070   59.689   30.153   52.585   25.279 7.103607 39.34780 
1 1 1    0   33   30 o   50.372   24.197   4.5154   9.1884 -32.8500   22.399   12.076   10.075   45.519   23.466   58.208   27.161 -12.68859 35.89351 
1 1 1    0   33   31 o   41.046   20.387  -4.4181   8.3592  -5.1400   19.550  -4.2566   9.2471   48.051   24.619   42.335   21.095 5.716324 32.42098 
1 1 1    0   33   32 o   43.709   21.416   0.6550   8.1997   22.660   20.084  -3.7466   8.9825   53.022   26.971   41.280   20.605 11.74259 33.94103 
1 1 1    0   34    0 o  117.038   39.812   24.689   14.434   26.180   20.631   23.260   20.201  116.116   46.051  111.916   45.165 4.199997 64.50249 
1 1 1    0   34    1 o   49.570   24.071  -9.3257   9.7210 -15.1647   14.003  -3.8939   13.506   55.178   27.221   62.323   29.776 -7.145439 40.34357 
1 1 1    0   34    2 o   50.979   24.361  -5.8624   9.0486 -11.3032   13.182  -1.0139   12.443   55.997   27.376   63.189   29.709 -7.192413 40.39939 
1 1 1    0   34    3 o   77.684   30.851   11.027   9.2711   23.566   13.933   1.0645   12.419   98.323   38.186   65.194   30.332 33.12919 48.76674 
1 1 1    0   34    4 o   66.953   28.813   5.8374   9.0353   7.0403   13.524   4.8675   12.143   72.972   33.090   69.069   31.334 3.903290 45.57160 
1 1 1    0   34    5 o   47.657   23.295 -10.6611   9.5301  -8.5545   14.617 -12.2188   12.569   60.047   29.241   53.779   26.383 6.268181 39.38400 
1 1 1    0   34    6 o   55.814   25.968  -1.3666   9.1027  -9.8289   13.952   4.9054   12.011   57.845   28.255   68.450   31.095 -10.60532 42.01536 
1 1 1    0   34    7 o   76.273   31.467   10.918   10.069   12.202   14.724   9.7902   13.799   78.546   35.162   75.377   33.871 3.168556 48.82213 
1 1 1    0   34    8 o   57.050   26.393  -0.2341   9.2027   0.1321   14.027  -0.5109   12.194   65.064   30.875   62.002   29.230 3.062351 42.51669 
1 1 1    0   34    9 o   46.754   22.531  -6.6011   8.1175  -8.9700   10.899  -3.6494   12.165   51.760   25.215   58.693   28.101 -6.933689 37.75492 
1 1 1    0   34   10 o   68.666   30.419   7.0571   10.726   0.5460   19.541   9.8649   12.832   69.358   33.782   73.590   32.893 -4.232018 47.15081 
1 1 1    0   34   11 o   48.974   23.968  -9.8299   10.183  -5.4560   18.811 -11.6428   12.110   64.843   31.904   51.883   25.541 12.96068 40.86818 
1 1 1    0   34   12 o   49.080   23.557  -5.2277   8.6695 -12.0077   13.532  -0.5070   11.291   53.980   26.654   59.182   27.970 -5.202168 38.63655 
1 1 1    0   34   13 o   78.295   30.663   13.040   9.0423  -4.3259   14.902   23.159   11.376   60.486   29.470   96.572   35.127 -36.08537 45.85194 
1 1 1    0   34   14 o   59.553   27.210   2.8970   9.3667   3.3070   13.470   2.5131   13.034   64.461   30.491   63.333   29.968 1.128597 42.75302 
1 1 1    0   34   15 o   55.789   25.566   1.6384   8.3516   1.9897   11.580   1.2577   12.056   60.742   28.590   60.556   28.703 0.1857147 40.51265 
1 1 1    0   34   16 o  115.504   30.722   27.956   9.3516   27.715   13.079   28.208   13.376   96.862   37.164   96.802   37.465 0.5988312E-01 52.77148 
1 1 1    0   34   17 o   53.132   24.828   0.2017   8.4678  -5.2093   10.984   8.1287   13.295   52.227   25.414   66.665   31.138 -14.43782 40.19250 
1 1 1    0   34   18 o   52.010   24.005   1.0130   7.5483   16.302   10.223 -17.3142   11.193   78.882   32.025   44.422   22.293 34.46020 39.02034 
1 1 1    0   34   19 o   86.799   31.078   18.687   8.8608   26.597   12.465   10.607   12.598   91.046   35.894   66.929   30.934 24.11697 47.38464 
1 1 1    0   34   20 o   58.103   26.399   5.2129   8.6607  -3.4522   12.392   13.486   12.109   53.384   26.191   69.056   31.313 -15.67189 40.82274 
1 1 1    0   34   21 o   73.163   29.296   13.955   8.4274   13.792   12.589   14.087   11.344   67.378   31.064   68.812   30.830 -1.434227 43.76628 
1 1 1    0   34   22 o  101.062   30.446   25.294   8.6276   23.487   11.947   27.262   12.472   79.825   33.696   84.397   34.937 -4.572319 48.53842 
1 1 1    0   34   23 o   64.656   30.788   15.844   14.191   13.030   19.745   18.850   20.409   60.907   30.424   63.219   31.476 -2.311996 43.77621 
1 1 1    0   34   24 o   57.440   27.169   8.0342   10.694   13.650   19.519   5.6256   12.783   59.543   29.818   55.542   27.112 4.000610 40.30090 
1 1 1    0   34   25 o   54.566   25.884   6.3832   9.8402   0.0000   0.0000   6.3832   9.8402  ?   ?    54.566   25.884 0.000000 25.88361 
1 1 1    0   34   26 o   39.355   19.826 -12.1567   9.3099  -8.0380   17.616 -13.7528   10.966   49.242   25.069   41.285   20.885 7.957180 32.62856 
1 1 1    0   34   27 o   58.866   26.342   10.763   8.2548   35.320   20.515   6.0183   9.0170   62.632   31.243   52.094   24.730 10.53808 39.84594 
1 1 1    0   34   28 o   42.334   20.836  -2.5332   8.0473   47.690   21.874 -10.3945   8.6542   63.701   31.851   38.098   19.183 25.60356 37.18124 
1 1 1    0   34   29 o   38.599   19.427  -8.8078   8.8252 -59.6700   22.094   0.8481   9.6266   40.295   20.878   45.565   22.496 -5.270508 30.69135 
1 1 1    0   34   30 o   39.371   19.796  -6.4564   9.0449 -10.2400   22.235  -5.7062   9.9012   45.479   23.442   40.752   20.520 4.726490 31.15390 
1 1 1    0   34   31 o   32.781   16.747 -17.0616   8.4528 -26.5300   19.121 -14.7619   9.4236   40.552   20.936   35.226   17.970 5.325935 27.59060 
1 1 1    0   35    1 o   39.601   19.682 -13.3182   7.8398 -21.0644   11.041  -5.4402   11.134   43.728   21.971   54.179   26.178 -10.45122 34.17680 
1 1 1    0   35    2 o   46.393   22.693  -9.2192   9.0937   0.6908   12.781 -19.3782   12.941   62.087   29.465   48.663   24.356 13.42390 38.22853 
1 1 1    0   35    3 o   45.562   22.424 -10.9424   9.3145   8.4771   13.187 -30.2784   13.159   70.309   32.185   44.304   22.464 26.00510 39.24918 
1 1 1    0   35    4 o   68.659   28.941   8.5008   8.7930   6.0788   12.356   10.986   12.516   66.939   30.830   73.076   32.587 -6.137009 44.86003 
1 1 1    0   35    5 o   57.763   27.033   0.4370   10.103   16.426   14.867 -13.2815   13.771   78.996   35.351   53.124   26.349 25.87244 44.09016 
1 1 1    0   35    6 o   83.056   31.632   15.608   9.4311  -1.6164   14.438   28.426   12.456   61.369   29.691  103.663   36.875 -42.29354 47.34259 
1 1 1    0   35    7 o   69.395   29.294   9.2278   9.0300   20.674   13.352  -0.4202   12.258   85.606   35.851   59.543   28.426 26.06323 45.75277 
1 1 1    0   35    8 f   43.319   21.455 -12.2793   9.0105 -24.7965   13.620  -2.5379   12.015   46.839   23.644   57.115   27.496 -10.27643 36.26401 
1 1 1    0   35    9 o   84.888   32.765   17.682   10.209   46.370   16.294  -0.8544   13.098  120.438   42.241   59.613   28.701 60.82483 51.06882 
1 1 1    0   35   10 o   46.079   22.772 -11.2402   9.9506  -4.6060   17.678 -14.3170   12.039   61.223   30.274   48.526   24.162 12.69688 38.73447 
1 1 1    0   35   11 o   50.187   23.595  -1.2827   7.8480 -10.3107   12.172   5.1407   10.267   50.889   25.156   62.056   28.404 -11.16716 37.94231 
1 1 1    0   35   12 o   56.971   25.643   3.5602   7.9481   5.8636   10.604   0.6071   12.007   62.737   28.771   58.419   27.956 4.317276 40.11614 
1 1 1    0   35   13 o   75.960   30.126   13.664   8.8295   11.025   12.655   16.167   12.325   68.792   31.505   75.713   33.105 -6.920525 45.69999 
1 1 1    0   35   14 o   75.037   30.260   13.802   9.0612   5.9632   12.606   22.182   13.034   62.625   29.584   82.528   35.035 -19.90262 45.85502 
1 1 1    0   35   15 o   58.020   28.019   1.4965   12.712   0.0000   0.0000   1.4965   12.712  ?   ?    58.020   28.019 0.000000 28.01890 
1 1 1    0   35   16 o   62.723   27.100   8.1206   8.0572   24.637   11.819  -6.2204   11.013   87.152   34.763   49.575   24.395 37.57697 42.46891 
1 1 1    0   35   17 o   42.442   20.915  -7.8221   8.1930 -10.4904   11.623  -5.1869   11.551   47.279   23.573   50.430   24.849 -3.151100 34.25146 
1 1 1    0   35   18 o   51.047   24.068   1.3632   8.2693  -7.7616   11.803   10.160   11.589   48.450   24.092   62.751   29.230 -14.30165 37.87903 
1 1 1    0   35   19 o   40.019   19.731  -7.1055   7.3182  -6.2206   10.398  -7.9741   10.302   46.703   23.117   45.418   22.571 1.285492 32.30859 
1 1 1    0   35   20 o   55.737   26.391   5.8868   10.139  -8.1200   20.070   10.687   11.749   52.981   26.951   60.521   28.581 -7.539612 39.28428 
1 1 1    0   35   21 o   67.651   31.942   23.097   14.661   36.080   21.211   11.220   20.288   67.442   33.314   57.788   29.132 9.653835 44.25509 
1 1 1    0   35   22 o   43.999   22.022  -7.7701   10.577  -6.1299   12.756 -11.3800   18.924   47.224   23.713   49.467   25.254 -2.242996 34.64171 
1 1 1    0   35   23 o   46.450   23.233  -4.2244   11.688   0.0000   0.0000  -4.2244   11.688  ?   ?    46.450   23.233 0.000000 23.23349 
1 1 1    0   35   24 o   47.517   23.255   1.2465   9.5854 -15.4200   18.279   7.5675   11.257   46.377   23.765   53.023   25.784 -6.646076 35.06528 
1 1 1    0   35   25 o   38.292   19.272  -9.9370   8.6770   7.8800   16.924 -16.2906   10.106   51.725   26.140   37.705   19.175 14.01908 32.41886 
1 1 1    0   35   26 o   40.140   20.107  -6.3965   8.9074 -17.9400   18.086  -2.7000   10.235   44.063   22.642   43.808   21.886 0.2553329 31.49057 
1 1 1    0   35   27 o   41.535   20.551  -1.8276   8.1918  -5.3490   20.949  -1.1920   8.9005   46.387   23.852   42.711   21.184 3.676056 31.90099 
1 1 1    0   35   28 o   41.025   20.403  -1.6987   8.4805  -4.7310   21.692  -1.1516   9.2138   45.244   23.313   42.017   20.956 3.226906 31.34709 
1 1 1    0   35   29 o   42.254   20.938   1.5008   8.6195   9.4070   22.516   0.1432   9.3302   45.819   23.616   41.737   20.858 4.082359 31.50822 
1 1 1    0   36    0 o   63.148   29.274  -1.9422   11.407 -12.2600   16.155   8.3180   16.110   63.693   30.953   81.724   36.669 -18.03117 47.98646 
1 1 1    0   36    1 o   63.807   27.957   7.4479   8.8308   34.550   13.000 -15.7697   12.033  108.388   37.747   46.991   23.514 61.39727 44.47160 
1 1 1    0   36    2 o   56.729   26.122   2.8262   8.8634 -13.9059   12.810   18.195   12.277   49.294   24.605   79.032   33.787 -29.73753 41.79713 
1 1 1    0   36    3 o   62.430   27.185   6.8739   8.2351   11.192   11.820   2.8013   11.480   69.166   31.189   59.428   28.122 9.737774 41.99510 
1 1 1    0   36    4 f   51.199   24.487  -2.1550   9.1844   5.2551   13.697  -8.2086   12.380   63.065   30.091   51.733   25.535 11.33189 39.46498 
1 1 1    0   36    5 o   70.781   29.661   11.611   9.1492   12.834   14.035   10.707   12.065   69.961   32.446   68.048   31.010 1.912727 44.88156 
1 1 1    0   36    6 o   66.236   27.498   9.0592   7.7587   4.0316   11.450   13.328   10.550   60.081   28.325   72.255   31.115 -12.17337 42.07657 
1 1 1    0   36    7 o   81.615   31.412   17.184   9.3628   25.167   13.836   10.439   12.717   84.770   36.045   66.944   30.989 17.82570 47.53498 
1 1 1    0   36    8 o   61.981   28.056   6.9894   9.6725  -3.4700   16.442   12.525   11.961   57.919   28.738   69.172   31.266 -11.25238 42.46694 
1 1 1    0   36    9 o   54.806   25.539   2.3698   8.8593  -3.3830   13.120   7.1918   12.011   54.632   26.833   62.501   29.323 -7.869392 39.74695 
1 1 1    0   36   10 o   53.488   24.779   2.3104   8.1527 -16.9650   11.547   21.469   11.512   44.312   22.293   82.286   33.762 -37.97406 40.45761 
1 1 1    0   36   11 o   52.872   24.706   1.9022   8.3823 -14.2056   12.551   14.872   11.262   47.046   23.609   70.971   31.318 -23.92469 39.21983 
1 1 1    0   36   12 o   55.884   25.756   4.3348   8.6424  -2.1037   11.996   11.282   12.461   52.951   25.936   64.775   30.219 -11.82438 39.82261 
1 1 1    0   36   13 o   50.729   24.090   0.6472   8.5700  -2.9265   12.105   4.2389   12.135   51.942   25.563   57.312   27.601 -5.370880 37.62055 
1 1 1    0   36   14 o   56.875   25.822   6.0344   8.2672   9.3815   12.515   3.4429   11.012   61.027   29.019   55.253   26.528 5.773956 39.31695 
1 1 1    0   36   15 o   53.254   24.689   4.0666   8.1154   3.1363   11.359   5.0364   11.598   54.383   26.317   56.094   27.007 -1.710548 37.70843 
1 1 1    0   36   16 o   60.683   26.297   9.1787   7.6318   2.7269   10.321   16.963   11.337   52.543   25.342   67.887   30.584 -15.34449 39.71921 
1 1 1    0   36   17 o   53.806   24.703   5.6582   7.8473   20.382   12.141  -4.9067   10.284   69.161   31.358   45.945   22.785 23.21623 38.76226 
1 1 1    0   36   18 o   45.781   22.559  -2.8313   9.5249   17.460   20.005  -8.7796   10.831   58.576   29.451   43.794   21.971 14.78193 36.74356 
1 1 1    0   36   19 o   42.243   21.557 -19.8539   13.658  -9.2020   19.681 -29.7500   18.969   49.434   25.279   44.596   22.919 4.837582 34.12159 
1 1 1    0   36   20 o   52.477   25.675   6.7415   11.661   15.120   15.341  -4.7210   17.944   56.670   28.055   49.040   24.997 7.630581 37.57558 
1 1 1    0   36   21 o   57.154   26.611   11.826   9.5867   14.940   13.428   8.5900   13.691   56.449   27.604   52.460   26.062 3.989487 37.96388 
1 1 1    0   36   22 o   68.882   30.092   22.157   10.165   34.719   12.935   1.8780   16.435   74.971   33.299   48.816   24.788 26.15499 41.51208 
1 1 1    0   36   23 o   52.557   24.775   9.0684   8.7552   10.872   11.885   6.9288   12.947   52.288   25.653   49.638   24.771 2.650047 35.66021 
1 1 1    0   36   24 o   45.477   22.100   3.1228   8.2338 -28.0800   18.166   11.191   9.2372   41.070   21.170   53.389   25.253 -12.31910 32.95266 
1 1 1    0   36   25 o   49.840   23.785   8.5664   8.5656   13.850   18.640   7.1520   9.6442   48.830   24.940   48.018   23.463 0.8112526 34.24194 
1 1 1    0   36   26 o   44.825   21.821   4.6372   8.1210   25.760   18.588  -0.3456   9.0282   50.405   25.669   41.406   20.666 8.998608 32.95448 
1 1 1    0   36   27 o   48.075   23.160   9.7215   8.5612   34.160   21.851   5.2895   9.3052   48.625   24.979   44.040   21.811 4.584145 33.16154 
1 1 1    0   37    1 f   76.137   30.420   16.242   9.0645   25.825   13.281   7.8847   12.402   81.249   34.949   60.916   28.943 20.33295 45.37785 
1 1 1    0   37    2 o   35.128   17.825 -20.3622   8.3980 -22.7920   12.502 -18.3645   11.336   42.706   21.678   42.492   21.464 0.2141991 30.50693 
1 1 1    0   37    3 o   46.390   22.451  -3.0803   8.2709  -1.8385   12.252  -4.1202   11.211   52.883   25.965   50.148   24.665 2.734962 35.81270 
1 1 1    0   37    4 o   52.885   24.616   2.8657   8.1945   11.663   12.133  -4.5119   11.111   64.255   29.923   49.618   24.434 14.63702 38.63171 
1 1 1    0   37    5 o   44.348   21.736  -5.5374   8.4688  -6.2770   12.890  -4.9758   11.233   50.480   25.114   49.293   24.330 1.186562 34.96595 
1 1 1    0   37    6 f   60.080   27.003   8.0369   8.7773   9.8214   12.791   6.4487   12.067   61.543   29.285   58.504   28.004 3.039402 40.51955 
1 1 1    0   37    7 o   56.949   26.688   5.8535   9.9025   2.3360   17.224   7.5903   12.103   57.040   28.481   59.132   28.234 -2.091396 40.10375 
1 1 1    0   37    8 o   75.951   30.514   17.519   9.1765   15.230   16.485   18.546   11.046   63.397   30.911   72.649   31.560 -9.252739 44.17594 
1 1 1    0   37    9 f   58.646   26.206   7.8306   8.1395  -1.7630   10.871   20.071   12.279   49.945   24.509   71.335   32.010 -21.39038 40.31541 
1 1 1    0   37   10 o   60.833   27.191   9.7560   8.7691   13.789   12.283   5.5638   12.523   63.157   29.638   55.899   27.185 7.258827 40.21729 
1 1 1    0   37   11 o   48.335   23.143   0.7797   8.2528   1.0251   12.329   0.5804   11.109   52.026   25.642   50.899   24.936 1.126446 35.76794 
1 1 1    0   37   12 o   46.013   22.337  -1.2108   8.3540 -10.0342   11.931   7.2760   11.701   44.985   22.635   55.678   26.887 -10.69319 35.14556 
1 1 1    0   37   13 o   55.909   25.185   7.6287   7.6843  -0.9413   10.281   18.477   11.567   47.918   23.578   66.164   30.233 -18.24559 38.34058 
1 1 1    0   37   14 o   47.990   22.812   2.3804   7.7218  -4.4914   11.552   7.9304   10.382   46.306   23.152   54.700   26.126 -8.393158 34.90846 
1 1 1    0   37   15 o   46.700   22.849   0.2674   9.2365   9.7900   18.029  -3.1211   10.755   53.915   27.215   45.742   22.786 8.173077 35.49482 
1 1 1    0   37   16 o   46.770   23.606  -3.9403   13.545 -10.0400   19.490   1.7580   18.837   47.716   24.456   50.466   25.714 -2.750374 35.48681 
1 1 1    0   37   17 o   47.593   23.385   2.4372   9.9953   5.8250   11.772  -6.3150   18.921   50.380   24.874   47.592   24.371 2.788593 34.82338 
1 1 1    0   37   18 o   51.442   25.149   8.5059   11.122  -5.6540   15.366   24.090   16.120   45.694   23.277   57.527   28.529 -11.83316 36.81961 
1 1 1    0   37   19 o   41.869   20.987  -4.2643   9.7782  -8.8256   13.551   0.6906   14.124   43.021   21.910   46.687   23.627 -3.666073 32.22250 
1 1 1    0   37   20 o   46.568   22.638   4.2630   8.6585   6.5297   13.171   2.5378   11.490   48.277   24.221   46.079   23.046 2.198017 33.43356 
1 1 1    0   37   21 o   51.319   24.361   9.8532   8.7485   1.9281   13.243   15.991   11.654   45.442   22.983   53.743   26.157 -8.301144 34.81981 
1 1 1    0   37   22 o   36.976   18.614  -6.7360   8.1225  -4.7628   12.415  -8.2128   10.740   41.790   21.253   39.276   19.953 2.514751 29.15127 
1 1 1    0   37   23 o   41.786   20.636   1.5137   8.1227   0.2084   10.822   3.1979   12.293   42.239   21.292   43.948   22.218 -1.709206 30.77286 
1 1 1    0   37   24 o   39.631   20.125  -3.6676   10.841   27.570   19.659 -17.3176   12.995   47.988   24.594   36.991   19.011 10.99717 31.08475 
1 1 1    0   37   25 o   32.664   16.716 -14.5924   8.7567  -4.1150   17.009 -18.3706   10.214   40.521   20.868   33.350   17.131 7.170368 26.99843 
1 1 1    0   37   26 o   45.015   22.566   13.822   11.318 -11.6800   19.062   27.706   14.065   38.553   19.957   48.596   24.467 -10.04321 31.57439 
1 1 1    0   38    0 o   88.198   35.917   19.843   12.907   37.250   18.080   1.7540   18.431  104.928   42.594   68.813   33.353 36.11539 54.09844 
1 1 1    0   38    1 o   40.041   19.949  -8.2042   8.2546   0.6364   11.428 -17.8494   11.936   50.189   24.727   41.436   21.049 8.753193 32.47312 
1 1 1    0   38    2 o   48.054   22.697   2.0897   7.4153   1.4694   10.210   2.7821   10.787   49.888   24.325   51.288   25.007 -1.399879 34.88615 
1 1 1    0   38    3 o   43.984   21.597  -3.2794   8.4792  -7.2065   12.006   0.6282   11.977   45.979   23.076   50.308   24.885 -4.329033 33.93772 
1 1 1    0   38    4 o   40.759   20.269  -7.1472   8.3628 -20.5847   11.932   5.8250   11.724   40.197   20.480   53.577   26.111 -13.38069 33.18470 
1 1 1    0   38    5 o   41.732   20.601  -4.8981   8.0679  -4.8465   11.630  -4.9460   11.201   46.460   23.229   45.976   22.959 0.4830894 32.66003 
1 1 1    0   38    6 o   50.542   24.206   3.9067   9.0431 -11.6100   15.990   11.204   10.965   46.965   23.907   57.711   27.360 -10.74672 36.33344 
1 1 1    0   38    7 o   38.712   19.573 -13.6885   9.5571   5.3070   16.508 -23.2654   11.721   52.726   26.542   38.496   19.671 14.23001 33.03672 
1 1 1    0   38    8 o   62.477   27.383   13.231   8.4771   6.0804   12.543   19.245   11.502   52.267   25.781   64.525   29.729 -12.25879 39.35019 
1 1 1    0   38    9 o   53.894   25.026   7.9191   8.3900   5.1014   11.229   11.480   12.623   50.941   24.980   55.322   26.991 -4.380577 36.77648 
1 1 1    0   38   10 o   38.251   19.242  -9.9188   8.5918 -11.1478   12.028  -8.6384   12.277   42.396   21.494   43.658   22.087 -1.261833 30.81905 
1 1 1    0   38   11 f   59.675   27.171   13.867   9.2379   4.5410   16.279   18.297   11.219   50.092   25.352   61.336   28.634 -11.24384 38.24487 
1 1 1    0   38   12 f   83.765   32.363   29.600   9.9677   39.360   17.439   24.864   12.148   64.401   31.486   65.318   30.255 -0.9170837 43.66555 
1 1 1    0   38   13 o   50.975   25.983   12.570   19.385   0.0000   0.0000   12.570   19.385  ?   ?    50.975   25.983 0.000000 25.98265 
1 1 1    0   38   14 o   37.544   19.215 -19.5090   11.592  -9.3270   15.135 -33.9600   18.031   43.561   22.267   40.259   20.767 3.302052 30.44795 
1 1 1    0   38   15 o   49.993   24.760   9.7845   11.994   27.110   17.309  -6.2170   16.635   54.893   27.572   44.455   22.772 10.43740 35.75959 
1 1 1    0   38   16 o   52.895   25.554   13.551   10.601   25.359   13.520  -5.2980   17.082   57.733   28.115   44.219   22.680 13.51447 36.12272 
1 1 1    0   38   17 o   42.813   21.207   1.1150   8.8098  -2.1997   12.355   4.5432   12.565   42.873   21.741   45.750   23.046 -2.876476 31.68282 
1 1 1    0   38   18 o   50.320   23.899   10.134   8.4391   16.859   11.138   1.0691   12.931   53.085   25.775   43.715   22.176 9.370049 34.00195 
1 1 1    0   38   19 o   44.492   21.697   4.9624   8.1297  -8.8442   11.485   18.830   11.510   38.831   19.811   52.941   25.817 -14.11000 32.54184 
1 1 1    0   38   20 o   47.612   23.186   10.063   9.1928   3.6244   13.027   16.449   12.974   43.148   21.926   48.580   24.325 -5.431915 32.74834 
1 1 1    0   38   21 f   39.127   19.680  -0.9614   8.9765   6.7385   13.285  -7.4302   12.177   43.286   22.010   38.440   19.675 4.846111 29.52204 
1 1 1    0   38   22 o   49.184   23.668   14.102   8.8828   17.845   13.460   11.214   11.823   46.160   23.326   44.303   22.322 1.856720 32.28553 
1 1 1    0   38   23 o   40.177   20.070   4.1241   8.5981   6.0884   13.383   2.7436   11.220   40.786   20.856   39.667   20.176 1.119205 29.01749 
1 1 1    0   38   24 o   38.072   19.606  -0.5135   14.994 -19.4800   21.826   16.440   20.635   36.833   19.125   40.472   20.928 -3.639435 28.35024 
1 1 1    0   39    1 o  101.870   30.401   32.125   8.6319   22.624   12.229   41.559   12.186   61.397   29.045   87.820   35.206 -26.42368 45.64042 
1 1 1    0   39    2 f   47.070   22.897   3.8775   8.8997 -11.5329   12.441   20.028   12.736   41.328   21.042   58.047   28.035 -16.71854 35.05362 
1 1 1    0   39    3 o   41.503   20.534  -2.1206   8.1705  -5.2967   11.921   0.6933   11.221   43.198   21.843   45.661   22.828 -2.463303 31.59496 
1 1 1    0   39    4 o   47.660   23.279   4.7844   9.4657   10.140   17.687   2.6348   11.205   49.884   25.369   46.577   23.211 3.307178 34.38487 
1 1 1    0   39    5 o   46.622   23.333   2.8023   11.865   0.0000   0.0000   2.8023   11.865  ?   ?    46.622   23.333 0.000000 23.33285 
1 1 1    0   39    6 o   46.272   23.023   3.1092   10.844 -35.2400   21.507   16.184   12.558   41.769   21.586   54.124   26.516 -12.35539 34.19144 
1 1 1    0   39    7 o   50.335   25.099   11.318   13.185   0.0000   0.0000   11.318   13.185  ?   ?    50.335   25.099 0.000000 25.09884 
1 1 1    0   39    8 o   47.102   23.909   5.4140   15.194   0.0000   0.0000   5.4140   15.194  ?   ?    47.102   23.909 0.000000 23.90904 
1 1 1    0   39    9 o   35.969   18.368 -15.9623   10.073 -13.9200   12.002 -20.8300   18.528   38.850   19.857   41.585   21.433 -2.734238 29.21719 
1 1 1    0   39   10 o   53.930   27.160   30.180   17.388   30.180   17.388   0.0000   0.0000   53.930   27.160  ?   ?  0.000000 27.15977 
1 1 1    0   39   11 o   36.878   18.902 -17.4794   11.643 -16.3400   16.355 -18.6500   16.578   40.639   20.905   40.308   20.750 0.3309975 29.45489 
1 1 1    0   39   12 f   36.386   18.547 -12.1747   9.8872  -3.9009   12.340 -27.0100   16.524   41.461   21.095   38.460   19.841 3.001244 28.95950 
1 1 1    0   39   13 o   44.697   21.982   5.2664   8.8979   15.783   12.133  -6.9707   13.088   50.088   24.824   40.439   20.674 9.649132 32.30524 
1 1 1    0   39   14 o   31.997   16.348 -15.4513   8.0734 -22.4420   10.673  -6.1025   12.343   33.626   17.283   39.913   20.378 -6.286697 26.71984 
1 1 1    0   39   15 o   41.438   20.617   2.1429   8.6964   17.023   12.920 -10.1838   11.759   48.584   24.320   37.852   19.371 10.73200 31.09124 
1 1 1    0   39   16 o   42.959   21.255   5.0926   8.7564  -4.8233   12.947   13.451   11.887   39.638   20.288   46.738   23.386 -7.100174 30.95932 
1 1 1    0   39   17 o   42.833   21.310   6.0165   9.2843   5.6023   13.277   6.4127   12.987   42.255   21.535   42.547   21.647 -0.2922668 30.53424 
1 1 1    0   39   18 o   39.625   19.931   1.8474   9.2051  -9.4828   12.672   14.504   13.394   37.097   19.056   44.438   22.546 -7.341728 29.51997 
1 1 1    0   39   19 o   34.323   17.458  -6.6577   8.4006   1.2254   11.028 -17.5577   12.967   38.994   19.850   34.865   17.967 4.128998 26.77392 
1 1 1    0   39   20 o   43.195   21.267   9.7768   8.4046   4.0757   11.475   16.375   12.344   39.177   19.971   43.507   22.026 -4.330219 29.73205 
1 1 1    0   39   21 o   35.075   17.837  -2.4390   8.7358  -3.5549   12.085  -1.2177   12.643   36.085   18.540   36.802   18.912 -0.7167969 26.48381 
1 1 1    0   40    0 o   57.243   28.488   0.6201   16.642   0.6201   16.642   0.0000   0.0000   57.243   28.488  ?   ?  0.000000 28.48756 
1 1 1    0   40    1 o   33.396   17.173 -24.4513   10.896 -24.4513   10.896   0.0000   0.0000   33.396   17.173  ?   ?  0.000000 17.17324 
1 1 1    0   40    2 o   38.112   19.530 -11.9384   12.356 -11.9384   12.356   0.0000   0.0000   38.112   19.530  ?   ?  0.000000 19.53016 
1 1 1    0   40    3 o   43.711   22.435   4.5010   17.044   4.5010   17.044   0.0000   0.0000   43.711   22.435  ?   ?  0.000000 22.43539 
1 1 1    0   40    4 o   40.849   20.720  -1.3346   11.276   8.7980   13.939 -20.5200   19.180   44.946   22.823   39.715   20.520 5.231495 30.69154 
1 1 1    0   40    5 o   38.796   19.615  -3.5246   9.5949  -8.3998   12.068   4.8530   15.820   38.644   19.764   43.431   22.244 -4.787525 29.75589 
1 1 1    0   40    6 o   38.565   19.501  -3.5254   9.5025  -4.5246   11.985  -1.8340   15.593   39.663   20.236   41.565   21.341 -1.901581 29.40990 
1 1 1    0   40    7 o   40.497   20.228   1.2301   8.7246  -1.3020   12.279   3.8122   12.399   40.653   20.718   42.514   21.582 -1.861115 29.91645 
1 1 1    0   40    8 o   39.269   19.642  -0.0605   8.3568   5.6847   11.961  -5.5401   11.681   42.967   21.745   38.744   19.785 4.222820 29.39843 
1 1 1    0   40    9 o   38.388   19.280  -1.2286   8.4521   5.8823   11.272 -10.3617   12.775   42.780   21.585   37.720   19.364 5.059628 28.99824 
1 1 1    0   40   10 o   40.581   20.331   2.4985   9.1198 -14.6480   12.604   21.339   13.212   36.305   18.658   48.402   24.281 -12.09706 30.62141 
1 1 1    0   40   11 o   40.840   20.412   3.5732   8.9452   1.7661   12.955   5.2198   12.366   40.549   20.717   41.666   21.191 -1.116863 29.63541 
1 1 1    0   40   12 o   44.787   21.962   9.6411   8.6772   8.3017   12.982   10.723   11.666   42.206   21.490   43.552   21.973 -1.345928 30.73474 
1 1 1    0   40   13 o   45.949   22.444   11.958   8.8011   13.770   12.418   10.130   12.476   43.855   22.190   42.408   21.540 1.447441 30.92513 
1 1 1    0   40   14 o   46.164   22.348   12.065   8.2111   6.8472   10.908   18.889   12.474   40.876   20.695   45.231   22.807 -4.355042 30.79700 
1 1 1    0   40   15 o   45.806   22.347   13.424   8.6490   3.9336   12.095   23.356   12.373   39.059   19.961   46.451   23.329 -7.392017 30.70276 
1 1 1    0   40   16 o   49.640   23.699   18.218   8.5237   29.154   12.852   9.6296   11.389   47.294   23.755   40.409   20.531 6.884537 31.39784 
1 1 1    0   40   17 o   36.416   18.430   1.5421   8.5938   3.3358   12.131  -0.2653   12.177   37.430   19.192   36.475   18.734 0.9546204 26.81985 
1 1 1    0   40   18 o   35.466   18.029   0.9263   8.8721   7.0274   12.380  -5.5153   12.721   37.567   19.271   34.669   17.863 2.898201 26.27681 
1 1 1    0   40   19 o   38.933   20.043   21.859   15.450   29.900   21.071   12.510   22.722   38.189   19.804   36.433   18.928 1.756466 27.39460 
1 1 1    0   41    1 o   35.969   18.265  -3.3297   8.9317   5.7528   12.882 -11.7379   12.395   40.227   20.561   35.488   18.252 4.739281 27.49371 
1 1 1    0   41    2 o   44.889   22.220   12.967   9.6127  -1.7600   16.767   20.178   11.732   38.722   19.976   46.599   23.303 -7.876904 30.69343 
1 1 1    0   41    3 o   39.212   19.717   3.4475   8.9727   23.590   15.090  -7.5700   11.160   44.526   22.716   35.738   18.330 8.787579 29.18931 
1 1 1    0   41    4 f   38.354   19.313   2.1371   8.7745  -2.3209   12.343   6.6916   12.476   37.590   19.280   40.270   20.554 -2.679684 28.18156 
1 1 1    0   41    5 o   42.372   21.100   9.3548   9.1897   3.7141   13.050   14.903   12.943   39.186   20.080   42.697   21.712 -3.511120 29.57410 
1 1 1    0   41    6 o   42.167   21.022   9.4624   9.2273   7.5402   13.296   11.248   12.815   40.014   20.486   41.250   21.035 -1.236176 29.36202 
1 1 1    0   41    7 o   37.938   19.115   2.4489   8.6662  -5.7775   12.723   9.5683   11.836   36.307   18.664   40.703   20.705 -4.396126 27.87511 
1 1 1    0   41    8 o   30.394   15.584 -13.2452   7.9906 -11.8449   10.919 -14.8596   11.724   33.686   17.315   33.529   17.270 0.1574554 24.45540 
1 1 1    0   41    9 o   34.724   17.631  -2.6384   8.3077 -24.9743   11.340   23.234   12.205   30.988   16.003   45.126   22.729 -14.13727 27.79803 
1 1 1    0   41   10 o   43.223   21.324   12.424   8.5939   9.1960   12.091   15.719   12.217   39.314   20.080   41.483   21.095 -2.169640 29.12409 
1 1 1    0   41   11 o   36.240   18.346   1.7883   8.5531   0.0247   12.696   3.2540   11.574   36.325   18.672   37.071   18.990 -0.7455559 26.63167 
1 1 1    0   41   12 o   39.179   19.546   7.6488   8.0390   5.4986   11.866   9.4729   10.929   37.208   19.071   38.696   19.704 -1.488209 27.42208 
1 1 1    0   41   13 o   32.944   16.791  -3.1607   8.0825 -15.8196   11.702   8.3891   11.177   31.782   16.407   37.612   19.219 -5.830612 25.26971 
1 1 1    0   41   14 o   34.426   17.448   1.3798   7.8858  -4.1632   10.726   7.9016   11.634   33.368   17.152   36.674   18.803 -3.305229 25.45138 
1 1 1    0   41   15 o   31.062   15.882  -4.9545   7.7445  -4.0150   10.733  -5.9751   11.186   32.847   16.899   32.548   16.770 0.2994690 23.80736 
1 1 1    0   42    0 o   40.076   20.455 -16.8661   12.351 -33.8500   17.907  -1.4570   17.057   41.156   21.205   47.874   24.400 -6.718662 32.32653 
1 1 1    0   42    1 o   32.225   16.530  -6.0146   9.0929 -10.2200   14.451  -3.2581   11.699   33.507   17.346   34.037   17.518 -0.5299644 24.65289 
1 1 1    0   42    2 o   31.868   16.372  -7.7246   9.4100 -13.6100   15.066  -3.9597   12.050   33.163   17.185   33.917   17.472 -0.7537842 24.50690 
1 1 1    0   42    3 o   34.537   17.632   0.9623   9.2321  -6.2036   13.280   7.6642   12.843   33.702   17.402   36.436   18.732 -2.733906 25.56758 
1 1 1    0   42    4 o   41.150   20.586   15.287   9.1931   28.184   13.388   3.7813   12.646   41.374   21.132   35.428   18.233 5.946457 27.91062 
1 1 1    0   42    5 o   31.347   16.066  -6.1985   8.4019  -2.6755   12.132  -9.4454   11.647   33.818   17.426   32.294   16.660 1.524117 24.10795 
1 1 1    0   42    6 o   35.520   17.981   4.5856   8.2205   14.463   12.031  -4.0645   11.259   37.779   19.353   33.102   17.044 4.676567 25.78809 
1 1 1    0   42    7 o   29.350   15.075  -9.9869   7.9077   4.8918   11.323 -24.1514   11.048   35.024   17.992   28.963   14.999 6.061108 23.42413 
1 1 1    0   42    8 f   29.203   15.008 -10.5931   8.1506 -16.2196   10.906  -3.4757   12.266   30.012   15.506   32.935   16.994 -2.923315 23.00512 
1 1 1    0   42    9 o   33.039   16.904   0.8434   8.9075   14.634   12.354 -14.0886   12.855   36.455   18.731   31.038   16.077 5.417175 24.68442 
1 1 1    0   42   10 o   31.807   16.328  -1.9107   9.0680   6.2269   12.707 -10.3554   12.945   34.046   17.556   31.276   16.198 2.769926 23.88738 
1 1 1    0   42   11 o   28.270   14.579 -13.3265   8.8006 -27.1529   12.704  -0.5693   12.203   28.619   14.854   32.300   16.678 -3.681601 22.33377 
1 1 1    0   43    1 o   34.188   17.541   13.086   10.318   2.8320   20.373   16.623   11.966   31.510   16.393   34.224   17.619 -2.713833 24.06565 
1 1 1    0   43    2 o   30.675   15.765   0.2427   8.8111 -12.5227   12.489   12.894   12.433   29.239   15.165   33.202   17.131 -3.962553 22.87871 
1 1 1    0   43    3 o   28.144   14.523  -9.7537   9.0028  -3.5134   12.879 -15.7160   12.589   30.430   15.772   28.785   14.937 1.644480 21.72240 
1 1 1    0   43    4 o   30.720   15.813   0.9500   9.5827   8.8401   13.783  -6.4331   13.333   31.981   16.568   29.981   15.552 2.000784 22.72394 
1 1 1    1    0    0 f  379.155   15.176  187.200   14.851  187.200   14.851  187.200   14.851  379.155   15.176  379.155   15.176 0.000000 0.000000 
1 1 1    1    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0    2 o   35.344   13.655   2.2082   1.1867   2.2082   1.1867   2.2082   1.1867   35.344   13.655   35.344   13.655 0.000000 0.000000 
1 1 1    1    0    3 o  228.007   10.196   67.754   5.9947   67.754   5.9947   67.754   5.9947  228.007   10.196  228.007   10.196 0.000000 0.000000 
1 1 1    1    0    4 o  145.504   10.503   27.855   3.9114   27.855   3.9114   27.855   3.9114  145.504   10.503  145.504   10.503 0.000000 0.000000 
1 1 1    1    0    5 o  488.298   11.579  309.449   14.627  309.449   14.627  309.449   14.627  488.298   11.579  488.298   11.579 0.000000 0.000000 
1 1 1    1    0    6 o  533.677   11.962  369.585   16.517  369.585   16.517  369.585   16.517  533.677   11.962  533.677   11.962 0.000000 0.000000 
1 1 1    1    0    7 o  1066.28   16.816  1474.88   46.419  1474.88   46.419  1474.88   46.419  1066.28   16.816  1066.28   16.816 0.000000 0.000000 
1 1 1    1    0    8 o  530.944   12.071  365.838   16.582  365.838   16.582  365.838   16.582  530.944   12.071  530.944   12.071 0.000000 0.000000 
1 1 1    1    0    9 o  208.821   11.569   57.019   6.2137   57.019   6.2137   57.019   6.2137  208.821   11.569  208.821   11.569 0.000000 0.000000 
1 1 1    1    0   10 o  829.768   20.718  894.700   44.467  894.700   44.467  894.700   44.467  829.768   20.718  829.768   20.718 0.000000 0.000000 
1 1 1    1    0   11 o  1139.44   17.756  1684.68   52.379  1684.68   52.379  1684.68   52.379  1139.44   17.756  1139.44   17.756 0.000000 0.000000 
1 1 1    1    0   12 o  568.911   12.564  420.065   18.494  420.065   18.494  420.065   18.494  568.911   12.564  568.911   12.564 0.000000 0.000000 
1 1 1    1    0   13 o  203.127   12.534   54.084   6.5374   54.084   6.5374   54.084   6.5374  203.127   12.534  203.127   12.534 0.000000 0.000000 
1 1 1    1    0   14 f  460.590   12.182  275.558   14.511  275.558   14.511  275.558   14.511  460.590   12.182  460.590   12.182 0.000000 0.000000 
1 1 1    1    0   15 o   98.637   23.608   14.605   5.2326   14.605   5.2326   14.605   5.2326   98.637   23.608   98.637   23.608 0.000000 0.000000 
1 1 1    1    0   16 o   55.120   28.404   5.7997   5.1902   5.7997   5.1902   5.7997   5.1902   55.120   28.404   55.120   28.404 0.000000 0.000000 
1 1 1    1    0   17 o  309.382   12.636  124.872   10.088  124.872   10.088  124.872   10.088  309.382   12.636  309.382   12.636 0.000000 0.000000 
1 1 1    1    0   18 o   55.362   28.822   5.8507   5.3837   5.8507   5.3837   5.8507   5.3837   55.362   28.822   55.362   28.822 0.000000 0.000000 
1 1 1    1    0   19 o  373.179   12.917  181.361   12.452  181.361   12.452  181.361   12.452  373.179   12.917  373.179   12.917 0.000000 0.000000 
1 1 1    1    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   21 o  573.235   13.551  426.781   20.095  426.781   20.095  426.781   20.095  573.235   13.551  573.235   13.551 0.000000 0.000000 
1 1 1    1    0   22 o  843.022   15.444  922.563   33.699  922.563   33.699  922.563   33.699  843.022   15.444  843.022   15.444 0.000000 0.000000 
1 1 1    1    0   23 o  352.625   14.297  162.010   13.010  162.010   13.010  162.010   13.010  352.625   14.297  352.625   14.297 0.000000 0.000000 
1 1 1    1    0   24 o  221.059   19.563   64.895   11.000   64.895   11.000   64.895   11.000  221.059   19.563  221.059   19.563 0.000000 0.000000 
1 1 1    1    0   25 o   82.262   38.064   12.881   8.9532   12.881   8.9532   12.881   8.9532   82.262   38.064   82.262   38.064 0.000000 0.000000 
1 1 1    1    0   26 o  638.942   14.383  530.331   23.777  530.331   23.777  530.331   23.777  638.942   14.383  638.942   14.383 0.000000 0.000000 
1 1 1    1    0   27 o  109.780   30.868   18.973   7.5985   18.973   7.5985   18.973   7.5985  109.780   30.868  109.780   30.868 0.000000 0.000000 
1 1 1    1    0   28 o  468.659   14.531  285.873   17.602  285.873   17.602  285.873   17.602  468.659   14.531  468.659   14.531 0.000000 0.000000 
1 1 1    1    0   29 o  274.743   18.010   99.378   12.691   99.378   12.691   99.378   12.691  274.743   18.010  274.743   18.010 0.000000 0.000000 
1 1 1    1    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   31 o   95.888   37.501   16.595   8.9064   16.595   8.9064   16.595   8.9064   95.888   37.501   95.888   37.501 0.000000 0.000000 
1 1 1    1    0   32 o  284.889   18.495  107.208   13.516  107.208   13.516  107.208   13.516  284.889   18.495  284.889   18.495 0.000000 0.000000 
1 1 1    1    0   33 o  250.588   26.779   85.620   16.882   85.620   16.882   85.620   16.882  250.588   26.779  250.588   26.779 0.000000 0.000000 
1 1 1    1    0   34 o  217.055   21.939   63.851   12.046   63.851   12.046   63.851   12.046  217.055   21.939  217.055   21.939 0.000000 0.000000 
1 1 1    1    0   35 o   70.786   36.999   10.058   8.8988   10.058   8.8988   10.058   8.8988   70.786   36.999   70.786   36.999 0.000000 0.000000 
1 1 1    1    0   36 o   32.325   23.191 -14.4671   9.2121 -14.4671   9.2121 -14.4671   9.2121   32.325   23.191   32.325   23.191 0.000000 0.000000 
1 1 1    1    0   37 o  216.234   21.058   63.769   11.538   63.769   11.538   63.769   11.538  216.234   21.058  216.234   21.058 0.000000 0.000000 
1 1 1    1    0   38 o  200.753   23.093   56.053   11.596   56.053   11.596   56.053   11.596  200.753   23.093  200.753   23.093 0.000000 0.000000 
1 1 1    1    0   39 o  258.363   32.091   97.280   20.584   97.280   20.584   97.280   20.584  258.363   32.091  258.363   32.091 0.000000 0.000000 
1 1 1    1    0   40 o   58.611   35.121   6.2683   9.5350   6.2683   9.5350   6.2683   9.5350   58.611   35.121   58.611   35.121 0.000000 0.000000 
1 1 1    1    0   41 o  179.314   25.323   46.854   11.086   46.854   11.086   46.854   11.086  179.314   25.323  179.314   25.323 0.000000 0.000000 
1 1 1    1    0   42 o  205.176   22.966   60.150   11.814   60.150   11.814   60.150   11.814  205.176   22.966  205.176   22.966 0.000000 0.000000 
1 1 1    1    0   43 o   72.420   39.707   12.816   10.694   12.816   10.694   12.816   10.694   72.420   39.707   72.420   39.707 0.000000 0.000000 
1 1 1    1    0   44 o   43.986   29.824  -1.8495   10.154  -1.8495   10.154  -1.8495   10.154   43.986   29.824   43.986   29.824 0.000000 0.000000 
1 1 1    1    0   45 o  166.781   32.991   46.514   12.669   46.514   12.669   46.514   12.669  166.781   32.991  166.781   32.991 0.000000 0.000000 
1 1 1    1    0   46 o   35.196   25.296 -13.2276   11.170 -13.2276   11.170 -13.2276   11.170   35.196   25.296   35.196   25.296 0.000000 0.000000 
1 1 1    1    0   47 o   33.342   24.345 -21.7300   12.730 -21.7300   12.730 -21.7300   12.730   33.342   24.345   33.342   24.345 0.000000 0.000000 
1 1 1    1    0   48 o   69.432   40.640   16.609   12.232   16.609   12.232   16.609   12.232   69.432   40.640   69.432   40.640 0.000000 0.000000 
1 1 1    1    0   49 o   41.257   29.202  -4.6241   12.856  -4.6241   12.856  -4.6241   12.856   41.257   29.202   41.257   29.202 0.000000 0.000000 
1 1 1    1    0   50 o   86.811   45.088   28.735   13.152   28.735   13.152   28.735   13.152   86.811   45.088   86.811   45.088 0.000000 0.000000 
1 1 1    1    1    0 o  1540.55   15.514  3077.88   61.910  3017.92   85.867  3142.78   89.343  1524.49   21.744  1555.63   22.172 -31.13611 31.05514 
1 1 1    1    1    1 o  1541.97   15.528  3083.56   62.023  3049.43   86.743  3119.25   88.718  1532.41   21.853  1549.81   22.100 -17.39673 31.07951 
1 1 1    1    1    2 o  1063.27   11.763  1465.34   32.397  1453.98   45.521  1477.00   46.117  1058.73   16.599  1067.07   16.685 -8.337891 23.53491 
1 1 1    1    1    3 o  1038.49   11.601  1397.83   31.206  1391.01   43.954  1404.76   44.312  1035.57   16.386  1040.67   16.438 -5.099487 23.21009 
1 1 1    1    1    4 o  299.919   7.4143  116.537   5.7600  111.849   8.0858  121.368   8.2074  293.776   10.626  306.027   10.354 -12.25162 14.83590 
1 1 1    1    1    5 o  681.026   9.2257  600.981   16.275  589.129   22.763  613.376   23.278  674.113   13.036  687.844   13.065 -13.73096 18.45603 
1 1 1    1    1    6 f  896.025   10.638  1040.52   24.691  1035.46   34.803  1045.64   35.035  893.551   15.037  897.926   15.063 -4.375000 21.28358 
1 1 1    1    1    7 o  723.391   9.5533  678.116   17.901  684.842   25.472  671.553   25.163  726.769   13.530  719.685   13.498 7.083740 19.11194 
1 1 1    1    1    8 o  822.106   10.208  875.901   21.739  905.145   31.444  849.126   30.088  835.442   14.530  809.189   14.354 26.25256 20.42497 
1 1 1    1    1    9 o  1895.26   18.572  4662.40   91.177  4840.21  134.177  4509.86  124.279  1928.76   26.857  1862.11   25.766 66.64575 37.21764 
1 1 1    1    1   10 o  768.848   19.904  767.600   39.641   0.0000   0.0000  767.600   39.641  ?   ?   768.848   19.904 0.000000 19.90440 
1 1 1    1    1   11 o  504.733   8.6303  330.119   11.283  313.352   15.576  348.635   16.368  491.620   12.231  518.561   12.186 -26.94156 17.26529 
1 1 1    1    1   12 o  251.143   8.3833   81.733   5.4537   87.561   7.7720   76.079   7.6546  259.880   11.545  241.918   12.255 17.96222 16.83717 
1 1 1    1    1   13 o  240.049   8.6400   74.680   5.3724   69.835   7.5635   79.612   7.6323  231.702   12.650  247.778   11.892 -16.07608 17.36180 
1 1 1    1    1   14 o  109.877   12.316   15.857   3.4449   19.069   4.9304   12.792   4.8154  120.089   16.269   97.444   19.754 22.64491 25.59097 
1 1 1    1    1   15 o  676.829   9.5806  594.044   16.797  585.402   23.506  603.060   24.010  671.475   13.514  681.516   13.601 -10.04065 19.17346 
1 1 1    1    1   16 o   29.802   14.115  -3.4966   2.9042  -6.0376   3.8987  -0.3287   4.3531   32.387   15.609   46.597   20.025 -14.20991 25.39029 
1 1 1    1    1   17 o  136.181   11.975   24.294   4.1812   19.402   5.7111   29.943   6.1380  120.414   18.935  150.719   15.965 -30.30491 24.76773 
1 1 1    1    1   18 o  323.064   9.0584  135.468   7.5803  128.891   10.644  142.238   10.798  314.756   13.055  330.702   12.606 -15.94623 18.14754 
1 1 1    1    1   19 o  620.271   9.5740  499.214   15.382  490.575   21.691  507.954   21.818  614.297   13.632  625.111   13.474 -10.81354 19.16708 
1 1 1    1    1   20 o  434.332   18.417  245.500   20.720   0.0000   0.0000  245.500   20.720  ?   ?   434.332   18.417 0.000000 18.41683 
1 1 1    1    1   21 o  249.874   10.148   80.953   6.5680   90.213   9.6926   73.091   8.9311  263.253   14.267  236.842   14.629 26.41072 20.43469 
1 1 1    1    1   22 o  199.706   12.033   51.910   6.1957   51.632   8.7795   52.186   8.7447  198.651   17.233  199.741   17.065 -1.089828 24.25263 
1 1 1    1    1   23 f  325.076   10.320  136.993   8.6899  128.358   12.198  145.891   12.383  314.502   14.973  335.325   14.256 -20.82294 20.67444 
1 1 1    1    1   24 o  150.074   17.533   29.647   6.6872   33.839   8.7839   23.868   10.313  159.839   21.783  132.569   30.647 27.26979 37.59925 
1 1 1    1    1   25 o   83.321   25.792   9.0123   6.1371   10.707   8.7446   7.3672   8.6151   93.046   30.988   83.554   30.542 9.491997 43.50975 
1 1 1    1    1   26 o  539.438   9.8904  377.304   13.820  378.780   20.000  375.954   19.119  540.163   14.294  538.195   13.714 1.968506 19.80891 
1 1 1    1    1   27 o  296.577   11.770  114.124   9.0419  123.834   13.023  105.089   12.564  308.245   16.369  283.791   17.172 24.45346 23.72389 
1 1 1    1    1   28 o  572.778   10.165  425.566   15.081  424.738   21.543  426.361   21.119  571.758   14.546  572.887   14.232 -1.129639 20.35003 
1 1 1    1    1   29 o  541.029   10.123  379.785   14.187  395.315   20.347  365.092   19.791  551.497   14.243  529.974   14.416 21.52356 20.26567 
1 1 1    1    1   30 o  295.467   25.522  115.400   19.341   0.0000   0.0000  115.400   19.341  ?   ?   295.467   25.522 0.000000 25.52161 
1 1 1    1    1   31 o  516.757   10.269  346.763   13.746  363.225   20.277  332.765   18.698  528.132   14.822  505.602   14.277 22.52975 20.58004 
1 1 1    1    1   32 o  297.616   13.085  115.326   10.088  137.500   17.856  104.931   12.225  322.854   21.474  282.928   16.756 39.92609 27.23775 
1 1 1    1    1   33 o  451.193   14.637  265.856   17.106  253.800   23.773  278.800   24.633  438.962   20.908  460.163   20.666 -21.20029 29.39781 
1 1 1    1    1   34 o  337.000   13.144  148.297   11.474  145.820   14.231  152.900   19.398  333.397   16.478  338.961   22.216 -5.563477 27.66025 
1 1 1    1    1   35 o  430.136   10.702  241.169   11.924  247.461   17.101  235.217   16.634  434.298   15.202  423.430   15.165 10.86798 21.47278 
1 1 1    1    1   36 o   85.550   26.651   9.9225   6.5407   7.5104   8.7868   12.920   9.7950   82.292   30.707   98.214   32.799 -15.92220 44.93038 
1 1 1    1    1   37 o  154.325   18.668   32.060   7.3109   37.453   10.460   26.909   10.222  164.552   25.355  137.454   29.587 27.09798 38.96476 
1 1 1    1    1   38 o   53.873   23.573  -0.8785   6.2596   10.325   9.2418 -10.3744   8.5086   89.539   31.773   49.633   23.691 39.90535 39.63339 
1 1 1    1    1   39 o   72.214   33.475  -8.7640   14.914   0.0000   0.0000  -8.7640   14.914  ?   ?    72.214   33.475 0.000000 33.47507 
1 1 1    1    1   40 o   64.349   25.496   3.7050   6.3185   12.982   8.2733  -9.2791   9.7878   94.830   30.036   55.188   26.070 39.64249 39.77212 
1 1 1    1    1   41 o  247.404   13.526   81.433   8.6351   76.472   11.928   86.897   12.517  236.277   19.668  252.197   19.308 -15.91936 27.56102 
1 1 1    1    1   42 o  181.479   16.612   44.717   7.7223   37.592   10.737   52.350   11.114  160.582   26.755  192.824   22.686 -32.24182 35.07827 
1 1 1    1    1   43 o  109.401   27.416   18.024   7.7536   5.4336   11.276   29.317   10.679   79.127   33.025  138.124   30.649 -58.99729 45.05554 
1 1 1    1    1   44 o  222.989   16.123   67.814   9.2499   74.830   13.257   61.159   12.912  228.868   22.660  204.872   24.840 23.99588 33.62247 
1 1 1    1    1   45 o  122.437   24.825   22.509   7.6039   21.003   10.804   23.987   10.703  111.767   34.161  120.175   33.257 -8.407692 47.67559 
1 1 1    1    1   46 o   58.119   25.602   0.3579   7.4943   3.3975   10.705  -2.5641   10.496   71.454   31.054   62.423   28.626 9.030628 42.23507 
1 1 1    1    1   47 o   59.933   29.509 -21.0400   16.188   0.0000   0.0000 -21.0400   16.188  ?   ?    59.933   29.509 0.000000 29.50895 
1 1 1    1    1   48 o   57.932   26.044  -0.2892   8.1702   5.5844   12.422  -4.7673   10.846   75.509   33.119   59.319   27.841 16.19018 43.26667 
1 1 1    1    1   49 f  138.043   23.372   29.525   8.0589   34.078   11.120   24.490   11.695  139.352   31.543  111.669   35.748 27.68244 47.67471 
1 1 1    1    1   50 o   65.136   28.132   4.3166   8.6764   13.548   11.984  -5.8520   12.578   84.465   34.527   60.131   28.731 24.33415 44.91734 
1 1 1    1    2    0 o  2076.45   20.032  5596.77  107.742  5664.90  154.387  5532.09  150.431  2086.64   28.564  2062.17   28.162 24.47534 40.11209 
1 1 1    1    2    1 o  2060.27   19.894  5509.74  106.168  5484.85  149.385  5535.14  150.914  2053.36   28.086  2062.70   28.245 -9.341309 39.83232 
1 1 1    1    2    2 o  1665.99   16.574  3600.27   71.524  3542.42   99.459  3662.23  102.929  1651.32   23.252  1678.92   23.668 -27.60144 33.17886 
1 1 1    1    2    3 o  178.208   7.2768   41.144   3.3591   38.464   4.7240   43.885   4.7774  171.947   10.659  183.748   10.076 -11.80098 14.66737 
1 1 1    1    2    4 o  278.406   10.513  100.450   7.5815   0.0000   0.0000  100.450   7.5815  ?   ?   278.406   10.513 0.000000 10.51295 
1 1 1    1    2    5 o  1049.13   11.723  1426.68   31.858  1430.61   45.167  1422.79   44.943  1050.15   16.604  1047.28   16.567 2.869751 23.45576 
1 1 1    1    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    7 o  971.899   11.217  1224.32   28.238  1247.00   40.478  1202.82   39.413  980.479   15.938  962.966   15.801 17.51227 22.44268 
1 1 1    1    2    8 o  857.854   10.462  953.770   23.247  971.045   33.283  937.312   32.485  865.289   14.849  850.134   14.752 15.15442 20.93135 
1 1 1    1    2    9 o  547.328   8.7132  388.175   12.353  380.107   17.333  396.504   17.610  541.476   12.358  553.035   12.293 -11.55890 17.43092 
1 1 1    1    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   11 o  719.754   9.7205  671.396   18.123  666.531   25.590  676.292   25.669  716.898   13.781  722.133   13.723 -5.234314 19.44770 
1 1 1    1    2   12 o  780.112   10.109  788.826   20.428  793.581   29.067  784.186   28.715  782.143   14.347  777.507   14.258 4.635925 20.22683 
1 1 1    1    2   13 o  400.794   8.4751  208.181   8.7986  212.236   12.655  204.386   12.242  404.545   12.076  397.001   11.904 7.544556 16.95735 
1 1 1    1    2   14 o  759.031   10.027  746.980   19.715  753.959   28.031  740.149   27.734  762.154   14.198  755.143   14.179 7.010315 20.06553 
1 1 1    1    2   15 o  229.312   12.887   68.480   7.6238   0.0000   0.0000   68.480   7.6238  ?   ?   229.312   12.887 0.000000 12.88723 
1 1 1    1    2   16 o   47.046   17.571   2.1679   2.8781   2.5621   4.3094   1.8505   3.8669   55.073   21.279   50.609   19.980 4.464622 29.18870 
1 1 1    1    2   17 o  181.570   10.572   42.971   4.9508   42.364   7.0833   43.550   6.9226  179.643   15.370  182.246   14.792 -2.603073 21.33165 
1 1 1    1    2   18 o  148.549   12.269   28.885   4.6786   28.486   6.4470   29.330   6.8003  146.745   17.293  148.800   18.010 -2.055420 24.96780 
1 1 1    1    2   19 o  510.934   9.1825  338.656   12.153  346.008   17.365  331.599   17.014  516.028   12.991  505.167   13.002 10.86078 18.38006 
1 1 1    1    2   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   21 o  243.158   9.9570   76.656   6.2714   70.604   8.7672   82.997   8.9747  232.768   14.615  252.525   13.772 -19.75641 20.08169 
1 1 1    1    2   22 o  422.997   9.3979  231.923   10.297  223.301   14.324  241.143   14.813  414.891   13.329  431.151   13.263 -16.26013 18.80359 
1 1 1    1    2   23 o  268.575   10.632   93.516   7.3965   89.258   10.415   97.849   10.506  261.792   15.427  274.197   14.847 -12.40497 21.41099 
1 1 1    1    2   24 o  687.396   10.429  612.593   18.569  612.750   26.002  612.430   26.527  687.152   14.608  686.945   14.908 0.2075195 20.87211 
1 1 1    1    2   25 o  224.208   11.122   65.189   6.4590   63.521   9.0139   66.950   9.2598  220.608   15.880  226.513   15.882 -5.905167 22.45957 
1 1 1    1    2   26 o  541.922   9.8877  380.792   13.880  382.732   19.456  378.781   19.806  543.006   13.833  540.167   14.155 2.838501 19.79194 
1 1 1    1    2   27 o  518.514   9.8628  348.659   13.247  341.318   18.845  355.829   18.624  512.673   14.191  523.502   13.735 -10.82867 19.74893 
1 1 1    1    2   28 o  313.452   11.323  127.500   9.1937  125.645   12.904  129.411   13.101  310.442   16.103  315.071   16.107 -4.628906 22.77579 
1 1 1    1    2   29 o  510.503   11.921  338.382   15.764  329.695   19.298  355.800   27.327  503.566   14.795  522.252   20.201 -18.68613 25.03895 
1 1 1    1    2   30 o  111.435   39.877   14.410   14.587   0.0000   0.0000   14.410   14.587  ?   ?   111.435   39.877 0.000000 39.87720 
1 1 1    1    2   31 o  349.513   12.574  158.849   11.384  147.700   18.947  165.147   14.241  334.967   21.959  356.014   15.443 -21.04703 26.84540 
1 1 1    1    2   32 o   83.192   28.056   8.6330   7.1675   12.750   12.325   6.5290   8.8107  103.285   36.687   81.111   30.649 22.17332 47.80513 
1 1 1    1    2   33 o  534.197   10.471  371.195   14.489  384.207   20.655  358.591   20.329  542.343   14.703  523.867   14.981 18.47626 20.99067 
1 1 1    1    2   34 o   75.278   28.906   5.4047   7.9165  -1.8644   9.7428   19.530   13.581   66.609   29.271  119.254   38.559 -52.64514 48.41077 
1 1 1    1    2   35 o  221.354   15.615   64.646   8.8961   71.884   11.757   54.950   13.607  232.249   19.730  200.334   26.901 31.91426 33.36054 
1 1 1    1    2   36 o  162.982   16.618   35.362   6.9174   34.797   9.4273   36.021   10.182  159.551   23.516  161.824   25.103 -2.272095 34.39684 
1 1 1    1    2   37 o  136.532   20.496   25.394   7.0249   13.935   9.7358   37.841   10.146  100.410   32.662  165.773   24.355 -65.36240 40.74260 
1 1 1    1    2   38 o  227.087   20.291   69.669   11.810   0.0000   0.0000   69.669   11.810  ?   ?   227.087   20.291 0.000000 20.29054 
1 1 1    1    2   39 o  266.023   18.544   95.292   12.698   96.410   21.123   94.660   15.890  258.027   32.313  262.048   23.665 -4.021454 40.05235 
1 1 1    1    2   40 o   79.246   27.701   8.3000   7.0046   3.0834   10.396   12.637   9.4792   74.745   31.485   94.503   32.263 -19.75748 45.08015 
1 1 1    1    2   41 o  252.406   13.584   84.788   8.8488   89.647   12.716   80.225   12.322  256.121   19.309  241.869   19.842 14.25179 27.68631 
1 1 1    1    2   42 o  204.521   14.813   56.209   7.7942   49.563   10.445   64.559   11.707  188.050   21.851  215.277   21.273 -27.22766 30.49630 
1 1 1    1    2   43 o  107.497   25.831   17.190   7.1033   14.663   9.8620   19.914   10.240   97.833   32.910  112.204   33.019 -14.37075 46.61934 
1 1 1    1    2   44 o   95.251   28.858   13.972   7.7350   8.9692   11.387   18.259   10.540   84.833   34.024  106.137   33.932 -21.30364 48.05229 
1 1 1    1    2   45 o  244.468   15.819   81.865   9.9638   93.176   14.435   71.571   13.770  254.457   22.120  220.357   24.542 34.10027 33.03974 
1 1 1    1    2   46 o   72.789   29.166   6.4799   8.3594   21.048   12.021  -7.1619   11.633  108.356   36.335   60.212   28.437 48.14310 46.13955 
1 1 1    1    2   47 o   68.527   32.791  -8.8830   16.514   0.0000   0.0000  -8.8830   16.514  ?   ?    68.527   32.791 0.000000 32.79110 
1 1 1    1    2   48 o   73.894   29.277   7.7182   8.3307   1.8316   11.017   15.578   12.730   67.779   30.374   92.361   36.318 -24.58112 47.34547 
1 1 1    1    2   49 o   75.022   30.058   8.4645   8.8773   4.9938   12.968   11.525   12.178   73.881   33.042   83.006   34.455 -9.124863 47.73766 
1 1 1    1    2   50 o   70.296   29.001   7.0900   8.5522   12.524   13.073   3.0253   11.307   82.579   35.074   67.307   30.413 15.27197 46.42321 
1 1 1    1    3    0 o  920.208   10.789  1097.44   25.718  1092.45   36.247  1102.49   36.495  917.811   15.246  922.019   15.281 -4.207947 21.58591 
1 1 1    1    3    1 o  957.375   11.050  1187.92   27.404  1191.27   38.841  1184.60   38.669  958.391   15.646  955.704   15.620 2.686829 22.10865 
1 1 1    1    3    2 o  667.534   9.1699  577.398   15.856  574.321   22.374  580.502   22.473  665.592   12.977  669.165   12.965 -3.572632 18.34420 
1 1 1    1    3    3 o  466.092   8.1646  281.469   9.8572  269.573   13.743  294.072   14.146  456.046   11.634  476.324   11.465 -20.27753 16.33402 
1 1 1    1    3    4 o  197.754   9.0424   50.673   4.6319   45.880   7.9848   53.104   5.6864  187.328   16.628  202.126   10.901 -14.79765 19.88317 
1 1 1    1    3    5 o  388.861   7.8787  195.916   7.9360  184.074   11.030  208.625   11.427  376.852   11.299  401.206   10.995 -24.35388 15.76626 
1 1 1    1    3    6 o  421.019   8.0432  229.665   8.7717  232.947   12.443  226.422   12.367  423.936   11.331  417.954   11.423 5.981750 16.09009 
1 1 1    1    3    7 o  910.507   10.806  1074.48   25.485  1076.48   36.068  1072.49   36.015  911.023   15.284  909.334   15.290 1.689087 21.61940 
1 1 1    1    3    8 o  450.477   11.680  263.052   13.629   0.0000   0.0000  263.052   13.629  ?   ?   450.477   11.680 0.000000 11.68021 
1 1 1    1    3    9 o  1675.98   33.663  3665.00  146.142   0.0000   0.0000  3665.00  146.142  ?   ?   1675.98   33.663 0.000000 33.66320 
1 1 1    1    3   10 o  322.023   16.391  134.900   13.627   0.0000   0.0000  134.900   13.627  ?   ?   322.023   16.391 0.000000 16.39093 
1 1 1    1    3   11 o  374.049   8.3252  181.300   8.0663  182.590   11.384  180.001   11.431  375.283   11.711  372.609   11.843 2.674347 16.65568 
1 1 1    1    3   12 o  454.641   8.5844  267.865   10.110  267.038   14.351  268.680   14.244  453.800   12.209  455.199   12.080 -1.398834 17.17496 
1 1 1    1    3   13 o  433.447   8.6012  243.496   9.6570  238.800   13.722  248.104   13.593  429.090   12.346  437.387   11.998 -8.296539 17.21529 
1 1 1    1    3   14 o  234.518   9.2539   71.301   5.6215   70.981   7.9297   71.625   7.9704  233.504   13.164  234.563   13.171 -1.059509 18.62190 
1 1 1    1    3   15 o  330.071   8.7276  141.270   7.4620  135.589   10.482  147.108   10.625  323.163   12.522  336.633   12.185 -13.46924 17.47212 
1 1 1    1    3   16 o  366.941   8.7446  174.688   8.3116  179.457   12.028  170.329   11.499  371.582   12.496  362.032   12.262 9.549957 17.50740 
1 1 1    1    3   17 o  451.188   8.9470  264.236   10.457  268.609   15.054  260.159   14.535  454.385   12.790  447.219   12.547 7.166138 17.91713 
1 1 1    1    3   18 o  408.829   8.9870  216.915   9.5171  220.945   13.664  213.118   13.263  412.178   12.798  404.830   12.648 7.347626 17.99356 
1 1 1    1    3   19 o  390.542   9.1676  197.846   9.2741  190.059   13.142  205.571   13.089  382.456   13.266  397.811   12.703 -15.35498 18.36657 
1 1 1    1    3   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   21 o  707.124   10.148  648.280   18.588  644.280   26.312  652.266   26.264  704.567   14.417  708.931   14.302 -4.364807 20.30795 
1 1 1    1    3   22 o  520.537   9.5460  351.223   12.871  348.326   18.001  354.253   18.412  518.178   13.411  522.556   13.602 -4.377869 19.10182 
1 1 1    1    3   23 o  301.019   11.074  117.485   8.6344  111.710   12.424  122.880   12.009  292.877   16.443  307.711   15.066 -14.83371 22.30145 
1 1 1    1    3   24 o  678.549   10.504  596.944   18.462  596.417   26.229  597.462   25.991  677.889   14.938  678.496   14.789 -0.6074219 21.01989 
1 1 1    1    3   25 o  131.716   19.538   23.045   6.4641   12.747   9.2717   32.785   9.0168   99.718   31.820  157.060   22.832 -57.34251 39.16357 
1 1 1    1    3   26 o  588.018   10.035  448.354   15.285  422.683   21.632  473.952   21.601  570.551   14.637  604.248   13.801 -33.69720 20.11718 
1 1 1    1    3   27 o  626.161   10.345  508.535   16.779  492.812   23.639  524.503   23.822  615.935   14.816  635.475   14.472 -19.53937 20.71121 
1 1 1    1    3   28 o  770.075   10.810  769.443   21.563  773.841   31.043  765.343   29.974  771.525   15.533  767.360   15.080 4.165344 21.64927 
1 1 1    1    3   29 o  322.206   13.584  134.907   11.337  126.560   14.032  150.600   19.240  311.256   17.475  338.812   22.042 -27.55551 28.12909 
1 1 1    1    3   30 o  531.510   14.509  367.537   19.976  408.500   29.773  334.000   26.939  559.081   20.559  505.533   20.572 53.54828 29.08395 
1 1 1    1    3   31 o  538.245   11.802  376.578   16.455  387.600   28.324  370.964   20.216  544.199   20.093  533.701   14.624 10.49786 24.85126 
1 1 1    1    3   32 o  210.741   14.191   58.153   7.7017   66.441   11.296   50.952   10.528  224.268   19.643  195.855   21.084 28.41383 28.81679 
1 1 1    1    3   33 o  312.069   11.968  126.865   9.6746  129.976   13.977  124.003   13.405  314.446   17.226  307.196   16.911 7.250275 24.13924 
1 1 1    1    3   34 o  226.601   14.269   67.429   8.3329   77.210   12.282   59.088   11.343  241.057   19.846  210.309   21.106 30.74840 28.97155 
1 1 1    1    3   35 o  336.161   13.424  147.889   11.689  149.827   14.736  144.600   19.195  337.349   16.863  328.548   22.694 8.800964 28.27365 
1 1 1    1    3   36 o  267.021   15.196   94.044   10.467   93.565   12.870   94.980   17.988  265.051   18.869  263.489   26.725 1.562714 32.71494 
1 1 1    1    3   37 o  124.944   20.463   21.351   6.3934   26.683   8.8426   15.510   9.2548  138.192   25.647  104.576   31.540 33.61634 40.65160 
1 1 1    1    3   38 o  158.247   22.510   34.466   8.9668   32.169   11.043   38.910   15.362  149.780   29.514  160.844   37.553 -11.06351 47.76284 
1 1 1    1    3   39 o  129.501   31.877   24.863   10.621   13.150   14.710   37.620   15.351  102.292   39.373  156.203   38.247 -53.91051 54.89135 
1 1 1    1    3   40 o  315.336   11.850  130.973   9.6793  130.439   13.647  131.514   13.730  311.556   16.975  312.816   17.009 -1.260834 24.03002 
1 1 1    1    3   41 o  261.629   13.483   91.077   9.1061   96.102   13.146   86.442   12.626  265.155   19.272  251.221   19.556 13.93488 27.45642 
1 1 1    1    3   42 o  145.541   20.804   29.688   7.6197   37.944   11.483   23.192   10.185  159.801   28.800  122.506   31.814 37.29455 42.91325 
1 1 1    1    3   43 o  166.602   18.925   38.510   8.0222   45.942   12.209   32.863   10.642  175.974   27.700  147.533   28.881 28.44083 40.01735 
1 1 1    1    3   44 f  109.876   27.988   18.593   7.9878   21.330   11.309   15.869   11.284  113.474   34.994   99.645   35.135 13.82874 49.58893 
1 1 1    1    3   45 o   51.933   23.572  -2.2076   6.8832   6.4392   9.9876 -10.0299   9.4995   76.370   31.404   51.518   24.709 24.85196 39.95914 
1 1 1    1    3   46 o  138.321   24.898   29.088   8.5929   26.124   11.865   32.357   12.461  121.280   35.501  136.113   35.112 -14.83341 49.93220 
1 1 1    1    3   47 o   74.849   35.291  -3.3460   17.783   0.0000   0.0000  -3.3460   17.783  ?   ?    74.849   35.291 0.000000 35.29099 
1 1 1    1    3   48 o  147.051   24.917   33.706   9.1520   26.085   13.393   40.382   12.535  113.726   38.351  152.170   32.771 -38.44395 50.44545 
1 1 1    1    3   49 o   48.246   23.230  -8.4116   8.5855  -3.0271   12.064 -13.9366   12.221   62.848   29.454   53.801   26.315 9.047249 39.49681 
1 1 1    1    3   50 o   69.368   28.059   7.0821   7.8163   16.504   10.105  -6.9546   12.333   91.537   33.136   58.441   28.063 33.09589 43.42228 
1 1 1    1    4    0 o  1065.32   11.859  1471.07   32.724  1455.34   45.863  1487.38   46.706  1059.18   16.716  1070.76   16.839 -11.58252 23.72772 
1 1 1    1    4    1 o  1405.96   14.486  2563.30   52.757  2526.72   73.560  2602.05   75.705  1395.06   20.356  1415.66   20.645 -20.59460 28.99294 
1 1 1    1    4    2 o  551.788   8.5940  394.504   12.283  395.367   17.393  393.647   17.350  552.271   12.158  551.068   12.155 1.202515 17.19177 
1 1 1    1    4    3 o  645.080   9.1188  539.214   15.237  537.836   21.527  540.596   21.569  644.097   12.903  645.748   12.895 -1.651062 18.24204 
1 1 1    1    4    4 o  148.224   8.8000   28.568   3.3636   25.691   4.7320   31.507   4.7819  140.149   13.190  155.444   11.968 -15.29466 17.81058 
1 1 1    1    4    5 o  713.316   9.5556  659.363   17.656  660.800   35.255  658.882   20.398  713.503   19.075  712.989   11.045 0.5139160 22.04222 
1 1 1    1    4    6 o  515.349   8.5117  344.126   11.362  338.803   15.988  349.557   16.150  511.231   12.074  519.284   12.007 -8.053162 17.02740 
1 1 1    1    4    7 f  143.010   8.8463   26.603   3.2609   25.223   4.5618   28.044   4.6631  138.891   12.825  146.557   12.400 -7.665558 17.83883 
1 1 1    1    4    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4    9 o  1251.39   26.840  2038.00   87.002   0.0000   0.0000  2038.00   87.002  ?   ?   1251.39   26.840 0.000000 26.84037 
1 1 1    1    4   10 o  604.673   10.520  473.917   16.477  472.587   20.280  476.500   28.262  603.701   12.969  605.860   18.008 -2.159302 22.19216 
1 1 1    1    4   11 o  910.723   10.961  1075.21   25.858  1063.18   36.325  1087.57   36.817  905.199   15.492  915.516   15.525 -10.31781 21.93251 
1 1 1    1    4   12 o  348.207   8.4361  157.131   7.6091  158.662   10.658  155.539   10.867  349.799   11.762  346.327   12.114 3.472137 16.88476 
1 1 1    1    4   13 o  172.837   10.415   38.872   4.6411   36.985   6.5582   40.766   6.5688  168.106   15.226  176.638   14.484 -8.531448 21.01476 
1 1 1    1    4   14 o  346.780   8.5959  155.897   7.7214  159.791   11.107  152.254   10.742  350.916   12.219  342.546   12.106 8.369751 17.20061 
1 1 1    1    4   15 o  488.618   8.9201  309.650   11.290  316.526   16.073  302.953   15.862  493.671   12.569  482.958   12.680 10.71265 17.85356 
1 1 1    1    4   16 o   97.555   15.288   12.691   3.7364   14.556   5.4581   11.047   5.1257  103.612   21.054   90.044   22.133 13.56870 30.54753 
1 1 1    1    4   17 o  218.035   10.299   61.753   5.8165   55.477   8.2502   67.955   8.2015  205.689   15.601  228.021   13.953 -22.33235 20.93003 
1 1 1    1    4   18 o  443.256   9.1104  254.969   10.460  249.795   14.739  260.220   14.847  438.289   12.983  447.366   12.812 -9.076447 18.24041 
1 1 1    1    4   19 o  676.629   11.464  594.293   20.093  605.690   24.916  573.100   33.976  682.694   14.090  662.979   19.785 19.71460 24.28906 
1 1 1    1    4   20 o  774.516   20.944  781.100   42.019   0.0000   0.0000  781.100   42.019  ?   ?   774.516   20.944 0.000000 20.94437 
1 1 1    1    4   21 o  724.764   10.268  681.027   19.277  682.503   27.402  679.581   27.124  725.167   14.588  723.625   14.471 1.541809 20.54784 
1 1 1    1    4   22 o  498.307   13.783  322.151   17.791  322.151   17.791   0.0000   0.0000  498.307   13.783  ?   ?  0.000000 13.78341 
1 1 1    1    4   23 o  659.615   10.500  564.070   17.941  547.750   25.040  581.287   25.718  649.677   14.879  669.274   14.835 -19.59723 21.01118 
1 1 1    1    4   24 o  738.292   10.572  706.719   20.217  722.659   29.374  692.371   27.869  746.141   15.198  730.386   14.731 15.75439 21.16530 
1 1 1    1    4   25 o  115.213   22.342   17.870   6.4271   22.132   9.3010   13.975   8.8914  127.657   28.811  102.863   30.890 24.79427 42.24100 
1 1 1    1    4   26 o  408.647   10.349  216.564   10.954  205.483   15.573  227.418   15.412  397.759   15.115  418.517   14.216 -20.75897 20.74978 
1 1 1    1    4   27 o  147.689   16.147   28.688   6.0764   22.913   8.8642   33.806   8.3458  129.960   27.205  159.783   20.647 -29.82309 34.15269 
1 1 1    1    4   28 o  469.678   10.475  286.213   12.744  290.777   18.438  282.039   17.634  472.963   15.050  465.851   14.614 7.112305 20.97751 
1 1 1    1    4   29 o  230.597   25.533   70.530   14.995   0.0000   0.0000   70.530   14.995  ?   ?   230.597   25.533 0.000000 25.53290 
1 1 1    1    4   30 o  506.908   13.966  334.246   18.338  341.500   26.319  327.400   25.567  511.244   19.874  500.613   19.716 10.63098 27.99472 
1 1 1    1    4   31 o  347.078   11.468  156.574   10.310  160.833   15.018  152.777   14.180  351.097   16.513  342.269   15.995 8.828094 22.98934 
1 1 1    1    4   32 o  459.497   10.513  274.479   12.513  283.388   18.397  266.809   17.070  465.937   15.243  452.255   14.571 13.68268 21.08732 
1 1 1    1    4   33 o   57.804   24.875  -0.3237   6.7338   1.1944   9.5697  -1.8125   9.4770   71.515   30.171   65.912   28.919 5.603233 41.79197 
1 1 1    1    4   34 o  430.834   10.747  241.821   11.994  247.180   17.410  236.981   16.546  434.216   15.479  425.315   15.019 8.901947 21.56772 
1 1 1    1    4   35 o  319.390   11.966  133.246   9.8994  143.395   14.294  123.890   13.724  329.574   16.799  306.072   17.381 23.50159 24.17277 
1 1 1    1    4   36 o  130.884   26.203   23.946   8.5735   19.906   10.544   31.830   14.728  117.800   33.155  146.909   38.308 -29.10944 50.66262 
1 1 1    1    4   37 o  172.744   19.670   40.281   8.6446   43.866   10.834   34.000   14.341  178.666   24.019  151.418   36.900 27.24802 44.02875 
1 1 1    1    4   38 o  298.761   14.428  117.802   11.166  110.500   13.740  132.000   19.160  287.058   18.579  310.388   24.018 -23.33054 30.36460 
1 1 1    1    4   39 f   49.111   22.661  -4.5509   6.7202 -11.5269   7.6849   18.120   13.854   44.719   21.641  111.346   38.955 -66.62765 44.56266 
1 1 1    1    4   40 o   77.858   26.115   8.2562   6.2098   10.427   8.0931   5.1492   9.6833   86.827   29.808   76.729   31.163 10.09853 43.12326 
1 1 1    1    4   41 o   83.918   26.736   10.069   6.5479   2.9362   9.1664   17.501   9.3568   70.453   29.615  107.316   31.559 -36.86237 43.27827 
1 1 1    1    4   42 o   96.594   27.250   13.905   7.1144   32.311   10.455  -1.9667   9.7089  147.283   28.435   63.354   28.443 83.92955 40.21878 
1 1 1    1    4   43 o  140.823   23.571   28.673   8.2941   11.927   11.524   46.670   11.947   91.877   34.972  177.930   26.748 -86.05357 44.02830 
1 1 1    1    4   44 o   66.889   27.618   3.7972   7.7653   0.4715   11.460   6.6200   10.558   70.426   31.309   78.659   32.310 -8.232262 44.99082 
1 1 1    1    4   45 o   78.600   29.819   8.6087   8.3609   3.4135   11.868   13.727   11.781   74.500   32.532   92.990   35.368 -18.48962 48.05441 
1 1 1    1    4   46 o   52.097   24.233  -4.2808   7.9210  -9.6964   11.902   0.0246   10.612   58.300   27.882   65.857   29.638 -7.556416 40.69112 
1 1 1    1    4   47 o   90.321   39.922   12.190   18.374   0.0000   0.0000   12.190   18.374  ?   ?    90.321   39.922 0.000000 39.92177 
1 1 1    1    4   48 o   70.563   27.930   6.8280   7.5751   6.6315   9.5542   7.1605   12.430   72.833   30.399   77.332   33.536 -4.498878 45.26327 
1 1 1    1    4   49 o   75.429   29.559   8.9572   8.4069   5.3743   12.180   12.217   11.618   72.928   32.355   83.518   34.051 -10.59003 46.97197 
1 1 1    1    4   50 o   96.289   32.096   17.990   9.3804   22.094   13.198   13.801   13.335   98.812   37.470   83.859   35.509 14.95332 51.62298 
1 1 1    1    5    0 o  1286.04   13.571  2144.41   45.208  2170.55   64.664  2119.42   63.227  1293.12   19.305  1277.83   19.102 15.29102 27.15845 
1 1 1    1    5    1 o  1001.07   11.438  1298.94   29.660  1290.78   41.721  1307.26   42.174  997.531   16.146  1003.87   16.219 -6.340515 22.88557 
1 1 1    1    5    2 o  473.624   8.3280  290.650   10.217  290.857   14.446  290.442   14.452  473.694   11.773  473.355   11.787 0.3390808 16.65951 
1 1 1    1    5    3 o  567.599   8.7830  417.453   12.913  409.969   18.090  425.229   18.439  562.356   12.418  572.726   12.429 -10.36963 17.57004 
1 1 1    1    5    4 o  565.147   8.8268  413.858   12.922  410.107   18.168  417.698   18.382  562.445   12.470  567.625   12.502 -5.180420 17.65790 
1 1 1    1    5    5 o  360.808   11.766  168.752   10.997  168.752   10.997   0.0000   0.0000  360.808   11.766  ?   ?  0.000000 11.76599 
1 1 1    1    5    6 o  501.354   8.6247  325.699   11.201  316.400   22.234  328.861   12.966  493.786   17.383  503.743   9.9368 -9.956879 20.02258 
1 1 1    1    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5    8 o  1107.48   17.423  1591.78   49.982  1649.00   72.895  1541.00   68.664  1126.00   24.992  1088.62   24.350 37.38208 34.89340 
1 1 1    1    5    9 o  120.286   14.744   19.048   4.4978   15.060   6.3635   23.030   6.3581  105.544   23.839  131.809   19.185 -26.26580 30.60035 
1 1 1    1    5   10 o  221.964   8.7959   63.846   5.0572   63.287   7.3924   64.339   6.9337  220.531   12.998  222.433   12.079 -1.902451 17.74452 
1 1 1    1    5   11 o  948.482   15.893  1167.56   39.046  1167.56   39.046   0.0000   0.0000  948.482   15.893  ?   ?  0.000000 15.89256 
1 1 1    1    5   12 o  386.569   8.5372  193.673   8.5486  193.027   12.244  194.288   11.941  385.785   12.253  387.059   11.910 -1.273651 17.08710 
1 1 1    1    5   13 o  250.774   9.0092   81.523   5.8522   81.132   8.3575   81.899   8.1974  249.716   12.965  250.924   12.653 -1.207352 18.11592 
1 1 1    1    5   14 o  165.393   10.785   35.639   4.5953   35.625   6.7207   35.651   6.2974  164.785   15.945  164.979   14.897 -0.1937408 21.82069 
1 1 1    1    5   15 o  113.347   14.184   16.967   4.0733   18.744   5.7708   15.203   5.7503  118.311   19.511  105.933   21.686 12.37762 29.17105 
1 1 1    1    5   16 o  531.622   9.2050  366.877   12.676  381.052   18.183  353.476   17.680  541.184   12.971  521.211   13.095 19.97284 18.43200 
1 1 1    1    5   17 o  359.842   9.1114  168.086   8.4928  175.124   12.239  161.550   11.794  366.883   12.879  352.372   12.922 14.51056 18.24373 
1 1 1    1    5   18 o  950.046   11.484  1172.32   28.262  1165.21   39.888  1179.49   40.050  945.801   16.281  951.592   16.248 -5.790894 23.00176 
1 1 1    1    5   19 o   55.214   24.693  -3.1182   7.2420 -20.9600   10.984   10.600   9.6318   51.006   24.948   94.138   32.507 -43.13263 40.97657 
1 1 1    1    5   20 o  851.071   12.600  939.792   27.776  926.070   33.730  968.700   48.958  844.458   15.420  862.496   21.914 -18.03827 26.79535 
1 1 1    1    5   21 o  1042.44   12.185  1409.43   32.901  1397.70   46.279  1421.41   46.784  1037.36   17.223  1046.11   17.265 -8.752930 24.38656 
1 1 1    1    5   22 o  672.519   10.294  586.337   17.932  587.231   25.397  585.448   25.324  672.706   14.575  671.686   14.555 1.020447 20.59800 
1 1 1    1    5   23 o  1357.20   14.640  2390.39   51.468  2384.75   72.622  2396.08   72.952  1354.27   20.702  1357.47   20.747 -3.202271 29.30897 
1 1 1    1    5   24 o  388.375   10.433  195.568   10.496  188.361   14.905  202.658   14.783  380.922   15.106  395.153   14.442 -14.23041 20.89904 
1 1 1    1    5   25 o  255.564   11.211   84.710   7.4213   73.552   10.535   95.701   10.456  237.286   17.259  271.078   14.948 -33.79143 22.83224 
1 1 1    1    5   26 o  552.820   9.9639  396.313   14.268  396.283   20.544  396.341   19.831  552.422   14.357  552.513   13.857 -0.8996582E-01 19.95299 
1 1 1    1    5   27 o  371.216   10.727  178.773   10.315  169.172   14.432  188.797   14.747  360.786   15.443  381.182   14.936 -20.39581 21.48417 
1 1 1    1    5   28 o  568.312   11.737  419.275   17.278  399.600   28.888  430.233   21.559  553.573   20.146  575.345   14.466 -21.77240 24.80182 
1 1 1    1    5   29 o  358.418   21.628  168.500   19.986   0.0000   0.0000  168.500   19.986  ?   ?   358.418   21.628 0.000000 21.62834 
1 1 1    1    5   30 o  423.563   12.064  233.149   13.236  243.452   16.460  214.300   22.264  432.466   14.694  404.077   21.346 28.38950 25.91483 
1 1 1    1    5   31 o  459.624   10.500  274.469   12.501  266.263   17.912  282.261   17.455  451.904   15.302  465.444   14.478 -13.54077 21.06579 
1 1 1    1    5   32 o   91.102   26.369   11.260   6.5789   11.832   9.9938   10.823   8.7396   97.019   33.127   92.291   30.981 4.728111 45.35681 
1 1 1    1    5   33 o  190.459   16.162   47.853   7.8980   43.054   11.341   52.373   11.006  178.208   25.276  197.888   21.834 -19.68033 33.40063 
1 1 1    1    5   34 o   74.396   27.209   6.1975   6.8387   5.8394   9.7677   6.5418   9.5779   81.162   31.846   82.264   31.741 -1.101311 44.96219 
1 1 1    1    5   35 o   81.986   27.488   8.6994   6.8799   10.047   10.110   7.5372   9.3893   91.384   33.134   83.815   31.647 7.569122 45.81966 
1 1 1    1    5   36 o  326.623   13.719  139.997   11.607  129.130   14.407  160.100   19.595  311.781   17.914  345.121   22.034 -33.33951 28.39771 
1 1 1    1    5   37 o  115.580   28.733   19.136   8.5654   16.834   10.558   23.570   14.651  108.496   33.870  126.129   39.973 -17.63358 52.39259 
1 1 1    1    5   38 o  204.092   29.876   59.390   15.327   0.0000   0.0000   59.390   15.327  ?   ?   204.092   29.876 0.000000 29.87588 
1 1 1    1    5   39 o   96.514   28.342   13.475   7.5513   22.772   10.380   3.0210   11.006  123.428   32.146   76.531   32.325 46.89731 45.58850 
1 1 1    1    5   40 o  345.639   11.715  157.438   10.489  142.251   14.987  172.018   14.684  324.406   17.904  358.768   15.801 -34.36255 23.87942 
1 1 1    1    5   41 o  100.132   26.097   14.759   6.8374   34.588   10.656   0.8801   8.9147  153.451   27.833   65.794   28.466 87.65643 39.81226 
1 1 1    1    5   42 o  130.363   23.526   24.480   7.6519   12.865   10.577   37.233   11.084   93.965   33.919  158.427   28.034 -64.46204 44.00458 
1 1 1    1    5   43 o  111.768   24.433   18.431   6.8763   14.133   9.0544   24.289   10.569   95.814   31.514  123.513   32.570 -27.69968 45.32077 
1 1 1    1    5   44 o   61.154   26.201   1.6233   7.4113  -1.2493   8.3737   12.010   15.923   59.069   26.475   94.332   39.297 -35.26276 47.38318 
1 1 1    1    5   45 o   98.424   28.101   15.356   7.5188   29.161   10.470   0.6580   10.804  134.242   30.769   67.931   30.286 66.31079 43.17375 
1 1 1    1    5   46 o  184.615   20.443   49.326   9.6121   53.860   13.307   44.379   13.899  184.114   28.851  160.554   34.452 23.55977 44.93704 
1 1 1    1    5   47 o   72.343   34.406  -5.4630   17.610   0.0000   0.0000  -5.4630   17.610  ?   ?    72.343   34.406 0.000000 34.40612 
1 1 1    1    5   48 o  140.186   26.701   31.646   9.3417   39.366   13.698   24.933   12.773  143.979   36.639  111.345   37.453 32.63351 52.39392 
1 1 1    1    5   49 o   94.409   32.103   16.641   9.3852   19.897   13.271   13.384   13.274   96.979   37.378   85.322   35.740 11.65643 51.71523 
1 1 1    1    5   50 o   93.949   32.988   17.732   9.9387   19.514   13.105   15.320   15.248   93.196   36.785   85.219   37.050 7.976967 52.20900 
1 1 1    1    6    0 f  610.475   9.0413  482.922   14.297  482.694   20.219  483.151   20.220  610.175   12.792  610.464   12.787 -0.2884521 18.08713 
1 1 1    1    6    1 o  1189.40   12.870  1834.12   39.651  1843.56   56.330  1824.85   55.823  1191.84   18.246  1185.78   18.174 6.055786 25.75326 
1 1 1    1    6    2 o  275.607   11.405   98.459   8.1424   98.459   8.1424   0.0000   0.0000  275.607   11.405  ?   ?  0.000000 11.40549 
1 1 1    1    6    3 o  306.105   8.1883  121.407   6.4925  122.195   9.1330  120.603   9.2315  307.033   11.484  305.022   11.684 2.010986 16.38253 
1 1 1    1    6    4 o  536.176   8.7738  372.520   12.186  378.467   17.417  366.818   17.055  540.304   12.444  531.926   12.378 8.377686 17.55223 
1 1 1    1    6    5 o  364.311   8.4107  171.975   7.9370  168.035   11.105  176.090   11.348  360.030   11.908  368.559   11.887 -8.529022 16.82538 
1 1 1    1    6    6 o  151.861   10.969   30.048   4.2859   37.207   6.4628   24.428   5.7261  168.708   14.944  136.211   16.571 32.49702 22.31356 
1 1 1    1    6    7 o  533.190   12.521  368.594   17.293  363.800   24.317  373.500   24.599  529.427   17.732  536.441   17.703 -7.013550 25.05575 
1 1 1    1    6    8 o  291.711   11.419  110.313   8.6281  101.100   11.879  120.600   12.552  278.636   16.533  304.459   15.972 -25.82285 22.98803 
1 1 1    1    6    9 o  763.057   10.019  754.675   19.804  759.001   28.114  750.415   27.900  764.953   14.189  760.616   14.161 4.336487 20.04609 
1 1 1    1    6   10 o  809.709   10.343  849.873   21.693  838.089   30.441  862.033   30.922  803.728   14.622  815.127   14.645 -11.39825 20.69477 
1 1 1    1    6   11 o  460.179   8.7161  274.455   10.390  261.285   14.457  288.523   14.941  448.842   12.435  471.668   12.229 -22.82629 17.44064 
1 1 1    1    6   12 o  218.371   9.1870   61.815   5.1966   61.683   7.5620   61.933   7.1532  217.610   13.482  218.122   12.716 -0.5119781 18.53238 
1 1 1    1    6   13 o   73.680   17.837   7.3431   3.3678   8.2673   4.4842   6.1472   5.1009   78.425   21.454   70.777   23.669 7.648460 31.94508 
1 1 1    1    6   14 o  524.986   9.1033  357.480   12.379  349.591   17.446  365.482   17.569  518.767   12.983  530.450   12.786 -11.68323 18.22214 
1 1 1    1    6   15 o  337.229   8.9564  147.581   7.8236  142.915   11.019  152.324   11.110  331.511   12.832  342.282   12.531 -10.77036 17.93559 
1 1 1    1    6   16 o  368.531   8.9748  176.306   8.5674  172.777   12.304  179.627   11.937  364.362   13.036  371.599   12.401 -7.237091 17.99258 
1 1 1    1    6   17 o  751.853   10.272  734.119   20.004  736.122   28.272  732.109   28.309  751.862   14.517  749.793   14.576 2.068787 20.57156 
1 1 1    1    6   18 o  761.465   11.992  753.016   23.654  758.064   29.107  743.200   40.590  763.487   14.718  754.434   20.770 9.053040 25.45646 
1 1 1    1    6   19 o  824.936   15.316  884.204   32.728   0.0000   0.0000  884.204   32.728  ?   ?   824.936   15.316 0.000000 15.31630 
1 1 1    1    6   20 o  818.965   10.803  869.736   22.917  867.214   32.409  872.259   32.411  817.267   15.309  819.647   15.266 -2.379700 21.61967 
1 1 1    1    6   21 o  484.627   9.6523  304.451   12.117  306.639   17.137  302.264   17.135  486.155   13.608  482.668   13.705 3.486328 19.31365 
1 1 1    1    6   22 o  198.949   14.178   51.617   7.2587   48.966   10.027   54.535   10.521  193.014   20.363  203.831   20.193 -10.81732 28.67773 
1 1 1    1    6   23 o  650.086   10.560  547.929   17.782  545.832   25.160  550.022   25.136  648.492   14.978  650.983   14.906 -2.490845 21.13140 
1 1 1    1    6   24 o  762.648   10.764  754.223   21.263  733.060   29.636  776.677   30.526  751.413   15.226  773.443   15.237 -22.03021 21.54029 
1 1 1    1    6   25 o  230.488   18.670   69.536   11.051   69.536   11.051   0.0000   0.0000  230.488   18.670  ?   ?  0.000000 18.66963 
1 1 1    1    6   26 o  470.260   14.523  287.226   17.691   0.0000   0.0000  287.226   17.691  ?   ?   470.260   14.523 0.000000 14.52307 
1 1 1    1    6   27 o  389.275   11.884  196.686   11.983  201.900   19.811  193.678   15.047  393.690   19.427  386.035   15.048 7.655182 24.57350 
1 1 1    1    6   28 o  398.911   14.480  206.864   14.962  201.200   21.004  212.700   21.319  392.112   20.753  403.245   20.478 -11.13373 29.15520 
1 1 1    1    6   29 o  513.300   19.731  344.000   26.235   0.0000   0.0000  344.000   26.235  ?   ?   513.300   19.731 0.000000 19.73125 
1 1 1    1    6   30 f   69.683   26.475   4.5660   6.5972   11.674   9.0246  -3.5926   9.6683   95.631   31.463   64.292   28.658 31.33925 42.55772 
1 1 1    1    6   31 o  228.000   13.413   67.927   7.8865   63.745   10.859   72.596   11.473  219.797   19.267  234.714   19.035 -14.91728 27.08395 
1 1 1    1    6   32 o  258.992   12.774   87.416   8.5697   77.874   12.420   96.088   11.840  242.594   19.941  270.378   16.992 -27.78371 26.19821 
1 1 1    1    6   33 o  267.566   12.841   93.439   8.8995   96.198   12.899   90.932   12.294  269.754   18.574  262.338   18.205 7.415833 26.00767 
1 1 1    1    6   34 o  341.735   11.396  152.350   10.088  146.612   14.743  157.401   13.833  333.310   17.134  346.319   15.420 -13.00876 23.05125 
1 1 1    1    6   35 o  157.344   18.277   33.159   7.3102   31.303   11.033   34.611   9.7601  149.058   29.619  158.809   24.516 -9.750839 38.44833 
1 1 1    1    6   36 o   57.948   24.442   0.8625   6.2781  -7.0723   9.7842   6.4160   8.1854   58.709   27.179   77.778   29.505 -19.06893 40.11542 
1 1 1    1    6   37 o  315.677   14.163  131.258   11.581  139.434   14.454  116.600   19.354  323.605   17.306  290.900   25.958 32.70508 31.19828 
1 1 1    1    6   38 o  295.904   24.665  120.900   18.733   0.0000   0.0000  120.900   18.733  ?   ?   295.904   24.665 0.000000 24.66472 
1 1 1    1    6   39 o   94.161   27.984   12.815   7.3251  -7.3228   10.254   33.805   10.468   59.094   27.516  153.292   27.368 -94.19833 38.80880 
1 1 1    1    6   40 o   71.567   27.045   5.9153   6.8605  -2.2138   10.190   12.654   9.2780   65.118   29.194   93.783   31.919 -28.66513 43.25668 
1 1 1    1    6   41 o   73.866   27.616   6.6854   7.1131   3.5113   10.207   9.6828   9.9185   73.965   31.179   86.195   32.531 -12.23063 45.06019 
1 1 1    1    6   42 o   65.901   26.739   3.7776   7.1220   9.3699   11.006  -0.2518   9.3419   86.312   33.821   64.625   28.520 21.68661 44.24125 
1 1 1    1    6   43 o  101.197   28.786   15.794   7.9049   19.564   11.435   12.343   10.940  109.279   35.387   91.715   34.256 17.56359 49.25121 
1 1 1    1    6   44 o   66.043   27.270   3.7901   7.5708   6.3624   11.549   1.8515   10.026   79.328   33.288   68.588   29.927 10.73968 44.76292 
1 1 1    1    6   45 o  168.122   21.844   41.198   9.2880   35.365   13.194   46.928   13.077  142.539   35.788  171.055   30.638 -28.51608 47.11160 
1 1 1    1    6   46 o   53.317   25.233  -6.6824   9.2477  -5.5912   11.765  -8.4470   14.960   61.526   28.915   66.076   31.505 -4.549740 42.76240 
1 1 1    1    6   47 o  121.236   36.955   28.226   12.656   23.810   17.285   33.330   18.582  104.927   41.977  119.199   44.621 -14.27211 61.26223 
1 1 1    1    6   48 o   88.215   30.216   13.529   8.3151   20.351   11.542   6.1662   11.990  102.067   35.565   74.624   32.639 27.44297 48.27193 
1 1 1    1    6   49 o   54.565   25.025  -1.3698   8.0237  -3.8043   9.0462   7.6090   17.373   54.216   25.439   79.401   36.565 -25.18441 44.54432 
1 1 1    1    6   50 o   72.991   33.336   6.3212   14.041  -1.8600   20.160   14.030   19.569   71.634   34.758   82.938   38.410 -11.30399 51.80221 
1 1 1    1    7    0 o  1042.81   16.745  1411.00   45.232  1411.00   45.232   0.0000   0.0000  1042.81   16.745  ?   ?  0.000000 16.74510 
1 1 1    1    7    1 o  1078.26   12.083  1507.22   33.747  1484.74   47.118  1530.91   48.357  1069.68   17.005  1086.16   17.188 -16.47961 24.17819 
1 1 1    1    7    2 o  362.453   8.2988  170.224   7.7915  143.781   10.660  200.557   11.417  333.021   12.357  393.351   11.205 -60.32935 16.68099 
1 1 1    1    7    3 o  373.555   8.3637  180.813   8.0928  171.040   11.336  190.971   11.557  363.228   12.049  383.822   11.624 -20.59357 16.74197 
1 1 1    1    7    4 o  596.108   9.1923  460.487   14.194  496.955   20.875  429.132   19.357  619.086   13.018  575.293   12.989 43.79333 18.38985 
1 1 1    1    7    5 o  465.938   12.316  281.467   14.865  290.600   21.303  272.800   20.752  473.194   17.380  458.468   17.474 14.72635 24.64545 
1 1 1    1    7    6 o  714.199   13.861  661.519   25.643  630.000   35.285  696.800   37.331  696.514   19.557  732.498   19.675 -35.98438 27.74126 
1 1 1    1    7    7 o  397.754   12.632  205.140   13.014  194.100   18.315  216.400   18.497  386.658   18.286  408.308   17.488 -21.64981 25.30289 
1 1 1    1    7    8 o  188.686   11.388   46.324   5.5400   25.710   9.2635   57.802   6.9124  138.184   26.848  210.745   12.722 -72.56065 29.70945 
1 1 1    1    7    9 o  872.097   10.807  985.972   24.413  1041.00   50.887  969.520   27.824  894.771   21.956  864.659   12.423 30.11206 25.22661 
1 1 1    1    7   10 f  890.422   10.874  1027.95   25.081  1030.00   35.590  1025.93   35.351  890.830   15.424  889.077   15.350 1.753235 21.76055 
1 1 1    1    7   11 o   98.771   14.307   12.924   3.5538   11.366   4.7861   14.838   5.3058   91.676   20.650  105.063   20.230 -13.38644 28.90864 
1 1 1    1    7   12 o  227.749   9.3468   67.251   5.5140   65.097   8.0264   69.176   7.5881  223.495   13.934  230.529   12.757 -7.034195 18.89165 
1 1 1    1    7   13 o  272.434   13.112   96.391   9.2530   0.0000   0.0000   96.391   9.2530  ?   ?   272.434   13.112 0.000000 13.11198 
1 1 1    1    7   14 f  546.060   9.1890  386.921   12.998  385.263   18.377  388.580   18.386  544.370   13.032  546.716   12.983 -2.345947 18.39563 
1 1 1    1    7   15 o  361.318   9.1429  169.479   8.5571  167.323   12.269  171.522   11.940  358.556   13.210  363.095   12.695 -4.538727 18.32178 
1 1 1    1    7   16 o  235.755   10.259   72.199   6.2650   69.227   8.8849   75.137   8.8355  229.987   14.996  239.753   14.292 -9.765884 20.71595 
1 1 1    1    7   17 o  393.232   13.040  201.040   13.282   0.0000   0.0000  201.040   13.282  ?   ?   393.232   13.040 0.000000 13.03952 
1 1 1    1    7   18 o  191.946   19.366   48.494   9.4973   38.100   14.102   57.120   12.848  167.069   33.749  207.608   24.353 -40.53893 41.61815 
1 1 1    1    7   19 o  443.180   12.730  254.878   14.614  247.700   20.176  262.800   21.196  436.483   17.845  449.555   18.202 -13.07242 25.49039 
1 1 1    1    7   20 o  656.051   10.049  558.006   17.078  568.904   24.465  547.649   23.849  662.084   14.266  649.607   14.173 12.47717 20.10941 
1 1 1    1    7   21 o  315.163   10.591  128.780   8.6460  130.524   12.561  127.209   11.919  317.110   15.291  313.083   14.697 4.026245 21.20953 
1 1 1    1    7   22 o  1077.70   12.715  1506.52   35.494  1476.52   49.698  1537.76   50.709  1066.11   17.996  1087.99   17.993 -21.88538 25.44857 
1 1 1    1    7   23 o  367.918   10.676  175.516   10.174  174.243   14.684  176.692   14.109  366.351   15.474  368.955   14.763 -2.604492 21.38719 
1 1 1    1    7   24 o  241.249   12.338   75.704   7.6845   71.341   11.563   79.155   10.284  233.425   19.296  246.328   16.208 -12.90233 25.20036 
1 1 1    1    7   25 o  415.550   10.140  223.938   10.915  211.626   15.486  236.092   15.386  403.669   14.810  426.434   13.929 -22.76453 20.33123 
1 1 1    1    7   26 o  330.693   12.542  141.952   10.743  130.200   17.993  148.463   13.392  315.196   22.180  338.008   15.296 -22.81113 26.94272 
1 1 1    1    7   27 o  367.525   12.319  175.375   11.727  167.300   19.311  180.094   14.761  357.531   20.943  372.186   15.311 -14.65500 25.94290 
1 1 1    1    7   28 o  150.192   33.428   30.959   12.670   11.950   21.299   41.370   15.762  119.417   46.971  173.523   36.238 -54.10624 59.32471 
1 1 1    1    7   29 o  313.817   15.889  128.585   12.874  114.400   17.705  144.500   18.753  294.524   23.400  331.548   21.961 -37.02350 32.09117 
1 1 1    1    7   30 o  555.213   10.525  400.427   15.137  398.879   21.677  401.900   21.146  553.269   15.126  555.455   14.697 -2.185303 21.09002 
1 1 1    1    7   31 o   88.830   26.204   10.629   6.4419   9.2096   8.8907   12.198   9.3470   88.193   31.178   97.198   32.022 -9.004303 44.69277 
1 1 1    1    7   32 o  443.978   10.582  256.472   12.169  263.307   17.494  250.064   16.939  448.805   15.048  437.399   14.950 11.40564 21.21238 
1 1 1    1    7   33 o  203.711   15.204   54.659   7.9648   48.174   11.496   60.645   11.045  188.761   24.060  213.318   20.231 -24.55611 31.43472 
1 1 1    1    7   34 o   94.961   26.892   12.517   6.9149   19.053   10.131   6.8179   9.4614  115.924   32.454   82.383   31.609 33.54102 45.30368 
1 1 1    1    7   35 o  138.741   21.386   26.234   7.4388   24.446   10.882   27.802   10.192  130.433   32.364  140.333   28.996 -9.899551 43.45340 
1 1 1    1    7   36 o  180.618   16.493   43.470   7.6314   41.441   11.282   45.181   10.362  172.823   26.008  182.071   22.446 -9.247879 34.35425 
1 1 1    1    7   37 o  238.280   15.707   75.455   9.6405   81.653   12.368   65.860   15.388  246.231   19.553  216.601   28.088 29.63010 34.22394 
1 1 1    1    7   38 f  127.786   41.973   25.380   16.063   0.0000   0.0000   25.380   16.063  ?   ?   127.786   41.973 0.000000 41.97292 
1 1 1    1    7   39 o   67.985   27.117   4.1330   7.1914   4.7107   9.5353   3.3710   10.951   75.568   30.833   76.587   32.291 -1.018936 44.64768 
1 1 1    1    7   40 o  130.822   21.961   24.144   7.1780   37.878   9.8962   8.8965   10.427  163.264   24.127   85.632   33.096 77.63268 40.95705 
1 1 1    1    7   41 o  136.653   19.814   26.062   6.8091   23.690   9.2553   28.860   10.053  125.309   29.076  138.756   28.908 -13.44705 41.00109 
1 1 1    1    7   42 o  161.798   18.484   36.243   7.6078   22.909   10.239   52.678   11.367  120.557   32.185  191.991   23.337 -71.43447 39.75568 
1 1 1    1    7   43 o   43.393   20.643  -6.7399   6.3480   1.0958   8.8867 -14.9038   9.0709   64.805   28.229   46.081   22.567 18.72401 36.14028 
1 1 1    1    7   44 o  279.718   13.585  105.406   9.8431  115.639   13.898   95.108   13.942  287.519   18.764  258.234   21.026 29.28452 28.18136 
1 1 1    1    7   45 o  171.630   19.624   42.166   8.5673   32.766   12.440   50.648   11.816  137.283   34.904  182.437   25.718 -45.15309 43.35588 
1 1 1    1    7   46 o   68.612   30.006   3.0783   10.131  -0.8727   12.258   11.590   17.993   67.575   30.970   89.696   39.583 -22.12117 50.25840 
1 1 1    1    7   47 o   63.027   28.086   1.2320   9.2788   4.4129   12.618  -2.5130   13.692   73.831   32.836   67.611   31.587 6.219795 45.56239 
1 1 1    1    7   48 o  171.894   26.628   47.756   11.473   53.244   14.106   37.030   19.719  173.506   32.583  118.278   45.570 55.22752 56.01995 
1 1 1    1    7   49 o   90.003   33.274   15.842   10.270   13.774   13.179   19.040   16.387   84.569   35.527   91.559   39.087 -6.989388 52.81993 
1 1 1    1    8    0 o  1081.13   17.214  1516.92   48.207  1394.00   63.431  1685.00   74.174  1035.46   23.649  1138.13   25.160 -102.6699 34.52958 
1 1 1    1    8    1 o  1015.85   16.538  1339.07   43.518  1472.00   66.217  1238.00   57.739  1063.97   24.027  975.929   22.840 88.03900 33.15049 
1 1 1    1    8    2 o  406.163   11.959  213.871   12.582  244.800   18.328  186.300   17.305  434.355   16.290  378.859   17.633 55.49670 24.00607 
1 1 1    1    8    3 o  300.446   12.150  117.031   9.4553  110.300   13.257  124.000   13.489  290.977   17.673  308.649   16.937 -17.67160 24.47855 
1 1 1    1    8    4 o  584.857   13.091  443.558   19.833  407.500   27.091  485.200   29.113  560.229   18.668  611.333   18.385 -51.10468 26.20145 
1 1 1    1    8    5 o  538.370   12.932  375.846   18.034  376.900   25.548  374.800   25.462  538.794   18.305  537.292   18.295 1.502380 25.88010 
1 1 1    1    8    6 o  750.234   11.643  729.720   22.627  733.504   27.804  722.300   38.935  751.984   14.274  745.651   20.158 6.332886 24.70038 
1 1 1    1    8    7 o  825.299   10.571  882.931   22.598  865.834   31.615  900.789   32.312  816.910   14.941  833.233   14.971 -16.32361 21.15063 
1 1 1    1    8    8 o  575.716   9.2983  429.589   13.866  433.682   19.758  425.617   19.465  578.238   13.191  572.841   13.118 5.397339 18.60365 
1 1 1    1    8    9 f  392.491   8.8471  199.662   8.9946  191.000   17.993  202.547   10.385  383.442   18.116  395.273   10.143 -11.83102 20.76209 
1 1 1    1    8   10 o  520.004   9.1782  350.520   12.363  345.600   24.728  352.159   14.275  515.654   18.513  521.145   10.575 -5.490540 21.32010 
1 1 1    1    8   11 o   52.508   19.466   2.7597   3.5199   9.7582   5.0876  -3.6659   4.8749   85.060   22.677   42.300   19.439 42.75949 29.86845 
1 1 1    1    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   13 o  355.194   9.0763  163.685   8.3508  153.934   11.826  173.382   11.794  344.112   13.267  365.282   12.464 -21.17044 18.20397 
1 1 1    1    8   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   15 o  301.644   13.448  118.471   10.507   0.0000   0.0000  118.471   10.507  ?   ?   301.644   13.448 0.000000 13.44768 
1 1 1    1    8   16 o  225.525   10.798   66.070   6.3082   65.688   9.1135   66.421   8.7404  223.945   15.812  225.312   15.063 -1.366913 21.83828 
1 1 1    1    8   17 o  316.279   11.228  129.868   9.1984  125.264   11.323  138.800   15.772  310.409   14.083  325.744   18.772 -15.33508 23.46746 
1 1 1    1    8   18 o  805.412   15.044  842.796   31.386   0.0000   0.0000  842.796   31.386  ?   ?   805.412   15.044 0.000000 15.04430 
1 1 1    1    8   19 o  787.463   12.215  804.434   24.915  799.696   30.520  813.900   43.137  784.812   15.013  790.808   21.059 -5.995483 25.86236 
1 1 1    1    8   20 o  572.956   9.7460  425.566   14.464  434.749   20.712  416.823   20.208  578.834   13.814  566.779   13.765 12.05511 19.50110 
1 1 1    1    8   21 o  255.644   11.586   84.750   7.6719   81.331   10.700   88.367   11.006  249.716   16.638  260.365   16.402 -10.64854 23.36350 
1 1 1    1    8   22 o  767.552   11.141  763.944   22.151  750.264   31.201  777.845   31.452  760.179   15.845  774.044   15.687 -13.86584 22.29685 
1 1 1    1    8   23 o  383.197   10.656  190.411   10.577  175.907   14.879  205.225   15.038  368.059   15.606  397.613   14.601 -29.55441 21.37138 
1 1 1    1    8   24 o  183.808   13.860   44.105   6.5506   42.916   9.0201   45.433   9.5288  180.571   19.599  185.773   20.124 -5.201813 28.09085 
1 1 1    1    8   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   26 o  834.446   12.804  904.070   27.676  961.800   49.045  877.098   33.523  858.572   22.053  821.378   15.756 37.19421 27.10352 
1 1 1    1    8   27 o  372.806   12.222  180.477   11.802  162.000   19.622  190.950   14.773  351.578   21.652  383.229   14.882 -31.65091 26.27347 
1 1 1    1    8   28 o  400.972   17.414  209.515   18.087  159.800   26.765  251.300   24.538  346.853   30.089  438.416   21.607 -91.56299 37.04306 
1 1 1    1    8   29 o  665.841   12.462  576.342   21.493  556.193   26.295  616.900   37.307  653.426   15.536  686.534   20.979 -33.10791 26.10499 
1 1 1    1    8   30 o  270.932   13.206   95.553   9.2680   93.325   13.438   97.574   12.799  266.244   19.624  272.566   18.234 -6.321747 26.78708 
1 1 1    1    8   31 o  347.442   11.433  157.084   10.289  163.444   15.099  151.569   14.059  353.509   16.489  340.533   15.938 12.97571 22.93269 
1 1 1    1    8   32 o  225.846   13.579   66.838   7.9071   67.088   10.703   66.538   11.732  225.154   18.516  223.696   20.475 1.458450 27.60524 
1 1 1    1    8   33 f  350.478   11.354  160.191   10.307  157.493   15.291  162.438   13.953  346.020   17.061  351.939   15.306 -5.919373 22.92039 
1 1 1    1    8   34 f  364.318   11.640  173.359   10.985  179.730   16.251  167.998   14.905  369.202   16.993  357.271   16.106 11.93140 23.41271 
1 1 1    1    8   35 o  338.210   11.908  149.639   10.432  144.107   15.338  154.401   14.230  329.317   18.049  342.156   16.056 -12.83917 24.15723 
1 1 1    1    8   36 o  171.643   17.084   39.420   7.4949   46.639   10.977   33.117   10.258  184.369   23.521  153.630   26.749 30.73911 35.61983 
1 1 1    1    8   37 o  188.509   18.753   47.972   9.0356   50.309   10.948   42.980   16.002  191.433   22.508  168.650   37.590 22.78262 43.81380 
1 1 1    1    8   38 o   84.481   29.789   9.4358   8.1115   3.0840   9.7905   23.340   14.485   73.401   30.716  122.829   39.833 -49.42776 50.30066 
1 1 1    1    8   39 o   74.813   28.477   6.4196   7.6410   4.9204   9.1199   9.9510   13.997   74.741   30.282   93.839   37.691 -19.09781 48.34895 
1 1 1    1    8   40 o  214.956   16.332   62.461   9.0259   64.168   11.555   59.790   14.455  215.008   21.017  202.149   28.388 12.85915 35.32163 
1 1 1    1    8   41 o   40.647   19.803 -10.9159   6.7270  -8.7162   9.3550 -13.2713   9.6803   53.441   25.317   50.103   24.257 3.337357 35.06234 
1 1 1    1    8   42 o  144.570   21.705   29.797   7.8771   30.706   11.836   29.074   10.554  138.672   33.358  136.967   30.526 1.704788 45.21762 
1 1 1    1    8   43 o  107.795   28.099   18.030   7.9262   13.763   11.447   21.960   10.986   94.306   35.077  114.990   34.292 -20.68336 49.05427 
1 1 1    1    8   44 o  105.941   28.449   17.835   7.9718   17.204   12.245   18.299   10.503  100.328   36.452  103.959   33.929 -3.630501 49.79850 
1 1 1    1    8   45 o   54.965   25.276  -2.9593   8.2605   2.3175   11.939  -7.8051   11.441   71.676   31.905   58.706   27.865 12.97003 42.36032 
1 1 1    1    8   46 f  132.264   39.699   34.879   14.688   70.910   23.415   11.500   18.861  174.298   49.530   89.288   39.896 85.00970 63.59975 
1 1 1    1    8   47 o  111.868   33.477   23.057   10.457   15.918   12.670   38.310   18.519   92.009   36.215  125.716   44.937 -33.70658 57.71402 
1 1 1    1    8   48 o   56.526   26.193  -2.3235   9.1187   0.2301   12.013  -5.7950   14.007   65.934   30.379   63.633   30.380 2.300785 42.96370 
1 1 1    1    8   49 o   69.174   28.732   6.8324   8.4759   7.3857   11.444   6.1601   12.615   73.041   31.919   72.414   32.473 0.6267700 45.53349 
1 1 1    1    9    0 o  1884.72   26.328  4624.16  128.532  4497.00  176.422  4768.00  187.638  1854.16   36.733  1908.57   37.954 -54.41382 52.81907 
1 1 1    1    9    1 o  1910.74   26.624  4753.37  131.772  4823.00  189.374  4688.00  183.475  1919.45   38.088  1892.74   37.423 26.70508 53.39647 
1 1 1    1    9    2 o  473.700   12.532  290.962   15.377  481.400   26.829  197.800   18.765  609.009   17.007  390.296   18.561 218.7128 25.17472 
1 1 1    1    9    3 o  381.662   10.068  188.804   9.9538  197.149   12.388  173.600   16.721  389.933   12.265  365.681   17.653 24.25195 21.49512 
1 1 1    1    9    4 o  766.812   10.199  762.162   20.258  758.619   28.576  765.742   28.722  764.719   14.426  768.300   14.432 -3.580994 20.40588 
1 1 1    1    9    5 o  369.127   8.9215  176.583   8.5303  179.062   12.256  174.255   11.880  371.585   12.734  366.572   12.511 5.013153 17.85157 
1 1 1    1    9    6 o  368.921   12.830  176.518   12.261  176.518   12.261   0.0000   0.0000  368.921   12.830  ?   ?  0.000000 12.83047 
1 1 1    1    9    7 o  337.825   9.2688  147.924   8.1108  145.509   11.449  150.357   11.492  334.924   13.197  340.464   13.030 -5.539581 18.54623 
1 1 1    1    9    8 f  387.393   9.1435  194.525   9.1752  181.552   12.957  207.576   12.995  374.078   13.371  400.033   12.541 -25.95523 18.33209 
1 1 1    1    9    9 o  101.896   21.800   14.031   5.5800  -1.7270   10.084   20.986   6.6993   69.220   30.111  125.249   21.419 -56.02961 36.95225 
1 1 1    1    9   10 o  261.694   9.5627   88.800   6.4823   86.050   14.003   89.550   7.3130  256.155   21.297  262.757   10.745 -6.602051 23.85431 
1 1 1    1    9   11 o  528.794   9.2654  362.647   12.691  347.000   25.104  368.019   14.709  516.174   18.775  532.579   10.662 -16.40533 21.59182 
1 1 1    1    9   12 o  516.710   10.595  346.607   14.180  349.800   25.651  345.201   17.017  517.710   19.128  515.390   12.746 2.320496 22.98565 
1 1 1    1    9   13 o  353.715   9.1865  162.414   8.4170  147.228   11.718  178.602   12.098  336.332   13.450  370.548   12.604 -34.21652 18.43303 
1 1 1    1    9   14 o  413.338   9.1655  221.832   9.8132  218.044   13.972  225.520   13.786  409.244   13.180  416.265   12.786 -7.020721 18.36256 
1 1 1    1    9   15 o  389.901   9.3044  197.362   9.3971  202.242   13.584  192.883   13.013  394.204   13.303  385.010   13.049 9.194336 18.63448 
1 1 1    1    9   16 o  347.335   11.314  156.670   10.179  162.592   12.516  145.100   17.494  353.621   13.664  332.649   20.401 20.97141 24.55405 
1 1 1    1    9   17 o  392.594   11.176  200.015   11.366  172.600   21.163  211.127   13.474  362.909   22.625  403.221   12.900 -40.31247 26.04419 
1 1 1    1    9   18 o  781.442   14.733  792.949   29.822  789.500   41.868  796.500   42.487  778.744   20.756  782.146   20.971 -3.402710 29.50558 
1 1 1    1    9   19 o  1206.56   13.342  1888.92   41.700  1903.71   59.455  1874.61   58.501  1210.14   18.967  1200.89   18.806 9.247437 26.71025 
1 1 1    1    9   20 o  964.991   11.784  1207.68   29.456  1224.27   42.247  1191.98   41.090  970.924   16.798  958.071   16.557 12.85303 23.58660 
1 1 1    1    9   21 o  333.555   11.351  144.277   9.8071  143.345   14.118  145.146   13.633  332.249   16.405  334.364   15.741 -2.114960 22.73499 
1 1 1    1    9   22 o  420.530   10.491  229.303   11.428  220.011   15.933  239.150   16.401  411.680   14.941  429.226   14.752 -17.54565 20.99620 
1 1 1    1    9   23 o  151.058   17.697   30.062   6.7935   31.531   10.376   28.959   8.9876  153.156   27.148  147.105   24.445 6.050827 36.53192 
1 1 1    1    9   24 o  612.142   10.506  486.006   16.659  474.369   23.890  497.019   23.242  604.294   15.262  618.642   14.504 -14.34839 21.05461 
1 1 1    1    9   25 o  521.187   11.618  352.498   15.684  363.200   25.979  346.361   19.674  528.177   18.988  516.325   14.710 11.85205 24.01976 
1 1 1    1    9   26 o  370.340   12.193  178.068   11.697  171.900   19.652  181.452   14.556  362.398   21.025  373.603   15.041 -11.20505 25.85109 
1 1 1    1    9   27 o  215.735   17.260   61.001   9.5645   45.092   11.071  107.800   18.989  184.131   23.767  285.550   25.957 -101.4188 35.19421 
1 1 1    1    9   28 o  295.899   15.388  114.296   11.753   91.340   17.112  134.800   16.172  262.503   25.487  320.678   19.563 -58.17496 32.12907 
1 1 1    1    9   29 o  589.066   10.407  450.702   15.880  482.161   22.717  420.642   22.206  608.480   14.413  568.190   15.088 40.29034 20.86607 
1 1 1    1    9   30 o  217.623   15.043   62.072   8.4280   63.744   12.374   60.627   11.510  219.074   22.109  213.850   21.052 5.223694 30.52857 
1 1 1    1    9   31 o  342.033   11.595  152.329   10.272  143.975   15.130  159.473   13.991  330.889   17.717  349.235   15.466 -18.34628 23.51822 
1 1 1    1    9   32 o  376.358   10.920  184.522   10.646  203.828   14.947  164.641   15.167  394.652   14.621  354.182   16.532 40.46973 22.07016 
1 1 1    1    9   33 o  140.242   21.435   26.700   7.5394   13.919   10.502   40.294   10.831  101.973   33.959  171.666   25.098 -69.69323 42.22694 
1 1 1    1    9   34 o  217.170   14.601   62.216   8.1658   75.459   12.620   52.677   10.710  237.175   20.750  197.694   21.248 39.48116 29.69942 
1 1 1    1    9   35 o  156.809   18.605   33.098   7.4096   29.689   10.679   36.263   10.290  144.460   29.534  161.769   25.392 -17.30930 38.94895 
1 1 1    1    9   36 o   37.623   18.292  -9.5013   5.6577  -4.9337   7.2941 -16.3998   8.9641   51.349   23.664   45.785   22.424 5.564838 32.60126 
1 1 1    1    9   37 o  249.236   21.074   84.581   13.478   67.670   18.690  102.900   19.453  213.965   34.928  270.074   28.224 -56.10913 44.90602 
1 1 1    1    9   38 o   58.118   25.702  -1.2770   7.6257  -3.2465   9.8837   1.6200   11.987   63.038   28.464   76.464   33.046 -13.42561 43.61422 
1 1 1    1    9   39 o  122.503   24.694   21.637   7.5651   32.139   10.867   11.759   10.538  147.142   29.537   92.460   33.782 54.68267 44.87417 
1 1 1    1    9   40 o  100.777   30.457   15.401   8.6237   5.5136   10.332   38.110   15.658   77.857   31.969  151.733   39.466 -73.87611 50.78962 
1 1 1    1    9   41 o  131.562   23.004   24.918   7.5538   27.988   11.081   22.253   10.325  133.531   32.371  118.692   32.589 14.83912 45.93414 
1 1 1    1    9   42 o  121.009   26.010   21.952   7.9104   34.779   11.357   9.8652   11.025  149.838   30.302   86.236   33.834 63.60217 45.41925 
1 1 1    1    9   43 o  112.791   25.890   19.374   7.4042   17.173   11.446   20.957   9.7090  101.573   35.416  113.422   31.777 -11.84895 47.58208 
1 1 1    1    9   44 o  164.584   20.756   39.128   8.6518   43.068   12.400   35.390   12.078  163.891   30.325  145.702   32.793 18.18826 44.66539 
1 1 1    1    9   45 o   56.576   25.545  -1.0763   7.9595   11.137   10.728 -16.0318   11.871   84.541   33.309   52.737   25.824 31.80401 42.14721 
1 1 1    1    9   46 o   51.788   25.318 -14.3051   11.271   0.0000   0.0000 -14.3051   11.271  ?   ?    51.788   25.318 0.000000 25.31768 
1 1 1    1    9   47 o   70.153   29.570   5.8784   9.1794   9.2748   10.779  -3.0860   17.512   78.315   32.454   72.062   34.283 6.252571 47.20811 
1 1 1    1    9   48 o   60.418   26.388   2.5636   7.8120   12.873   10.759  -8.9330   11.362   83.699   33.236   54.981   26.536 28.71724 42.53024 
1 1 1    1    9   49 o  106.588   30.506   21.374   8.8496   42.224   11.992  -3.5591   13.114  150.904   31.688   61.965   29.532 88.93885 43.31534 
1 1 1    1   10    0 o  611.352   13.269  484.766   21.012  484.766   21.012   0.0000   0.0000  611.352   13.269  ?   ?  0.000000 13.26872 
1 1 1    1   10    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10    2 o  971.320   11.509  1223.28   28.956  1223.60   41.033  1222.96   40.868  970.904   16.316  970.660   16.254 0.2442017 23.03047 
1 1 1    1   10    3 o  1069.95   12.182  1484.55   33.763  1496.25   48.093  1473.19   47.411  1073.46   17.296  1065.18   17.183 8.284912 24.38082 
1 1 1    1   10    4 o  828.016   10.612  888.853   22.760  906.804   32.702  871.988   31.698  835.910   15.103  819.724   14.928 16.18542 21.23577 
1 1 1    1   10    5 o  413.908   9.0649  222.053   9.7189  208.934   13.570  235.869   13.926  401.331   13.054  426.438   12.607 -25.10776 18.14772 
1 1 1    1   10    6 o  378.049   9.1347  185.257   8.9452  182.631   12.764  187.791   12.540  375.196   13.133  380.480   12.724 -5.283661 18.28604 
1 1 1    1   10    7 o  252.670   9.8918   82.771   6.4741   84.142   9.4302   81.550   8.9039  254.202   14.380  250.298   13.786 3.904068 19.92144 
1 1 1    1   10    8 o  615.354   9.6293  490.966   15.349  495.808   21.800  486.207   21.614  618.040   13.617  612.024   13.633 6.015015 19.26919 
1 1 1    1   10    9 o  246.139   10.677   78.591   6.8076   63.065   9.4458   95.371   9.8200  219.606   16.731  270.625   14.057 -51.01924 21.85238 
1 1 1    1   10   10 o  390.349   10.552  197.721   10.669  168.500   17.761  214.219   13.345  359.065   19.165  406.135   12.685 -47.07077 22.98287 
1 1 1    1   10   11 o  775.246   10.506  780.320   21.098  798.600   43.083  774.554   24.198  781.284   21.289  772.065   12.100 9.218933 24.48684 
1 1 1    1   10   12 o  667.922   9.9707  579.399   17.250  574.200   34.760  581.098   19.870  662.047   20.270  668.600   11.473 -6.552246 23.29131 
1 1 1    1   10   13 o  718.376   10.268  670.542   19.107  695.100   39.655  663.117   21.805  727.670   21.038  714.021   11.789 13.64911 24.11650 
1 1 1    1   10   14 o  252.204   10.088   82.619   6.5901   89.036   9.7180   77.155   8.9668  261.030   14.429  242.953   14.312 18.07704 20.32256 
1 1 1    1   10   15 o  207.002   25.558   57.130   13.413   0.0000   0.0000   57.130   13.413  ?   ?   207.002   25.558 0.000000 25.55784 
1 1 1    1   10   16 o  517.701   14.040  348.296   18.828  335.700   26.676  360.800   26.578  507.319   20.300  526.086   19.504 -18.76645 28.15077 
1 1 1    1   10   17 o  413.523   12.633  221.934   13.532  219.500   18.888  224.500   19.396  410.835   17.748  415.461   18.024 -4.626282 25.29538 
1 1 1    1   10   18 o  388.470   9.6853  195.649   9.7459  210.399   14.529  183.583   13.141  402.629   13.931  376.121   13.488 26.50787 19.39070 
1 1 1    1   10   19 o  648.035   10.170  544.461   17.072  554.660   24.486  534.813   23.814  653.731   14.460  641.941   14.322 11.78961 20.35200 
1 1 1    1   10   20 o  839.432   11.346  913.781   24.670  862.022   33.813  972.692   36.073  814.799   16.021  865.514   16.090 -50.71509 22.70580 
1 1 1    1   10   21 o  595.011   10.614  459.062   16.359  473.657   23.776  445.942   22.543  604.029   15.196  586.122   14.848 17.90704 21.24580 
1 1 1    1   10   22 o  555.769   10.246  400.516   14.750  375.128   20.875  425.828   20.844  537.504   14.993  572.764   14.049 -35.26044 20.54690 
1 1 1    1   10   23 o  464.613   10.365  279.954   12.474  274.408   17.695  285.434   17.588  459.663   14.861  468.839   14.483 -9.176147 20.75104 
1 1 1    1   10   24 o  256.448   13.396   85.622   8.8680   76.640   13.519   92.407   11.749  241.484   21.848  266.018   17.142 -24.53412 27.77066 
1 1 1    1   10   25 o  312.241   13.067  126.611   10.569  144.000   18.038  117.521   13.042  331.617   21.109  300.089   16.846 31.52795 27.00735 
1 1 1    1   10   26 o  765.885   11.088  761.398   21.998  752.230   31.193  770.468   31.027  760.384   15.837  769.606   15.564 -9.222290 22.20483 
1 1 1    1   10   27 o  313.375   19.775  128.721   15.970  104.700   23.635  148.900   21.663  279.273   33.331  335.978   25.072 -56.70517 41.70830 
1 1 1    1   10   28 o  158.704   22.334   33.642   8.9272   40.290   13.617   28.630   11.822  171.710   31.785  144.101   32.453 27.60956 45.42595 
1 1 1    1   10   29 o  388.601   11.017  196.278   11.089  186.906   15.768  205.451   15.599  378.450   16.084  396.946   15.171 -18.49637 22.11015 
1 1 1    1   10   30 o  180.985   16.143   43.152   7.4883   51.161   11.566   37.372   9.8259  195.546   23.292  166.703   23.400 28.84367 33.01594 
1 1 1    1   10   31 o  339.550   11.744  150.242   10.330  170.334   15.494  134.166   13.859  360.445   16.595  319.423   16.809 41.02264 23.62078 
1 1 1    1   10   32 o  228.605   14.009   68.647   8.2558   70.516   11.735   66.816   11.617  230.102   19.883  223.822   20.257 6.279327 28.38465 
1 1 1    1   10   33 o  299.246   12.562  117.130   9.7370  120.320   13.955  114.104   13.592  301.249   17.966  293.334   17.975 7.914886 25.41417 
1 1 1    1   10   34 o  203.814   16.102   55.116   8.4318   47.033   11.965   63.092   11.884  184.752   25.697  216.214   21.505 -31.46178 33.50864 
1 1 1    1   10   35 o  311.478   11.792  127.075   9.5141  134.041   13.566  120.331   13.347  317.788   16.537  300.754   17.204 17.03409 23.86297 
1 1 1    1   10   36 o  195.738   18.175   51.553   9.1097   57.625   10.934   37.770   16.472  205.884   20.787  156.355   40.387 49.52879 45.42258 
1 1 1    1   10   37 o   89.734   32.354   10.596   9.6196   0.0000   0.0000   10.596   9.6196  ?   ?    89.734   32.354 0.000000 32.35392 
1 1 1    1   10   38 o   50.875   23.376  -4.1493   7.0457  -9.7497   9.5697   2.4801   10.412   53.709   25.491   73.415   31.244 -19.70603 40.32320 
1 1 1    1   10   39 o   61.524   25.067   2.8620   6.2906   1.0744   9.2000   4.4317   8.6208   66.978   28.949   71.917   29.328 -4.938889 41.20851 
1 1 1    1   10   40 o  205.375   17.366   57.608   9.1519   55.162   11.205   62.510   15.862  197.732   22.264  203.227   31.123 -5.494125 38.26709 
1 1 1    1   10   41 o   78.986   29.928   8.0861   8.4155   11.818   9.7810  -2.5500   16.513   89.913   32.593   78.617   35.998 11.29656 48.56072 
1 1 1    1   10   42 o   38.644   18.999 -12.2217   6.6271  -9.7651   9.5268 -14.5251   9.2248   52.247   24.975   46.849   22.904 5.397552 33.88681 
1 1 1    1   10   43 f   55.190   24.783  -1.2854   7.3752   4.8225   10.253  -7.8355   10.617   73.635   31.156   57.166   27.050 16.46864 41.25979 
1 1 1    1   10   44 o   93.600   30.018   14.396   8.2434  -2.1245   11.342   32.894   12.002   64.738   29.714  138.326   33.786 -73.58712 44.99350 
1 1 1    1   10   45 o   86.952   31.692   12.646   9.2660   14.687   12.230   9.8940   14.198   91.438   35.702   84.191   36.173 7.247314 50.82406 
1 1 1    1   10   46 o   94.364   35.949   16.964   12.183   16.750   16.498   17.220   18.069   92.947   39.435   93.579   40.507 -0.6327209 56.53291 
1 1 1    1   10   47 o   66.128   28.716   3.9793   9.1385   7.9040   12.555  -0.4433   13.327   76.855   33.513   67.579   31.435 9.275398 45.94857 
1 1 1    1   10   48 o  108.891   31.533   22.303   9.4060   15.476   13.143   29.471   13.467   86.900   35.909  114.532   38.459 -27.63216 52.61698 
1 1 1    1   10   49 o   92.055   30.696   16.620   8.5796   19.322   12.909   14.482   11.483   90.745   36.285   83.092   33.862 7.653542 49.63135 
1 1 1    1   11    0 o  778.407   14.625  786.367   29.489   0.0000   0.0000  786.367   29.489  ?   ?   778.407   14.625 0.000000 14.62518 
1 1 1    1   11    1 o  713.792   14.166  661.160   26.191  661.160   26.191   0.0000   0.0000  713.792   14.166  ?   ?  0.000000 14.16557 
1 1 1    1   11    2 o  1301.25   19.698  2201.44   66.394   0.0000   0.0000  2201.44   66.394  ?   ?   1301.25   19.698 0.000000 19.69790 
1 1 1    1   11    3 o  902.920   11.139  1057.22   26.053  1173.97   39.765  969.410   34.487  950.810   16.146  864.113   15.407 86.69714 22.31744 
1 1 1    1   11    4 o  779.679   14.724  789.125   29.736  789.125   29.736   0.0000   0.0000  779.679   14.724  ?   ?  0.000000 14.72359 
1 1 1    1   11    5 o  780.680   10.417  790.312   21.066  765.829   29.285  816.564   30.325  768.024   14.721  793.051   14.762 -25.02710 20.84751 
1 1 1    1   11    6 o  977.922   16.475  1242.72   41.732   0.0000   0.0000  1242.72   41.732  ?   ?   977.922   16.475 0.000000 16.47466 
1 1 1    1   11    7 o  325.647   13.946  137.713   11.764  137.713   11.764   0.0000   0.0000  325.647   13.946  ?   ?  0.000000 13.94584 
1 1 1    1   11    8 o  141.194   14.806   26.192   5.3346   23.538   7.2286   29.367   7.9051  132.605   21.803  148.594   21.134 -15.98808 30.36412 
1 1 1    1   11    9 o  146.257   14.453   28.088   5.4040   24.308   7.4799   32.214   7.8159  134.616   22.227  155.887   19.803 -21.27061 29.76895 
1 1 1    1   11   10 o  244.184   11.441   77.477   7.2364   77.663   10.280   77.294   10.188  243.521   16.392  242.956   16.283 0.5649872 23.10546 
1 1 1    1   11   11 o  189.150   12.529   46.755   6.1040   38.710   14.311   48.544   6.7486  167.193   34.199  192.598   13.615 -25.40440 36.80936 
1 1 1    1   11   12 o  582.179   9.6679  440.258   14.579  426.400   29.388  444.782   16.791  570.248   19.896  584.893   11.083 -14.64557 22.77421 
1 1 1    1   11   13 o  183.496   13.524   44.074   6.3827   51.440   14.642   42.346   7.0920  194.687   29.997  179.558   15.397 15.12929 33.71806 
1 1 1    1   11   14 o  475.125   20.733  295.300   25.517  295.300   25.517   0.0000   0.0000  475.125   20.733  ?   ?  0.000000 20.73320 
1 1 1    1   11   15 o  408.668   14.562  217.132   15.415  213.700   22.073  220.400   21.538  404.027   21.165  411.001   20.230 -6.974426 29.27851 
1 1 1    1   11   16 o  553.530   13.092  397.767   18.771  377.700   26.179  419.000   26.929  538.718   18.760  567.471   18.320 -28.75299 26.22169 
1 1 1    1   11   17 o  188.667   13.303   46.422   6.4596   52.421   9.6127   41.483   8.7224  199.911   18.784  177.562   19.274 22.34912 26.91300 
1 1 1    1   11   18 o  160.705   15.773   33.856   6.4812   38.996   9.4415   29.275   8.9130  171.757   21.706  148.030   24.072 23.72699 32.41302 
1 1 1    1   11   19 o  392.597   15.001  200.078   15.256   0.0000   0.0000  200.078   15.256  ?   ?   392.597   15.001 0.000000 15.00146 
1 1 1    1   11   20 o  987.894   12.199  1265.92   31.216  1256.93   44.401  1274.71   43.897  983.595   17.427  990.582   17.108 -6.987427 24.42084 
1 1 1    1   11   21 o  477.589   14.925  296.147   18.463   0.0000   0.0000  296.147   18.463  ?   ?   477.589   14.925 0.000000 14.92470 
1 1 1    1   11   22 o  392.715   14.160  200.238   14.404   0.0000   0.0000  200.238   14.404  ?   ?   392.715   14.160 0.000000 14.15995 
1 1 1    1   11   23 o  377.449   11.922  184.877   11.656  198.600   19.096  176.728   14.716  390.634   18.872  368.796   15.404 21.83795 24.36104 
1 1 1    1   11   24 o  212.477   16.630   59.075   9.0799   56.790   14.791   60.457   11.503  206.252   28.441  214.324   20.989 -8.071320 35.34719 
1 1 1    1   11   25 o  315.934   15.764  129.836   12.901   0.0000   0.0000  129.836   12.901  ?   ?   315.934   15.764 0.000000 15.76377 
1 1 1    1   11   26 o  793.747   16.309  820.326   33.531  823.400   48.915  817.600   46.055  792.864   23.817  790.546   22.491 2.317627 32.75791 
1 1 1    1   11   27 o  164.838   33.200   37.300   13.686   37.300   13.686   0.0000   0.0000  164.838   33.200  ?   ?  0.000000 33.20039 
1 1 1    1   11   28 o  100.694   26.962   13.855   7.1727   14.529   10.390   13.242   9.9146  105.202   33.695  101.121   32.964 4.081123 47.13778 
1 1 1    1   11   29 o  337.384   11.750  148.100   10.269  150.752   14.619  145.518   14.427  339.617   16.618  333.234   16.767 6.382721 23.60708 
1 1 1    1   11   30 o  219.444   14.772   63.202   8.3479   68.219   12.193   58.776   11.453  226.549   21.017  210.058   21.345 16.49051 29.95581 
1 1 1    1   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   32 o  487.870   10.651  310.343   13.460  330.567   19.892  293.263   18.281  501.733   15.306  472.733   14.929 29.00000 21.38083 
1 1 1    1   11   33 o  181.678   16.505   43.878   7.6826   47.599   11.680   41.041   10.200  186.418   24.804  173.466   23.288 12.95190 34.02295 
1 1 1    1   11   34 o  165.955   16.816   36.793   7.1290   32.470   9.9297   41.392   10.242  152.581   26.059  173.812   23.337 -21.23065 34.98155 
1 1 1    1   11   35 o  168.937   17.886   38.391   7.7078   35.281   10.796   41.624   11.008  158.072   27.357  172.938   25.324 -14.86522 37.27880 
1 1 1    1   11   36 o  112.285   36.307   18.646   12.041   21.620   17.786   16.130   16.360  120.935   43.934  109.828   41.701 11.10715 60.57361 
1 1 1    1   11   37 o  194.150   19.260   51.400   9.5583   66.860   14.203   38.600   12.923  217.683   25.682  160.988   32.115 56.69537 41.12138 
1 1 1    1   11   38 o   96.547   25.362   13.600   6.4248   29.937   9.1893  -2.0220   8.9861  144.120   25.551   61.364   27.470 82.75574 37.51616 
1 1 1    1   11   39 f  145.174   21.138   29.638   7.7155   37.287   10.774   21.585   11.055  159.434   27.054  116.832   34.287 42.60169 43.67541 
1 1 1    1   11   40 o  243.045   21.204   82.806   13.216   0.0000   0.0000   82.806   13.216  ?   ?   243.045   21.204 0.000000 21.20434 
1 1 1    1   11   41 f  176.900   21.514   44.511   9.6553   47.266   11.567   38.180   17.535  179.144   25.659  144.018   43.409 35.12663 50.42577 
1 1 1    1   11   42 o   76.047   30.642   6.7278   9.2827  -3.4751   11.127   30.080   16.834   63.879   29.360  125.433   42.994 -61.55451 52.06225 
1 1 1    1   11   43 o  115.212   28.460   21.186   8.4435   23.516   11.871   18.801   12.012  115.068   35.914  103.302   36.266 11.76597 51.03940 
1 1 1    1   11   44 o  177.380   19.048   45.128   8.6151   46.912   12.552   43.540   11.846  170.226   29.538  164.670   28.821 5.556320 41.26929 
1 1 1    1   11   45 o   94.186   42.411   16.410   21.769   16.410   21.769   0.0000   0.0000   94.186   42.411  ?   ?  0.000000 42.41143 
1 1 1    1   11   46 o   68.965   28.712   5.8312   8.4930   8.0455   10.375   1.3340   14.786   75.597   31.626   72.163   33.409 3.434013 46.00382 
1 1 1    1   11   47 o   54.769   25.233  -1.7156   8.2853  -7.7963   11.697   4.4071   11.737   56.760   27.275   70.197   31.412 -13.43652 41.60098 
1 1 1    1   11   48 o   97.650   31.611   18.577   9.1257   20.232   12.417   16.634   13.457   95.036   36.271   87.307   36.228 7.729050 51.26450 
1 1 1    1   12    0 o  703.332   14.092  642.222   25.673   0.0000   0.0000  642.222   25.673  ?   ?   703.332   14.092 0.000000 14.09198 
1 1 1    1   12    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12    2 o  483.121   13.048  302.941   16.329   0.0000   0.0000  302.941   16.329  ?   ?   483.121   13.048 0.000000 13.04821 
1 1 1    1   12    3 o  575.944   9.5054  430.125   14.181  439.362   20.341  421.391   19.780  581.745   13.499  569.733   13.403 12.01196 19.02246 
1 1 1    1   12    4 o  631.261   9.7641  516.788   15.966  519.303   22.664  514.309   22.495  632.374   13.836  629.331   13.800 3.043701 19.54125 
1 1 1    1   12    5 o  234.024   10.506   71.051   6.3685   72.572   9.0530   69.561   8.9604  235.850   14.895  230.865   15.066 4.984528 21.18626 
1 1 1    1   12    6 o  327.274   9.9401  138.957   8.4266  137.842   11.999  140.042   11.837  325.670   14.224  328.282   13.920 -2.612061 19.90177 
1 1 1    1   12    7 o  380.643   9.4519  187.991   9.3194  186.312   13.181  189.671   13.178  378.591   13.441  382.001   13.318 -3.410217 18.92157 
1 1 1    1   12    8 o  351.530   10.130  160.444   9.2244  148.433   12.892  173.042   13.204  337.649   14.741  364.661   13.978 -27.01236 20.31453 
1 1 1    1   12    9 o  204.595   13.119   54.704   6.9160   44.434   9.9726   64.219   9.5995  182.810   21.469  221.137   16.886 -38.32629 27.31383 
1 1 1    1   12   10 o  169.777   13.792   37.801   6.0129   38.439   9.2447   37.332   7.9161  169.742   21.508  167.881   18.511 1.861511 28.37750 
1 1 1    1   12   11 o  186.509   14.020   45.586   6.7239   40.272   9.9170   50.108   9.1477  173.542   22.597  194.817   18.343 -21.27509 29.10499 
1 1 1    1   12   12 o  277.941   10.897  100.392   7.8456   76.490   16.801  107.057   8.8724  238.934   27.658  286.923   11.938 -47.98863 30.12399 
1 1 1    1   12   13 o  564.929   11.903  414.677   17.419  393.800   30.062  425.228   21.372  548.621   21.154  571.638   14.434 -23.01715 25.60915 
1 1 1    1   12   14 o  612.037   21.245  489.100   33.681  489.100   33.681   0.0000   0.0000  612.037   21.245  ?   ?  0.000000 21.24520 
1 1 1    1   12   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   16 o  580.976   10.137  437.685   15.256  356.000   29.017  468.889   17.934  522.872   21.424  601.224   11.516 -78.35187 24.32306 
1 1 1    1   12   17 o  517.034   9.8708  346.588   13.220  351.709   18.884  341.666   18.513  520.564   14.004  513.083   13.929 7.480591 19.75219 
1 1 1    1   12   18 o  604.260   10.283  473.417   16.096  476.067   22.989  470.869   22.543  605.606   14.655  602.310   14.449 3.296265 20.58008 
1 1 1    1   12   19 o  403.314   11.387  210.959   11.896  238.170   18.195  190.642   15.722  428.223   16.403  383.158   15.841 45.06531 22.80340 
1 1 1    1   12   20 o  1248.68   13.900  2023.77   44.958  2002.57   63.250  2045.42   63.914  1240.78   19.680  1253.98   19.677 -13.20251 27.82932 
1 1 1    1   12   21 o  541.480   10.249  380.230   14.375  354.727   19.888  408.133   20.803  522.650   14.690  560.652   14.325 -38.00159 20.51805 
1 1 1    1   12   22 o  331.279   12.403  142.435   10.643  156.600   18.074  134.916   13.168  346.177   20.244  322.208   15.778 23.96844 25.66653 
1 1 1    1   12   23 o  313.928   13.364  127.985   10.867  124.300   17.893  130.138   13.678  307.793   22.601  315.872   16.778 -8.079285 28.14798 
1 1 1    1   12   24 o  521.542   14.940  353.634   20.183   0.0000   0.0000  353.634   20.183  ?   ?   521.542   14.940 0.000000 14.93987 
1 1 1    1   12   25 o  213.047   18.115   59.580   9.9018   58.213   12.642   61.750   15.927  209.570   23.705  214.660   29.417 -5.089310 37.77967 
1 1 1    1   12   26 o  357.842   13.486  166.519   12.501  122.900   26.386  179.144   14.195  302.317   34.302  371.009   14.771 -68.69266 37.34703 
1 1 1    1   12   27 o  214.595   19.357   60.701   10.644   53.470   14.804   68.440   15.314  198.895   29.639  226.318   26.633 -27.42352 39.84746 
1 1 1    1   12   28 o  323.559   12.383  136.239   10.379  139.774   15.089  133.064   14.298  326.405   17.915  318.570   17.393 7.835754 24.96935 
1 1 1    1   12   29 o   81.059   27.090   8.3115   6.6817   2.4239   8.7437   16.576   10.359   71.288   29.357  110.183   33.400 -38.89530 44.46746 
1 1 1    1   12   30 o  411.614   16.409  222.196   17.495  222.196   17.495   0.0000   0.0000  411.614   16.409  ?   ?  0.000000 16.40880 
1 1 1    1   12   31 o  467.137   10.980  284.535   13.286  274.578   18.685  294.717   18.894  457.260   15.775  473.888   15.392 -16.62842 22.04045 
1 1 1    1   12   32 o  217.126   15.490   62.316   8.6550   62.725   12.231   61.905   12.249  215.583   22.222  214.081   22.421 1.502045 31.56752 
1 1 1    1   12   33 o  154.400   20.046   32.272   7.8281   24.535   11.475   39.007   10.706  129.863   33.789  167.971   25.400 -38.10844 42.27100 
1 1 1    1   12   34 o  230.227   14.163   70.055   8.4054   83.013   12.810   60.259   11.139  248.262   20.092  211.056   20.638 37.20575 28.80344 
1 1 1    1   12   35 o   61.008   26.537  -0.3600   7.8307  -5.7675   9.3569   12.280   14.306   58.263   26.833  100.731   38.812 -42.46862 47.18442 
1 1 1    1   12   36 o  331.698   14.358  145.785   12.336  122.000   26.276  152.510   13.972  285.228   36.394  338.376   15.940 -53.14780 39.73145 
1 1 1    1   12   37 o  153.695   21.166   32.858   8.2028   32.332   9.7862   34.100   15.041  149.844   26.165  145.693   39.058 4.151825 47.01228 
1 1 1    1   12   38 o  225.743   15.244   68.541   8.8618   66.820   12.390   70.343   12.679  218.448   22.206  224.242   22.117 -5.794754 31.34121 
1 1 1    1   12   39 o  177.880   17.353   43.350   7.8937   47.773   11.549   39.472   10.814  181.605   25.232  164.101   26.331 17.50473 36.46890 
1 1 1    1   12   40 o   48.992   22.728  -4.4712   6.8939   2.1486   10.014 -10.4359   9.5053   69.948   30.217   51.798   24.810 18.14986 39.09731 
1 1 1    1   12   41 o   53.220   23.861  -1.4522   6.8078  -7.0459   8.7591   7.0823   10.819   52.468   24.747   79.742   32.725 -27.27432 41.02885 
1 1 1    1   12   42 o   80.930   31.228   9.1845   9.2712   21.828   10.961 -22.6100   17.381  112.958   34.382   62.925   30.902 50.03275 46.22789 
1 1 1    1   12   43 o   56.962   26.060  -2.3731   8.6275  -1.1051   11.198  -4.2250   13.533   65.578   29.881   67.263   31.417 -1.684410 43.35774 
1 1 1    1   12   44 o   67.996   30.127   2.4500   10.526   2.4500   10.526   0.0000   0.0000   67.996   30.127  ?   ?  0.000000 30.12715 
1 1 1    1   12   45 o   60.640   29.706 -15.8200   15.753   0.0000   0.0000 -15.8200   15.753  ?   ?    60.640   29.706 0.000000 29.70574 
1 1 1    1   12   46 o   71.218   30.359   6.3357   9.8604   5.2430   12.548   8.1000   15.944   72.915   32.563   79.617   36.032 -6.702774 48.56646 
1 1 1    1   12   47 o   49.877   23.876  -6.6178   8.7755  -1.1620   12.054 -12.7693   12.800   63.233   29.573   54.840   26.846 8.393215 39.94064 
1 1 1    1   12   48 o   65.961   27.761   6.0854   8.0712   16.101   12.264  -1.5672   10.720   85.572   34.948   58.992   27.684 26.58018 44.58441 
1 1 1    1   13    0 o  513.996   9.4005  342.688   12.516  350.068   17.875  335.590   17.530  519.107   13.293  508.258   13.316 10.84979 18.81541 
1 1 1    1   13    1 o  366.490   9.4252  174.227   8.9475  184.253   12.784  164.599   12.528  376.615   13.104  355.923   13.588 20.69217 18.87736 
1 1 1    1   13    2 o  215.771   16.292   60.927   9.0385   60.927   9.0385   0.0000   0.0000  215.771   16.292  ?   ?  0.000000 16.29175 
1 1 1    1   13    3 o  512.554   13.255  341.402   17.598   0.0000   0.0000  341.402   17.598  ?   ?   512.554   13.255 0.000000 13.25505 
1 1 1    1   13    4 o  710.150   10.225  654.596   18.808  667.903   26.974  642.004   26.240  716.530   14.533  702.524   14.419 14.00531 20.47255 
1 1 1    1   13    5 f  274.561   10.638   97.895   7.5656   86.808   10.542  109.668   10.864  257.647   15.873  290.277   14.449 -32.62958 21.46446 
1 1 1    1   13    6 o  387.415   14.269  195.449   14.319  195.449   14.319   0.0000   0.0000  387.415   14.269  ?   ?  0.000000 14.26893 
1 1 1    1   13    7 o  142.953   16.968   27.061   6.1603   15.147   8.5691   39.806   8.8623  105.345   29.973  173.133   20.138 -67.78867 36.10940 
1 1 1    1   13    8 f   84.732   24.346   9.6996   5.6266   12.706   7.9201   6.6362   7.9950   97.117   29.152   79.222   29.344 17.89515 41.36328 
1 1 1    1   13    9 o  174.800   14.412   40.111   6.4676   40.194   9.7659   40.046   8.6318  173.399   22.257  173.695   19.523 -0.2960968 29.60591 
1 1 1    1   13   10 o   89.096   25.867   10.715   6.3222  -2.1787   10.027   19.223   8.1452   67.650   29.712  118.203   27.171 -50.55353 40.26282 
1 1 1    1   13   11 o  374.578   10.193  182.225   9.8902  181.257   14.285  183.116   13.707  373.013   14.784  375.018   14.110 -2.005341 20.43703 
1 1 1    1   13   12 o  181.345   23.198   43.764   10.647   35.540   15.668   50.820   14.513  160.040   38.305  194.112   29.818 -34.07126 48.54239 
1 1 1    1   13   13 o  285.344   12.752  105.750   9.4255  130.800   20.210   98.787   10.655  315.140   24.962  275.237   15.002 39.90338 29.12343 
1 1 1    1   13   14 o  508.049   13.936  335.201   18.340   0.0000   0.0000  335.201   18.340  ?   ?   508.049   13.936 0.000000 13.93648 
1 1 1    1   13   15 o  209.683   13.253   57.290   7.1613   82.190   19.252   53.291   7.7149  248.732   30.521  202.040   14.845 46.69186 33.94011 
1 1 1    1   13   16 o  670.903   10.667  583.693   18.538  600.000   39.241  579.008   21.033  678.775   22.318  668.080   12.154 10.69470 25.41322 
1 1 1    1   13   17 o  597.158   10.575  462.399   16.358  469.500   34.200  460.292   18.627  600.537   21.986  595.688   12.072 4.848267 25.08186 
1 1 1    1   13   18 o  279.074   16.620  101.526   11.960  148.400   26.259   89.256   13.435  335.470   30.554  261.199   20.009 74.27124 36.52223 
1 1 1    1   13   19 o  172.580   16.812   39.063   7.4199   39.542   10.352   38.556   10.641  172.584   23.789  170.186   24.872 2.397629 34.41660 
1 1 1    1   13   20 o  700.737   10.706  636.869   19.433  614.767   27.671  658.380   27.299  687.929   15.528  712.010   14.802 -24.08130 21.45259 
1 1 1    1   13   21 f  431.465   11.946  241.580   13.352  254.500   23.055  235.061   16.378  442.057   20.135  425.375   14.864 16.68170 25.02655 
1 1 1    1   13   22 o  356.683   12.398  165.159   11.455  195.900   20.509  151.221   13.809  387.143   20.524  341.067   15.631 46.07559 25.79865 
1 1 1    1   13   23 o  136.317   23.359   24.957   7.9514   3.4931   11.556   44.259   10.958   83.051   33.921  182.497   23.743 -99.44614 41.40527 
1 1 1    1   13   24 o  339.929   12.277  150.092   10.810  144.240   15.569  155.538   15.020  332.178   18.163  345.608   16.778 -13.42941 24.72646 
1 1 1    1   13   25 o  170.788   30.058   39.593   12.812   55.090   23.148   32.750   15.383  197.991   46.012  153.592   38.685 44.39870 60.11351 
1 1 1    1   13   26 o   81.030   29.123   7.3939   7.7879   10.640   9.9076   2.1450   12.599   94.278   32.945   83.328   34.854 10.95028 47.96070 
1 1 1    1   13   27 o  250.038   13.816   81.679   8.9134  105.887   12.691   58.116   12.521  284.140   17.326  208.842   23.558 75.29778 29.24319 
1 1 1    1   13   28 o  100.571   28.091   13.868   7.5993   23.309   11.166   5.7232   10.372  129.198   33.190   83.245   32.766 45.95284 46.63911 
1 1 1    1   13   29 o  327.577   11.860  139.843   10.063  139.883   14.349  139.805   14.117  326.123   17.045  326.112   16.768 0.1068115E-01 23.91070 
1 1 1    1   13   30 o  276.769   13.103  100.122   9.3935  113.228   13.914   89.147   12.733  292.470   18.461  259.176   19.101 33.29480 26.56449 
1 1 1    1   13   31 o   96.374   25.440   12.966   6.4438   10.643   8.5596   16.005   9.7896   90.380   30.659  106.884   32.484 -16.50423 44.66756 
1 1 1    1   13   32 o  180.775   17.287   43.602   7.9962   52.809   11.782   35.740   10.888  196.793   23.583  160.013   27.244 36.77963 36.03313 
1 1 1    1   13   33 o   63.436   25.500   2.9561   6.4126   7.7200   8.6500  -2.8568   9.5549   81.897   30.485   63.470   28.376 18.42720 41.64776 
1 1 1    1   13   34 o   68.974   27.307   4.1769   7.2423   10.088   10.780  -0.6857   9.7775   91.087   34.008   67.322   29.460 23.76538 44.99340 
1 1 1    1   13   35 o  161.669   32.551   38.637   13.160   37.990   19.210   39.210   18.064  152.349   45.326  156.105   43.207 -3.755295 62.62014 
1 1 1    1   13   36 o  134.583   27.247   26.323   9.1729   10.520   12.038   48.200   14.164   92.267   35.589  180.452   31.446 -88.18539 47.49120 
1 1 1    1   13   37 o  115.195   26.149   19.470   7.6240   35.492   11.225   5.7525   10.387  154.749   29.072   78.835   32.176 75.91413 43.36412 
1 1 1    1   13   38 f  118.301   23.052   20.185   6.8101   19.763   10.818   20.462   8.7646  111.691   34.190  115.942   29.200 -4.251640 44.96249 
1 1 1    1   13   39 o   67.034   26.501   4.6801   6.8119   1.8697   9.0478   8.3576   10.350   67.031   28.840   82.631   32.666 -15.59993 43.57553 
1 1 1    1   13   40 o   68.133   27.567   4.5695   7.5467   18.455   10.502 -10.2565   10.852  106.333   33.858   56.140   26.786 50.19294 43.17222 
1 1 1    1   13   41 o  153.546   21.652   34.080   8.3727   25.537   11.912   42.422   11.771  121.897   35.540  165.792   28.433 -43.89539 45.51387 
1 1 1    1   13   42 o   84.881   29.253   11.310   7.7984   20.354   10.835   1.5907   11.233  108.008   34.391   69.703   30.991 38.30487 46.29475 
1 1 1    1   13   43 o   89.729   32.805   13.658   9.9396   14.173   11.661   12.290   19.009   90.801   35.026   90.946   40.381 -0.1446304 53.45525 
1 1 1    1   13   44 o  103.789   44.358   25.930   21.149   25.930   21.149   0.0000   0.0000  103.789   44.358  ?   ?  0.000000 44.35837 
1 1 1    1   13   45 o   51.165   23.987  -4.1239   8.0123   3.7220   14.247  -7.7534   9.6899   73.560   33.590   52.175   25.006 21.38464 41.87591 
1 1 1    1   13   46 o   74.527   30.262   8.8119   9.1296   15.001   12.817   2.4380   13.007   86.889   35.634   69.174   31.775 17.71491 47.74380 
1 1 1    1   13   47 o   64.750   28.234   4.5428   8.9105   6.9322   12.595   2.1487   12.608   72.492   32.482   66.764   30.888 5.728256 44.82362 
1 1 1    1   13   48 o   56.652   25.829   0.9018   8.3825   9.4479   12.413  -6.2632   11.366   73.432   32.617   54.951   26.527 18.48077 42.04208 
1 1 1    1   14    0 o   60.502   23.061   3.3681   5.0153   5.6165   7.6168   1.6472   6.6638   75.603   28.514   62.215   25.625 13.38880 38.33673 
1 1 1    1   14    1 o  233.001   11.383   70.568   6.8702   67.991   9.5958   73.278   9.8405  227.693   16.379  236.460   16.163 -8.766800 23.01130 
1 1 1    1   14    2 o  400.873   9.7569  208.700   10.131  205.669   14.455  211.627   14.204  397.370   14.043  403.155   13.602 -5.784943 19.55049 
1 1 1    1   14    3 o  303.951   10.296  120.038   8.1067  124.901   11.601  115.397   11.333  309.563   14.467  297.522   14.706 12.04181 20.62888 
1 1 1    1   14    4 o  204.348   12.061   54.521   6.3559   76.433   9.5137   36.857   8.5417  241.560   15.283  166.438   20.229 75.12215 25.35301 
1 1 1    1   14    5 o  526.133   9.8651  359.679   13.445  347.714   18.902  371.932   19.127  516.431   14.130  534.189   13.823 -17.75745 19.76708 
1 1 1    1   14    6 o  405.527   9.8980  213.704   10.397  207.589   14.802  219.659   14.608  398.955   14.323  410.504   13.738 -11.54898 19.84649 
1 1 1    1   14    7 o  493.133   9.9414  316.012   12.699  323.983   18.462  308.854   17.495  498.424   14.300  486.746   13.876 11.67850 19.92535 
1 1 1    1   14    8 o  402.522   14.508  211.254   15.127  211.254   15.127   0.0000   0.0000  402.522   14.508  ?   ?  0.000000 14.50830 
1 1 1    1   14    9 o  335.891   11.055  146.631   9.6181  143.637   13.732  149.515   13.476  331.817   15.976  338.630   15.363 -6.812988 22.16464 
1 1 1    1   14   10 o  358.332   15.718  167.273   14.590  155.100   20.695  179.300   20.571  343.064   23.429  369.429   21.591 -26.36533 31.86005 
1 1 1    1   14   11 o  426.302   12.359  236.089   13.647  240.723   17.363  228.600   22.075  430.079   15.586  418.396   20.369 11.68286 25.64778 
1 1 1    1   14   12 o  183.094   17.261   44.008   8.0898   48.090   13.352   41.640   10.169  189.532   28.043  177.166   22.679 12.36600 36.06560 
1 1 1    1   14   13 o  438.312   11.885  249.298   13.494  207.300   25.113  266.345   16.000  397.724   24.496  452.914   13.638 -55.19052 28.03662 
1 1 1    1   14   14 o  545.065   10.246  385.269   14.466  400.600   32.134  381.373   16.200  554.489   22.373  542.210   11.534 12.27893 25.17132 
1 1 1    1   14   15 o  774.849   11.061  778.668   22.201  876.000   49.252  753.848   24.871  819.941   23.189  762.245   12.596 57.69592 26.38977 
1 1 1    1   14   16 o  434.678   13.141  245.176   14.796  248.400   25.566  243.553   18.143  436.124   22.709  433.025   16.175 3.099762 27.88100 
1 1 1    1   14   17 o  667.813   13.317  578.743   23.036  504.700   40.043  615.371   28.164  622.113   24.849  688.345   15.795 -66.23218 29.44431 
1 1 1    1   14   18 o  994.712   12.537  1283.86   32.302  1303.00   65.739  1277.77   37.087  999.242   25.398  992.051   14.433 7.191223 29.21251 
1 1 1    1   14   19 o  361.224   12.402  169.327   11.604   97.230   24.900  189.329   13.115  269.350   36.640  381.910   13.258 -112.5598 38.96469 
1 1 1    1   14   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14   21 o  355.342   12.800  163.951   11.782  170.500   19.729  160.321   14.688  360.966   21.194  351.124   16.149 9.841919 26.64533 
1 1 1    1   14   22 o  155.957   20.075   32.232   7.9215   29.717   11.899   34.234   10.615  147.415   32.075  159.543   26.625 -12.12831 41.68559 
1 1 1    1   14   23 o  370.482   11.790  178.246   11.314  171.845   16.277  184.230   15.738  363.208   17.301  376.207   16.150 -12.99960 23.66720 
1 1 1    1   14   24 o  341.925   19.626  153.186   17.310  155.100   26.715  151.800   22.726  341.310   30.540  338.879   26.090 2.430176 40.16689 
1 1 1    1   14   25 o  109.143   28.605   16.316   8.1851   19.050   12.882   14.465   10.600  119.440   37.434  105.407   34.063 14.03374 50.61228 
1 1 1    1   14   26 o  353.060   12.662  162.203   11.580  167.832   14.282  151.400   19.784  358.736   15.370  338.626   22.687 20.11060 27.40280 
1 1 1    1   14   27 o   88.263   27.799   10.276   7.0945   6.0771   10.478   13.831   9.6405   84.328   33.013  102.048   32.434 -17.72004 46.27959 
1 1 1    1   14   28 o  391.359   17.280  200.888   17.518  200.888   17.518   0.0000   0.0000  391.359   17.280  ?   ?  0.000000 17.28037 
1 1 1    1   14   29 o  243.580   12.900   77.712   8.1103   86.482   11.942   70.205   11.049  255.636   18.153  230.042   18.704 25.59399 26.06516 
1 1 1    1   14   30 o  224.637   13.929   66.374   8.0649   79.342   12.502   57.133   10.554  243.800   19.973  206.638   19.967 37.16260 28.24173 
1 1 1    1   14   31 o  288.728   12.749  109.208   9.5348  116.404   14.208  103.313   12.861  295.641   18.649  278.759   17.906 16.88214 25.85334 
1 1 1    1   14   32 o  405.479   11.038  215.001   11.594  213.145   16.505  216.810   16.289  401.677   15.863  405.289   15.516 -3.611176 22.18985 
1 1 1    1   14   33 o  162.033   18.112   35.398   7.4717   25.866   11.062   43.395   10.132  132.757   32.442  177.832   22.500 -45.07495 39.48097 
1 1 1    1   14   34 o  287.434   15.490  109.936   11.491  125.262   14.075   79.310   19.896  305.549   17.861  232.417   34.059 73.13226 38.45846 
1 1 1    1   14   35 o  127.346   25.203   23.220   8.0191   5.7480   21.342   26.092   8.6532  100.047   43.659  134.944   25.694 -34.89687 50.65842 
1 1 1    1   14   36 o   58.699   25.805  -0.6437   7.5791  -0.8630   10.570  -0.4116   10.873   68.107   30.183   69.650   30.752 -1.543152 43.08907 
1 1 1    1   14   37 o  156.463   19.560   34.009   7.7542   31.970   10.727   36.241   11.222  145.753   29.426  155.817   28.867 -10.06393 41.22134 
1 1 1    1   14   38 o   55.668   24.626  -0.7714   7.0054  -8.1780   9.7690   7.0695   10.051   55.204   26.068   79.561   31.946 -24.35648 41.23187 
1 1 1    1   14   39 f  157.971   21.412   35.584   8.5358   44.254   12.241   27.381   11.908  170.664   28.710  128.764   34.852 41.90082 45.15459 
1 1 1    1   14   40 o   76.464   27.755   8.2125   7.0964   12.374   9.7981   3.6215   10.292   89.746   32.607   72.107   30.884 17.63962 44.91164 
1 1 1    1   14   41 o   99.415   26.724   15.491   7.0303   11.587   9.5473   20.116   10.391   86.521   32.063  108.558   33.554 -22.03741 46.41027 
1 1 1    1   14   42 o   65.252   27.643   3.5358   8.0867   16.269   10.942 -11.7876   12.004   96.242   34.528   56.411   27.239 39.83152 43.97868 
1 1 1    1   14   43 o   80.728   34.115   9.2317   12.269   9.2317   12.269   0.0000   0.0000   80.728   34.115  ?   ?  0.000000 34.11514 
1 1 1    1   14   44 o   79.073   34.610   8.4874   13.503   23.050   18.959  -6.5030   19.236   99.145   42.177   71.661   34.572 27.48399 54.53506 
1 1 1    1   14   45 o   68.136   29.728   4.7786   9.8916   15.119   12.056 -16.5200   17.303   87.854   35.089   61.631   30.377 26.22250 46.41076 
1 1 1    1   14   46 o   49.943   23.790  -5.5781   8.4881  -9.5015   11.256  -0.4062   12.924   53.523   25.971   65.040   30.483 -11.51746 40.04575 
1 1 1    1   14   47 o   55.428   24.980   0.9927   7.5709   7.2480   10.904  -4.8297   10.520   70.296   30.927   54.967   26.266 15.32995 40.57582 
1 1 1    1   15    0 o  201.442   13.002   53.087   6.7481   44.824   9.4550   61.665   9.6341  183.650   20.210  216.381   17.334 -32.73065 26.62549 
1 1 1    1   15    1 o  201.825   13.160   53.301   6.8422   50.189   9.7474   56.324   9.6069  194.590   19.605  206.571   18.138 -11.98129 26.70858 
1 1 1    1   15    2 o  262.230   11.119   89.451   7.5524   85.590   10.751   93.212   10.612  255.358   16.339  266.716   15.426 -11.35802 22.47034 
1 1 1    1   15    3 o  497.463   9.8541  321.604   12.698  320.898   18.135  322.283   17.784  496.030   14.115  497.173   13.810 -1.142822 19.74658 
1 1 1    1   15    4 o  151.441   16.908   30.357   6.5195   25.057   9.5642   34.956   8.9103  134.867   28.281  161.572   21.851 -26.70439 35.73875 
1 1 1    1   15    5 o  198.706   13.856   51.705   7.0871   57.255   10.542   47.129   9.5729  208.014   19.805  188.529   19.904 19.48535 28.07806 
1 1 1    1   15    6 o  168.498   16.005   37.386   6.9016   45.285   10.449   31.273   9.1921  184.297   22.344  152.273   24.107 32.02425 32.87004 
1 1 1    1   15    7 o  543.423   11.661  383.900   16.415  378.500   28.676  386.531   20.019  537.470   20.598  544.796   14.186 -7.325806 25.01020 
1 1 1    1   15    8 o  442.722   14.092  255.050   16.160  248.400   23.122  261.400   22.596  435.777   20.484  447.240   19.504 -11.46362 28.28446 
1 1 1    1   15    9 o  154.376   19.545   31.593   7.6406   34.322   9.6464   27.000   12.517  160.133   23.995  139.949   34.700 20.18414 42.18792 
1 1 1    1   15   10 o  455.785   12.323  269.763   14.549  296.300   25.895  257.521   17.588  476.492   20.980  445.012   15.258 31.47998 25.94166 
1 1 1    1   15   11 o  606.934   14.535  478.575   22.851  499.000   32.795  459.300   31.859  618.811   20.460  593.639   20.718 25.17236 29.11774 
1 1 1    1   15   12 o  525.537   10.419  358.210   14.183  361.215   20.527  355.466   19.620  527.336   15.028  523.177   14.478 4.158569 20.86691 
1 1 1    1   15   13 o  1122.25   13.084  1634.52   38.035  1641.31   54.099  1627.89   53.484  1123.41   18.591  1118.84   18.455 4.570435 26.19554 
1 1 1    1   15   14 o  385.131   12.372  192.442   12.343  198.000   23.188  190.244   14.580  389.131   23.108  382.787   14.704 6.343933 27.38984 
1 1 1    1   15   15 o  642.072   11.083  534.678   18.433  479.600   36.898  552.997   21.279  606.631   23.481  652.847   12.583 -46.21600 26.64043 
1 1 1    1   15   16 o  427.189   12.648  236.790   13.995  175.100   30.780  252.868   15.714  363.963   33.007  441.380   13.744 -77.41684 35.75446 
1 1 1    1   15   17 o  734.508   11.487  699.868   21.856  645.300   44.119  717.614   25.160  703.336   24.216  743.586   13.063 -40.24915 27.51475 
1 1 1    1   15   18 o  628.558   12.768  512.805   20.789  431.600   35.155  556.472   25.780  575.145   23.597  654.477   15.207 -79.33173 28.07255 
1 1 1    1   15   19 o  521.009   12.551  352.374   16.938   0.0000   0.0000  352.374   16.938  ?   ?   521.009   12.551 0.000000 12.55064 
1 1 1    1   15   20 o  387.857   13.989  195.442   14.054   0.0000   0.0000  195.442   14.054  ?   ?   387.857   13.989 0.000000 13.98870 
1 1 1    1   15   21 o  363.284   12.246  171.380   11.523   97.500   24.982  191.348   12.988  268.859   36.841  383.794   13.064 -114.9355 39.08828 
1 1 1    1   15   22 f  285.206   14.865  106.093   10.944   88.190   20.900  112.856   12.845  256.462   32.169  293.879   16.946 -37.41614 36.35955 
1 1 1    1   15   23 o  350.265   19.063  160.641   17.231  170.800   25.834  152.500   23.127  359.004   28.002  339.521   26.506 19.48349 38.55807 
1 1 1    1   15   24 o  206.236   17.214   55.876   9.1121   45.720   15.392   61.356   11.306  182.589   33.788  215.572   20.494 -32.98268 39.51779 
1 1 1    1   15   25 o  265.151   15.437   91.995   10.556   84.081   13.313  105.400   17.326  252.436   20.538  281.950   23.950 -29.51410 31.55006 
1 1 1    1   15   26 o  178.600   15.632   41.972   7.1588   45.408   10.073   38.465   10.176  184.594   21.468  169.105   23.897 15.48965 32.12319 
1 1 1    1   15   27 o  162.895   18.416   35.276   7.6342   27.349   11.100   42.391   10.517  139.893   31.402  177.465   23.452 -37.57158 39.19295 
1 1 1    1   15   28 o  182.799   17.974   44.384   8.4008   50.060   12.558   39.787   11.302  191.816   25.941  170.499   26.447 21.31697 37.04546 
1 1 1    1   15   29 o  149.074   20.884   30.057   7.8430   28.498   11.322   31.496   10.875  141.633   31.657  149.965   29.045 -8.332001 42.96199 
1 1 1    1   15   30 o  129.407   22.473   23.027   7.2597   32.046   10.196   13.753   10.339  151.560   26.959  100.734   33.698 50.82676 43.15459 
1 1 1    1   15   31 o  176.780   18.123   41.917   8.1816   52.369   12.486   34.053   10.831  194.848   25.339  155.490   27.916 39.35742 37.70124 
1 1 1    1   15   32 o   67.267   25.296   4.8631   5.9853   10.032   7.8416  -2.3507   9.2642   86.652   29.345   63.020   28.074 23.63181 40.61168 
1 1 1    1   15   33 o   93.442   27.770   12.450   7.2138   5.7713   10.569   18.275   9.8702   81.024   32.679  111.406   32.314 -30.38261 45.95773 
1 1 1    1   15   34 o   56.714   25.974  -4.5446   8.6021   0.5297   17.815  -6.0873   9.8231   88.305   39.157   59.104   27.316 29.20099 47.74339 
1 1 1    1   15   35 o   52.922   24.762  -6.7525   8.4684 -10.7200   11.692  -2.3750   12.282   59.765   28.311   70.967   31.915 -11.20194 42.66245 
1 1 1    1   15   36 o  168.103   17.978   38.765   7.7070   44.118   10.326   32.032   11.580  176.371   23.163  144.446   31.809 31.92459 39.34911 
1 1 1    1   15   37 o   49.987   23.120  -4.3470   7.0559  -4.7268   9.8500  -3.9467   10.112   59.604   27.479   61.444   28.148 -1.840206 39.33741 
1 1 1    1   15   38 o  137.109   22.900   27.238   7.8461   24.720   11.424   29.485   10.794  122.631   34.509  136.943   31.135 -14.31225 46.47903 
1 1 1    1   15   39 o   36.878   18.187 -12.1679   6.2316 -15.4798   9.1223  -9.2702   8.5329   45.603   22.394   49.106   23.517 -3.502953 32.47340 
1 1 1    1   15   40 o   62.519   26.414   2.6698   7.3516   7.1400   10.623  -1.4390   10.184   78.320   32.317   63.427   28.743 14.89267 43.25018 
1 1 1    1   15   41 o   96.542   30.122   15.449   8.3520   20.418   11.831   10.513   11.792  106.058   36.044   84.667   34.388 21.39091 49.81699 
1 1 1    1   15   42 o   65.642   28.691   2.6966   9.2498  -1.2815   11.265   10.930   16.206   64.429   29.587   86.628   37.917 -22.19939 48.09447 
1 1 1    1   15   43 o   61.207   30.238 -20.1500   17.488 -20.1500   17.488   0.0000   0.0000   61.207   30.238  ?   ?  0.000000 30.23751 
1 1 1    1   15   44 o   76.476   32.760   8.5856   11.582   21.760   15.017 -10.7600   18.197   98.089   39.167   66.501   32.436 31.58813 50.85402 
1 1 1    1   15   45 o  147.633   31.462   39.689   11.664   38.412   13.905   42.720   21.425  133.654   38.234  115.930   46.608 17.72337 60.28368 
1 1 1    1   15   46 f   66.044   28.663   5.4292   9.0949   7.0141   13.030   3.9235   12.700   72.197   32.633   68.226   31.362 3.971176 45.25978 
1 1 1    1   15   47 f   88.212   30.881   16.124   8.7068   16.787   12.746   15.544   11.922   83.566   35.014   82.185   34.100 1.381386 48.87553 
1 1 1    1   16    0 o   71.621   25.963   5.6549   6.2068  -5.5665   8.7192   17.183   8.8374   57.468   26.256  111.729   29.933 -54.26073 39.81614 
1 1 1    1   16    1 o  304.109   11.337  120.241   8.9309  101.342   12.518  139.833   12.745  277.922   17.478  327.474   15.025 -49.55234 23.04840 
1 1 1    1   16    2 o  376.985   21.038  187.000   20.462  187.000   20.462   0.0000   0.0000  376.985   21.038  ?   ?  0.000000 21.03828 
1 1 1    1   16    3 f  478.945   11.619  298.216   14.415  306.700   25.312  294.145   17.536  483.869   20.196  475.213   14.246 8.656067 24.71456 
1 1 1    1   16    4 o  252.385   16.826   83.467   10.937   93.700   16.620   75.650   14.526  265.854   24.406  238.797   23.801 27.05682 34.09041 
1 1 1    1   16    5 o  455.074   14.326  269.539   16.887  251.600   23.942  287.300   23.823  438.417   21.082  468.822   19.617 -30.40515 28.79747 
1 1 1    1   16    6 o  366.806   12.154  174.822   11.548  169.836   14.190  184.600   19.873  361.214   15.166  375.263   20.522 -14.04895 25.51822 
1 1 1    1   16    7 o  358.139   12.292  166.607   11.403  165.200   20.800  167.212   13.635  354.661   22.762  358.566   14.680 -3.904816 27.08509 
1 1 1    1   16    8 o  489.685   15.086  311.768   19.136  327.600   27.498  296.900   26.647  501.027   21.188  476.908   21.570 24.11926 30.23572 
1 1 1    1   16    9 o  406.976   12.295  215.001   12.961  217.767   15.843  209.400   22.539  409.366   14.940  400.085   21.831 9.280396 26.45411 
1 1 1    1   16   10 o  462.885   10.804  277.941   12.954  264.018   18.320  291.864   18.320  450.748   15.690  473.998   14.921 -23.25021 21.65228 
1 1 1    1   16   11 o  578.442   15.389  434.645   23.058  434.645   23.058   0.0000   0.0000  578.442   15.389  ?   ?  0.000000 15.38929 
1 1 1    1   16   12 o  1059.02   12.809  1455.41   35.137  1438.98   49.259  1472.43   50.133  1052.00   18.077  1064.13   18.188 -12.13220 25.64316 
1 1 1    1   16   13 o  1052.02   12.889  1436.21   35.125  1413.60   49.306  1459.52   50.049  1042.68   18.256  1059.48   18.237 -16.80298 25.80429 
1 1 1    1   16   14 o  979.221   14.542  1244.99   36.885  1255.00   64.344  1240.09   45.016  980.671   25.330  976.688   17.793 3.982971 30.95489 
1 1 1    1   16   15 o  525.349   11.755  358.053   15.996  368.400   35.163  355.353   17.962  531.222   25.554  523.245   13.253 7.977661 28.78641 
1 1 1    1   16   16 o  603.853   11.251  473.038   17.598  423.300   36.412  488.198   20.102  569.444   24.685  613.319   12.653 -43.87476 27.73943 
1 1 1    1   16   17 o  346.613   12.542  155.943   11.261   91.110   23.934  174.374   12.761  260.427   36.481  366.464   13.444 -106.0370 38.87933 
1 1 1    1   16   18 o  554.347   12.748  398.985   18.306   0.0000   0.0000  398.985   18.306  ?   ?   554.347   12.748 0.000000 12.74829 
1 1 1    1   16   19 o  633.427   12.942  521.103   21.235   0.0000   0.0000  521.103   21.235  ?   ?   633.427   12.942 0.000000 12.94220 
1 1 1    1   16   20 o  434.379   11.715  244.991   13.182  247.300   31.295  244.493   14.534  432.986   28.054  433.818   12.934 -0.8323669 30.89158 
1 1 1    1   16   21 o  475.402   13.502  293.802   16.627  248.100   30.028  314.010   19.967  433.701   26.862  491.161   15.695 -57.45981 31.11047 
1 1 1    1   16   22 o  201.688   26.396   54.385   13.459   40.320   18.369   70.690   19.778  169.809   41.995  228.186   34.542 -58.37659 54.37580 
1 1 1    1   16   23 o  256.540   15.209   86.042   10.061   82.910   22.604   86.816   11.236  246.423   36.518  257.406   16.946 -10.98317 40.25870 
1 1 1    1   16   24 o  269.821   23.265   96.480   16.101   0.0000   0.0000   96.480   16.101  ?   ?   269.821   23.265 0.000000 23.26453 
1 1 1    1   16   25 o  156.943   20.010   32.844   7.9495   34.884   11.332   30.867   11.155  159.682   28.438  149.631   29.827 10.05162 41.21178 
1 1 1    1   16   26 o  190.405   16.297   47.807   7.9604   34.348   11.286   61.134   11.230  157.970   28.635  214.480   20.461 -56.50911 35.19443 
1 1 1    1   16   27 o  434.030   11.302  245.544   12.707  244.237   18.094  246.816   17.848  431.432   16.191  433.810   15.883 -2.377808 22.68099 
1 1 1    1   16   28 o   75.698   26.807   6.8887   6.5751   5.7039   10.449   7.6654   8.4601   82.374   32.740   82.134   30.229 0.2400131 44.56168 
1 1 1    1   16   29 f   80.543   26.583   8.5362   6.4405   11.168   11.028   7.1741   7.9341   95.217   34.594   79.301   29.260 15.91541 45.30889 
1 1 1    1   16   30 o   81.297   26.940   8.7638   6.6121   8.6189   9.6968   8.8898   9.0395   86.347   32.251   85.768   31.296 0.5797348 44.93912 
1 1 1    1   16   31 o  266.686   13.165   93.519   9.0941  105.104   14.234   85.529   11.821  279.461   19.791  252.728   18.179 26.73303 26.87352 
1 1 1    1   16   32 f  184.800   16.715   45.797   7.9149   60.609   12.226   35.112   10.384  209.894   22.857  157.589   26.371 52.30557 34.89842 
1 1 1    1   16   33 o   77.169   33.233   1.8635   12.038   24.200   19.500 -11.8900   15.301  124.856   45.903   69.779   32.850 55.07754 56.44644 
1 1 1    1   16   34 o   80.058   28.543   8.4578   7.4665   18.260   12.122   2.4662   9.4776  109.340   36.489   70.704   29.938 38.63604 47.19822 
1 1 1    1   16   35 o  168.978   20.508   39.765   8.7924   39.833   11.298   39.660   14.000  164.835   27.425  158.887   34.966 5.948685 44.43804 
1 1 1    1   16   36 o   79.882   27.113   9.0739   6.6940   11.575   10.386   7.2967   8.7552   90.193   33.438   77.886   30.264 12.30663 45.09979 
1 1 1    1   16   37 o   86.354   27.179   11.176   6.7830   7.0224   11.125   13.633   8.5574   80.762   33.169   93.972   30.624 -13.21022 45.14441 
1 1 1    1   16   38 o  115.951   23.229   19.829   6.7337   21.284   9.4483   18.326   9.5993  115.170   30.990  106.237   32.140 8.932640 44.64719 
1 1 1    1   16   39 o   50.483   23.590  -5.0540   7.6438 -17.3993   10.774   7.4593   10.847   49.361   24.259   79.419   32.700 -30.05714 40.71553 
1 1 1    1   16   40 o   85.274   30.319   11.516   8.4190   9.3318   11.771   13.802   12.046   82.791   34.074   91.559   35.520 -8.768448 49.22119 
1 1 1    1   16   41 o  116.307   28.894   22.383   8.6662   26.706   10.269   11.690   16.152  124.512   31.745   88.029   38.202 36.48299 49.66985 
1 1 1    1   16   42 f   96.324   36.061   18.056   12.137   18.056   12.137   0.0000   0.0000   96.324   36.061  ?   ?  0.000000 36.06050 
1 1 1    1   16   43 o   63.430   28.190   2.3449   9.2848 -42.8500   20.637   13.814   10.396   56.463   28.573   86.312   33.130 -29.84923 43.74964 
1 1 1    1   16   44 f  178.749   31.076   57.076   13.866   70.150   19.007   42.200   20.274  178.471   41.842  118.705   46.073 59.76660 62.23747 
1 1 1    1   16   45 o   83.968   31.533   13.813   9.2944   15.796   10.503   6.6540   19.957   87.306   33.350   76.601   36.486 10.70415 49.43121 
1 1 1    1   16   46 o   51.782   24.158  -1.8639   7.9641   1.8503   12.001  -4.7864   10.646   63.754   29.714   54.763   26.237 8.990574 39.63945 
1 1 1    1   17    0 o  279.203   25.164  103.100   18.003  103.100   18.003   0.0000   0.0000  279.203   25.164  ?   ?  0.000000 25.16354 
1 1 1    1   17    1 o  293.075   25.161  113.500   18.916  113.500   18.916   0.0000   0.0000  293.075   25.161  ?   ?  0.000000 25.16072 
1 1 1    1   17    2 o  501.349   14.999  327.017   19.478  318.600   27.184  335.900   27.924  493.729   21.255  506.954   21.265 -13.22556 30.06616 
1 1 1    1   17    3 o  477.019   14.924  295.969   18.440  302.800   26.043  289.100   26.115  481.512   20.880  470.388   21.433 11.12369 29.92216 
1 1 1    1   17    4 o  386.094   14.866  193.839   14.868  178.600   20.401  211.100   21.713  369.210   21.424  401.598   20.945 -32.38751 29.96160 
1 1 1    1   17    5 o  738.649   15.477  709.500   29.612  705.700   41.878  713.300   41.878  735.159   21.991  739.140   21.873 -3.980225 31.01688 
1 1 1    1   17    6 o  408.646   12.722  216.824   13.467  218.416   16.638  213.800   22.933  409.877   15.671  404.193   21.987 5.683960 26.99974 
1 1 1    1   17    7 o  500.290   10.573  324.688   13.701  334.900   19.302  314.318   19.451  507.716   14.677  491.804   15.269 15.91156 21.17921 
1 1 1    1   17    8 o  233.225   13.835   70.878   8.3208   66.226   12.464   74.618   11.176  224.384   21.716  238.807   18.204 -14.42296 28.33695 
1 1 1    1   17    9 o  506.844   10.811  333.214   14.193  309.822   19.504  359.548   20.694  488.349   15.418  526.105   15.185 -37.75592 21.64029 
1 1 1    1   17   10 o  733.137   11.316  697.242   21.489  700.114   30.877  694.545   29.925  734.026   16.239  731.165   15.800 2.861450 22.65780 
1 1 1    1   17   11 o  666.526   11.376  576.292   19.641  567.631   27.673  585.085   27.881  660.964   16.163  671.066   16.040 -10.10138 22.77112 
1 1 1    1   17   12 o  411.404   12.598  219.633   13.426  218.839   18.548  220.507   19.458  410.294   17.452  411.784   18.242 -1.489868 25.24615 
1 1 1    1   17   13 o  293.363   16.321  112.176   12.353  108.241   16.622  117.032   18.463  287.320   22.514  298.576   24.077 -11.25562 32.96345 
1 1 1    1   17   14 o  761.854   11.798  753.098   23.283  713.252   31.847  798.842   34.123  740.768   16.597  783.920   16.805 -43.15186 23.61930 
1 1 1    1   17   15 o  267.393   35.213   95.730   23.796   95.730   23.796   0.0000   0.0000  267.393   35.213  ?   ?  0.000000 35.21293 
1 1 1    1   17   16 o  315.198   13.285  129.013   10.847  105.200   25.845  134.104   11.950  280.007   36.502  321.285   14.359 -41.27805 39.22466 
1 1 1    1   17   17 o  190.478   19.271   47.748   9.3776   0.0000   0.0000   47.748   9.3776  ?   ?   190.478   19.271 0.000000 19.27149 
1 1 1    1   17   18 o  527.264   12.656  361.079   17.285   0.0000   0.0000  361.079   17.285  ?   ?   527.264   12.656 0.000000 12.65612 
1 1 1    1   17   19 o  352.277   13.136  161.265   11.987   99.520   24.402  180.900   13.761  271.774   35.513  372.999   14.243 -101.2246 38.26259 
1 1 1    1   17   20 o  200.545   22.426   53.282   11.450   22.630   25.980   60.671   12.756  142.195   52.853  213.958   23.398 -71.76340 57.80005 
1 1 1    1   17   21 o  431.076   17.304  242.392   19.321  225.400   30.901  253.300   24.758  412.054   29.139  439.769   21.734 -27.71490 36.35176 
1 1 1    1   17   22 o  519.484   12.043  350.874   16.206  382.900   36.312  342.909   18.109  538.858   26.015  513.276   13.620 25.58203 29.36503 
1 1 1    1   17   23 o  215.913   21.368   61.795   11.794   0.0000   0.0000   61.795   11.794  ?   ?   215.913   21.368 0.000000 21.36767 
1 1 1    1   17   24 o  291.543   14.921  111.242   11.230  142.600   24.818  103.168   12.593  325.485   29.766  280.196   17.437 45.28897 34.49776 
1 1 1    1   17   25 o  225.624   16.508   67.032   9.5808  115.100   23.623   57.569   10.482  290.415   31.930  208.260   19.662 82.15504 37.49842 
1 1 1    1   17   26 o  324.084   14.563  137.490   12.225  139.000   25.299  137.030   13.963  318.638   31.046  322.568   16.769 -3.929993 35.28588 
1 1 1    1   17   27 o  250.870   14.458   82.799   9.3555   83.691   13.469   81.967   13.005  250.103   20.984  247.696   20.452 2.406937 29.30218 
1 1 1    1   17   28 o   87.376   26.104   10.530   6.3615   14.856   8.7547   5.6907   9.2596  102.749   30.606   78.861   30.986 23.88822 43.55264 
1 1 1    1   17   29 o  207.670   16.336   57.370   8.7165   57.855   13.018   56.976   11.736  205.015   25.033  204.570   22.520 0.4455566 33.67219 
1 1 1    1   17   30 o  196.534   16.661   51.597   8.4020   49.531   12.723   53.194   11.189  188.098   26.876  197.271   22.287 -9.173080 34.91506 
1 1 1    1   17   31 o  176.149   15.650   41.466   7.0663   38.966   10.299   43.690   9.7130  167.066   24.530  178.523   21.433 -11.45779 32.57442 
1 1 1    1   17   32 o  174.259   22.806   42.209   10.047   33.725   11.975   62.380   18.465  150.855   31.655  202.841   36.485 -51.98569 48.30327 
1 1 1    1   17   33 o  186.102   18.793   47.312   8.9353   40.400   18.179   49.513   10.260  155.380   43.464  189.053   21.324 -33.67264 48.41344 
1 1 1    1   17   34 o  206.204   18.714   58.333   9.8868   60.420   15.056   56.750   13.110  201.862   29.680  198.294   26.162 3.567856 39.56425 
1 1 1    1   17   35 o   57.866   24.399   1.5906   6.2526   7.4839   9.7069  -2.5887   8.1743   80.022   31.635   56.967   25.789 23.05500 40.81462 
1 1 1    1   17   36 o   46.340   21.761  -5.5265   6.6412  -8.5006   10.443  -3.5070   8.6055   56.768   26.851   56.740   25.983 0.2797699E-01 37.36440 
1 1 1    1   17   37 o  120.381   22.951   21.278   6.8954   31.439   9.1448   7.8894   10.498  145.294   25.213   80.658   32.555 64.63560 41.17673 
1 1 1    1   17   38 o   98.613   29.857   15.630   8.2818   1.4234   11.750   29.656   11.675   71.343   31.710  132.834   33.836 -61.49113 46.37246 
1 1 1    1   17   39 o   82.025   29.558   10.345   8.0275   11.704   10.844   8.6980   11.940   86.848   33.700   82.008   34.085 4.839897 47.93149 
1 1 1    1   17   40 o  140.641   28.300   31.941   9.9526   33.713   12.469   28.830   16.520  136.996   35.008  115.910   42.306 21.08556 54.91238 
1 1 1    1   17   41 o   66.196   28.991   3.1442   9.4862   1.4026   12.509   5.5010   14.552   69.323   31.585   77.119   34.706 -7.795296 46.92662 
1 1 1    1   17   42 o   84.115   35.251   12.672   12.923   18.900   19.130   7.4450   17.527   92.464   40.809   79.999   36.799 12.46479 54.95013 
1 1 1    1   17   43 o   70.300   29.122   7.1576   8.6746   23.030   12.390  -8.1021   12.149  102.679   36.751   57.012   27.497 45.66744 45.89931 
1 1 1    1   17   44 o   82.945   33.010   13.712   10.635   19.890   13.239   2.4760   17.854   92.539   36.831   72.399   34.492 20.14031 50.45961 
1 1 1    1   17   45 o   60.775   28.170   0.8402   10.559   4.3358   12.911  -6.2210   18.350   67.808   31.331   65.263   31.990 2.544731 44.77706 
1 1 1    1   17   46 o   45.279   22.355 -12.0810   9.5100 -16.5032   11.631  -3.1630   16.517   47.489   23.663   63.180   30.836 -15.69096 38.86865 
1 1 1    1   18    0 o  707.780   10.772  649.960   19.749  669.109   28.425  632.092   27.458  717.485   15.294  697.372   15.200 20.11389 21.56310 
1 1 1    1   18    1 o  638.219   10.585  528.443   17.499  517.693   24.541  539.563   24.959  631.153   15.011  644.355   14.954 -13.20209 21.18802 
1 1 1    1   18    2 o  337.390   11.446  147.718   10.003  150.125   14.169  145.326   14.123  339.804   16.098  334.312   16.309 5.491913 22.91557 
1 1 1    1   18    3 o  407.847   10.905  215.807   11.521  209.761   15.999  222.319   16.604  401.751   15.374  413.590   15.498 -11.83932 21.82988 
1 1 1    1   18    4 o  264.572   13.786   91.147   9.4155   81.496   13.454  100.410   13.181  249.197   21.040  277.165   18.465 -27.96783 27.99368 
1 1 1    1   18    5 o  148.686   20.741   29.349   7.7707   19.429   10.933   39.475   11.046  119.906   33.765  171.986   25.574 -52.08024 42.35735 
1 1 1    1   18    6 o  270.232   13.590   95.050   9.4822  104.546   14.118   87.246   12.799  282.748   19.393  258.196   19.275 24.55200 27.34317 
1 1 1    1   18    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   18    8 o  836.164   11.759  907.136   25.470  914.197   36.629  900.526   35.440  838.629   16.862  832.410   16.436 6.218872 23.54726 
1 1 1    1   18    9 o  994.295   12.606  1283.00   32.467  1274.87   46.101  1291.00   45.731  990.109   17.976  996.411   17.718 -6.302551 25.24011 
1 1 1    1   18   10 o  225.362   18.218   66.482   10.544   31.318   15.741   95.102   14.201  151.253   39.681  269.491   20.496 -118.2382 44.66190 
1 1 1    1   18   11 o  512.166   12.390  340.414   16.437  333.312   24.160  346.534   22.428  506.186   18.426  516.323   16.769 -10.13669 24.91461 
1 1 1    1   18   12 o  931.469   12.352  1126.03   29.802  1120.94   42.501  1130.95   41.800  928.367   17.674  932.583   17.304 -4.215332 24.73445 
1 1 1    1   18   13 o  1038.10   12.925  1399.03   34.754  1375.74   48.628  1423.35   49.690  1028.21   18.258  1045.82   18.342 -17.61719 25.88049 
1 1 1    1   18   14 o  284.086   19.883  105.656   14.539  105.656   14.539   0.0000   0.0000  284.086   19.883  ?   ?  0.000000 19.88259 
1 1 1    1   18   15 o  356.786   13.513  165.357   12.489  150.186   17.517  181.037   17.809  338.845   20.047  372.845   18.440 -34.00079 27.23838 
1 1 1    1   18   16 o  373.402   16.249  181.416   15.716   0.0000   0.0000  181.416   15.716  ?   ?   373.402   16.249 0.000000 16.24856 
1 1 1    1   18   17 o  337.268   16.846  148.117   14.717   0.0000   0.0000  148.117   14.717  ?   ?   337.268   16.846 0.000000 16.84600 
1 1 1    1   18   18 o  440.509   12.470  252.131   14.229  223.500   32.342  259.003   15.845  410.363   30.647  446.323   13.705 -35.95963 33.57209 
1 1 1    1   18   19 o  388.954   15.183  196.968   15.297  204.700   29.099  194.016   17.982  392.862   28.795  385.618   18.003 7.243164 33.95972 
1 1 1    1   18   20 f  181.065   33.939   45.000   15.333   49.030   26.807   43.040   18.693  185.402   53.103  175.143   41.786 10.25946 67.57208 
1 1 1    1   18   21 o  447.532   13.996  260.837   16.225   0.0000   0.0000  260.837   16.225  ?   ?   447.532   13.996 0.000000 13.99639 
1 1 1    1   18   22 o  199.815   25.757   53.624   13.021   0.0000   0.0000   53.624   13.021  ?   ?   199.815   25.757 0.000000 25.75656 
1 1 1    1   18   23 o  157.335   25.318   33.588   9.9681   78.510   24.051   24.271   10.953  236.235   40.778  131.825   32.324 104.4099 52.03555 
1 1 1    1   18   24 o  181.291   19.848   43.787   9.1682   20.870   25.213   47.279   9.8420  134.560   51.607  188.286   20.511 -53.72575 55.53342 
1 1 1    1   18   25 o  227.087   18.306   68.369   10.677   78.840   26.623   66.363   11.655  231.226   46.068  223.087   20.394 8.138367 50.38009 
1 1 1    1   18   26 o  192.766   19.403   49.699   9.5566  116.600   25.488   38.755   10.309  287.839   34.898  168.402   24.338 119.4368 42.54667 
1 1 1    1   18   27 o  176.362   18.514   41.686   8.3314   41.410   21.055   41.737   9.0719  163.402   47.138  175.889   20.284 -12.48647 51.31654 
1 1 1    1   18   28 o  114.702   31.170   19.011   9.5029 -11.6100   23.664   24.899   10.376   91.279   42.261  131.230   31.016 -39.95040 52.42114 
1 1 1    1   18   29 o  254.623   13.948   85.689   9.1645   77.973   12.871   93.623   13.052  239.850   20.927  263.850   19.229 -24.00023 28.42006 
1 1 1    1   18   30 o  222.668   15.235   66.007   8.7345   78.892   13.486   56.695   11.464  240.185   21.917  203.226   22.136 36.95845 31.15027 
1 1 1    1   18   31 o   63.835   27.635   0.2753   8.4115  -8.5645   9.7912   25.180   16.434   56.060   26.356  126.277   42.484 -70.21716 49.99554 
1 1 1    1   18   32 o  102.467   30.868   15.661   8.8683   41.280   21.454   10.381   9.7393  152.880   48.362   88.430   32.451 64.44982 58.24091 
1 1 1    1   18   33 o   95.329   29.521   13.559   8.0386   9.5890   12.554   16.318   10.466   89.730   35.816  103.193   33.878 -13.46332 49.30070 
1 1 1    1   18   34 o   49.011   22.636  -4.0975   6.7272   6.6426   9.2922 -15.9263   9.7518   77.387   30.838   47.976   23.474 29.41101 38.75606 
1 1 1    1   18   35 f  162.150   20.406   37.151   8.3810   24.138   12.223   48.699   11.514  119.868   36.267  182.339   25.039 -62.47179 44.07125 
1 1 1    1   18   36 o  136.681   23.344   27.414   7.9680   34.233   11.225   20.489   11.312  147.441   30.402  110.243   35.144 37.19766 46.46898 
1 1 1    1   18   37 o   50.851   23.755  -5.0550   7.7416  -1.2590   11.174  -8.5591   10.736   66.338   30.080   56.751   26.954 9.586227 40.38977 
1 1 1    1   18   38 o   83.914   28.273   11.032   7.2786   2.5377   9.4423   23.470   11.426   67.074   29.158  115.075   35.122 -48.00083 45.64775 
1 1 1    1   18   39 o   71.345   30.041   5.4096   9.4583   8.3705   12.301   1.1270   14.794   80.448   34.087   74.324   34.047 6.123779 48.17850 
1 1 1    1   18   40 f  113.741   32.287   23.218   9.9553   26.476   12.684   17.990   16.066  115.298   37.262   94.834   39.487 20.46419 54.29250 
1 1 1    1   18   41 o   66.119   28.686   4.1018   9.1023   10.035   10.697 -11.4700   17.329   78.754   32.455   65.083   31.725 13.67093 45.38492 
1 1 1    1   18   42 f   90.962   33.762   16.601   10.594   13.280   21.953   17.609   12.096   84.695   39.705   91.508   35.568 -6.813660 53.30664 
1 1 1    1   18   43 o  131.789   35.616   35.930   12.447   27.980   17.220   44.630   18.013  100.087   41.205  126.320   44.407 -26.23340 60.57874 
1 1 1    1   18   44 o   59.579   26.229   3.2017   7.8539   6.5822   9.9261  -2.4582   12.844   68.092   29.743   61.155   29.168 6.936943 41.65791 
1 1 1    1   18   45 o   80.789   30.042   13.462   8.3957   6.1520   12.645   19.225   11.228   67.868   31.233   89.117   34.371 -21.24836 46.44187 
1 1 1    1   19    0 o  225.388   16.152   66.362   9.3677   90.714   14.157   47.395   12.494  263.049   20.951  188.650   26.282 74.39890 33.61043 
1 1 1    1   19    1 o  552.102   10.815  395.411   15.466  383.392   21.747  407.711   22.000  543.198   15.456  560.196   15.161 -16.99792 21.65060 
1 1 1    1   19    2 o  823.813   11.571  880.567   24.692  897.598   35.690  864.930   34.198  830.952   16.581  815.762   16.184 15.19006 23.17010 
1 1 1    1   19    3 o  756.022   11.304  741.540   22.137  740.355   31.442  742.706   31.173  754.756   16.083  755.979   15.919 -1.223572 22.62895 
1 1 1    1   19    4 o  602.212   11.285  470.498   17.604  462.787   25.222  477.823   24.583  596.705   16.318  606.407   15.650 -9.702209 22.60968 
1 1 1    1   19    5 o  1008.77   12.575  1320.74   32.858  1348.48   47.283  1294.83   45.694  1018.20   17.928  997.803   17.679 20.40070 25.17856 
1 1 1    1   19    6 o  619.122   11.586  497.329   18.580  468.214   26.256  526.536   26.297  600.126   16.890  636.536   15.949 -36.40973 23.23006 
1 1 1    1   19    7 o  684.297   11.742  607.581   20.814  583.003   29.294  632.638   29.578  669.659   16.888  697.664   16.367 -28.00403 23.51796 
1 1 1    1   19    8 o  773.885   12.256  777.229   24.568  755.488   34.482  799.647   35.014  762.193   17.465  784.194   17.237 -22.00073 24.53899 
1 1 1    1   19    9 o  509.477   12.664  336.919   16.713  327.638   24.464  345.041   22.887  501.744   18.824  515.109   17.153 -13.36469 25.46640 
1 1 1    1   19   10 o  888.503   12.395  1024.68   28.527  1055.56   41.633  997.350   39.167  900.737   17.844  875.677   17.267 25.06055 24.83049 
1 1 1    1   19   11 o  329.895   20.705  142.402   17.603  142.402   17.603   0.0000   0.0000  329.895   20.705  ?   ?  0.000000 20.70517 
1 1 1    1   19   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   19   13 o  427.377   11.983  237.128   13.266  232.393   19.099  241.541   18.439  422.522   17.451  430.871   16.521 -8.348663 24.03067 
1 1 1    1   19   14 o   68.813   29.249   0.2197   9.1046 -14.8098   14.114   10.932   11.915   67.207   31.612   99.287   35.976 -32.08022 47.89134 
1 1 1    1   19   15 o  836.573   24.817  917.100   53.778  917.100   53.778   0.0000   0.0000  836.573   24.817  ?   ?  0.000000 24.81700 
1 1 1    1   19   16 o  292.417   21.867  112.444   16.443   0.0000   0.0000  112.444   16.443  ?   ?   292.417   21.867 0.000000 21.86684 
1 1 1    1   19   17 o  557.143   11.786  403.281   17.009  313.200   36.214  428.778   19.266  486.412   28.871  574.300   12.951 -87.88797 31.64313 
1 1 1    1   19   18 o  990.118   18.008  1279.83   46.184  1283.00   67.241  1277.00   63.544  986.917   26.303  985.469   24.893 1.447937 36.21481 
1 1 1    1   19   19 f  599.398   13.206  467.525   20.504  487.100   40.482  460.770   23.780  607.830   25.711  594.538   15.441 13.29211 29.99176 
1 1 1    1   19   20 o  346.368   15.186  156.469   13.625   0.0000   0.0000  156.469   13.625  ?   ?   346.368   15.186 0.000000 15.18631 
1 1 1    1   19   21 o  197.983   23.946   52.471   12.031   18.920   25.537   62.042   13.639  133.850   51.776  215.236   24.925 -81.38557 57.46329 
1 1 1    1   19   22 o  122.813   27.405   20.863   8.4969   46.040   24.041   17.269   9.0832  177.065   50.143  111.603   30.535 65.46188 58.70866 
1 1 1    1   19   23 o  174.060   21.864   40.688   9.6402   64.970   28.453   37.539   10.246  207.204   52.846  166.325   24.518 40.87917 58.25658 
1 1 1    1   19   24 o   98.006   30.705   13.080   8.6683   2.6980   27.205   14.253   9.1450  113.827   49.488  101.861   31.477 11.96578 58.65031 
1 1 1    1   19   25 o  157.642   23.012   33.896   9.1200 -35.0000   26.542   43.119   9.7113   83.280   40.282  178.698   21.406 -95.41874 45.61670 
1 1 1    1   19   26 o  437.376   12.680  250.711   14.366  226.500   33.682  256.095   15.883  401.605   32.660  441.530   13.888 -39.92401 35.49027 
1 1 1    1   19   27 o  213.743   18.314   61.243   10.042   31.540   28.286   65.527   10.741  144.105   54.805  220.878   18.957 -76.77214 57.99108 
1 1 1    1   19   28 o   66.579   26.798   3.4084   7.0919   7.3210   21.235   2.9172   7.5239  104.308   44.511   66.806   27.339 37.50159 52.23623 
1 1 1    1   19   29 o  147.254   23.667   30.320   8.7217   37.430   23.440   29.177   9.3963  149.061   50.735  143.212   26.299 5.848465 57.14568 
1 1 1    1   19   30 o  142.959   39.127   32.310   14.911  -2.4340   23.312   56.370   19.399   95.210   43.278  188.653   40.878 -93.44234 59.53191 
1 1 1    1   19   31 o   80.744   30.889   7.7309   9.0186   9.9140   20.962   7.2350   9.9906  103.021   44.099   81.479   32.131 21.54162 54.56302 
1 1 1    1   19   32 o  210.460   17.129   60.246   9.2570   51.940   15.188   65.154   11.676  184.041   33.076  216.312   21.108 -32.27075 39.23733 
1 1 1    1   19   33 o  129.440   23.803   24.344   7.6866   18.541   9.2105   37.660   13.952  108.959   31.100  152.217   35.958 -43.25806 47.54120 
1 1 1    1   19   34 o  131.320   23.114   25.119   7.5754   22.536   11.501   27.098   10.068  116.419   35.171  131.651   30.169 -15.23202 46.33739 
1 1 1    1   19   35 o  103.793   26.766   16.612   7.2426   19.490   10.619   14.109   9.9034  108.077   34.006   94.172   32.937 13.90571 47.34152 
1 1 1    1   19   36 o  117.994   26.288   21.459   7.8290   20.555   11.810   22.168   10.457  108.449   36.007  114.599   33.266 -6.149620 49.02185 
1 1 1    1   19   37 o  121.727   25.245   22.792   7.6990   27.760   11.149   18.263   10.644  127.188   33.409  102.395   34.192 24.79400 47.80453 
1 1 1    1   19   38 f   94.742   32.353   15.545   9.5320   21.670   12.291   6.3010   15.099  107.081   36.735   80.667   35.896 26.41326 51.36101 
1 1 1    1   19   39 o   65.447   27.626   4.2788   8.0301   5.8417   9.7647   1.0140   14.113   71.440   30.326   71.585   32.963 -0.1445694 44.79082 
1 1 1    1   19   40 o   82.641   32.686   12.044   10.368   15.505   12.674   5.0440   18.024   89.093   35.838   78.197   36.435 10.89593 51.10603 
1 1 1    1   19   41 o   45.121   22.200 -13.0569   9.1062   10.770   21.397 -18.3271   10.063   82.472   38.832   44.324   22.074 38.14783 44.66728 
1 1 1    1   19   42 o  135.138   28.540   32.285   9.6772   42.570   14.054   23.012   13.345  140.092   37.839   98.104   37.564 41.98834 53.31778 
1 1 1    1   19   43 o   48.675   23.508  -7.2126   8.9537   5.2974   12.470 -20.5240   12.864   68.626   31.372   48.959   24.471 19.66660 39.78716 
1 1 1    1   19   44 o   59.881   27.253   2.5925   9.2810   18.290   13.678 -10.8008   12.634   83.992   35.780   53.231   26.182 30.76050 44.33609 
1 1 1    1   19   45 o   67.549   27.603   8.5646   7.6569   8.1870   10.707   8.9599   10.954   67.406   30.093   68.576   30.540 -1.170128 42.87576 
1 1 1    1   20    0 o  381.288   13.455  188.765   13.288  185.705   19.253  191.548   18.364  377.125   19.778  383.662   18.478 -6.536407 27.06685 
1 1 1    1   20    1 o  464.945   12.853  280.623   15.480  277.247   22.565  283.624   21.276  461.527   18.875  466.957   17.590 -5.430237 25.80016 
1 1 1    1   20    2 o  236.423   19.269   73.245   11.698   43.847   16.396  103.726   16.695  179.209   36.559  281.017   23.141 -101.8083 43.26720 
1 1 1    1   20    3 o  552.488   12.489  396.202   17.873  374.930   25.123  418.001   25.433  536.812   18.068  566.913   17.319 -30.10077 25.02796 
1 1 1    1   20    4 o  587.590   12.140  448.098   18.477  464.636   27.475  434.442   24.966  597.629   17.748  578.035   16.674 19.59399 24.35194 
1 1 1    1   20    5 o  611.249   11.945  484.889   18.912  467.997   27.080  500.973   26.424  599.818   17.429  620.740   16.434 -20.92169 23.95495 
1 1 1    1   20    6 o  404.350   12.899  212.269   13.510  204.999   19.666  218.766   18.591  396.789   19.134  410.075   17.502 -13.28534 25.93116 
1 1 1    1   20    7 o  420.141   13.048  229.200   14.200  225.661   20.737  232.324   19.484  416.266   19.232  422.532   17.802 -6.266937 26.20684 
1 1 1    1   20    8 o  424.175   12.455  233.589   13.685  223.801   19.269  243.550   19.438  414.659   17.940  432.638   17.346 -17.97867 24.95395 
1 1 1    1   20    9 o  682.843   11.508  605.183   20.356  600.956   28.941  609.322   28.636  679.703   16.438  684.469   16.151 -4.765564 23.04497 
1 1 1    1   20   10 o  172.303   22.833   39.447   9.9398   33.532   13.794   45.836   14.336  156.333   34.942  184.210   31.155 -27.87682 46.81403 
1 1 1    1   20   11 o  184.570   21.724   45.087   10.187   33.211   14.278   57.401   14.539  155.337   36.161  207.348   27.768 -52.01054 45.59273 
1 1 1    1   20   12 o  583.138   15.683  442.443   23.690   0.0000   0.0000  442.443   23.690  ?   ?   583.138   15.683 0.000000 15.68320 
1 1 1    1   20   13 o   76.878   30.590   4.1508   9.1311  -2.6557   13.026   10.726   12.803   77.540   33.965  100.492   37.152 -22.95188 50.33810 
1 1 1    1   20   14 f  234.747   20.551   72.546   12.370   72.400   20.320   72.632   15.593  231.034   35.054  233.714   26.208 -2.680542 43.76855 
1 1 1    1   20   15 f  737.026   13.532  706.482   25.834  752.900   48.686  688.290   30.478  757.129   24.825  726.822   16.189 30.30695 29.63667 
1 1 1    1   20   16 o  602.772   13.734  472.777   21.444  455.700   37.523  481.059   26.132  588.762   24.604  607.375   16.610 -18.61230 29.68552 
1 1 1    1   20   17 o  401.218   19.074  210.541   19.823  178.000   31.446  232.000   25.537  363.742   33.760  419.454   23.599 -55.71167 41.19081 
1 1 1    1   20   18 o  413.925   12.753  222.977   13.673  207.800   30.397  226.827   15.310  394.266   29.989  417.249   14.165 -22.98288 33.16641 
1 1 1    1   20   19 o  224.449   21.846   66.872   12.540   0.0000   0.0000   66.872   12.540  ?   ?   224.449   21.846 0.000000 21.84603 
1 1 1    1   20   20 o  454.972   14.083  270.087   16.597  217.100   32.098  289.426   19.391  401.126   31.136  470.499   15.910 -69.37317 34.96523 
1 1 1    1   20   21 o  394.762   12.792  203.249   13.080  197.400   31.302  204.486   14.398  380.950   32.018  395.678   14.047 -14.72745 34.96408 
1 1 1    1   20   22 o  311.472   15.064  127.071   12.153  149.800   32.180  123.289   13.125  326.272   38.840  305.999   16.622 20.27261 42.24695 
1 1 1    1   20   23 o  134.943   26.429   25.302   8.9075  -9.4570   28.704   29.006   9.3701  105.111   47.873  144.886   25.919 -39.77517 54.43900 
1 1 1    1   20   24 o  129.458   29.474   23.804   9.6622   23.950   28.097   23.784   10.290  137.159   53.949  128.922   31.159 8.237228 62.30022 
1 1 1    1   20   25 o   80.804   28.603   8.1314   7.4853   50.550   27.731   4.7981   7.7738  174.753   54.948   72.462   28.417 102.2912 61.86116 
1 1 1    1   20   26 o  290.675   15.304  111.974   11.482  115.700   32.376  111.438   12.281  270.908   47.889  289.470   16.446 -18.56158 50.63411 
1 1 1    1   20   27 o  216.891   18.231   63.292   10.147   27.830   29.101   68.200   10.827  136.892   54.566  224.959   18.751 -88.06728 57.69802 
1 1 1    1   20   28 o  111.259   29.932   18.191   8.8149   0.0900   26.501   20.443   9.3471  103.359   46.645  117.722   30.431 -14.36330 55.69329 
1 1 1    1   20   29 f  103.772   36.189   15.676   11.952   15.290   22.294   15.832   14.158  112.502   46.651  105.672   39.068 6.829277 60.84973 
1 1 1    1   20   30 o   95.399   28.710   13.415   7.6747   24.580   16.696   10.424   8.6418  122.663   42.773   86.950   30.738 35.71323 52.67247 
1 1 1    1   20   31 o  142.967   25.537   29.755   9.1100   0.0000   0.0000   29.755   9.1100  ?   ?   142.967   25.537 0.000000 25.53682 
1 1 1    1   20   32 o   96.496   34.723   14.188   11.074  -3.8660   21.834   20.440   12.849   86.712   40.302  111.240   37.565 -24.52776 55.09366 
1 1 1    1   20   33 o  114.087   30.103   20.544   9.0253   18.090   16.308   21.627   10.836  104.734   41.131  114.527   34.036 -9.792877 53.38700 
1 1 1    1   20   34 f   62.492   26.162   2.8338   7.1073   4.1722   10.475   1.6918   9.6753   73.257   31.261   67.234   29.366 6.022682 42.89083 
1 1 1    1   20   35 o  103.007   28.053   16.858   7.6873   3.4736   11.368   28.135   10.435   73.209   31.908  131.230   31.161 -58.02095 44.59966 
1 1 1    1   20   36 o  128.011   25.303   25.216   8.0929   13.502   11.473   36.815   11.417   90.616   34.799  150.404   30.352 -59.78815 46.17535 
1 1 1    1   20   37 o   54.579   25.412  -4.0500   8.7441  -5.3312   11.300  -2.1380   13.805   60.216   28.312   69.007   32.063 -8.790649 42.77401 
1 1 1    1   20   38 f   69.393   28.695   5.8941   8.4005   9.6235   10.588  -0.4416   13.800   79.384   32.452   69.459   32.199 9.925560 45.71569 
1 1 1    1   20   39 o   87.199   30.350   13.620   8.4042   15.399   12.671   12.223   11.230   88.724   35.783   82.926   33.601 5.797699 49.08570 
1 1 1    1   20   40 o   97.225   38.823   22.567   14.755   14.390   22.286   28.950   19.689   85.101   39.930  100.477   42.868 -15.37585 58.58401 
1 1 1    1   20   41 o   65.347   28.118   5.3229   8.6025   6.0075   12.357   4.6791   11.983   70.563   31.847   68.501   31.096 2.062187 44.51043 
1 1 1    1   20   42 o   89.080   34.051   17.822   10.954   17.787   13.882   17.880   17.831   85.529   36.224   83.468   37.906 2.061127 52.43153 
1 1 1    1   20   43 o  113.804   30.165   25.522   9.0358   27.693   12.085   22.769   13.607  105.812   36.419   91.298   36.989 14.51371 51.90892 
1 1 1    1   20   44 o   85.302   30.385   15.997   8.4597   25.450   12.739   8.5380   11.315   94.702   36.587   68.161   30.646 26.54072 47.72560 
1 1 1    1   21    0 o  318.139   14.342  131.515   11.819  126.563   16.900  136.254   16.534  310.798   21.118  322.736   19.874 -11.93851 28.99930 
1 1 1    1   21    1 o  312.070   14.883  126.578   12.031  128.899   17.747  124.604   16.365  313.514   21.993  308.456   20.601 5.057983 30.13403 
1 1 1    1   21    2 o  682.086   11.630  603.868   20.548  611.280   29.643  597.011   28.510  685.471   16.695  677.504   16.245 7.967529 23.29432 
1 1 1    1   21    3 o  400.871   12.620  208.667   13.104  187.597   18.342  230.633   18.728  379.514   18.658  420.980   17.174 -41.46671 25.35883 
1 1 1    1   21    4 o  550.086   16.619  393.692   23.681  393.692   23.681   0.0000   0.0000  550.086   16.619  ?   ?  0.000000 16.61945 
1 1 1    1   21    5 o  828.389   12.023  890.935   25.799  902.242   37.426  880.698   35.612  832.533   17.355  822.685   16.711 9.848389 24.09280 
1 1 1    1   21    6 o  869.249   17.045  983.530   38.379   0.0000   0.0000  983.530   38.379  ?   ?   869.249   17.045 0.000000 17.04514 
1 1 1    1   21    7 o  722.151   16.217  678.593   30.336   0.0000   0.0000  678.593   30.336  ?   ?   722.151   16.217 0.000000 16.21740 
1 1 1    1   21    8 o  832.854   12.059  900.792   26.016  887.030   36.729  914.647   36.854  825.329   17.180  838.132   16.976 -12.80328 24.15245 
1 1 1    1   21    9 o  553.997   17.204  399.764   24.688  399.764   24.688   0.0000   0.0000  553.997   17.204  ?   ?  0.000000 17.20407 
1 1 1    1   21   10 o  238.316   18.347   74.487   11.239   67.999   16.769   79.777   15.143  225.369   29.428  245.611   24.112 -20.24184 38.04502 
1 1 1    1   21   11 o  304.912   14.657  120.961   11.576  108.951   18.281  129.001   14.958  287.137   24.822  313.932   18.475 -26.79437 30.94342 
1 1 1    1   21   12 o  505.232   12.409  331.744   16.239  315.270   24.005  345.645   22.050  491.419   18.858  515.021   16.529 -23.60272 25.07649 
1 1 1    1   21   13 o  336.678   16.676  147.787   14.543   99.690   26.563  168.375   17.379  270.056   39.111  358.571   18.777 -88.51495 43.38475 
1 1 1    1   21   14 o  379.839   17.439  188.323   17.158   0.0000   0.0000  188.323   17.158  ?   ?   379.839   17.439 0.000000 17.43893 
1 1 1    1   21   15 o  333.120   20.006  145.821   17.183  162.000   27.870  135.900   21.825  347.693   31.280  319.770   26.590 27.92264 41.05453 
1 1 1    1   21   16 o  556.964   22.140  407.700   31.942   0.0000   0.0000  407.700   31.942  ?   ?   556.964   22.140 0.000000 22.14005 
1 1 1    1   21   17 o  428.955   19.071  241.180   21.190   0.0000   0.0000  241.180   21.190  ?   ?   428.955   19.071 0.000000 19.07092 
1 1 1    1   21   18 o  321.642   17.177  135.815   14.259   65.240   32.171  153.070   15.907  208.344   57.657  341.280   18.058 -132.9368 60.41893 
1 1 1    1   21   19 o  118.371   28.528   19.477   8.6445   33.480   25.318   17.629   9.1972  154.627   52.727  112.620   30.690 42.00736 61.00835 
1 1 1    1   21   20 f  482.789   12.216  304.012   15.277  271.200   34.787  311.851   17.004  447.156   30.210  488.615   13.435 -41.45901 33.06308 
1 1 1    1   21   21 o  270.400   16.361   96.420   11.406   57.490   31.023  102.504   12.265  190.738   57.796  278.611   17.077 -87.87292 60.26581 
1 1 1    1   21   22 o  551.413   12.218  397.537   17.452  387.600   40.841  399.757   19.303  531.575   29.781  552.381   13.491 -20.80688 32.69393 
1 1 1    1   21   23 o  100.453   29.361   14.223   8.1208   65.910   27.356   9.2277   8.5041  202.851   51.862   85.923   30.480 116.9285 60.15557 
1 1 1    1   21   24 o   73.501   29.921   3.8415   8.9536   22.970   25.530   1.1587   9.5609  130.957   51.452   70.086   29.886 60.87057 59.50189 
1 1 1    1   21   25 o  146.600   25.711   30.248   9.4073   38.800   27.045   29.071   10.034  152.535   54.329  142.588   28.166 9.946915 61.19611 
1 1 1    1   21   26 o  116.874   27.096   19.686   8.0434   19.770   24.764   19.676   8.5045  122.966   49.872  116.378   28.450 6.587929 57.41656 
1 1 1    1   21   27 o   73.162   29.792   4.2406   8.8796   15.940   23.938   2.3740   9.5617  115.870   48.219   71.347   30.132 44.52228 56.85971 
1 1 1    1   21   28 o  103.963   37.348   15.689   12.807 -12.4000   24.255   26.546   15.080   88.036   41.419  128.432   40.538 -40.39618 57.95618 
1 1 1    1   21   29 o  125.024   29.159   23.413   9.2696   14.510   23.401   25.070   10.095  109.980   46.824  128.594   30.727 -18.61331 56.00554 
1 1 1    1   21   30 o  167.899   21.096   39.581   8.9724   0.0000   0.0000   39.581   8.9724  ?   ?   167.899   21.096 0.000000 21.09623 
1 1 1    1   21   31 o  112.998   28.720   19.660   8.4241   25.220   20.864   18.577   9.2080  118.036   46.469  108.579   31.130 9.456337 55.93246 
1 1 1    1   21   32 o  141.790   24.241   29.653   8.5835   42.690   22.185   27.357   9.3084  142.313   49.323  133.564   27.809 8.749741 56.62271 
1 1 1    1   21   33 o   62.703   27.163   1.5606   8.1372   21.030   23.138  -1.1871   8.6924  107.591   46.201   59.694   26.847 47.89639 53.43520 
1 1 1    1   21   34 o   46.326   22.066  -7.1470   7.3008 -11.4100   15.838  -5.9967   8.2270   66.501   31.898   51.163   24.087 15.33804 39.97081 
1 1 1    1   21   35 o   62.386   27.950   0.0353   9.3233  -6.2200   19.700   1.8407   10.583   76.125   36.257   68.104   30.191 8.020462 47.18077 
1 1 1    1   21   36 o  112.378   26.445   20.230   7.5696   19.574   10.048   21.091   11.510  104.607   33.098  106.173   35.555 -1.565735 48.57618 
1 1 1    1   21   37 o   46.605   22.580  -9.7796   8.4277  -3.2087   11.004 -19.1000   13.106   60.774   28.367   52.881   26.134 7.892502 38.57069 
1 1 1    1   21   38 o   47.015   22.598  -7.5444   8.0396   4.7421   11.928 -17.7734   10.883   71.074   31.745   47.337   23.470 23.73693 39.47850 
1 1 1    1   21   39 o   55.357   27.250 -14.6982   13.781  -7.9590   20.801 -19.9700   18.397   69.485   34.059   60.472   30.071 9.012817 45.43415 
1 1 1    1   21   40 o   61.762   27.123   3.6558   8.3540  -5.6113   13.187   9.8686   10.797   59.678   28.748   74.905   31.846 -15.22742 42.90251 
1 1 1    1   21   41 o   54.234   25.663  -2.9888   9.5592   2.9200   12.467 -11.4200   14.892   65.445   30.429   57.481   28.302 7.964729 41.55616 
1 1 1    1   21   42 o   59.712   26.840   3.2395   8.6722   1.6026   11.744   5.2026   12.861   61.877   29.019   66.813   31.012 -4.936222 42.47113 
1 1 1    1   21   43 o   52.742   24.927  -1.5526   8.9687   1.9889   13.083  -4.6929   12.319   62.071   29.559   55.633   27.035 6.437836 40.05715 
1 1 1    1   21   44 o   45.345   21.910  -4.9715   7.8008  -3.9677   10.747  -6.0892   11.340   52.283   25.371   51.596   25.260 0.6869087 35.80140 
1 1 1    1   22    0 o  422.668   12.512  232.071   13.699  246.894   20.624  220.369   18.325  435.216   18.294  411.326   17.199 23.89056 25.10973 
1 1 1    1   22    1 o  335.761   13.410  146.515   11.663  133.151   17.205  157.880   15.866  318.620   20.963  347.658   17.676 -29.03842 27.42059 
1 1 1    1   22    2 o  286.193   14.959  106.828   11.051   92.289   15.187  123.190   16.111  264.747   22.354  306.513   20.409 -41.76599 30.26927 
1 1 1    1   22    3 o  220.337   19.232   63.804   10.866   73.642   15.610   54.555   15.136  235.519   26.022  201.408   29.921 34.11115 39.65380 
1 1 1    1   22    4 o  274.069   16.529   98.163   11.679   97.647   17.485   98.578   15.694  271.763   25.123  273.646   22.335 -1.883575 33.61607 
1 1 1    1   22    5 o  356.166   13.901  164.942   12.825  149.938   19.454  176.474   17.055  337.814   22.358  367.933   17.895 -30.11847 28.63799 
1 1 1    1   22    6 o  484.220   17.183  305.548   21.552   0.0000   0.0000  305.548   21.552  ?   ?   484.220   17.183 0.000000 17.18284 
1 1 1    1   22    7 o  997.218   18.499  1297.47   47.786  1297.47   47.786   0.0000   0.0000  997.218   18.499  ?   ?  0.000000 18.49936 
1 1 1    1   22    8 o  770.426   12.140  771.283   24.227  738.349   34.003  805.238   34.526  752.482   17.445  785.974   16.959 -33.49176 24.32945 
1 1 1    1   22    9 o  315.946   15.223  129.985   12.459  145.356   19.295  118.996   16.315  332.300   22.550  300.842   21.070 31.45795 30.86179 
1 1 1    1   22   10 o  635.315   11.822  524.547   19.455  542.849   29.256  510.037   26.049  644.990   17.511  625.560   16.076 19.42975 23.77104 
1 1 1    1   22   11 o  610.692   12.251  484.895   19.380  454.267   28.011  513.017   26.841  589.677   18.339  627.159   16.522 -37.48114 24.68400 
1 1 1    1   22   12 o  361.088   20.639  171.383   19.224   0.0000   0.0000  171.383   19.224  ?   ?   361.088   20.639 0.000000 20.63937 
1 1 1    1   22   13 o  184.914   45.918   48.760   21.893   0.0000   0.0000   48.760   21.893  ?   ?   184.914   45.918 0.000000 45.91768 
1 1 1    1   22   14 o  182.436   30.266   45.421   13.801   36.742   17.998   57.810   21.503  160.992   42.525  202.275   42.396 -41.28307 60.04775 
1 1 1    1   22   15 o  293.957   18.588  113.675   14.081  133.300   24.751  104.284   17.121  314.393   30.788  280.093   23.825 34.29956 38.92952 
1 1 1    1   22   16 o  244.639   29.892   81.170   18.548   99.560   27.239   65.270   25.328  266.586   40.739  212.154   47.296 54.43207 62.42218 
1 1 1    1   22   17 o  282.402   18.761  105.247   13.646  105.727   21.646  104.931   17.579  278.903   30.457  280.168   24.469 -1.264191 39.06843 
1 1 1    1   22   18 o  343.169   18.233  155.317   16.149  148.600   29.932  158.076   19.180  327.386   35.884  344.983   21.572 -17.59625 41.86906 
1 1 1    1   22   19 o  124.480   28.150   21.681   8.8641   10.540   28.204   22.902   9.3373  123.903   52.008  127.813   28.883 -3.910278 59.49007 
1 1 1    1   22   20 f  441.352   12.518  254.707   14.311  226.200   36.321  259.946   15.571  401.696   35.264  445.526   13.492 -43.82996 37.75697 
1 1 1    1   22   21 o  376.167   12.978  185.432   12.645  203.800   32.765  182.218   13.707  380.787   33.562  372.461   14.208 8.326172 36.44505 
1 1 1    1   22   22 o  106.097   30.064   16.094   8.6395   27.830   24.273   14.392   9.2449  137.758   51.110  101.124   31.715 36.63419 60.14999 
1 1 1    1   22   23 o  134.667   24.560   25.410   8.2515   33.180   25.345   24.489   8.7270  144.492   52.452  131.373   26.558 13.11955 58.79220 
1 1 1    1   22   24 o   76.748   30.392   5.5522   8.9734 -18.0700   27.554   8.3549   9.4908   92.304   43.645   84.412   31.831 7.892265 54.01978 
1 1 1    1   22   25 o  174.368   22.256   42.054   9.8229   67.930   27.466   38.259   10.519  197.067   52.758  164.615   25.492 32.45253 58.59438 
1 1 1    1   22   26 o  230.945   16.346   71.614   9.7154   79.310   26.957   70.466   10.415  215.289   49.388  228.360   17.747 -13.07031 52.48017 
1 1 1    1   22   27 o  222.199   22.336   68.736   12.682   85.210   24.942   62.993   14.728  227.245   43.962  208.666   27.950 18.57901 52.09494 
1 1 1    1   22   28 o  177.674   22.901   44.621   10.295   42.880   20.290   45.224   11.946  154.385   46.732  176.117   27.052 -21.73189 53.99699 
1 1 1    1   22   29 o  290.670   16.626  114.838   12.466   0.0000   0.0000  114.838   12.466  ?   ?   290.670   16.626 0.000000 16.62599 
1 1 1    1   22   30 o  117.580   33.170   22.438   10.541   0.0000   0.0000   22.438   10.541  ?   ?   117.580   33.170 0.000000 33.17049 
1 1 1    1   22   31 o   92.375   27.525   13.212   7.0802   14.020   22.831   13.126   7.4473  101.151   44.615   91.848   28.409 9.303116 52.89262 
1 1 1    1   22   32 o   57.368   25.062   0.6054   7.0496   5.5450   22.083   0.0449   7.4388   90.527   41.517   57.595   25.432 32.93229 48.68739 
1 1 1    1   22   33 o   68.759   28.220   5.0235   8.0458   2.9330   20.284   5.4138   8.7648   84.908   39.246   70.998   29.330 13.91074 48.99540 
1 1 1    1   22   34 o   46.432   22.062  -6.4419   7.2080  -7.2460   20.476  -6.3282   7.7010   75.979   36.398   48.415   22.946 27.56388 43.02717 
1 1 1    1   22   35 o   58.189   26.117  -0.1282   8.1798   7.6850   18.254  -2.0914   9.1499   84.154   38.270   58.022   26.652 26.13221 46.63562 
1 1 1    1   22   36 o   64.299   27.673   3.5939   8.3360  -9.0910   19.918   6.2874   9.1784   71.069   34.499   70.896   29.709 0.1724548 45.52793 
1 1 1    1   22   37 o   64.659   28.621   3.1349   9.4780 -19.3900   20.492   9.2647   10.690   64.743   32.117   76.557   32.071 -11.81410 45.38783 
1 1 1    1   22   38 o   82.684   35.715   13.755   13.987   24.390   20.460   4.4240   19.165   93.003   41.555   75.323   35.844 17.67996 54.87765 
1 1 1    1   22   39 o   47.717   23.186  -8.7394   9.0563 -14.4600   20.940  -7.4232   10.044   64.427   32.045   51.466   24.866 12.96158 40.56139 
1 1 1    1   22   40 o  162.112   25.523   45.101   10.363   66.940   18.919   35.739   12.387  157.236   44.465  126.245   36.077 30.99112 57.25981 
1 1 1    1   22   41 o  109.891   33.799   27.122   10.558   21.056   13.689   36.030   16.588   87.183   36.387  104.660   41.361 -17.47633 55.08863 
1 1 1    1   22   42 o   56.152   25.621   2.2092   8.2692   8.0445   11.024  -5.2970   12.504   66.995   30.173   55.253   26.936 11.74282 40.44725 
1 1 1    1   22   43 o   54.272   25.141   1.6687   8.3919   0.9680   11.473   2.4749   12.307   57.461   27.451   59.629   28.471 -2.168217 39.54892 
1 1 1    1   23    0 o  690.931   11.697  620.267   20.934  604.087   29.570  636.523   29.639  680.713   16.770  698.856   16.373 -18.14307 23.43752 
1 1 1    1   23    1 o  374.418   13.738  182.370   13.323  182.697   19.283  182.071   18.430  373.311   20.014  372.859   19.147 0.4514771 27.69799 
1 1 1    1   23    2 o  409.687   18.584  219.159   19.722   0.0000   0.0000  219.159   19.722  ?   ?   409.687   18.584 0.000000 18.58448 
1 1 1    1   23    3 o  337.862   14.872  148.626   13.016  130.251   18.741  165.749   18.090  314.284   23.184  355.552   19.720 -41.26791 30.43630 
1 1 1    1   23    4 o  420.669   13.329  230.186   14.525  224.077   20.992  235.798   20.117  414.017   19.575  424.960   18.276 -10.94281 26.77994 
1 1 1    1   23    5 o  346.853   14.474  156.630   13.004  136.964   19.333  172.882   17.575  322.209   23.321  363.296   18.740 -41.08786 29.91730 
1 1 1    1   23    6 o  421.040   13.195  230.624   14.391  249.579   21.928  216.282   19.073  436.880   19.377  406.943   18.094 29.93716 26.51148 
1 1 1    1   23    7 o  236.390   19.804   73.621   12.015   85.230   18.181   64.622   16.008  252.389   28.298  219.197   28.899 33.19179 40.44620 
1 1 1    1   23    8 o  264.330   18.760   91.816   12.762   68.576   18.795  111.695   17.383  224.485   33.335  290.612   23.288 -66.12759 40.66341 
1 1 1    1   23    9 o  331.568   18.306  144.187   15.662  143.600   29.020  144.428   18.604  325.624   34.952  330.981   21.822 -5.357880 41.20507 
1 1 1    1   23   10 o  408.293   20.327  218.607   21.498  207.800   32.739  226.800   28.505  393.132   32.440  413.196   26.777 -20.06396 42.06345 
1 1 1    1   23   11 o  260.211   26.022   90.423   17.304   47.290   24.902  130.700   24.063  180.830   50.971  311.833   30.168 -131.0030 59.22983 
1 1 1    1   23   12 o  218.258   23.468   63.534   13.059   47.570   20.926   73.718   16.713  182.139   44.689  233.893   28.151 -51.75421 52.81697 
1 1 1    1   23   13 o  425.935   18.306  237.852   20.197  244.700   29.753  232.000   27.505  428.221   26.961  417.544   25.554 10.67700 37.14674 
1 1 1    1   23   14 o  387.827   18.058  197.331   18.141  184.542   22.635  220.300   30.334  372.682   23.569  404.707   29.131 -32.02493 37.47091 
1 1 1    1   23   15 o  254.679   18.959   85.769   12.417   92.267   19.237   81.126   16.259  260.759   28.970  245.448   25.967 15.31042 38.90373 
1 1 1    1   23   16 o  256.005   18.453   86.698   12.154   88.653   18.603   85.243   16.055  255.231   28.633  251.676   24.956 3.555481 37.98206 
1 1 1    1   23   17 f  364.471   15.298  174.219   14.443  188.165   22.156  163.913   19.046  375.248   22.904  350.998   21.045 24.25003 31.10462 
1 1 1    1   23   18 o  179.787   24.425   44.089   11.080   50.554   17.390   39.670   14.377  187.155   37.181  166.454   34.478 20.70135 50.70715 
1 1 1    1   23   19 o  389.766   13.291  199.179   13.419  224.100   34.769  194.818   14.545  399.143   33.952  384.997   14.585 14.14575 36.95197 
1 1 1    1   23   20 o  160.162   24.030   35.385   9.6617   8.0500   23.957   40.695   10.558  111.040   47.328  171.806   24.412 -60.76626 53.25311 
1 1 1    1   23   21 o   91.886   31.347   11.376   8.9485   49.090   28.087   7.1148   9.4404  169.503   55.492   81.839   31.530 87.66372 63.82444 
1 1 1    1   23   22 o  164.262   23.207   37.392   9.5995   8.6010   28.745   41.006   10.184  115.368   50.497  172.015   23.469 -56.64702 55.68447 
1 1 1    1   23   23 o  148.469   23.506   30.844   8.7390   27.840   27.892   31.172   9.2024  134.277   53.453  148.693   24.763 -14.41635 58.91032 
1 1 1    1   23   24 o   94.366   30.622   12.786   8.5596   21.640   25.699   11.681   9.0779  123.669   50.558   91.608   31.563 32.06128 59.60094 
1 1 1    1   23   25 o  116.861   30.297   20.481   9.2475 -12.8000   24.896   25.807   9.9601   88.626   41.778  131.609   29.897 -42.98347 51.37303 
1 1 1    1   23   26 o  182.561   30.227   49.566   13.794   40.510   25.032   53.516   16.530  145.935   52.237  185.281   35.737 -39.34569 63.29180 
1 1 1    1   23   27 o   75.132   29.730   6.1264   8.5808   7.6700   23.444   5.8876   9.2207  100.669   44.765   75.959   30.563 24.70999 54.20331 
1 1 1    1   23   28 o   92.536   32.604   12.910   9.7152   0.0000   0.0000   12.910   9.7152  ?   ?    92.536   32.604 0.000000 32.60449 
1 1 1    1   23   29 o   97.559   33.942   15.234   10.511   9.8420   25.119   16.378   11.572   99.905   45.219  100.296   35.558 -0.3912354 57.52503 
1 1 1    1   23   30 o   40.080   19.693 -12.5846   7.0889 -47.7600   20.251  -7.6725   7.5677   57.788   29.129   47.000   22.409 10.78732 36.75109 
1 1 1    1   23   31 o  136.342   21.820   27.288   7.4463   19.710   16.869   29.122   8.2985  103.280   41.416  139.412   23.836 -36.13223 47.78513 
1 1 1    1   23   32 o   66.436   26.880   4.9319   7.1756   3.6620   22.306   5.0785   7.5784   86.674   40.434   67.609   27.526 19.06579 48.91381 
1 1 1    1   23   33 o   52.623   23.941  -1.7596   7.1532  -3.0960   20.508  -1.5745   7.6326   78.217   37.179   54.515   24.774 23.70189 44.67674 
1 1 1    1   23   34 o   77.820   29.562   9.5135   8.2244 -15.5500   16.533   17.755   9.4807   62.619   30.623   99.372   32.226 -36.75298 44.45549 
1 1 1    1   23   35 o  121.929   30.862   26.340   9.7558   19.560   20.780   28.257   11.049   93.739   41.881  122.782   33.713 -29.04343 53.76438 
1 1 1    1   23   36 o   95.759   31.577   17.429   9.0882   2.1850   21.061   20.917   10.074   76.656   36.773  103.151   33.195 -26.49561 49.53961 
1 1 1    1   23   37 o   51.344   24.924  -9.1069   10.396  -3.3410   19.175 -11.5074   12.373   69.456   33.747   54.035   26.440 15.42086 42.87048 
1 1 1    1   23   38 o   67.501   29.929   6.0119   10.406 -15.3800   21.667   12.425   11.864   64.206   32.041   78.134   33.304 -13.92831 46.21443 
1 1 1    1   23   39 o   51.610   24.238  -2.1566   8.2438   0.0000   0.0000  -2.1566   8.2438  ?   ?    51.610   24.238 0.000000 24.23836 
1 1 1    1   23   40 o   49.709   24.319  -8.7098   10.454   4.4070   22.381 -12.3700   11.823   70.032   34.523   50.000   24.731 20.03210 42.46731 
1 1 1    1   23   41 o   52.200   25.199  -4.1215   10.258  -8.6380   21.106  -2.7247   11.738   61.706   30.916   55.808   26.945 5.897774 41.01020 
1 1 1    1   23   42 o   39.192   19.497 -11.8815   7.7688 -12.0922   10.273 -11.6000   11.873   45.241   22.493   48.585   24.160 -3.344086 33.00935 
1 1 1    1   24    0 o  416.511   13.374  225.854   14.430  228.398   20.747  223.469   20.083  417.711   19.174  413.273   18.760 4.437866 26.82525 
1 1 1    1   24    1 o  448.871   18.783  263.641   21.840  263.641   21.840   0.0000   0.0000  448.871   18.783  ?   ?  0.000000 18.78333 
1 1 1    1   24    2 o  470.544   12.951  288.176   15.785  271.674   22.586  303.929   22.069  455.552   19.141  482.217   17.668 -26.66467 26.04855 
1 1 1    1   24    3 o  387.189   15.830  195.611   15.876  186.600   27.524  200.104   19.435  374.022   28.627  390.930   19.193 -16.90805 34.46592 
1 1 1    1   24    4 o  282.830   19.094  105.210   13.907  125.100   24.580   95.845   16.865  304.721   31.600  268.540   24.516 36.18085 39.99482 
1 1 1    1   24    5 o  249.769   20.108   82.320   12.899   52.610   21.748   98.445   16.022  192.193   44.553  272.572   22.905 -80.37839 50.09618 
1 1 1    1   24    6 o  226.105   25.132   68.324   14.470   90.110   21.888   51.410   19.286  257.217   33.659  191.142   40.226 66.07465 52.45070 
1 1 1    1   24    7 o  138.937   36.417   27.038   13.265   29.210   20.804   25.550   17.220  146.011   47.757  136.537   43.342 9.473877 64.49271 
1 1 1    1   24    8 o   75.211   32.599  -0.9934   11.733   6.1302   15.525 -10.4800   17.916   96.943   39.425   82.124   37.565 14.81898 54.45601 
1 1 1    1   24    9 o   49.315   24.272 -22.4837   10.919 -37.4700   19.875 -16.0043   13.068   67.701   33.206   62.025   29.538 5.676037 44.44282 
1 1 1    1   24   10 o  323.069   21.516  138.141   17.902  155.500   27.158  124.800   23.808  338.953   31.284  303.632   30.692 35.32080 43.82582 
1 1 1    1   24   11 o  212.543   33.624   62.456   17.896   34.710   25.696   88.590   24.938  157.042   53.121  251.187   39.643 -94.14529 66.28288 
1 1 1    1   24   12 o  113.498   38.570   16.886   13.547   13.153   17.486   22.490   21.425  111.765   42.951  132.889   48.227 -21.12383 64.58023 
1 1 1    1   24   13 o  126.729   34.361   22.701   11.563   3.2047   17.633   37.411   15.317   96.442   40.835  161.795   37.309 -65.35323 55.31250 
1 1 1    1   24   14 o  412.577   13.754  222.618   14.699  232.593   20.756  212.582   20.820  419.841   19.086  400.993   20.044 18.84805 27.67743 
1 1 1    1   24   15 o  142.872   33.918   29.188   12.365   34.276   18.528   25.103   16.603  152.106   44.318  132.494   42.612 19.61139 61.48063 
1 1 1    1   24   16 o  144.867   30.275   29.694   10.995   5.2244   17.540   45.531   14.111   97.662   41.005  179.753   31.451 -82.09104 51.67767 
1 1 1    1   24   17 o  443.627   13.438  258.189   15.442  265.944   22.923  251.746   20.893  446.911   19.802  435.565   18.519 11.34616 27.11167 
1 1 1    1   24   18 o  184.677   25.672   47.232   11.948   48.992   17.566   45.716   16.300  181.330   38.584  175.931   36.944 5.398331 53.41859 
1 1 1    1   24   19 o  214.040   25.072   63.363   13.637   53.960   29.372   65.947   15.398  176.235   56.677  216.717   28.090 -40.48222 63.25579 
1 1 1    1   24   20 o  113.739   30.288   18.920   9.0825   19.070   28.733   18.904   9.5734  125.997   52.664  113.425   31.475 12.57237 61.35269 
1 1 1    1   24   21 o   87.264   31.614   9.8486   9.2005   6.2610   26.276   10.350   9.8224  108.585   47.880   89.441   32.625 19.14429 57.93878 
1 1 1    1   24   22 o  102.756   30.353   15.561   8.6382   39.050   21.154   10.860   9.4632  150.969   48.051   89.837   32.122 61.13169 57.79918 
1 1 1    1   24   23 o   91.688   30.555   12.033   8.5013  -1.2300   21.266   14.556   9.2746   91.852   41.588   99.306   31.839 -7.454124 52.37608 
1 1 1    1   24   24 o   87.022   30.588   10.550   8.5463  -2.3090   21.540   12.952   9.3105   90.306   41.262   94.254   31.975 -3.947861 52.20153 
1 1 1    1   24   25 o   92.032   37.710   9.6447   14.338 -26.4300   21.048   40.880   19.585   71.248   34.781  150.630   45.984 -79.38212 57.65598 
1 1 1    1   24   26 o   67.625   27.138   4.4315   7.2492   12.920   20.058   3.1563   7.7747  101.771   43.340   66.119   27.494 35.65192 51.32532 
1 1 1    1   24   27 o   86.803   31.334   11.089   9.0266   0.0000   0.0000   11.089   9.0266  ?   ?    86.803   31.334 0.000000 31.33415 
1 1 1    1   24   28 o   75.373   30.569   6.4518   9.3042 -18.6200   19.144   14.205   10.646   69.318   33.689   94.284   34.030 -24.96572 47.88489 
1 1 1    1   24   29 o   68.104   28.665   3.9314   8.6061 -18.4600   20.590   8.6714   9.4733   71.031   34.614   79.624   31.324 -8.593201 46.68325 
1 1 1    1   24   30 o   72.939   29.040   6.8058   8.2333   9.5930   21.736   6.3389   8.8962   91.696   41.723   72.964   29.778 18.73213 51.25961 
1 1 1    1   24   31 o   44.885   21.311  -6.0283   6.7000 -16.0600   21.816  -4.9836   7.0403   72.257   35.303   47.579   22.363 24.67771 41.78984 
1 1 1    1   24   32 o  102.427   28.077   17.427   7.6712   13.540   20.001   18.097   8.3064   91.094   40.866  103.162   29.563 -12.06776 50.43861 
1 1 1    1   24   33 o   69.282   28.242   6.2527   7.9906   10.180   18.778   5.3843   8.8299   85.138   38.755   68.761   28.993 16.37702 48.39988 
1 1 1    1   24   34 o   49.881   24.011  -8.2158   9.1571  -4.6710   20.127  -9.1411   10.283   72.665   35.131   52.205   25.209 20.46010 43.23968 
1 1 1    1   24   35 o  120.040   31.869   27.198   10.075   40.980   21.482   23.311   11.407  112.550   46.142  104.881   35.395 7.669319 58.15394 
1 1 1    1   24   36 o   79.991   33.000   12.789   11.073   22.280   19.613   8.3483   13.416   88.834   40.105   73.795   33.256 15.03866 52.09970 
1 1 1    1   24   37 o   50.629   24.586  -7.9735   10.143   18.060   21.823 -15.1473   11.456   81.385   38.588   48.504   24.053 32.88123 45.47102 
1 1 1    1   24   38 o   63.822   27.799   5.8697   8.6161 -15.9600   17.715   12.633   9.8610   57.712   28.827   76.815   31.350 -19.10267 42.58925 
1 1 1    1   24   39 o   54.980   25.598   0.3572   8.8715 -35.2200   23.809   6.0931   9.5599   56.705   28.894   63.884   28.485 -7.179043 40.57401 
1 1 1    1   24   40 o   53.048   24.631   0.6466   8.1223   6.6190   16.364  -1.3059   9.3563   66.267   31.949   52.948   25.152 13.31954 40.66100 
1 1 1    1   24   41 o   57.084   26.210   3.7745   8.8370   3.5910   22.913   3.8066   9.5780   64.047   32.107   57.842   26.818 6.204849 41.83388 
1 1 1    1   25    0 o  732.168   17.575  702.157   33.332  707.000   49.046  698.000   45.439  729.885   25.942  726.393   24.149 3.492493 35.44233 
1 1 1    1   25    1 o  128.378   42.384   22.171   16.372  -4.4060   26.106   39.400   21.020  107.219   47.479  165.301   46.912 -58.08183 66.74583 
1 1 1    1   25    2 o  492.495   18.432  318.099   23.514  355.600   36.266  290.900   30.886  516.284   27.214  467.630   25.595 48.65341 37.35950 
1 1 1    1   25    3 o  458.778   15.784  275.156   18.757  264.600   33.374  280.030   22.677  444.071   29.176  461.875   18.954 -17.80450 34.79235 
1 1 1    1   25    4 o  112.263   42.492   13.643   16.953   35.810   24.794  -5.8220   23.233  158.948   52.143   99.555   44.396 59.39288 68.48283 
1 1 1    1   25    5 o  118.326   42.376   17.317   16.475   1.8920   23.812   31.480   22.817  108.732   46.784  150.255   50.057 -41.52375 68.51601 
1 1 1    1   25    6 o  201.883   31.293   56.005   15.835   48.890   22.450   63.050   22.338  182.836   47.109  209.886   42.545 -27.05025 63.47719 
1 1 1    1   25    7 o  324.221   29.070  142.000   24.154   0.0000   0.0000  142.000   24.154  ?   ?   324.221   29.070 0.000000 29.06978 
1 1 1    1   25    8 o  338.807   18.642  151.393   16.297  110.007   19.323  253.400   30.336  285.965   26.383  434.562   27.084 -148.5975 37.81036 
1 1 1    1   25    9 o  479.385   15.575  301.009   19.340  350.500   35.357  279.879   23.103  511.086   26.800  460.852   19.353 50.23410 33.05766 
1 1 1    1   25   10 o   76.921   32.962   0.4945   11.734 -14.1800   24.172   5.0186   13.421   93.106   42.968   89.069   36.489 4.036972 56.37053 
1 1 1    1   25   11 o  154.130   30.734   33.302   11.840   41.723   17.192   25.704   16.329  169.448   39.839  134.128   42.164 35.32019 58.00758 
1 1 1    1   25   12 o  117.436   33.231   19.551   10.563  -0.4394   14.881   39.858   14.998   84.046   36.570  166.657   35.809 -82.61131 51.18281 
1 1 1    1   25   13 o  169.159   28.964   39.923   12.235   40.467   18.742   39.519   16.151  164.297   43.394  164.260   38.611 0.3750610E-01 58.08452 
1 1 1    1   25   14 o  174.729   26.331   42.210   11.548   56.787   17.778   31.570   15.188  198.406   35.914  145.887   39.306 52.51955 53.24248 
1 1 1    1   25   15 o  153.250   30.455   33.508   11.664   33.391   16.127   33.636   16.889  148.719   40.686  148.802   41.989 -0.8271790E-01 58.46759 
1 1 1    1   25   16 o  264.010   19.061   93.478   12.948   95.141   19.718   92.217   17.167  260.148   29.799  258.487   25.991 1.660400 39.54153 
1 1 1    1   25   17 o  206.877   23.198   58.815   12.217   54.909   18.215   62.008   16.471  190.994   38.153  207.644   31.622 -16.64975 49.55424 
1 1 1    1   25   18 o  236.491   21.567   76.416   13.067   72.429   19.901   79.436   17.323  220.454   36.101  236.462   28.883 -16.00835 46.23320 
1 1 1    1   25   19 o  160.859   29.162   37.516   11.704   42.802   16.007   31.443   17.156  166.318   37.988  139.520   43.113 26.79738 57.46188 
1 1 1    1   25   20 o  110.860   28.267   18.077   8.1422   38.310   25.877   15.854   8.5779  146.327   53.018  103.545   30.150 42.78197 60.99115 
1 1 1    1   25   21 o  120.293   29.744   21.624   9.2161   30.680   27.516   20.480   9.7811  133.572   53.117  116.270   31.634 17.30228 61.82385 
1 1 1    1   25   22 o   68.927   28.064   3.9333   7.8780 -38.7300   26.011   8.2422   8.2663   75.369   37.166   80.376   29.825 -5.007362 47.65365 
1 1 1    1   25   23 o  165.547   32.249   42.024   13.332   47.000   25.882   40.226   15.554  153.163   53.264  156.561   38.599 -3.397659 65.77905 
1 1 1    1   25   24 o   98.612   37.290   14.503   13.048   5.5970   23.056   18.700   15.826   97.161   43.709  107.994   41.013 -10.83351 59.93742 
1 1 1    1   25   25 o   84.281   28.434   10.504   7.3617   30.050   22.492   8.1588   7.7908  123.887   48.404   77.879   28.943 46.00762 56.39774 
1 1 1    1   25   26 o   94.753   33.244   14.313   10.093   0.0000   0.0000   14.313   10.093  ?   ?    94.753   33.244 0.000000 33.24435 
1 1 1    1   25   27 o  106.989   33.096   19.311   10.107   37.100   23.222   15.154   11.226  127.233   49.330   95.629   34.878 31.60360 60.41440 
1 1 1    1   25   28 o  126.522   28.965   25.798   9.2878   8.2530   23.104   29.180   10.144   91.844   42.248  133.864   29.997 -42.01987 51.81394 
1 1 1    1   25   29 o   79.418   30.006   9.6055   8.4440   29.970   22.367   6.2207   9.1187  112.182   46.641   72.497   29.931 39.68508 55.41830 
1 1 1    1   25   30 o   65.229   26.908   4.5876   7.3614 -22.3800   21.408   8.2040   7.8394   67.648   33.426   74.692   28.745 -7.043701 44.08578 
1 1 1    1   25   31 o   54.610   24.193   0.4075   6.7859   1.3420   16.339   0.2128   7.4596   74.865   34.818   56.300   25.128 18.56460 42.93837 
1 1 1    1   25   32 f   55.148   25.090  -0.8870   7.8570   7.5830   19.995  -2.4337   8.5443   82.195   38.323   54.897   25.409 27.29825 45.98110 
1 1 1    1   25   33 o   66.857   29.316   4.4156   9.7269  -8.7400   20.817   8.0902   11.002   70.062   34.284   74.383   31.897 -4.321030 46.82780 
1 1 1    1   25   34 f   45.707   22.241  -9.3219   8.4121  -3.1720   18.898 -10.8417   9.3942   69.474   33.696   47.310   23.125 22.16399 40.86851 
1 1 1    1   25   35 o   95.869   35.563   21.581   11.751   25.190   21.161   19.972   14.131   88.861   40.712   88.836   37.014 0.2466583E-01 55.02281 
1 1 1    1   25   36 o   55.293   26.402  -3.3586   10.585   14.420   21.811  -8.8363   12.107   77.437   37.220   53.635   26.225 23.80163 45.53104 
1 1 1    1   25   37 o   63.635   28.019   5.9649   8.9664  -5.7440   18.745   9.4389   10.210   62.797   31.075   69.965   30.368 -7.167950 43.44930 
1 1 1    1   25   38 o   72.314   31.824   12.060   11.554   0.0000   0.0000   12.060   11.554  ?   ?    72.314   31.824 0.000000 31.82430 
1 1 1    1   25   39 o   70.062   29.489   11.020   9.1082   19.720   19.356   8.5459   10.323   74.087   35.464   65.634   29.408 8.452133 46.07073 
1 1 1    1   25   40 o   61.332   26.644   7.1631   7.8737 -16.3100   23.268   10.199   8.3674   57.190   29.085   67.077   28.251 -9.886669 40.54691 
1 1 1    1   25   41 o   67.930   28.772   12.035   8.7586   45.130   19.325   3.4798   9.8257   86.201   39.268   55.335   26.134 30.86600 47.16953 
1 1 1    1   26    0 f  232.794   19.448   71.922   11.620   46.257   17.158   93.665   15.792  179.969   37.998  264.582   23.280 -84.61314 44.56221 
1 1 1    1   26    1 o  210.626   22.578   59.476   12.126   72.867   18.055   48.471   16.367  230.156   31.079  185.364   35.379 44.79166 47.09095 
1 1 1    1   26    2 o  392.958   14.113  201.914   14.365  198.993   21.531  204.258   19.285  387.097   21.558  393.744   18.909 -6.646606 28.67576 
1 1 1    1   26    3 o  164.001   27.068   36.926   11.097   39.357   16.566   34.948   14.947  165.160   39.293  156.098   37.446 9.061874 54.27876 
1 1 1    1   26    4 o  161.854   26.579   35.945   10.756   35.025   16.188   36.671   14.393  155.448   39.978  160.449   35.564 -5.000961 53.50751 
1 1 1    1   26    5 o  299.934   16.809  118.567   13.007  117.282   19.223  119.653   17.665  295.061   25.398  299.086   22.978 -4.024261 34.24970 
1 1 1    1   26    6 o  102.293   34.050   13.917   10.558   22.012   14.551   4.9157   15.344  125.139   39.854   93.222   38.684 31.91661 55.54118 
1 1 1    1   26    7 o  276.256   18.110  101.058   12.888   94.926   19.602  105.726   17.104  263.131   29.255  280.414   23.771 -17.28220 37.69486 
1 1 1    1   26    8 o  358.984   17.005  169.743   15.812  164.600   29.414  171.833   18.752  344.076   33.425  359.420   20.224 -15.34409 39.06721 
1 1 1    1   26    9 o  454.924   15.873  272.250   18.705  286.800   33.717  265.781   22.482  458.328   28.542  447.790   19.383 10.53769 34.50095 
1 1 1    1   26   10 o  459.232   20.407  280.724   24.275  280.724   24.275   0.0000   0.0000  459.232   20.407  ?   ?  0.000000 20.40692 
1 1 1    1   26   11 o  306.707   16.398  124.523   12.981  129.206   19.162  120.552   17.646  308.606   24.164  298.680   22.985 9.925659 33.34954 
1 1 1    1   26   12 o  114.159   35.424   18.772   11.569   37.721   19.035   7.6735   14.568  156.111   44.757   94.293   38.248 61.81808 58.87393 
1 1 1    1   26   13 o  228.175   22.302   70.853   13.013   69.948   19.141   71.630   17.744  219.488   34.831  224.360   31.392 -4.871292 46.88974 
1 1 1    1   26   14 o  138.845   31.703   28.190   11.151   44.480   17.089   16.109   14.716  170.721   39.437  109.022   39.908 61.69933 56.10677 
1 1 1    1   26   15 o  108.961   35.854   17.312   11.719   8.9687   17.585   23.977   15.718   99.968   41.442  125.191   41.539 -25.22292 58.67605 
1 1 1    1   26   16 o   90.398   34.589   9.7755   11.310   5.7759   15.536   14.285   16.497   91.065   38.432  106.076   41.452 -15.01058 56.52697 
1 1 1    1   26   17 o  170.202   35.763   44.251   15.266   0.0000   0.0000   44.251   15.266  ?   ?   170.202   35.763 0.000000 35.76328 
1 1 1    1   26   18 o   63.375   28.838  -4.0332   10.385   7.2946   15.401 -13.4803   14.064   91.863   38.489   64.505   30.698 27.35773 49.23198 
1 1 1    1   26   19 o  131.180   36.025   27.139   12.615  -0.6719   18.737   50.199   17.062   87.341   39.337  177.925   38.164 -90.58421 54.80770 
1 1 1    1   26   20 o  269.641   22.344  101.544   15.466   76.410   28.335  112.209   18.458  200.416   53.557  280.311   25.707 -79.89513 59.40736 
1 1 1    1   26   21 o   70.659   29.638   3.3638   9.1485  -5.4050   22.599   5.0824   10.005   88.011   40.937   76.066   31.372 11.94541 51.57602 
1 1 1    1   26   22 o   63.801   30.363 -11.6338   13.759   6.5460   22.220 -22.9400   17.523   96.913   43.303   64.944   31.710 31.96924 53.67241 
1 1 1    1   26   23 o   56.585   26.248  -5.0852   9.1922 -29.9900   24.209  -0.8898   9.9364   73.592   36.206   64.683   28.926 8.909058 46.34171 
1 1 1    1   26   24 o  135.797   26.802   28.052   9.0929   0.0000   0.0000   28.052   9.0929  ?   ?   135.797   26.802 0.000000 26.80165 
1 1 1    1   26   25 o  103.651   32.075   17.841   9.4920   0.0000   0.0000   17.841   9.4920  ?   ?   103.651   32.075 0.000000 32.07537 
1 1 1    1   26   26 o   89.176   31.545   12.935   9.1030   24.470   23.222   10.840   9.8949  107.954   46.319   84.243   32.325 23.71173 56.48277 
1 1 1    1   26   27 o   77.735   29.609   8.9867   8.2641  -7.0570   21.418   11.793   8.9578   77.218   37.053   85.250   31.147 -8.031799 48.40520 
1 1 1    1   26   28 o  109.722   29.678   20.388   8.6384   64.870   20.395   10.663   9.5361  174.658   44.848   81.794   31.640 92.86362 54.88524 
1 1 1    1   26   29 o   89.866   28.376   13.635   7.3885   33.890   19.067   10.056   8.0148  116.761   44.855   78.954   29.354 37.80742 53.60592 
1 1 1    1   26   30 o   79.626   28.181   10.569   7.2655   3.7700   20.072   11.594   7.7940   79.517   37.492   82.426   29.186 -2.908905 47.51314 
1 1 1    1   26   31 o   67.494   27.912   6.0081   7.9499   5.2480   21.353   6.1304   8.5657   79.713   37.904   68.572   28.716 11.14139 47.55323 
1 1 1    1   26   32 o   82.051   32.138   12.796   9.9335   11.080   21.098   13.285   11.260   81.588   38.460   82.608   33.583 -1.019463 51.05843 
1 1 1    1   26   33 o   62.883   27.557   4.1983   8.5834   6.0700   18.102   3.6554   9.7490   74.054   35.122   63.750   28.570 10.30364 45.27447 
1 1 1    1   26   34 o   58.038   27.432  -1.4860   10.865  -4.9980   20.731  -0.1559   12.758   66.959   33.049   62.207   29.498 4.752552 44.29871 
1 1 1    1   26   35 o   55.779   26.649  -2.6304   10.816   17.420   22.106  -8.9410   12.402   77.558   37.327   53.493   26.236 24.06490 45.62486 
1 1 1    1   26   36 o   95.646   31.507   20.577   9.0491   58.140   19.399   10.130   10.230  123.845   45.742   70.069   30.405 53.77595 54.92546 
1 1 1    1   26   37 o   55.555   26.992  -3.1816   12.266   0.0000   0.0000  -3.1816   12.266  ?   ?    55.555   26.992 0.000000 26.99223 
1 1 1    1   26   38 o   82.937   30.990   17.226   8.9550   37.480   22.806   13.534   9.7371   81.086   38.727   73.140   30.622 7.945473 49.37080 
1 1 1    1   26   39 o   44.235   21.871  -8.7944   9.2135 -16.6700   22.095  -7.1367   10.137   55.524   28.248   47.225   23.271 8.298470 36.59908 
1 1 1    1   26   40 o   54.584   25.579   3.8935   9.0964   0.5711   22.484   4.5437   9.9468   58.251   29.516   55.871   26.359 2.379665 39.57266 
1 1 1    1   27    0 o  144.035   31.930   29.601   11.600   12.257   17.438   43.370   15.537  108.143   42.512  173.381   35.782 -65.23746 55.56627 
1 1 1    1   27    1 o  185.458   23.693   46.812   11.122   38.152   15.565   55.845   15.897  161.478   37.869  199.235   31.877 -37.75682 49.49985 
1 1 1    1   27    2 o  229.132   19.632   70.172   11.540   76.555   17.635   65.391   15.261  234.975   29.633  217.863   27.665 17.11125 40.53973 
1 1 1    1   27    3 o   86.332   34.163   6.7407   11.331   16.436   17.344  -0.4783   14.966  114.992   43.096   83.713   36.544 31.27955 56.50470 
1 1 1    1   27    4 o  226.392   21.452   69.000   12.430   54.539   18.894   80.033   16.504  192.728   39.182  241.495   26.837 -48.76663 47.49167 
1 1 1    1   27    5 o  415.823   18.897  229.550   20.355   0.0000   0.0000  229.550   20.355  ?   ?   415.823   18.897 0.000000 18.89743 
1 1 1    1   27    6 o  267.656   20.080   96.000   13.820  104.000   24.292   92.172   16.805  269.452   35.681  259.714   25.302 9.737488 43.74163 
1 1 1    1   27    7 o  268.967   21.197   97.450   14.649  132.200   28.818   85.344   17.010  301.954   37.664  248.740   26.825 53.21376 46.23997 
1 1 1    1   27    8 o  368.893   16.245  180.003   15.523  161.200   29.689  187.078   18.210  335.636   34.647  374.297   18.843 -38.66095 39.43933 
1 1 1    1   27    9 o  229.340   20.367   71.029   11.973   58.399   18.184   80.697   15.909  199.022   36.621  241.683   25.812 -42.66055 44.80386 
1 1 1    1   27   10 o  327.943   15.954  142.522   13.553  139.420   20.493  144.933   18.068  318.293   25.059  327.120   21.442 -8.827332 32.98043 
1 1 1    1   27   11 o  178.986   27.314   45.272   12.262   49.500   17.939   41.564   16.800  179.659   39.613  164.059   39.914 15.59938 56.23479 
1 1 1    1   27   12 o  354.875   15.741  167.318   14.470  146.524   21.391  184.861   19.648  324.604   25.650  369.204   20.627 -44.59988 32.91448 
1 1 1    1   27   13 o  279.152   18.456  105.161   13.270   80.923   19.544  125.894   18.075  234.603   33.079  302.038   23.283 -67.43446 40.45116 
1 1 1    1   27   14 o  281.390   18.323  107.063   13.283  112.926   21.173  103.259   17.056  279.841   29.662  271.912   24.478 7.928223 38.45795 
1 1 1    1   27   15 o  344.811   15.805  158.898   14.117  153.887   19.064  164.981   21.004  333.780   22.176  344.129   23.708 -10.34842 32.46299 
1 1 1    1   27   16 o  272.460   19.881  101.741   13.934  118.871   21.029   88.332   18.605  286.388   28.735  245.587   29.861 40.80075 41.44147 
1 1 1    1   27   17 o  225.461   20.218   70.161   11.682   64.280   16.641   75.876   16.404  206.564   32.146  228.038   28.385 -21.47462 42.88403 
1 1 1    1   27   18 o  111.864   35.242   19.816   11.401   24.870   16.584   15.286   15.700  121.373   42.612  103.180   40.406 18.19353 58.72327 
1 1 1    1   27   19 f  101.013   33.934   15.829   10.485   17.797   15.671   14.233   14.108  106.694   40.741   99.167   38.450 7.526886 56.01968 
1 1 1    1   27   20 o   88.064   36.177   9.0581   13.239   20.040   25.022   4.7890   15.601  112.572   48.184   85.324   37.278 27.24795 60.92120 
1 1 1    1   27   21 o  141.939   25.022   29.814   8.8637   32.990   23.900   29.307   9.5443  126.537   49.761  138.964   27.489 -12.42671 56.84888 
1 1 1    1   27   22 o   51.579   24.441  -7.5680   8.7304 -26.8600   22.324  -4.0846   9.4859   70.697   34.779   58.312   26.913 12.38521 43.97575 
1 1 1    1   27   23 o  128.172   34.448   28.150   11.682   0.0000   0.0000   28.150   11.682  ?   ?   128.172   34.448 0.000000 34.44786 
1 1 1    1   27   24 o  112.193   29.325   20.568   8.6173   20.490   18.792   20.588   9.6969  103.181   42.813  109.989   32.065 -6.808311 53.48937 
1 1 1    1   27   25 o   58.812   26.408  -0.3607   8.3717 -13.0800   19.601   2.4772   9.2586   70.667   34.285   65.741   28.720 4.925606 44.72476 
1 1 1    1   27   26 o   80.999   29.299   10.604   7.8979   16.200   16.222   8.8659   9.0419   93.334   39.323   77.233   30.532 16.10040 49.78503 
1 1 1    1   27   27 o   71.964   28.775   7.2856   8.1175  -4.4280   19.056   9.8825   8.9723   73.490   35.181   78.745   30.626 -5.255455 46.64395 
1 1 1    1   27   28 o  109.758   27.811   20.371   7.9166 -10.4900   21.158   25.395   8.5367   71.243   34.799  123.555   27.392 -52.31255 44.28662 
1 1 1    1   27   29 o   54.540   24.587  -0.0884   7.3403 -21.6800   21.266   2.8318   7.8209   64.836   32.256   60.900   26.506 3.936005 41.74910 
1 1 1    1   27   30 o   66.440   27.957   5.7255   8.1829   23.800   21.623   2.7045   8.8403   92.814   41.987   62.032   27.541 30.78164 50.21377 
1 1 1    1   27   31 o   58.552   26.958   0.1208   9.4344  -8.6380   19.955   2.6423   10.707   66.778   32.857   64.090   29.208 2.688644 43.96252 
1 1 1    1   27   32 o   67.019   28.736   6.7829   8.9279   12.180   17.417   4.8595   10.398   77.240   35.931   65.369   29.385 11.87070 46.41651 
1 1 1    1   27   33 o   81.031   33.140   15.364   11.047   33.080   21.969   9.3682   12.780   90.041   41.337   71.274   32.258 18.76676 52.43391 
1 1 1    1   27   34 o   57.375   27.145  -0.0035   10.687   42.720   22.269 -12.7879   12.182   94.210   42.615   49.961   24.781 44.24961 49.29604 
1 1 1    1   27   35 o   85.284   30.445   16.703   8.4974   12.910   19.257   17.620   9.4692   70.825   34.271   84.756   31.828 -13.93118 46.77075 
1 1 1    1   27   36 o   63.465   29.682   6.8731   12.144   0.0000   0.0000   6.8731   12.144  ?   ?    63.465   29.682 0.000000 29.68179 
1 1 1    1   27   37 o   56.340   26.166   3.4833   9.1776   14.110   22.996   1.4701   10.009   66.787   33.278   54.917   26.066 11.86934 42.27107 
1 1 1    1   27   38 o   51.581   24.645   0.3544   9.2542  -6.1590   20.339   2.0550   10.392   56.598   28.609   54.509   26.064 2.089069 38.70152 
1 1 1    1   27   39 o   47.146   22.998  -2.8384   9.1541   20.140   23.585  -6.9141   9.9328   62.956   31.696   45.313   22.458 17.64249 38.84563 
1 1 1    1   28    0 o  235.305   20.072   74.762   12.117   60.074   17.541   88.168   16.758  202.813   34.633  252.317   26.014 -49.50395 43.31523 
1 1 1    1   28    1 o   65.806   29.885  -4.7349   11.084 -21.4201   17.009   7.5785   14.612   67.771   32.648   93.434   38.151 -25.66292 50.21365 
1 1 1    1   28    2 o   58.563   27.656 -10.7028   11.000  -6.7615   15.953 -14.2746   15.187   77.520   35.454   68.278   32.321 9.241432 47.97533 
1 1 1    1   28    3 o  198.452   23.299   54.165   11.749   60.087   17.066   48.830   16.199  203.209   33.596  181.500   35.727 21.70897 49.04161 
1 1 1    1   28    4 f  321.948   15.716  137.370   13.106  128.355   20.295  143.819   17.165  304.365   25.991  326.322   20.410 -21.95660 33.04686 
1 1 1    1   28    5 o  236.751   23.841   77.230   14.421   71.030   26.844   79.745   17.098  206.641   50.564  237.776   28.318 -31.13451 57.95407 
1 1 1    1   28    6 o   75.042   32.592   0.5731   11.776   5.0090   20.632  -1.5701   14.341   99.877   43.259   78.857   35.041 21.02023 55.67106 
1 1 1    1   28    7 o  314.287   16.920  132.109   13.723  139.644   21.736  127.114   17.697  315.795   26.826  304.544   22.594 11.25180 35.07312 
1 1 1    1   28    8 o  116.686   33.951   20.458   10.881   22.234   18.305   19.487   13.530  121.452   44.501  114.105   38.547 7.347382 58.87481 
1 1 1    1   28    9 o  136.111   30.816   27.453   10.612   30.631   15.671   24.762   14.422  138.486   40.876  125.733   39.639 12.75301 56.93925 
1 1 1    1   28   10 o  216.093   23.672   65.162   13.034   45.384   18.886   83.148   18.010  166.165   43.403  239.768   29.629 -73.60339 52.55174 
1 1 1    1   28   11 o  330.106   16.291  145.908   13.930  152.663   20.350  139.952   19.109  330.805   23.910  317.125   23.429 13.67902 33.47506 
1 1 1    1   28   12 o  171.406   28.316   42.879   12.133   21.804   18.223   59.663   16.262  117.822   44.171  199.335   32.624 -81.51284 54.91243 
1 1 1    1   28   13 o  277.255   18.951  105.013   13.529  117.604   20.023   94.437   18.351  285.680   27.394  255.006   28.257 30.67415 39.35584 
1 1 1    1   28   14 o  122.586   33.212   23.447   10.808   45.198   16.325   6.4761   14.420  166.973   38.528   87.547   36.991 79.42564 53.41087 
1 1 1    1   28   15 o   81.075   32.912   6.7931   10.795   1.8693   17.287   9.9408   13.822   86.042   38.339   91.702   37.235 -5.659767 53.44461 
1 1 1    1   28   16 o   91.035   34.142   11.667   10.889   19.541   14.806   2.3893   16.071  109.751   40.052   83.890   37.195 25.86107 54.65924 
1 1 1    1   28   17 o   65.726   29.949  -3.0886   11.251   2.3054   17.875  -6.6280   14.479   86.162   38.645   70.092   32.657 16.06963 50.59574 
1 1 1    1   28   18 o   88.482   34.468   10.827   11.379   5.1680   21.447   13.044   13.424   93.055   41.981   94.713   37.279 -1.658379 56.14395 
1 1 1    1   28   19 o   81.747   34.169   7.1483   12.096 -13.1390   15.003   44.830   20.447   64.622   31.010  149.231   47.214 -84.60822 56.48687 
1 1 1    1   28   20 o  196.034   23.263   56.219   11.582   55.259   17.245   57.008   15.633  177.760   38.562  186.723   33.554 -8.963379 51.11715 
1 1 1    1   28   21 o  114.621   39.990   25.014   14.595   0.0000   0.0000   25.014   14.595  ?   ?   114.621   39.990 0.000000 39.99012 
1 1 1    1   28   22 o   60.119   27.540  -2.2242   9.6781   4.9250   23.822  -3.6375   10.592   88.913   41.580   60.805   28.195 28.10796 50.23776 
1 1 1    1   28   23 o  148.187   22.141   32.820   8.2381   40.760   24.857   31.841   8.7315  121.869   49.760  144.084   24.257 -22.21539 55.35777 
1 1 1    1   28   24 o   70.083   28.972   5.9745   8.5599   8.5420   22.210   5.5266   9.2765   87.043   40.519   70.337   29.691 16.70547 50.23297 
1 1 1    1   28   25 o   41.057   20.341 -15.0290   8.1221   32.250   19.954 -24.4176   8.8920  111.341   44.904   37.892   19.125 73.44882 48.80685 
1 1 1    1   28   26 o   75.902   28.725   9.3454   7.7466   18.660   21.256   7.9188   8.3187   92.179   41.671   72.741   29.114 19.43872 50.83373 
1 1 1    1   28   27 o   68.338   27.047   6.8472   7.1033  -5.7850   21.086   8.4643   7.5443   72.281   35.181   72.826   28.150 -0.5448990 45.05680 
1 1 1    1   28   28 o   55.574   25.066   0.4078   7.6399   17.400   22.142  -1.8885   8.1398   86.905   40.455   53.492   24.773 33.41263 47.43769 
1 1 1    1   28   29 o   73.669   29.461   9.4447   8.5104   35.710   21.246   4.4252   9.2881  102.435   44.133   64.646   28.488 37.78849 52.52916 
1 1 1    1   28   30 o   63.744   28.262   4.5434   9.2776   15.430   18.845   1.0605   10.659   80.508   37.426   60.993   28.283 19.51525 46.91025 
1 1 1    1   28   31 o   67.277   28.767   7.5571   8.9027   22.570   16.502   1.3938   10.573   86.215   37.984   60.047   27.954 26.16816 47.16141 
1 1 1    1   28   32 o   50.032   24.263  -6.1111   9.7881   20.980   21.581 -13.1274   10.983   78.184   37.431   47.440   23.530 30.74378 44.21264 
1 1 1    1   28   33 o   54.146   25.949  -1.9550   10.432 -33.3500   21.777   7.3944   11.884   54.041   27.545   65.438   30.174 -11.39726 40.85583 
1 1 1    1   28   34 o   47.491   22.906  -4.1250   8.4340   2.7570   20.410  -5.5421   9.2618   63.804   31.719   47.952   23.334 15.85220 39.37767 
1 1 1    1   28   35 o   53.924   25.998  -0.7601   10.837   0.0000   0.0000  -0.7601   10.837  ?   ?    53.924   25.998 0.000000 25.99840 
1 1 1    1   28   36 o   50.866   24.281  -0.2339   8.9393  -1.3090   23.049  -0.0436   9.6984   59.681   30.201   52.099   24.982 7.581600 39.19487 
1 1 1    1   28   37 f   42.372   20.801  -6.0506   7.8525 -18.1300   17.429  -2.9742   8.7958   49.724   25.277   46.924   22.812 2.799759 34.04865 
1 1 1    1   28   38 o   40.138   20.119 -11.4569   8.9809  -9.4610   22.887 -11.8201   9.7640   53.300   27.256   41.441   20.800 11.85872 34.28621 
1 1 1    1   29    0 o  188.861   24.155   50.077   11.546   40.946   16.977   57.936   15.749  159.463   40.902  198.126   31.761 -38.66219 51.78593 
1 1 1    1   29    1 o  238.692   20.696   78.120   12.670   69.125   19.005   85.315   16.998  213.498   35.620  244.708   27.280 -31.20929 44.86669 
1 1 1    1   29    2 o  218.985   21.850   66.273   12.229   77.390   17.969   56.682   16.690  229.973   30.950  193.730   34.525 36.24300 46.36662 
1 1 1    1   29    3 f  171.575   27.651   42.484   11.871   24.692   17.411   57.944   16.229  124.099   43.656  196.960   32.976 -72.86079 54.71066 
1 1 1    1   29    4 o   91.217   35.801   9.8530   12.349   38.800   26.709   1.9833   13.926  145.547   53.690   81.230   35.362 64.31716 64.28867 
1 1 1    1   29    5 o  215.443   24.882   65.572   13.630  151.300   29.751   42.799   15.334  313.533   37.369  165.567   36.716 147.9662 52.38857 
1 1 1    1   29    6 o   56.608   26.982 -11.5063   10.954 -13.2657   15.782  -9.8706   15.217   69.048   32.761   70.582   33.079 -1.533913 46.55596 
1 1 1    1   29    7 f  211.329   21.992   62.217   11.862   43.964   17.920   76.452   15.826  162.363   42.216  230.542   27.013 -68.17938 50.11874 
1 1 1    1   29    8 o  283.392   17.841  109.101   13.030   90.611   19.309  124.562   17.656  247.155   30.831  298.360   23.024 -51.20457 38.47896 
1 1 1    1   29    9 o  144.725   31.214   31.860   11.358   21.911   17.340   39.336   15.031  116.332   43.190  156.239   37.596 -39.90692 57.26152 
1 1 1    1   29   10 o  120.796   36.062   23.449   12.144   22.178   17.834   24.547   16.583  116.298   43.679  120.791   42.594 -4.492775 61.00858 
1 1 1    1   29   11 o  201.323   22.152   57.096   11.361   39.352   16.927   71.641   15.325  151.326   41.801  221.354   27.307 -70.02736 49.92992 
1 1 1    1   29   12 o  111.538   36.006   20.099   11.846   18.522   18.305   21.236   15.538  109.004   43.331  113.135   41.068 -4.130165 59.70081 
1 1 1    1   29   13 o  102.904   34.121   16.749   10.606   9.1969   14.896   24.515   15.106   90.800   37.932  119.286   40.727 -28.48594 55.65606 
1 1 1    1   29   14 o  145.726   28.626   32.310   10.420   6.8336   18.490   44.167   12.614   91.701   40.309  170.015   29.725 -78.31403 50.08422 
1 1 1    1   29   15 o  130.630   37.051   29.093   13.115   5.6720   24.130   38.912   15.625   96.043   43.801  149.030   39.745 -52.98756 59.14575 
1 1 1    1   29   16 o  129.132   39.004   29.691   14.146   23.000   23.687   33.400   17.636  111.940   47.359  131.551   44.011 -19.61032 64.65205 
1 1 1    1   29   17 o  111.525   35.707   21.498   11.668   3.7030   13.676   69.110   22.369   78.349   34.545  188.297   46.207 -109.9479 57.69318 
1 1 1    1   29   18 o   70.740   30.433   3.6452   10.073  -7.2407   16.249   10.440   12.838   70.816   33.495   86.633   35.611 -15.81644 48.88821 
1 1 1    1   29   19 o  144.937   30.704   34.442   11.169   24.750   20.762   38.389   13.249  108.408   44.993  148.382   35.032 -39.97433 57.02291 
1 1 1    1   29   20 o   61.481   28.362  -2.6087   10.517  -1.1249   12.874  -5.5860   18.236   68.514   31.524   73.681   35.034 -5.167145 47.12877 
1 1 1    1   29   21 o   60.087   28.269  -5.0525   11.298  -4.8140   21.177  -5.1473   13.358   76.975   36.912   64.612   30.502 12.36267 47.88375 
1 1 1    1   29   22 o   41.523   20.279 -10.4062   7.1769 -11.5700   22.297 -10.2717   7.5803   73.071   35.699   43.170   21.030 29.90123 41.43225 
1 1 1    1   29   23 f   68.926   28.974   5.7621   8.7747 -42.1800   22.488   14.372   9.5301   59.849   30.232   88.739   32.171 -28.89063 44.14693 
1 1 1    1   29   24 o   89.196   31.209   14.663   8.8922   67.530   22.992   5.3650   9.6425  155.182   50.170   68.801   29.687 86.38063 58.29520 
1 1 1    1   29   25 o   47.133   22.155  -3.9381   6.9123   6.2960   21.157  -5.1611   7.3137   79.349   37.731   46.952   22.284 32.39725 43.81992 
1 1 1    1   29   26 o   59.742   25.792   3.2940   7.2869   15.000   21.510   1.7765   7.7449   84.259   39.438   57.924   25.745 26.33485 47.09684 
1 1 1    1   29   27 o   62.615   26.751   4.7078   7.6862   5.0330   21.289   4.6591   8.2422   75.325   36.347   63.355   27.391 11.97069 45.51279 
1 1 1    1   29   28 o   58.065   26.272   1.7797   8.4697   25.340   18.967  -4.0884   9.4659   89.899   40.101   52.835   25.156 37.06374 47.33774 
1 1 1    1   29   29 o   43.049   21.322 -12.9552   8.8983   11.040   16.050 -23.6028   10.692   74.005   34.448   41.666   21.023 32.33846 40.35639 
1 1 1    1   29   30 o   73.368   30.511   11.577   9.5748   2.7760   19.256   14.468   11.036   66.986   32.820   77.571   32.545 -10.58555 46.22085 
1 1 1    1   29   31 o   65.359   31.173   6.2158   14.672   13.700   21.572  -0.2262   20.014   71.185   34.848   63.930   31.718 7.255314 47.12173 
1 1 1    1   29   32 o   48.752   23.134  -1.7669   7.8747   44.290   22.514  -8.1867   8.4056   87.184   40.655   43.719   21.474 43.46428 45.97761 
1 1 1    1   29   33 o   69.468   29.515   11.942   9.2635   0.0000   0.0000   11.942   9.2635  ?   ?    69.468   29.515 0.000000 29.51516 
1 1 1    1   29   34 o   42.640   20.904  -6.5855   7.8475   10.680   22.052  -9.0890   8.3972   63.661   31.853   41.963   20.771 21.69753 38.02665 
1 1 1    1   29   35 o   55.739   25.387   5.1912   8.0728 -11.8100   23.212   7.5307   8.6104   55.301   28.210   59.440   26.728 -4.138115 38.86082 
1 1 1    1   29   36 o   61.693   26.749   9.6327   7.9058   4.5700   20.829   10.485   8.5452   57.220   28.927   62.576   27.458 -5.355839 39.88338 
1 1 1    1   29   37 o   54.428   24.941   6.4182   7.9462   19.210   23.287   4.7325   8.4536   58.821   29.831   52.276   24.549 6.545338 38.63322 
1 1 1    1   30    0 o  100.207   36.043   15.175   11.931   23.596   17.736   8.2143   16.125  118.309   43.729   92.153   39.036 26.15561 58.61790 
1 1 1    1   30    1 o   77.316   31.998   5.2239   10.459   2.4712   15.017   7.8171   14.575   82.458   36.285   89.233   37.418 -6.774773 52.12199 
1 1 1    1   30    2 o   97.830   35.664   14.207   11.735   16.408   18.518   12.729   15.170  106.579   43.161   97.887   39.267 8.692223 58.35067 
1 1 1    1   30    3 o  137.870   37.056   31.122   13.518   22.720   24.099   34.979   16.329  117.810   48.649  142.404   41.637 -24.59354 64.03455 
1 1 1    1   30    4 o  101.153   36.776   15.630   12.466  -8.2960   25.144   23.428   14.355   89.310   42.065  118.363   39.705 -29.05261 57.84447 
1 1 1    1   30    5 o  188.910   26.194   52.080   12.473  -3.4827   18.712   96.509   16.732   82.505   37.978  258.775   25.285 -176.2696 45.62519 
1 1 1    1   30    6 o  178.655   24.548   46.103   11.060   47.707   15.854   44.583   15.437  171.386   36.809  165.339   36.972 6.047440 52.17112 
1 1 1    1   30    7 o   81.514   33.539   6.8280   11.400 -14.0547   17.425   22.458   15.075   70.659   33.776  115.059   40.606 -44.40044 52.81743 
1 1 1    1   30    8 o   90.968   33.114   12.170   10.112   8.8996   14.146   15.587   14.459   89.088   37.070  100.994   38.989 -11.90555 53.79937 
1 1 1    1   30    9 o  106.770   36.206   18.664   11.937   30.038   18.087   9.8869   15.889  127.185   44.510   92.429   38.929 34.75552 59.13172 
1 1 1    1   30   10 o  228.429   20.611   73.481   12.064   66.233   17.800   79.640   16.408  202.376   35.235  230.351   28.081 -27.97581 45.05596 
1 1 1    1   30   11 o  155.927   29.885   37.731   11.631   19.671   17.983   50.720   15.250  107.488   42.879  176.639   34.568 -69.15106 55.07777 
1 1 1    1   30   12 o   65.510   30.500  -5.5082   12.592 -24.6900   24.455   1.4127   14.690   75.518   36.998   77.923   34.985 -2.404640 50.91984 
1 1 1    1   30   13 o   49.574   24.649 -24.6004   12.343 -36.0100   23.434 -20.2200   14.520   68.208   33.921   58.049   28.454 10.15917 44.27508 
1 1 1    1   30   14 o  137.977   41.372   36.189   15.958   16.030   26.138   48.170   20.150  102.623   46.317  152.482   46.659 -49.85879 65.74460 
1 1 1    1   30   15 o   78.692   32.928   7.1731   11.251   2.6038   15.574   12.160   16.270   78.875   35.662   91.673   39.037 -12.79820 52.87352 
1 1 1    1   30   16 o   88.576   35.213   12.502   12.090   16.530   19.774   10.097   15.278   97.676   42.328   86.930   37.439 10.74589 56.50966 
1 1 1    1   30   17 o  100.987   39.589   19.882   15.084   23.290   22.681   17.180   20.199  103.623   45.119   96.826   42.357 6.797211 61.88587 
1 1 1    1   30   18 o   53.442   25.529  -7.9406   9.9197  -3.0326   12.607 -15.9200   16.074   65.148   30.393   61.885   30.250 3.263092 42.88137 
1 1 1    1   30   19 o   90.177   30.612   14.215   8.5336   22.461   13.652   8.9271   10.932  104.042   38.384   78.220   32.571 25.82251 50.34109 
1 1 1    1   30   20 o  101.654   31.904   18.998   9.3537   18.712   12.893   19.316   13.591   95.779   36.863   96.360   37.633 -0.5803299 52.67889 
1 1 1    1   30   21 o  122.496   28.076   25.568   8.7179   26.526   12.072   24.524   12.603  113.523   36.317  107.296   37.177 6.227409 51.97130 
1 1 1    1   30   22 f   99.220   35.247   20.559   11.376   36.900   21.448   14.161   13.420  109.084   45.539   84.853   35.759 24.23144 57.90113 
1 1 1    1   30   23 o  104.819   30.456   20.529   8.7611   10.600   21.231   22.567   9.6181   81.291   38.399  108.020   32.058 -26.72863 50.02196 
1 1 1    1   30   24 o   89.226   28.331   14.609   7.3572   28.610   19.877   12.386   7.9197   96.636   42.153   81.556   29.362 15.07998 51.37125 
1 1 1    1   30   25 o   64.653   26.974   5.9661   7.5181  -0.1584   19.623   7.0198   8.1392   70.341   34.168   67.506   28.107 2.835258 44.24274 
1 1 1    1   30   26 o   74.226   28.678   10.365   7.8273  -7.1830   19.040   13.933   8.5864   64.532   31.818   82.625   30.448 -18.09260 44.03907 
1 1 1    1   30   27 o   70.850   28.783   9.5151   8.2642   3.2170   16.814   11.521   9.4894   67.491   32.500   74.688   30.649 -7.196587 44.67239 
1 1 1    1   30   28 o   69.788   29.165   9.7376   8.8104  -3.3260   15.580   15.879   10.682   60.503   29.618   80.279   32.682 -19.77545 44.10607 
1 1 1    1   30   29 o   70.132   32.016   11.651   12.933   1.1490   19.961   19.250   16.980   64.231   31.834   76.054   35.412 -11.82301 47.61722 
1 1 1    1   30   30 o   41.172   20.657 -16.1059   9.5797 -20.9400   21.082 -14.8481   10.754   55.302   28.081   44.462   22.246 10.83967 35.82484 
1 1 1    1   30   31 o   44.435   21.710  -6.0825   8.2524 -11.2700   21.907  -5.2246   8.9086   57.350   29.068   46.607   22.724 10.74366 36.89658 
1 1 1    1   30   32 o   53.966   25.736   1.7093   9.9938   0.0000   0.0000   1.7093   9.9938  ?   ?    53.966   25.736 0.000000 25.73643 
1 1 1    1   30   33 o   45.658   22.556  -6.7226   9.7326 -17.8700   20.304  -3.3973   11.090   52.125   26.571   49.982   24.574 2.142567 36.19212 
1 1 1    1   30   34 o   50.027   23.752   1.5730   8.3229   27.860   23.003  -2.3865   8.9277   65.112   32.572   46.892   22.839 18.21949 39.78089 
1 1 1    1   30   35 o   47.165   22.739   0.0031   8.2896 -33.8100   21.872   5.6746   8.9579   47.116   24.234   53.903   25.299 -6.786118 35.03334 
1 1 1    1   30   36 o   55.284   25.485   8.1710   8.4690   15.770   21.220   6.7313   9.2365   56.061   28.436   53.307   25.225 2.754654 38.01189 
1 1 1    1   31    0 o   60.436   27.958  -4.7234   10.326 -10.9114   13.865   2.9839   15.474   63.884   30.424   81.711   36.350 -17.82627 47.40229 
1 1 1    1   31    1 o  172.528   27.268   44.806   11.781   26.085   16.345   65.050   16.996  119.313   42.263  201.468   33.763 -82.15528 54.09384 
1 1 1    1   31    2 o   92.867   35.953   12.822   12.321   2.5440   22.424   17.268   14.747   91.006   41.774  102.600   39.440 -11.59413 57.45016 
1 1 1    1   31    3 o  108.169   37.366   19.912   12.727   30.820   23.674   15.477   15.093  122.594   49.097   99.365   39.395 23.22927 62.94831 
1 1 1    1   31    4 o  208.400   23.619   63.146   12.525   38.291   17.329   90.332   18.123  142.657   43.188  242.694   29.431 -100.0368 52.26268 
1 1 1    1   31    5 o  192.433   24.000   54.190   11.703   33.469   17.513   70.908   15.731  131.774   43.852  215.084   28.972 -83.31070 52.55834 
1 1 1    1   31    6 o   84.717   33.394   9.8452   10.787   5.9174   14.731   14.387   15.840   83.496   36.358   97.141   39.700 -13.64459 53.83350 
1 1 1    1   31    7 f  118.410   34.270   23.699   11.112   24.669   17.106   22.990   14.616  114.161   42.797  112.487   39.953 1.673599 58.54769 
1 1 1    1   31    8 o   88.498   35.436   11.305   12.331   2.7360   21.983   15.239   14.894   88.646   40.933   97.149   38.930 -8.502609 56.48951 
1 1 1    1   31    9 f  118.826   38.258   25.747   13.381   50.210   23.795   14.434   16.182  146.923   51.072   95.884   39.752 51.03893 64.71916 
1 1 1    1   31   10 o  125.314   39.431   29.514   14.278   37.600   22.012   23.640   18.760  128.129   48.437  109.287   43.727 18.84175 65.25521 
1 1 1    1   31   11 o  153.203   37.041   41.877   14.537   43.009   18.500   40.050   23.505  143.550   44.838  128.155   49.646 15.39546 66.89666 
1 1 1    1   31   12 o   61.883   28.110  -1.1960   9.8124  -0.3217   14.084  -2.0207   13.678   72.265   33.147   69.666   32.211 2.599220 46.21972 
1 1 1    1   31   13 o   49.160   24.108 -15.2446   10.461   9.2030   23.589 -21.2296   11.671   90.895   42.122   48.679   24.164 42.21562 48.56076 
1 1 1    1   31   14 o   77.744   33.760   6.8172   12.631   8.6280   17.160   4.6760   18.660   84.600   37.910   81.947   37.795 2.653282 53.53121 
1 1 1    1   31   15 o   59.795   28.443  -6.8296   12.043 -16.9441   15.134   10.630   19.884   59.005   28.948   87.278   39.788 -28.27340 49.20403 
1 1 1    1   31   16 o   62.081   28.257  -0.0742   9.9805   26.164   14.509 -23.6436   13.751  109.532   39.697   51.694   25.753 57.83792 47.31877 
1 1 1    1   31   17 o   81.305   32.143   11.373   10.021  -6.5767   14.499   27.790   13.867   63.892   30.613  112.706   38.999 -48.81444 49.57875 
1 1 1    1   31   18 o   81.500   31.225   11.826   9.2243   2.8373   15.671   16.591   11.410   73.046   34.014   91.015   34.762 -17.96864 48.63480 
1 1 1    1   31   19 o   61.438   27.081   2.7447   8.3981  -0.8067   13.790   4.8383   10.588   66.353   31.222   68.415   30.269 -2.061852 43.48585 
1 1 1    1   31   20 o  125.109   27.297   26.968   8.5976   9.8764   13.176   39.640   11.346   77.089   33.954  147.837   30.634 -70.74886 45.73058 
1 1 1    1   31   21 o   81.388   31.118   12.776   9.1500   16.693   12.506   8.2626   13.423   86.907   35.368   74.204   33.369 12.70277 48.62511 
1 1 1    1   31   22 o   68.940   30.227   6.7263   10.338   5.3950   17.461   7.4448   12.828   72.831   34.528   71.846   32.435 0.9856110 47.37297 
1 1 1    1   31   23 o   66.918   27.094   7.3042   7.2957  -7.7500   16.204   11.132   8.1708   61.407   30.091   76.243   29.345 -14.83533 42.03093 
1 1 1    1   31   24 o   64.759   26.986   6.6393   7.5123   18.720   16.582   3.5196   8.4267   82.146   37.000   59.943   26.734 22.20296 45.64791 
1 1 1    1   31   25 o   46.890   22.372  -4.0942   7.5712   8.4250   17.592  -6.9402   8.3878   70.750   33.852   46.180   22.410 24.57037 40.59752 
1 1 1    1   31   26 o   59.990   25.981   5.2590   7.4412   0.6722   16.557   6.4200   8.3299   63.249   30.870   62.871   27.359 0.3774605 41.24883 
1 1 1    1   31   27 o   57.016   26.088   3.2891   8.6501   19.170   18.536  -1.1325   9.7804   74.119   35.265   53.358   25.450 20.76101 43.48893 
1 1 1    1   31   28 o   70.640   34.478   19.140   20.659   19.140   20.659   0.0000   0.0000   70.640   34.478  ?   ?  0.000000 34.47829 
1 1 1    1   31   29 o   52.583   25.455  -1.1901   10.654 -32.1800   21.360   9.0727   12.292   51.077   26.136   63.248   29.670 -12.17046 39.53986 
1 1 1    1   31   30 o   75.705   29.647   15.423   8.4522 -14.3000   22.553   20.280   9.1167   55.003   28.035   85.144   31.374 -30.14097 42.07485 
1 1 1    1   31   31 o   56.749   27.253   5.1487   11.639   0.0000   0.0000   5.1487   11.639  ?   ?    56.749   27.253 0.000000 27.25324 
1 1 1    1   31   32 f   69.936   30.228   16.367   10.032   10.730   17.175   19.286   12.359   59.371   29.444   69.449   31.547 -10.07831 43.15259 
1 1 1    1   31   33 o   80.390   30.779   20.850   8.9592   15.190   23.101   21.852   9.7199   58.169   29.522   78.890   31.507 -20.72079 43.17695 
1 1 1    1   31   34 o   56.433   26.212   9.2188   9.2126   17.770   23.048   7.5929   10.050   56.468   28.741   54.301   25.872 2.167820 38.67007 
1 1 1    1   31   35 o   52.704   26.777   11.190   19.371   11.190   19.371   0.0000   0.0000   52.704   26.777  ?   ?  0.000000 26.77711 
1 1 1    1   32    0 f   73.074   32.325   2.9162   12.070   8.2430   21.862   0.5803   14.477   91.115   41.607   74.495   33.956 16.61967 53.70436 
1 1 1    1   32    1 o   84.178   37.388   6.6905   16.308   0.0000   0.0000   6.6905   16.308  ?   ?    84.178   37.388 0.000000 37.38834 
1 1 1    1   32    2 o   62.610   30.161 -12.2273   14.513   0.0000   0.0000 -12.2273   14.513  ?   ?    62.610   30.161 0.000000 30.16083 
1 1 1    1   32    3 o  153.479   39.487   43.987   15.789   39.080   22.669   48.610   22.003  127.198   48.898  144.220   49.155 -17.02228 69.33434 
1 1 1    1   32    4 o   78.456   35.502   3.0688   15.473   3.8590   22.152   2.3160   21.622   86.967   40.478   85.213   39.771 1.754021 56.74674 
1 1 1    1   32    5 o  106.097   39.553   21.773   14.572   17.720   22.977   24.500   18.846   99.464   44.268  108.098   43.624 -8.633690 62.15096 
1 1 1    1   32    6 o  231.599   23.045   79.882   13.641   93.036   16.758   54.050   23.484  244.497   26.906  147.100   50.760 97.39738 57.45053 
1 1 1    1   32    7 o  102.066   35.978   19.241   11.831   11.225   15.970   28.990   17.612   87.922   38.070  115.082   43.370 -27.16038 57.70870 
1 1 1    1   32    8 o   69.369   31.154   1.7559   11.657   4.9270   18.805  -0.2232   14.856   82.799   38.098   72.697   33.597 10.10201 50.79549 
1 1 1    1   32    9 o   56.504   27.120  -9.3454   11.489   24.390   23.984 -19.3915   13.088  102.640   45.477   53.191   26.255 49.44888 52.51187 
1 1 1    1   32   10 o   55.667   27.306 -16.4315   13.446  -0.8846   18.961 -32.1600   19.071   76.661   36.235   59.021   29.544 17.63951 46.75324 
1 1 1    1   32   11 o   81.847   36.026   9.3198   14.812   19.210   22.683   1.9670   19.558   95.144   43.026   78.750   37.094 16.39410 56.80798 
1 1 1    1   32   12 o   73.491   31.554   6.6973   10.790  -1.4545   13.498   21.130   17.960   67.145   31.367   96.856   41.123 -29.71109 51.71986 
1 1 1    1   32   13 o   54.804   25.796  -4.3632   9.4272   13.990   14.925 -16.5457   12.160   86.406   37.105   51.564   25.425 34.84245 44.98003 
1 1 1    1   32   14 o  110.282   32.976   23.315   10.149   25.865   15.945   21.578   13.158  103.067   40.608   99.257   37.467 3.809952 55.25237 
1 1 1    1   32   15 f   56.084   25.976  -1.7086   8.9519  -1.9343   12.382  -1.4615   12.957   63.025   29.634   64.472   30.314 -1.446781 42.39198 
1 1 1    1   32   16 o   63.397   28.183   3.2035   9.2860   7.8891   14.039  -0.4409   12.381   75.185   33.938   63.971   29.935 11.21426 45.25399 
1 1 1    1   32   17 o   51.839   24.480  -3.8701   8.6173   3.2352   13.483  -8.7763   11.204   68.652   31.825   53.490   25.945 15.16171 41.06069 
1 1 1    1   32   18 o   62.452   26.916   4.5166   7.9081   9.1061   12.390   1.3612   10.273   74.093   32.764   61.459   28.234 12.63468 43.25101 
1 1 1    1   32   19 o   87.497   30.552   15.342   8.5196   15.473   13.952   15.264   10.758   82.150   35.577   83.979   33.271 -1.829247 48.71032 
1 1 1    1   32   20 o   63.266   27.322   5.2825   8.1819   13.133   12.085  -1.3605   11.117   78.213   33.482   58.708   27.749 19.50412 43.48625 
1 1 1    1   32   21 o   88.495   28.568   15.398   7.4572   8.5256   10.141   23.490   11.004   69.688   30.256   99.506   34.723 -29.81825 46.05579 
1 1 1    1   32   22 o   72.644   27.358   10.151   7.0058   6.9384   9.3953   14.175   10.514   65.740   28.820   78.515   32.246 -12.77519 43.24763 
1 1 1    1   32   23 o   54.065   23.946   2.6447   6.6438   21.260   15.611  -1.4725   7.3418   81.839   36.452   49.096   22.999 32.74323 43.10096 
1 1 1    1   32   24 o  108.546   26.546   22.551   7.4020   64.720   18.022   13.993   8.1183  140.447   44.314   78.851   29.498 61.59576 53.23425 
1 1 1    1   32   25 o   64.365   27.175   8.2728   7.7734   21.150   18.116   5.3668   8.6059   74.419   35.248   59.419   26.720 15.00015 44.23108 
1 1 1    1   32   26 o   54.467   26.587  -1.7362   12.291   0.8426   19.018  -3.5860   16.107   60.367   30.108   56.698   28.185 3.669697 41.24184 
1 1 1    1   32   27 o   62.908   29.165   9.5093   11.327   40.670   21.069  -3.1573   13.433   79.441   37.739   53.542   26.460 25.89875 46.09067 
1 1 1    1   32   28 o   53.660   25.274   3.1820   9.0780   16.010   21.678   0.4541   9.9968   63.357   31.683   51.756   24.957 11.60114 40.33189 
1 1 1    1   32   29 o   59.570   27.080   8.5867   9.1297   0.0000   0.0000   8.5867   9.1297  ?   ?    59.570   27.080 0.000000 27.08028 
1 1 1    1   32   30 o   55.730   25.877   6.5775   8.9678 -29.8900   22.738   13.295   9.7588   48.948   25.156   64.604   28.795 -15.65665 38.23562 
1 1 1    1   32   31 o   64.785   27.842   13.000   8.4149   8.9160   18.814   14.021   9.4083   55.980   28.200   64.574   28.553 -8.594334 40.13113 
1 1 1    1   32   32 o   47.476   22.833   1.7386   8.2378 -27.2900   21.387   6.7957   8.9265   46.341   23.842   53.323   25.100 -6.982723 34.61800 
1 1 1    1   32   33 o   40.650   20.021  -3.3856   7.4711   3.0840   22.569  -4.1818   7.9175   50.667   25.993   40.745   20.168 9.922211 32.89976 
1 1 1    1   33    0 o  108.137   41.134   26.394   15.936   33.060   22.239   19.360   22.847  110.164   46.209   95.110   43.080 15.05429 63.17561 
1 1 1    1   33    1 o  157.011   39.338   49.239   15.966   65.600   23.366   34.910   21.867  157.454   50.542  112.925   46.454 44.52833 68.64758 
1 1 1    1   33    2 o  133.383   42.365   39.724   16.450   49.120   24.126   31.560   22.489  127.859   50.083  107.747   45.888 20.11134 67.92678 
1 1 1    1   33    3 o   94.565   37.082   17.858   13.237   20.970   23.830   16.470   15.919   95.893   43.653   91.482   38.771 4.410896 58.38495 
1 1 1    1   33    4 o   87.385   35.905   14.027   13.044   19.757   16.328   3.9220   21.683   95.815   39.845   81.205   38.492 14.61012 55.40023 
1 1 1    1   33    5 f  144.823   35.198   39.589   13.075   29.521   16.816   54.980   20.791  110.666   42.216  145.772   47.746 -35.10635 63.73282 
1 1 1    1   33    6 o  118.349   35.660   27.754   11.835   25.965   14.495   31.330   20.497  107.497   39.568  107.107   44.599 0.3898392 59.62175 
1 1 1    1   33    7 f  130.176   36.988   34.351   13.059   32.006   16.510   38.270   21.345  114.146   42.190  114.139   46.298 0.7286072E-02 62.63806 
1 1 1    1   33    8 o   85.981   31.180   13.561   8.9532   1.7444   12.329   26.745   13.023   67.576   31.002  110.906   37.816 -43.33041 48.89979 
1 1 1    1   33    9 o   63.504   28.271   2.7076   9.3778   5.6217   14.208   0.4583   12.483   73.913   33.671   65.958   30.593 7.955200 45.49326 
1 1 1    1   33   10 o  118.197   39.665   32.605   14.326   0.0000   0.0000   32.605   14.326  ?   ?   118.197   39.665 0.000000 39.66530 
1 1 1    1   33   11 o  137.445   28.102   32.785   9.6673   32.371   14.175   33.145   13.219  116.921   39.455  122.339   37.851 -5.418892 54.67481 
1 1 1    1   33   12 o   61.252   27.597   2.1283   9.2323   22.334   15.114  -9.9003   11.661   94.205   38.672   53.693   26.140 40.51226 46.67733 
1 1 1    1   33   13 o   57.523   26.360   0.2862   8.8779  -1.5516   13.180   1.8126   12.012   63.121   29.946   64.834   30.049 -1.712666 42.42299 
1 1 1    1   33   14 o   70.697   30.211   8.0741   9.8073   0.9558   14.916   13.495   13.017   66.939   31.786   80.025   34.511 -13.08611 46.91854 
1 1 1    1   33   15 o  128.049   29.239   30.397   9.4849   34.741   14.198   26.897   12.746  116.295   39.486  104.289   37.281 12.00620 54.30526 
1 1 1    1   33   16 o   60.126   26.929   3.1219   8.6466  -4.1092   12.508   9.7396   11.966   58.393   28.097   72.962   32.235 -14.56888 42.76088 
1 1 1    1   33   17 o   94.064   30.654   18.334   8.5743   17.864   13.366   18.662   11.177   83.632   35.490   88.204   34.217 -4.571693 49.29800 
1 1 1    1   33   18 o   58.738   26.362   3.1586   8.3326   11.237   12.235  -3.8303   11.380   73.385   32.500   55.750   26.818 17.63577 42.13600 
1 1 1    1   33   19 o  133.625   26.094   32.216   8.7079   33.890   11.855   30.254   12.832  119.085   35.648  105.273   37.431 13.81234 51.69005 
1 1 1    1   33   20 o  106.334   29.766   23.425   8.5229   29.409   12.410   18.083   11.725  103.052   36.792   82.069   33.916 20.98247 50.03962 
1 1 1    1   33   21 o   52.065   24.449  -0.3864   8.3823 -12.7619   11.641   12.939   12.080   48.090   23.915   72.041   32.078 -23.95059 40.01161 
1 1 1    1   33   22 o   43.046   20.896  -5.7078   7.3095  -0.0347   11.395  -9.6744   9.5281   56.083   26.942   45.199   22.327 10.88325 34.99123 
1 1 1    1   33   23 o   38.134   19.054 -12.7929   7.7686 -22.1300   16.877 -10.2825   8.7509   50.054   25.385   42.416   21.032 7.638248 32.96613 
1 1 1    1   33   24 o   49.589   23.946  -1.9764   9.2798   20.050   18.180  -9.7376   10.792   69.163   33.426   46.289   23.020 22.87436 40.58638 
1 1 1    1   33   25 o   66.798   32.900   21.760   20.180   21.760   20.180   0.0000   0.0000   66.798   32.900  ?   ?  0.000000 32.90034 
1 1 1    1   33   26 o   46.342   22.712  -3.8938   9.2385 -11.5800   20.696  -1.9810   10.324   52.995   26.998   49.342   24.145 3.653049 36.21964 
1 1 1    1   33   27 o   48.884   23.509   0.5653   8.7317   0.0000   0.0000   0.5653   8.7317  ?   ?    48.884   23.509 0.000000 23.50948 
1 1 1    1   33   28 o   46.203   22.822  -3.5536   9.9512   0.0000   0.0000  -3.5536   9.9512  ?   ?    46.203   22.822 0.000000 22.82213 
1 1 1    1   33   29 o   43.279   21.536  -5.9481   9.5036 -19.0900   21.375  -2.7100   10.610   48.431   24.873   46.697   23.156 1.734749 33.98333 
1 1 1    1   33   30 o   50.579   24.137   4.8643   8.8203   29.110   18.988  -1.8072   9.9601   60.967   30.355   45.695   22.619 15.27225 37.85563 
1 1 1    1   33   31 o   50.276   24.176   5.8943   9.2260   27.530   20.561   0.4399   10.324   56.666   28.658   46.322   22.947 10.34392 36.71260 
1 1 1    1   33   32 o   42.386   21.084  -2.0890   9.0749 -21.5900   22.235   1.8088   9.9405   44.333   22.876   45.613   22.582 -1.280457 32.14376 
1 1 1    1   34    0 o   88.376   33.212   16.018   10.315  -5.2140   15.078   34.695   14.141   63.582   30.657  121.386   39.357 -57.80368 49.88837 
1 1 1    1   34    1 o  166.099   26.023   46.158   10.829   49.965   15.316   42.353   15.313  151.442   38.852  133.728   40.623 17.71413 56.21142 
1 1 1    1   34    2 o  106.458   32.739   22.688   9.9065   26.144   14.117   19.334   13.906  102.863   38.813   90.776   37.159 12.08762 53.73311 
1 1 1    1   34    3 o   51.639   24.705  -5.9016   9.3627 -23.9709   13.259   12.068   13.223   48.707   24.418   79.484   34.529 -30.77764 42.29049 
1 1 1    1   34    4 o   60.901   27.581   1.8469   9.3601  -0.3170   14.534   3.3805   12.235   66.366   31.474   67.229   30.858 -0.8625565 44.07783 
1 1 1    1   34    5 o   97.262   33.188   19.767   10.030   18.651   14.656   20.751   13.756   88.033   37.249   92.375   37.273 -4.341843 52.69567 
1 1 1    1   34    6 o   52.350   25.069  -5.6759   9.6931  -4.9117   14.183  -6.3457   13.278   61.649   29.728   59.097   28.563 2.551624 41.22563 
1 1 1    1   34    7 o   51.849   24.583  -3.9975   8.8563 -13.7250   13.705   2.9771   11.605   54.585   26.929   65.174   29.966 -10.58889 40.28790 
1 1 1    1   34    8 o   74.787   30.548   10.426   9.3723   16.487   12.926   3.7074   13.609   84.331   35.292   67.852   31.629 16.47861 47.39141 
1 1 1    1   34    9 o  110.630   31.851   24.784   9.6217   31.259   14.711   19.944   12.720  106.857   39.760   89.956   36.001 16.90112 53.63745 
1 1 1    1   34   10 o   76.998   30.365   11.780   8.9229   8.9004   12.601   14.675   12.636   72.110   32.387   80.342   34.311 -8.231873 47.18274 
1 1 1    1   34   11 o   50.321   23.883  -3.6078   8.4017  -0.7080   13.000  -5.6878   11.010   61.702   29.406   54.106   26.116 7.595989 39.32853 
1 1 1    1   34   12 o   64.371   28.697   5.4270   9.6983  -6.4359   14.860   14.228   12.800   59.399   29.045   78.216   33.975 -18.81755 44.69858 
1 1 1    1   34   13 o   74.879   30.415   11.606   9.2257   20.818   14.035   4.5973   12.242   86.131   36.448   65.187   30.257 20.94390 47.37032 
1 1 1    1   34   14 o   58.521   26.526   2.9104   8.6796  -5.7541   11.843   12.966   12.758   54.596   26.525   74.977   33.197 -20.38101 42.49225 
1 1 1    1   34   15 o   73.607   29.580   11.404   8.6257  -1.3392   12.147   24.364   12.251   58.216   27.927   94.071   35.998 -35.85476 45.56039 
1 1 1    1   34   16 o   73.950   28.986   11.638   8.0856  -1.1587   11.557   23.906   11.316   57.021   27.324   94.809   34.951 -37.78801 44.36420 
1 1 1    1   34   17 o   86.144   30.527   17.075   8.5283   8.3130   11.941   26.200   12.185   66.392   30.478   95.054   36.013 -28.66268 47.17884 
1 1 1    1   34   18 o  122.843   29.256   31.050   9.1761   28.609   13.686   33.043   12.368   92.393   37.214  107.423   36.850 -15.03046 52.37190 
1 1 1    1   34   19 o  132.995   28.178   35.669   9.4056   55.293   14.127   20.046   12.605  145.533   37.302   79.077   34.032 66.45621 50.49398 
1 1 1    1   34   20 o   78.206   29.556   15.204   8.1942   9.7897   10.910   22.210   12.411   64.721   29.492   80.876   34.252 -16.15456 45.19949 
1 1 1    1   34   21 o   35.306   17.783 -15.2513   7.4672 -12.3408   10.530 -18.1953   10.591   44.172   22.088   41.284   20.841 2.888248 30.36813 
1 1 1    1   34   22 o   73.593   31.076   17.152   10.167   14.470   18.718   18.275   12.110   63.367   31.300   71.400   31.931 -8.033394 44.71362 
1 1 1    1   34   23 o   60.657   29.510   11.158   14.793   21.010   19.611  -1.8500   22.534   64.414   31.859   56.072   28.527 8.342308 42.76418 
1 1 1    1   34   24 f   67.421   30.680   17.658   11.756  -1.1200   20.332   27.090   14.410   54.405   27.620   72.954   33.487 -18.54932 43.40786 
1 1 1    1   34   25 o   47.368   22.875   0.2072   8.4718 -16.1600   21.264   3.2955   9.2366   49.872   25.560   51.122   24.479 -1.250221 35.39109 
1 1 1    1   34   26 o   61.383   29.032   15.701   12.205   0.0000   0.0000   15.701   12.205  ?   ?    61.383   29.032 0.000000 29.03197 
1 1 1    1   34   27 o   49.139   24.119   2.1891   10.546 -10.6600   22.413   5.8422   11.951   49.391   25.370   52.153   25.614 -2.761749 36.05162 
1 1 1    1   34   28 o   58.353   26.938   12.700   9.5124   34.780   22.599   7.9451   10.487   58.505   29.639   52.582   25.406 5.922882 39.03814 
1 1 1    1   34   29 o   42.886   21.043  -0.7428   8.0055 -22.7400   19.790   3.5609   8.7537   43.909   22.608   47.246   22.920 -3.336449 32.19350 
1 1 1    1   34   30 o   53.377   25.015   10.778   8.7005 -12.6300   18.231   17.681   9.9007   43.801   22.511   59.716   27.538 -15.91502 35.56777 
1 1 1    1   34   31 o   46.113   23.045   5.7309   11.389   12.010   22.467   3.5593   13.213   47.075   24.230   45.192   22.869 1.882713 33.31826 
1 1 1    1   35    0 o  135.024   25.698   32.086   8.6596   42.101   12.635   23.214   11.892  138.345   35.179   95.427   35.700 42.91764 50.12086 
1 1 1    1   35    1 o   74.113   30.056   11.074   8.9937   15.830   12.824   6.4700   12.617   80.201   34.416   67.791   31.197 12.41032 46.45152 
1 1 1    1   35    2 o   43.548   21.489 -11.5513   8.7437 -17.7393   12.450  -5.5282   12.283   48.459   24.199   55.993   27.160 -7.533844 36.37660 
1 1 1    1   35    3 o   87.808   31.129   16.737   8.8686   28.280   11.691   1.0933   13.611  107.566   35.831   63.121   30.084 44.44488 46.78539 
1 1 1    1   35    4 o   93.728   32.698   20.035   9.7574   11.747   13.935   28.007   13.667   73.836   33.523   99.171   38.005 -25.33573 50.67687 
1 1 1    1   35    5 o   76.419   30.983   12.633   9.5544   10.795   13.755   14.348   13.282   72.461   33.056   76.968   33.985 -4.506538 47.40927 
1 1 1    1   35    6 o   96.878   32.107   20.973   9.3917   9.4579   13.602   31.465   12.984   70.627   32.461  108.030   37.716 -37.40345 49.76222 
1 1 1    1   35    7 o   50.632   24.369  -4.7478   9.4235  -6.0304   14.315  -3.7668   12.519   57.827   28.325   56.997   27.593 0.8295593 39.54335 
1 1 1    1   35    8 o   58.580   26.683   2.9995   8.9190   12.584   12.381  -7.3398   12.859   73.765   32.679   54.673   26.795 19.09220 42.25977 
1 1 1    1   35    9 o   49.588   23.427  -2.1850   7.9068   3.3178   12.095  -6.2916   10.449   62.247   29.274   51.033   24.822 11.21394 38.38129 
1 1 1    1   35   10 o   85.955   31.369   17.235   9.0828   20.690   12.920   13.859   12.772   84.296   35.281   74.289   33.037 10.00737 48.33424 
1 1 1    1   35   11 o   57.713   25.858   3.8137   7.9812  -4.0924   10.834   13.195   11.802   53.035   25.673   73.258   32.204 -20.22293 41.18491 
1 1 1    1   35   12 o  130.888   28.749   34.066   9.4803   28.371   13.190   40.151   13.636   95.301   37.114  118.338   38.661 -23.03722 53.59242 
1 1 1    1   35   13 o   87.152   30.498   17.785   8.4917   4.6286   11.463   33.783   12.641   61.193   28.689  107.881   37.241 -46.68792 47.00969 
1 1 1    1   35   14 o   71.639   27.996   11.333   7.5255   14.808   10.461   7.6066   10.834   74.684   31.528   63.647   29.149 11.03743 42.93841 
1 1 1    1   35   15 o   46.767   22.530  -3.6130   8.1004 -12.9978   12.040   4.1485   10.949   47.535   23.747   58.964   27.768 -11.42865 36.53725 
1 1 1    1   35   16 o   54.507   25.169   3.0142   8.3117   9.9085   12.631  -2.2519   11.039   64.547   30.214   52.477   25.522 12.06997 39.55063 
1 1 1    1   35   17 o   69.127   28.626   12.026   8.3780   17.892   11.571   5.5621   12.146   74.135   32.253   59.220   28.278 14.91524 42.89421 
1 1 1    1   35   18 o   56.366   25.830   5.3358   8.5250   3.0859   11.624   7.9546   12.541   55.758   26.893   60.299   28.777 -4.540581 39.38716 
1 1 1    1   35   19 o   84.681   31.296   21.045   9.0837   6.8582   13.101   34.180   12.606   58.196   28.186   94.586   36.437 -36.39050 46.06620 
1 1 1    1   35   20 o   71.937   31.092   18.537   10.613   5.9550   19.789   23.617   12.574   57.208   28.831   74.377   32.942 -17.16888 43.77691 
1 1 1    1   35   21 o   68.877   32.198   23.893   14.261   27.880   19.492   19.300   20.921   64.965   32.062   60.406   30.337 4.559227 44.13930 
1 1 1    1   35   22 o   70.247   29.776   17.572   9.3919   20.529   11.089   10.070   17.663   70.072   30.991   56.078   28.123 13.99321 41.84930 
1 1 1    1   35   23 o   45.655   22.071   0.1408   7.9410 -14.2258   10.317   21.020   12.438   39.815   20.155   65.694   30.494 -25.87840 36.55265 
1 1 1    1   35   24 o   49.347   24.671   1.2610   13.108   0.0000   0.0000   1.2610   13.108  ?   ?    49.347   24.671 0.000000 24.67089 
1 1 1    1   35   25 o   53.594   25.682   9.1754   10.211   33.380   22.294   2.7503   11.486   57.978   29.379   48.673   24.128 9.304771 38.01730 
1 1 1    1   35   26 o   46.300   22.642   2.2349   9.0339 -10.7500   21.776   4.9344   9.9287   46.780   24.067   48.800   23.837 -2.019722 33.87378 
1 1 1    1   35   27 o   44.699   21.829   1.9985   8.3141   8.3020   22.364   0.9876   8.9560   48.890   25.126   44.281   21.831 4.608875 33.28486 
1 1 1    1   35   28 o   40.494   20.085  -1.6854   8.0046   13.050   21.729  -3.9990   8.6101   48.166   24.754   39.616   19.834 8.549622 31.71991 
1 1 1    1   35   29 o   44.774   21.706   4.8729   7.8160 -16.2300   18.019   9.7638   8.6746   40.943   21.103   49.266   23.625 -8.323627 31.67785 
1 1 1    1   36    0 o   51.568   24.467  -1.2726   8.8015  -3.0327   12.721   0.3435   12.190   55.878   27.225   57.927   27.838 -2.049397 38.93819 
1 1 1    1   36    1 o   70.701   28.806   10.979   8.3078   22.000   12.463   2.1661   11.145   84.880   35.012   58.514   27.695 26.36607 44.64155 
1 1 1    1   36    2 o   77.095   30.092   14.050   8.6863   22.388   11.893   4.5180   12.716   86.959   34.809   62.010   29.417 24.94986 45.57445 
1 1 1    1   36    3 o  103.895   31.865   25.128   9.3919   12.226   13.409   37.554   13.159   69.824   32.144  113.555   38.016 -43.73112 49.78410 
1 1 1    1   36    4 o   93.243   30.298   19.809   8.3782   26.006   12.954   15.353   10.985   90.000   36.221   75.628   32.137 14.37202 48.42254 
1 1 1    1   36    5 o   67.306   28.628   9.7365   8.7324   8.9042   12.405   10.554   12.295   65.793   30.509   67.672   31.014 -1.879578 43.50533 
1 1 1    1   36    6 o   73.037   30.026   12.947   9.1280   20.131   14.048   7.6971   12.008   77.706   34.597   64.108   29.826 13.59768 45.67907 
1 1 1    1   36    7 o  108.665   31.036   26.841   9.1696   6.3295   13.572   44.069   12.438   62.923   30.003  132.396   35.528 -69.47325 46.50187 
1 1 1    1   36    8 o   53.556   24.589   2.3609   7.7755 -12.5281   10.351   21.645   11.780   44.747   22.301   83.296   34.161 -38.54923 40.79587 
1 1 1    1   36    9 f   56.811   26.084   4.0516   8.7501   5.3377   12.379   2.7674   12.370   60.684   28.857   58.404   28.061 2.280453 40.25091 
1 1 1    1   36   10 o   67.424   28.979   11.000   9.1178   3.5767   12.609   19.136   13.201   58.763   28.258   74.891   33.426 -16.12804 43.77021 
1 1 1    1   36   11 o   62.825   27.167   8.4928   8.1101   9.3190   10.993   7.5060   12.014   63.490   29.182   61.520   29.007 1.969746 41.14548 
1 1 1    1   36   12 o   46.131   22.124  -2.2946   7.6117  -0.7124   10.966  -3.7655   10.574   52.787   25.618   49.887   24.416 2.900478 35.39005 
1 1 1    1   36   13 o   53.232   24.570   3.3572   7.9083  -0.9640   11.995   6.6800   10.518   53.063   25.978   58.920   27.578 -5.857830 37.88677 
1 1 1    1   36   14 o   55.285   25.124   5.1864   7.8508   17.451   11.898  -4.2707   10.448   70.246   31.516   48.334   23.780 21.91193 39.48135 
1 1 1    1   36   15 o   56.009   25.657   6.0371   8.3997   4.5130   11.760   7.6247   12.002   55.556   26.858   58.261   27.899 -2.704678 38.72578 
1 1 1    1   36   16 o   65.432   28.349   12.739   8.8666   12.060   12.499   13.427   12.580   61.007   29.006   62.235   29.447 -1.227505 41.33378 
1 1 1    1   36   17 o   51.685   24.963   2.9915   10.098  -1.3520   19.994   4.4789   11.700   53.478   27.174   53.626   26.124 -0.1486015 37.69463 
1 1 1    1   36   18 o   68.760   32.123   25.707   14.161   37.520   20.390   14.700   19.681   66.698   32.894   57.484   28.943 9.213947 43.81407 
1 1 1    1   36   19 o   43.922   21.767  -4.1235   9.3246  -6.6273   10.586   4.5420   19.694   43.977   22.013   52.975   26.923 -8.998356 34.77713 
1 1 1    1   36   20 o   51.813   24.564   6.1073   8.8385   9.3209   12.270   2.6417   12.742   54.161   26.465   49.988   24.885 4.173225 36.32704 
1 1 1    1   36   21 o   71.047   32.137   29.244   12.665   33.780   18.140   24.930   17.691   62.300   30.781   58.482   29.147 3.817776 42.39146 
1 1 1    1   36   22 o   52.739   25.835   10.089   11.915   8.1330   17.114   11.930   16.599   50.879   25.778   52.321   26.373 -1.442047 36.87865 
1 1 1    1   36   23 o   52.366   25.094   9.5784   9.7510   18.250   12.543  -3.6690   15.503   57.114   27.642   45.889   23.376 11.22489 36.20121 
1 1 1    1   36   24 o   48.742   23.650   6.6494   9.3304   32.970   20.948   0.1351   10.421   54.453   27.684   44.338   22.141 10.11539 35.44900 
1 1 1    1   36   25 o   60.847   27.222   17.416   8.8107   61.470   22.204   9.1829   9.5988   59.535   30.069   49.679   24.077 9.855553 38.52098 
1 1 1    1   36   26 o   32.161   16.484 -20.0023   8.8521 -32.2600   21.296 -17.4421   9.7327   40.197   20.817   34.379   17.596 5.817986 27.25751 
1 1 1    1   36   27 o   55.513   26.186   19.152   9.8123   22.660   22.517   18.329   10.902   46.302   23.853   52.344   25.435 -6.042717 34.87014 
1 1 1    1   37    0 f  132.974   29.044   38.450   9.7240   32.783   14.122   43.559   13.410   88.786   36.999  114.094   38.376 -25.30820 53.30686 
1 1 1    1   37    1 f   57.041   26.150   5.4641   8.7493 -13.8889   12.389   24.721   12.358   46.252   23.244   82.006   34.424 -35.75412 41.53699 
1 1 1    1   37    2 o   87.673   31.288   20.982   8.9742   36.711   13.463   8.4035   12.039   98.726   37.746   61.122   28.886 37.60386 47.53075 
1 1 1    1   37    3 o  134.659   27.529   37.851   9.2783   15.454   13.591   57.400   12.697   67.324   31.459  154.538   32.738 -87.21412 45.40281 
1 1 1    1   37    4 o   73.531   29.755   15.074   8.7933   21.992   12.736   8.7719   12.156   76.008   33.432   61.104   28.922 14.90398 44.20589 
1 1 1    1   37    5 o   81.623   30.703   18.728   8.8190   22.773   13.213   15.478   11.843   75.540   33.598   68.411   30.999 7.128876 45.71393 
1 1 1    1   37    6 o   89.890   29.965   20.735   8.1759   10.601   12.389   28.554   10.882   62.178   29.359   94.230   34.344 -32.05171 45.18290 
1 1 1    1   37    7 o   68.358   28.943   13.215   8.8579   20.939   12.678   5.8477   12.381   73.033   32.666   57.513   27.744 15.52045 42.85756 
1 1 1    1   37    8 f   59.186   26.363   7.9671   8.1664   1.3839   10.936   16.265   12.278   52.703   25.579   67.189   30.867 -14.48573 40.08790 
1 1 1    1   37    9 o   34.810   17.590 -15.7877   7.6519 -13.3771   11.726 -17.5757   10.099   44.216   22.272   39.509   19.993 4.706749 29.92929 
1 1 1    1   37   10 o   46.466   22.382  -0.9492   7.9895   1.0362   11.278  -2.9491   11.320   51.773   25.314   49.043   24.246 2.730980 35.05258 
1 1 1    1   37   11 f   56.006   25.082   6.9218   7.5004 -10.3597   10.284   26.558   10.963   42.854   21.487   83.621   33.438 -40.76735 39.74648 
1 1 1    1   37   12 o   43.888   21.394  -2.6156   7.8837   10.333   11.925 -12.6697   10.508   58.083   27.812   41.646   20.991 16.43639 34.84450 
1 1 1    1   37   13 o   53.043   24.962   5.7539   8.8196  -7.2755   12.750   17.708   12.213   46.509   23.401   63.945   29.860 -17.43559 37.93720 
1 1 1    1   37   14 o   49.796   24.289   2.5783   10.204 -15.6300   19.697   9.2575   11.930   47.920   24.562   55.358   26.832 -7.437809 36.37671 
1 1 1    1   37   15 f   50.084   24.787   2.9390   11.943   13.430   19.696  -3.1620   15.020   54.760   27.734   48.466   24.509 6.293987 37.01147 
1 1 1    1   37   16 o   51.413   24.931   6.3005   10.330   7.4450   12.352   3.6370   18.844   52.181   25.709   50.875   25.903 1.306221 36.49482 
1 1 1    1   37   17 o   50.979   24.357   6.6073   9.0398  -0.2580   12.269   14.760   13.370   46.972   23.540   55.583   27.257 -8.610779 36.01470 
1 1 1    1   37   18 o   55.132   26.045   11.749   9.7727   19.860   16.874   7.6549   11.988   54.828   27.495   50.597   25.003 4.230473 37.16349 
1 1 1    1   37   19 o   39.524   19.975  -9.0120   9.8933   0.0166   14.748 -16.3993   13.340   46.556   23.624   40.472   20.705 6.084377 31.41338 
1 1 1    1   37   20 o   35.975   18.212 -11.1262   8.4326 -18.3554   9.6532   12.160   17.325   34.978   17.872   49.809   25.308 -14.83105 30.98231 
1 1 1    1   37   21 o   39.153   19.713  -6.0406   9.1319  -7.9762   10.842  -1.3160   16.940   40.027   20.305   45.147   23.115 -5.119556 30.76693 
1 1 1    1   37   22 o   48.897   23.490   8.5400   8.6609  -4.5394   12.094   22.310   12.409   41.640   21.156   55.940   27.172 -14.30000 34.43666 
1 1 1    1   37   23 o   41.396   20.621   0.5255   8.8075  -0.5757   12.554   1.5929   12.360   42.447   21.565   43.224   21.900 -0.7770805 30.73558 
1 1 1    1   37   24 o   43.616   21.827   5.2132   10.375   34.330   20.609  -4.6709   12.007   48.828   25.035   39.822   20.311 9.006340 32.23798 
1 1 1    1   37   25 o   46.457   22.389   9.3995   8.0165 -18.2600   21.409   13.910   8.6455   39.410   20.424   50.225   23.948 -10.81540 31.47476 
1 1 1    1   38    0 o   53.433   24.567   5.9261   7.7992   1.8204   10.265   11.533   11.995   50.162   24.444   58.599   28.015 -8.436909 37.17961 
1 1 1    1   38    1 o   53.386   24.973   5.8375   8.6030   18.058   11.664  -8.7416   12.740   65.721   30.153   46.056   23.201 19.66568 38.04567 
1 1 1    1   38    2 o   57.438   26.358   9.0489   8.9191   0.7684   12.574   17.434   12.653   50.707   25.155   63.376   29.847 -12.66866 39.03380 
1 1 1    1   38    3 o   62.717   27.121   11.834   8.0839   17.036   12.162   7.7167   10.820   63.393   29.666   55.177   26.440 8.215332 39.73818 
1 1 1    1   38    4 o   71.975   28.818   16.499   8.1543   11.384   10.903   22.992   12.285   58.504   27.599   69.594   31.550 -11.08963 41.91806 
1 1 1    1   38    5 o   58.665   26.570   10.289   8.6889   1.0791   12.318   19.408   12.258   50.160   24.886   64.969   30.196 -14.80893 39.12960 
1 1 1    1   38    6 o   50.053   23.778   3.8892   8.3649  -1.6339   12.699   8.1220   11.117   48.576   24.285   54.575   26.317 -5.999809 35.80993 
1 1 1    1   38    7 f   36.412   18.372 -12.7744   8.1676 -33.5711   11.401   9.1480   11.706   34.960   17.965   54.846   26.583 -19.88591 32.08390 
1 1 1    1   38    8 o   38.612   19.240  -7.2494   7.6886  -1.9576   10.836 -12.6157   10.911   46.367   23.060   40.982   20.743 5.385101 31.01712 
1 1 1    1   38    9 o   43.652   21.271  -0.8658   7.7714  -3.7765   11.336   1.7156   10.675   45.379   22.725   48.225   23.786 -2.845207 32.89680 
1 1 1    1   38   10 o   66.450   29.853   20.808   10.714   9.2610   18.797   26.365   13.039   52.167   26.491   66.571   31.008 -14.40364 40.78355 
1 1 1    1   38   11 o   41.466   20.898  -8.1045   10.400   4.2800   18.690 -13.6591   12.517   50.056   25.514   41.506   21.130 8.549965 33.12779 
1 1 1    1   38   12 o   51.673   25.586   9.4450   12.778   14.710   19.222   5.2760   17.105   52.257   26.563   49.587   25.190 2.670361 36.60765 
1 1 1    1   38   13 o   49.615   24.285   6.7408   10.463   8.6936   12.718   2.6500   18.407   50.531   25.107   48.262   24.661 2.269512 35.19245 
1 1 1    1   38   14 o   43.559   21.552  -0.0291   9.0065  -8.7035   12.864   8.3126   12.614   42.261   21.505   49.615   24.709 -7.354439 32.75721 
1 1 1    1   38   15 o   41.403   20.682  -2.7376   9.1265 -12.1900   15.263   2.5232   11.386   42.280   21.668   45.758   22.894 -3.478745 31.52229 
1 1 1    1   38   16 o   48.152   23.700   7.4836   10.410  -2.4800   13.241   23.610   16.846   43.649   22.173   52.775   26.597 -9.126179 34.62721 
1 1 1    1   38   17 o   52.456   25.148   13.051   9.8158   13.932   12.157   11.400   16.637   50.784   25.111   47.858   24.364 2.926022 34.98810 
1 1 1    1   38   18 o   39.854   20.086  -3.8672   9.6135  -0.7102   11.962  -9.6250   16.155   42.674   21.613   41.707   21.429 0.9673424 30.43544 
1 1 1    1   38   19 o   39.128   19.771  -4.3519   9.6560 -12.4895   11.830   11.890   16.713   37.894   19.395   46.274   23.633 -8.379753 30.57269 
1 1 1    1   38   20 o   46.552   22.989   9.6257   10.075   18.301   12.244  -8.5700   17.732   50.182   24.882   41.027   21.137 9.155167 32.64823 
1 1 1    1   38   21 o   40.886   20.398   2.2909   8.7552   11.782   11.479 -10.9105   13.538   45.903   22.969   38.187   19.620 7.715389 30.20838 
1 1 1    1   38   22 o   47.002   22.680   11.051   8.2887   11.877   10.465   9.6595   13.577   45.371   22.581   42.994   21.899 2.377373 31.45599 
1 1 1    1   38   23 f   37.637   18.925   0.2022   8.2688  -0.8271   10.974   1.5540   12.576   38.214   19.485   39.323   20.117 -1.108894 28.00600 
1 1 1    1   39    0 o   73.531   31.285   27.134   10.434   17.000   17.923   32.330   12.833   52.363   26.513   69.604   31.821 -17.24062 41.41867 
1 1 1    1   39    1 o   38.760   19.513  -8.0993   8.9352  -5.8700   15.797  -9.1481   10.835   45.169   23.061   40.621   20.573 4.547794 30.90411 
1 1 1    1   39    2 o   72.544   30.246   23.704   9.4446   46.210   16.112   11.923   11.657   70.507   33.350   52.767   25.786 17.74044 42.15630 
1 1 1    1   39    3 o   53.849   25.835   12.215   10.401   13.540   17.586   11.502   12.899   51.010   25.875   51.657   25.600 -0.6475258 36.39886 
1 1 1    1   39    4 o   43.905   21.894  -0.7239   10.040   24.440   17.968 -12.1467   12.106   54.349   27.401   40.487   20.628 13.86156 34.29715 
1 1 1    1   39    5 o   50.217   24.249   8.1726   9.5170 -21.0900   17.277   20.920   11.403   41.860   21.530   60.159   28.333 -18.29983 35.58509 
1 1 1    1   39    6 o   44.320   22.275  -0.6340   11.389  -2.3060   15.425   1.3700   16.887   45.240   23.070   46.614   23.802 -1.373432 33.14793 
1 1 1    1   39    7 o   46.665   23.432   4.1347   12.460   24.070   17.295 -17.3800   17.967   53.410   26.922   42.455   21.843 10.95559 34.66829 
1 1 1    1   39    8 o   42.504   21.293  -1.4855  10.0000   11.113   12.409 -24.8300   16.891   49.945   24.813   40.223   20.719 9.721619 32.32556 
1 1 1    1   39    9 o   43.078   21.518   0.1925   9.8743 -10.2372   12.902   14.940   15.342   40.669   20.770   49.956   25.203 -9.287037 32.65810 
1 1 1    1   39   10 o   38.702   19.619  -8.0204   10.006   6.2600   16.639 -16.1101   12.523   46.328   23.654   38.341   19.648 7.987118 30.74997 
1 1 1    1   39   11 o   45.507   22.396   5.2342   9.2904   4.1120   13.744   6.1782   12.606   45.105   22.879   45.930   23.130 -0.8250389 32.53389 
1 1 1    1   39   12 o   44.309   22.147   4.0009   10.538   4.0000   14.436   4.0020   15.419   44.624   22.715   44.679   22.809 -0.5480194E-01 32.19061 
1 1 1    1   39   13 o   43.601   21.694   3.7540   9.6313  -2.1873   12.961   11.080   14.393   41.835   21.317   46.549   23.590 -4.714088 31.79455 
1 1 1    1   39   14 f   39.182   19.602  -1.5773   8.3360  -7.6982   11.546   5.0870   12.048   38.847   19.823   43.948   22.191 -5.100628 29.75587 
1 1 1    1   39   15 o   34.526   17.510  -8.7644   8.0288 -16.3634   11.988  -2.5843   10.811   36.255   18.620   39.872   20.232 -3.616699 27.49607 
1 1 1    1   39   16 o   39.735   19.718   1.1090   7.7464  -2.5618   11.074   4.6264   10.840   39.512   20.092   42.549   21.430 -3.036850 29.37548 
1 1 1    1   39   17 o   29.785   15.263 -16.8174   7.5484  -6.5602   10.298 -28.7277   11.097   37.015   18.873   31.764   16.381 5.251066 24.99080 
1 1 1    1   39   18 o   49.148   23.780   15.533   9.2680   9.1655   12.711   22.760   13.542   42.630   21.662   47.498   23.927 -4.867985 32.27582 
1 1 1    1   39   19 o   45.127   22.346   12.879   9.7544   19.751   13.182   4.5610   14.502   45.341   22.932   40.160   20.618 5.181850 30.83792 
1 1 1    1   39   20 o   35.906   18.198  -1.9350   8.5824  -5.2196   13.521   0.2814   11.107   36.903   18.985   37.738   19.273 -0.8350143 27.05295 
1 1 1    1   39   21 o   57.953   26.774   29.348   9.4226   55.635   13.815   6.4785   12.885   58.931   28.635   38.688   19.833 20.24295 34.83246 
1 1 1    1   40    0 o   48.411   24.270   15.733   13.102   11.250   18.047   20.730   19.053   45.226   23.205   47.095   24.141 -1.868328 33.48481 
1 1 1    1   40    1 o   44.257   22.340   5.9624   12.147   9.2010   16.102   1.6850   18.505   44.963   22.982   43.259   22.252 1.703438 31.98952 
1 1 1    1   40    2 o   36.591   18.686 -11.2882   10.423 -26.6600   14.385   5.7020   15.123   36.257   18.696   43.992   22.469 -7.735020 29.22946 
1 1 1    1   40    3 o   49.152   24.471   16.415   12.335   10.300   18.126   21.690   16.834   44.803   23.004   48.076   24.478 -3.272648 33.59114 
1 1 1    1   40    4 o   40.626   20.716  -2.9483   12.423  -2.1490   17.956  -3.6820   17.205   42.190   21.713   41.774   21.486 0.4165230 30.54706 
1 1 1    1   40    5 o   38.754   19.835  -8.4103   12.381   4.7680   17.597 -21.3300   17.423   43.318   22.264   38.668   19.965 4.649384 29.90414 
1 1 1    1   40    6 o   47.161   23.589   13.651   12.047  -1.2800   16.034   33.010   18.257   41.670   21.406   49.574   25.264 -7.904392 33.11329 
1 1 1    1   40    7 o   45.601   22.605   9.3960   10.080   14.643   12.364  -1.0060   17.407   47.124   23.618   41.692   21.453 5.432533 31.90693 
1 1 1    1   40    8 o   45.904   22.728   10.332   10.077   21.532   12.819  -7.7850   16.304   49.859   24.844   39.929   20.557 9.930565 32.24565 
1 1 1    1   40    9 o   49.778   24.149   15.395   9.7194   16.877   12.347   12.980   15.760   47.477   23.767   44.263   22.633 3.214207 32.81946 
1 1 1    1   40   10 o   37.528   18.876  -1.9193   8.2615  -5.0635   11.390   1.5713   12.001   38.153   19.487   40.640   20.690 -2.487202 28.42228 
1 1 1    1   40   11 o   48.661   23.335   13.017   8.4635   3.9606   11.113   25.526   13.060   41.097   20.816   49.937   24.913 -8.839622 32.46481 
1 1 1    1   40   12 o   50.430   23.882   14.925   8.3100  -2.2010   11.258   35.430   12.318   38.375   19.582   57.355   27.669 -18.97937 33.89708 
1 1 1    1   40   13 o   41.258   20.602   5.8825   9.0192   9.5289   13.024   2.5223   12.502   41.938   21.370   39.730   20.303 2.208607 29.47655 
1 1 1    1   40   14 o   44.092   21.845   11.490   9.3700   9.1615   13.215   13.844   13.287   41.137   21.010   42.615   21.702 -1.478271 30.20605 
1 1 1    1   40   15 o   38.338   19.368   2.7319   9.2465  -5.2240   13.286   10.205   12.876   36.773   18.913   40.823   20.841 -4.049828 28.14278 
1 1 1    1   40   16 o   34.703   17.681  -3.8108   8.8915   7.1653   12.730 -14.2667   12.425   39.166   20.052   33.943   17.497 5.223206 26.61236 
1 1 1    1   40   17 o   37.089   18.800   2.9894   9.1749   11.978   11.006 -17.4800   16.610   40.496   20.534   34.586   17.926 5.910519 27.25754 
1 1 1    1   40   18 o   36.447   18.512   3.3304   9.2134  -2.1297   11.019   16.020   16.798   34.889   17.915   38.441   19.837 -3.552120 26.72983 
1 1 1    1   41    0 o   38.015   19.025   1.6989   7.8852   10.316   10.696  -8.5597   11.670   42.430   21.360   35.791   18.382 6.638454 28.18005 
1 1 1    1   41    1 o   42.281   20.938   8.0798   8.5669   2.8778   11.549   14.444   12.774   39.187   19.981   43.043   21.856 -3.856144 29.61310 
1 1 1    1   41    2 f   43.041   21.357   9.7500   9.0825   9.2834   12.656   10.246   13.042   41.211   21.005   41.424   21.132 -0.2131348 29.79547 
1 1 1    1   41    3 o   36.150   18.329  -2.2913   8.7649  -3.7588   12.543  -0.8910   12.253   37.291   19.147   37.988   19.465 -0.6966095 27.30365 
1 1 1    1   41    4 o   41.327   20.519   7.0584   8.4352   6.5588   12.655   7.4578   11.316   40.098   20.486   40.624   20.622 -0.5266304 29.06765 
1 1 1    1   41    5 o   47.176   22.808   14.457   8.4817   1.8763   11.874   27.563   12.119   38.473   19.671   49.229   24.468 -10.75563 31.39489 
1 1 1    1   41    6 f   40.993   20.333   7.0036   8.2017   1.2907   11.021   14.094   12.278   37.967   19.374   42.377   21.509 -4.410217 28.94750 
1 1 1    1   41    7 o   38.877   19.531   4.3141   8.7093  -8.3074   12.003   18.348   12.657   35.330   18.160   43.408   22.011 -8.077671 28.53578 
1 1 1    1   41    8 o   49.111   23.723   19.482   9.1261   16.270   13.298   22.341   12.547   41.847   21.347   44.693   22.577 -2.845364 31.07095 
1 1 1    1   41    9 o   43.463   21.565   13.423   9.2563  -2.2101   13.004   29.480   13.179   36.548   18.793   46.302   23.359 -9.754379 29.98042 
1 1 1    1   41   10 f   39.461   19.855   7.5184   9.1774   8.0657   12.522   6.8831   13.490   38.757   19.846   38.311   19.679 0.4460983 27.94857 
1 1 1    1   41   11 o   31.801   16.291  -8.8080   8.5225  -9.3904   11.254  -8.0249   13.050   33.561   17.268   34.611   17.846 -1.050732 24.83244 
1 1 1    1   41   12 o   57.200   26.238   28.691   8.8249   28.974   11.894   28.345   13.162   45.903   23.028   43.604   22.146 2.298298 31.94892 
1 1 1    1   41   13 o   33.894   17.294  -1.4752   8.7736   7.6414   12.496 -10.3380   12.321   37.003   19.004   33.042   17.049 3.960632 25.53100 
1 1 1    1   41   14 o   34.804   17.746   2.0344   9.1048   24.756   13.027 -19.6640   12.730   40.710   20.797   31.203   16.157 9.507301 26.33588 
1 1 1    1   41   15 o   35.095   17.896   4.4662   9.2790  -6.8776   12.870   16.747   13.391   32.788   16.937   37.429   19.235 -4.640434 25.62905 
1 1 1    1   42    0 o   40.612   20.303   13.206   8.8722   14.394   12.802   12.108   12.307   38.178   19.585   37.758   19.358 0.4202728 27.53721 
1 1 1    1   42    1 o   33.561   17.107  -1.0353   8.4038  -0.9769   12.165  -1.0885   11.623   34.530   17.776   34.414   17.699 0.1153297 25.08459 
1 1 1    1   42    2 o   38.821   19.477   9.8009   8.5149   4.4921   11.846   15.476   12.248   35.740   18.363   38.654   19.780 -2.913803 26.98970 
1 1 1    1   42    3 o   33.807   17.202   0.0230   8.2168   16.719   11.791 -15.7389   11.457   39.202   20.007   31.159   16.091 8.043688 25.67517 
1 1 1    1   42    4 o   35.831   18.164   4.7055   8.5781  -8.8146   11.418   22.227   12.998   32.381   16.695   39.797   20.366 -7.416462 26.33469 
1 1 1    1   42    5 o   38.934   19.575   11.438   8.8357   6.4629   11.993   17.343   13.067   35.775   18.387   38.174   19.597 -2.398655 26.87190 
1 1 1    1   42    6 o   33.009   16.894  -1.4465   8.9605  -4.9794   12.682   2.0756   12.662   33.183   17.129   34.534   17.795 -1.350544 24.69913 
1 1 1    1   42    7 o   31.103   15.972  -6.3359   8.7696  -7.4599   12.847  -5.3553   12.000   32.553   16.819   32.701   16.871 -0.1477356 23.82232 
1 1 1    1   42    8 o   32.991   16.845   0.3389   8.4390   1.7943   12.901  -0.7498   11.157   33.893   17.486   33.201   17.088 0.6924973 24.44975 
1 1 1    1   42    9 o   32.776   16.767   0.4824   8.7336  -0.3816   12.705   1.2565   12.026   33.120   17.098   33.377   17.206 -0.2568741 24.25641 
1 1 1    1   42   10 o   32.226   16.489   0.1325   8.4854  -6.8243   11.852   7.4498   12.155   31.434   16.238   34.240   17.633 -2.805691 23.97093 
1 1 1    1   42   11 o   31.487   16.117  -0.5635   8.1897   2.8023   10.917  -4.8966   12.386   32.800   16.883   31.481   16.274 1.318422 23.44933 
1 1 1    1   43    0 o   30.854   15.852   0.9676   8.8385   5.9949   12.578  -3.9363   12.423   31.917   16.495   30.367   15.732 1.550116 22.79423 
1 1 1    1   43    1 o   31.829   16.436   5.2957   11.890   0.0000   0.0000   5.2957   11.890  ?   ?    31.829   16.436 0.000000 16.43559 
1 1 1    1   43    2 o   28.875   14.863  -5.4305   8.4504  -8.9396   11.987  -1.9633   11.915   29.477   15.276   30.521   15.799 -1.043606 21.97657 
1 1 1    1   43    3 o   29.681   15.261  -2.3129   8.5507   2.6558   11.938  -7.5479   12.253   31.189   16.117   29.650   15.368 1.538954 22.26976 
1 1 1    2    0    0 o  642.039   12.590  534.735   20.919  534.735   20.919  534.735   20.919  642.039   12.590  642.039   12.590 0.000000 0.000000 
1 1 1    2    0    1 o  843.552   14.418  922.958   31.483  922.958   31.483  922.958   31.483  843.552   14.418  843.552   14.418 0.000000 0.000000 
1 1 1    2    0    2 o  380.159   10.719  187.684   10.536  187.684   10.536  187.684   10.536  380.159   10.719  380.159   10.719 0.000000 0.000000 
1 1 1    2    0    3 o  440.378   11.134  251.743   12.682  251.743   12.682  251.743   12.682  440.378   11.134  440.378   11.134 0.000000 0.000000 
1 1 1    2    0    4 o  786.735   13.938  802.850   28.385  802.850   28.385  802.850   28.385  786.735   13.938  786.735   13.938 0.000000 0.000000 
1 1 1    2    0    5 o  108.808   11.630   15.858   3.1834   15.858   3.1834   15.858   3.1834  108.808   11.630  108.808   11.630 0.000000 0.000000 
1 1 1    2    0    6 o  279.395   10.677  101.579   7.7013  101.579   7.7013  101.579   7.7013  279.395   10.677  279.395   10.677 0.000000 0.000000 
1 1 1    2    0    7 o  637.395   12.774  527.089   21.071  527.089   21.071  527.089   21.071  637.395   12.774  637.395   12.774 0.000000 0.000000 
1 1 1    2    0    8 o  726.015   13.570  683.797   25.499  683.797   25.499  683.797   25.499  726.015   13.570  726.015   13.570 0.000000 0.000000 
1 1 1    2    0    9 o  283.647   11.074  104.721   8.1079  104.721   8.1079  104.721   8.1079  283.647   11.074  283.647   11.074 0.000000 0.000000 
1 1 1    2    0   10 o  724.625   13.684  681.244   25.664  681.244   25.664  681.244   25.664  724.625   13.684  724.625   13.684 0.000000 0.000000 
1 1 1    2    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   12 o  758.084   14.085  745.728   27.637  745.728   27.637  745.728   27.637  758.084   14.085  758.084   14.085 0.000000 0.000000 
1 1 1    2    0   13 o  394.828   11.915  202.597   12.161  202.597   12.161  202.597   12.161  394.828   11.915  394.828   11.915 0.000000 0.000000 
1 1 1    2    0   14 o  259.924   12.371   88.180   8.2859   88.180   8.2859   88.180   8.2859  259.924   12.371  259.924   12.371 0.000000 0.000000 
1 1 1    2    0   15 o   26.791   18.406  -2.9396   4.1512  -2.9396   4.1512  -2.9396   4.1512   26.791   18.406   26.791   18.406 0.000000 0.000000 
1 1 1    2    0   16 o  113.877   21.631   18.587   5.7110   18.587   5.7110   18.587   5.7110  113.877   21.631  113.877   21.631 0.000000 0.000000 
1 1 1    2    0   17 o  410.312   12.561  219.182   13.322  219.182   13.322  219.182   13.322  410.312   12.561  410.312   12.561 0.000000 0.000000 
1 1 1    2    0   18 o  732.461   14.282  697.551   27.074  697.551   27.074  697.551   27.074  732.461   14.282  732.461   14.282 0.000000 0.000000 
1 1 1    2    0   19 o  310.852   13.158  126.033   10.552  126.033   10.552  126.033   10.552  310.852   13.158  310.852   13.158 0.000000 0.000000 
1 1 1    2    0   20 o  196.908   16.252   51.327   8.1593   51.327   8.1593   51.327   8.1593  196.908   16.252  196.908   16.252 0.000000 0.000000 
1 1 1    2    0   21 o   98.570   43.639   18.270   11.742   18.270   11.742   18.270   11.742   98.570   43.639   98.570   43.639 0.000000 0.000000 
1 1 1    2    0   22 o  354.676   18.834  164.600   17.191  164.600   17.191  164.600   17.191  354.676   18.834  354.676   18.834 0.000000 0.000000 
1 1 1    2    0   23 o  576.463   20.562  433.000   30.615  433.000   30.615  433.000   30.615  576.463   20.562  576.463   20.562 0.000000 0.000000 
1 1 1    2    0   24 o  818.054   15.601  868.904   33.032  868.904   33.032  868.904   33.032  818.054   15.601  818.054   15.601 0.000000 0.000000 
1 1 1    2    0   25 f  604.724   14.048  475.010   21.978  475.010   21.978  475.010   21.978  604.724   14.048  604.724   14.048 0.000000 0.000000 
1 1 1    2    0   26 o  563.532   14.146  412.702   20.620  412.702   20.620  412.702   20.620  563.532   14.146  563.532   14.146 0.000000 0.000000 
1 1 1    2    0   27 o  303.633   15.656  120.609   12.239  120.609   12.239  120.609   12.239  303.633   15.656  303.633   15.656 0.000000 0.000000 
1 1 1    2    0   28 o   65.707   36.283   7.8385   9.0019   7.8385   9.0019   7.8385   9.0019   65.707   36.283   65.707   36.283 0.000000 0.000000 
1 1 1    2    0   29 o   50.554   32.252   0.8457   9.3685   0.8457   9.3685   0.8457   9.3685   50.554   32.252   50.554   32.252 0.000000 0.000000 
1 1 1    2    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   31 o  229.702   19.229   70.217   11.257   70.217   11.257   70.217   11.257  229.702   19.229  229.702   19.229 0.000000 0.000000 
1 1 1    2    0   32 o  294.244   17.215  114.057   13.018  114.057   13.018  114.057   13.018  294.244   17.215  294.244   17.215 0.000000 0.000000 
1 1 1    2    0   33 o  127.182   37.558   26.420   10.757   26.420   10.757   26.420   10.757  127.182   37.558  127.182   37.558 0.000000 0.000000 
1 1 1    2    0   34 o  149.405   31.698   33.360   10.787   33.360   10.787   33.360   10.787  149.405   31.698  149.405   31.698 0.000000 0.000000 
1 1 1    2    0   35 o   43.213   28.865  -2.4592   8.8678  -2.4592   8.8678  -2.4592   8.8678   43.213   28.865   43.213   28.865 0.000000 0.000000 
1 1 1    2    0   36 o   76.789   37.962   12.059   9.0714   12.059   9.0714   12.059   9.0714   76.789   37.962   76.789   37.962 0.000000 0.000000 
1 1 1    2    0   37 o  293.425   17.504  114.771   13.195  114.771   13.195  114.771   13.195  293.425   17.504  293.425   17.504 0.000000 0.000000 
1 1 1    2    0   38 o   42.090   28.333  -2.8026   8.8487  -2.8026   8.8487  -2.8026   8.8487   42.090   28.333   42.090   28.333 0.000000 0.000000 
1 1 1    2    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   40 o   85.314   40.201   15.847   10.017   15.847   10.017   15.847   10.017   85.314   40.201   85.314   40.201 0.000000 0.000000 
1 1 1    2    0   41 o   47.071   30.661   1.0038   9.0573   1.0038   9.0573   1.0038   9.0573   47.071   30.661   47.071   30.661 0.000000 0.000000 
1 1 1    2    0   42 o   83.881   41.060   16.393   10.569   16.393   10.569   16.393   10.569   83.881   41.060   83.881   41.060 0.000000 0.000000 
1 1 1    2    0   43 o   97.453   43.309   21.849   11.563   21.849   11.563   21.849   11.563   97.453   43.309   97.453   43.309 0.000000 0.000000 
1 1 1    2    0   44 o   67.563   42.741   11.370   16.051   11.370   16.051   11.370   16.051   67.563   42.741   67.563   42.741 0.000000 0.000000 
1 1 1    2    0   45 o   42.650   29.969  -7.3300   12.775  -7.3300   12.775  -7.3300   12.775   42.650   29.969   42.650   29.969 0.000000 0.000000 
1 1 1    2    0   46 o   49.857   33.362   2.6061   11.938   2.6061   11.938   2.6061   11.938   49.857   33.362   49.857   33.362 0.000000 0.000000 
1 1 1    2    0   47 o   70.718   43.863   18.900   16.045   18.900   16.045   18.900   16.045   70.718   43.863   70.718   43.863 0.000000 0.000000 
1 1 1    2    0   48 o   56.748   38.126   9.5770   15.876   9.5770   15.876   9.5770   15.876   56.748   38.126   56.748   38.126 0.000000 0.000000 
1 1 1    2    0   49 o   60.315   38.077   13.777   12.666   13.777   12.666   13.777   12.666   60.315   38.077   60.315   38.077 0.000000 0.000000 
1 1 1    2    0   50 o   43.455   30.446   0.9379   12.905   0.9379   12.905   0.9379   12.905   43.455   30.446   43.455   30.446 0.000000 0.000000 
1 1 1    2    1    0 o  746.474   9.5477  722.064   18.461  721.753   26.101  722.375   26.116  746.120   13.505  746.442   13.507 -0.3214722 19.10029 
1 1 1    2    1    1 o  395.378   8.8410  202.553   9.0545  204.749   11.106  198.200   15.638  397.472   10.787  390.928   15.443 6.544312 18.83683 
1 1 1    2    1    2 o  290.870   7.2964  109.610   5.4974  114.184   7.8505  105.208   7.7007  296.834   10.210  284.924   10.434 11.90942 14.59851 
1 1 1    2    1    3 o  405.454   7.7196  212.987   8.1075  212.623   11.463  213.352   11.468  405.038   10.926  405.731   10.912 -0.6937561 15.44194 
1 1 1    2    1    4 o  439.377   7.9032  250.123   8.9947  243.040   12.611  257.458   12.833  433.030   11.243  445.693   11.116 -12.66293 15.81024 
1 1 1    2    1    5 o  549.960   8.4759  391.894   12.074  385.960   16.970  397.977   17.183  545.664   12.006  554.095   11.972 -8.430664 16.95546 
1 1 1    2    1    6 o  799.457   9.9868  828.270   20.681  834.935   29.404  821.745   29.093  802.423   14.147  796.062   14.109 6.360596 19.97975 
1 1 1    2    1    7 o  981.801   11.260  1249.42   28.635  1250.02   40.520  1248.81   40.471  981.653   15.936  981.178   15.924 0.4740601 22.52799 
1 1 1    2    1    8 o  453.147   8.1701  266.062   9.5900  271.186   13.671  261.098   13.456  457.393   11.539  448.804   11.574 8.589203 16.34376 
1 1 1    2    1    9 o  483.313   8.3449  302.675   10.447  301.057   14.755  304.302   14.795  481.909   11.820  484.500   11.788 -2.591400 16.69369 
1 1 1    2    1   10 o  111.650   11.840   16.342   3.3719   12.089   4.0606   25.790   6.0519   95.071   17.119  139.943   17.047 -44.87215 24.15911 
1 1 1    2    1   11 o  435.364   16.779  246.000   18.923   0.0000   0.0000  246.000   18.923  ?   ?   435.364   16.779 0.000000 16.77944 
1 1 1    2    1   12 o  197.944   8.8186   50.779   4.5216   52.876   6.4038   48.695   6.3853  201.551   12.325  193.346   12.822 8.205673 17.78553 
1 1 1    2    1   13 o  622.779   9.2169  502.741   14.868  499.823   20.992  505.680   21.063  620.712   13.056  624.340   13.024 -3.628235 18.44136 
1 1 1    2    1   14 o  463.797   8.6217  278.849   10.358  275.767   14.588  281.982   14.709  461.018   12.216  466.187   12.181 -5.169128 17.25122 
1 1 1    2    1   15 o  333.225   8.4936  143.987   7.3313  144.422   10.220  143.525   10.523  333.539   11.829  332.475   12.219 1.063812 17.00658 
1 1 1    2    1   16 o  208.044   9.5035   56.179   5.1214   52.845   7.2717   59.460   7.2142  201.035   14.052  213.428   13.113 -12.39290 19.22025 
1 1 1    2    1   17 o  247.547   9.3858   79.557   6.0184   83.075   8.6488   76.255   8.3801  252.312   13.280  241.681   13.439 10.63097 18.89377 
1 1 1    2    1   18 o  913.625   11.159  1084.26   26.408  1081.50   37.276  1087.04   37.416  911.123   15.794  913.444   15.813 -2.321045 22.35014 
1 1 1    2    1   19 o  198.570   10.444   51.304   5.3532   48.852   7.9089   53.377   7.2723  193.144   15.951  202.195   13.971 -9.051010 21.20416 
1 1 1    2    1   20 f  554.287   10.909  398.489   15.663  388.667   19.047  419.000   27.525  547.210   13.438  567.580   18.722 -20.36975 23.04525 
1 1 1    2    1   21 o  797.107   21.240  826.500   43.856   0.0000   0.0000  826.500   43.856  ?   ?   797.107   21.240 0.000000 21.24016 
1 1 1    2    1   22 o  325.271   11.289  137.183   9.5118  140.500   16.299  135.470   11.713  328.267   19.253  323.136   13.994 5.131531 23.80108 
1 1 1    2    1   23 o  227.763   16.167   67.679   9.4764   59.801   11.584   83.620   16.477  213.412   21.237  252.092   25.588 -38.68024 33.25284 
1 1 1    2    1   24 o  636.321   11.895  525.115   19.606  531.120   24.148  513.500   33.585  639.735   14.572  628.400   20.633 11.33459 25.25986 
1 1 1    2    1   25 f  577.318   9.9448  432.121   14.872  440.928   21.347  423.816   20.730  582.860   14.139  571.449   14.004 11.41095 19.90092 
1 1 1    2    1   26 o  385.896   10.289  193.113   10.285  186.368   14.323  200.292   14.777  378.854   14.595  392.756   14.525 -13.90201 20.59082 
1 1 1    2    1   27 o  308.114   11.243  123.166   8.9729  135.727   13.303  112.683   12.154  323.165   15.892  294.017   16.019 29.14804 22.56459 
1 1 1    2    1   28 f  428.381   15.176  238.536   16.840  238.536   16.840   0.0000   0.0000  428.381   15.176  ?   ?  0.000000 15.17588 
1 1 1    2    1   29 o  222.844   13.571   64.770   7.7964   71.394   11.486   59.111   10.617  233.228   19.183  212.014   19.552 21.21381 27.39093 
1 1 1    2    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   31 o  824.669   11.275  883.773   24.085  904.338   34.431  864.067   33.705  832.806   15.961  814.044   15.984 18.76160 22.58857 
1 1 1    2    1   32 o  153.097   17.875   31.080   6.9550   39.248   10.972   25.594   8.9924  170.467   25.642  136.841   26.325 33.62567 36.74978 
1 1 1    2    1   33 o  295.498   12.345  113.801   9.4496  109.317   13.516  118.089   13.217  288.014   18.210  299.688   17.097 -11.67432 24.97807 
1 1 1    2    1   34 o  483.697   10.528  304.692   13.191  314.199   18.897  295.657   18.422  489.839   14.894  475.140   14.968 14.69907 21.11527 
1 1 1    2    1   35 o  285.217   11.917  106.229   8.8039  109.869   12.619  102.777   12.289  288.377   16.968  278.842   17.096 9.535767 24.08727 
1 1 1    2    1   36 o  279.533   11.996  102.167   8.6857  103.696   11.934  100.444   12.666  279.970   16.529  275.041   17.875 4.928406 24.34601 
1 1 1    2    1   37 o  240.179   13.285   75.942   8.2330   78.888   11.599   72.951   11.688  242.961   18.571  233.206   19.528 9.754608 26.94879 
1 1 1    2    1   38 o   98.839   26.074   13.896   6.7718   12.920   9.7053   14.823   9.4533   96.891   32.647  102.013   32.083 -5.121773 45.77279 
1 1 1    2    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   40 o  254.661   13.601   86.097   8.9394   68.516   12.627  103.763   12.658  222.569   22.198  277.341   17.712 -54.77174 28.39837 
1 1 1    2    1   41 f   80.569   27.443   8.9446   6.8583   11.238   9.4812   6.4282   9.9326   90.018   32.156   79.481   31.812 10.53729 45.23323 
1 1 1    2    1   42 o  157.088   19.346   34.168   7.7054   37.423   10.805   30.798   10.992  159.902   27.051  142.427   30.699 17.47546 40.91650 
1 1 1    2    1   43 o  112.802   26.583   19.040   7.6400   24.992   11.080   13.645   10.549  125.227   33.501   95.345   33.934 29.88194 47.68494 
1 1 1    2    1   44 o  174.341   23.182   43.897   10.210   45.023   12.659   41.800   17.268  171.370   29.588  152.110   42.294 19.25972 51.61597 
1 1 1    2    1   45 o   98.223   33.012   15.800   9.9227   15.550   18.251   15.905   11.823   99.625   41.828   98.100   35.791 1.525528 55.05119 
1 1 1    2    1   46 o   69.345   29.334   4.1892   9.0855   27.180   16.731  -5.4251   10.820  116.063   42.543   59.795   27.982 56.26781 50.92004 
1 1 1    2    1   47 o   52.536   25.398 -11.3365   10.518  -9.1910   14.456 -13.7500   15.332   64.204   30.711   62.624   30.369 1.580067 43.19063 
1 1 1    2    1   48 o   71.142   31.220   4.1203   11.050   9.9141   13.721  -6.5700   18.638   83.067   35.622   72.438   34.708 10.62854 49.73484 
1 1 1    2    1   49 o   71.687   29.359   7.0525   8.6860   23.606   13.028  -6.1935   11.654  106.343   37.726   58.864   27.994 47.47941 46.97731 
1 1 1    2    1   50 o   75.795   29.199   9.6558   8.0953   2.9852   11.180   17.007   11.737   66.935   30.244   90.936   35.122 -24.00082 46.34939 
1 1 1    2    2    0 o  931.180   10.833  1123.78   26.130  1140.00   37.361  1108.24   36.558  937.555   15.384  924.415   15.267 13.14026 21.67404 
1 1 1    2    2    1 o  337.997   7.4992  148.009   6.5657  150.203   9.3169  145.844   9.2540  340.439   10.565  335.461   10.650 4.977966 15.00134 
1 1 1    2    2    2 o  719.931   9.4326  671.623   17.590  660.494   24.627  683.214   25.134  713.759   13.320  725.928   13.366 -12.16949 18.87025 
1 1 1    2    2    3 o  604.928   8.7803  474.158   13.758  478.877   19.563  469.541   19.352  607.794   12.426  601.841   12.414 5.953125 17.56449 
1 1 1    2    2    4 o  517.868   8.3152  347.484   11.154  338.168   15.597  357.238   15.959  510.773   11.788  524.980   11.736 -14.20691 16.63400 
1 1 1    2    2    5 o  651.431   9.0677  549.884   15.301  537.004   21.374  563.422   21.914  643.598   12.821  659.238   12.833 -15.64001 18.13988 
1 1 1    2    2    6 o  224.811   7.6011   65.480   4.4263   67.873   6.3024   63.150   6.2180  228.844   10.632  220.735   10.875 8.108704 15.20875 
1 1 1    2    2    7 o  882.918   10.591  1010.34   24.221  1021.47   34.543  999.570   33.971  887.453   15.027  877.896   14.939 9.556641 21.18899 
1 1 1    2    2    8 o  300.870   7.8382  117.287   6.1086  116.063   8.6799  118.487   8.5985  299.235   11.198  302.348   10.979 -3.113129 15.68249 
1 1 1    2    2    9 o  450.605   8.2846  263.094   9.6698  263.005   13.705  263.182   13.646  450.425   11.746  450.579   11.692 -0.1533508 16.57322 
1 1 1    2    2   10 o  437.365   11.835  247.990   13.408  234.000   18.823  262.400   19.104  424.622   17.113  449.689   16.400 -25.06750 23.70327 
1 1 1    2    2   11 o  575.253   10.358  428.937   15.434  435.922   19.077  415.700   26.261  579.799   12.702  565.848   17.917 13.95093 21.96236 
1 1 1    2    2   12 o  513.597   8.7036  341.859   11.579  334.129   16.239  349.854   16.515  507.591   12.351  519.402   12.275 -11.81131 17.41315 
1 1 1    2    2   13 o  114.751   12.047   17.266   3.5273   13.474   4.9120   21.304   5.0685  100.086   19.648  127.136   15.726 -27.05036 25.16674 
1 1 1    2    2   14 o  336.147   8.4474  146.478   7.3554  141.298   10.367  151.728   10.437  329.991   12.128  341.971   11.783 -11.98007 16.90959 
1 1 1    2    2   15 o  495.052   8.8225  317.852   11.313  317.954   16.124  317.753   15.878  494.776   12.581  494.641   12.392 0.1356201 17.65922 
1 1 1    2    2   16 o  393.173   8.7104  200.589   8.8709  199.292   12.544  201.887   12.546  391.525   12.369  394.075   12.291 -2.549591 17.43753 
1 1 1    2    2   17 o  326.539   8.9734  138.404   7.5900  148.042   11.083  129.891   10.416  337.348   12.683  315.986   12.725 21.36218 17.96663 
1 1 1    2    2   18 o  772.630   10.304  775.049   20.622  781.189   29.350  769.061   28.981  774.721   14.625  768.703   14.555 6.018860 20.63356 
1 1 1    2    2   19 o  378.810   9.1197  186.105   8.9486  179.075   12.560  193.354   12.753  371.319   13.058  385.864   12.759 -14.54489 18.25681 
1 1 1    2    2   20 o  385.271   12.990  192.627   12.964  217.300   19.063  171.400   17.682  408.828   18.001  362.535   18.894 46.29285 26.09680 
1 1 1    2    2   21 o  497.161   13.159  320.653   16.947  304.200   23.689  337.900   24.254  483.811   18.902  509.956   18.361 -26.14435 26.35189 
1 1 1    2    2   22 o  155.506   14.952   31.670   5.9484   35.097   8.5978   28.523   8.2382  162.993   20.841  146.409   22.438 16.58478 30.62402 
1 1 1    2    2   23 o  633.815   12.113  520.968   19.886  504.455   24.100  556.200   35.202  623.479   14.923  654.070   20.778 -30.59045 25.58120 
1 1 1    2    2   24 o  722.069   12.184  676.231   22.788  651.674   27.349  732.000   41.214  708.587   14.900  750.171   21.209 -41.58429 25.92027 
1 1 1    2    2   25 o  415.617   10.136  223.968   10.912  233.636   15.516  214.507   15.350  424.273   14.118  406.504   14.578 17.76846 20.29347 
1 1 1    2    2   26 o  251.924   11.830   82.337   7.7195   83.343   11.113   81.400   10.731  252.653   17.081  249.724   16.685 2.929291 23.87816 
1 1 1    2    2   27 o  100.580   24.530   13.736   6.3335   15.136   9.1844   12.466   8.7457  106.467   31.255   98.036   30.863 8.430672 43.92455 
1 1 1    2    2   28 o  481.684   10.075  300.987   12.570  294.871   17.756  307.133   17.798  476.363   14.390  486.195   14.132 -9.832520 20.16929 
1 1 1    2    2   29 o  282.760   12.082  103.833   8.8494   99.944   12.256  108.069   12.791  276.507   17.196  287.559   17.253 -11.05246 24.35915 
1 1 1    2    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   31 o  217.617   15.076   62.001   8.4457   74.311   12.127   50.404   11.770  237.460   19.898  194.394   23.876 43.06555 31.08047 
1 1 1    2    2   32 o  375.995   11.211  183.874   10.918  175.699   15.630  191.667   15.259  366.649   16.457  383.168   15.374 -16.51880 22.52101 
1 1 1    2    2   33 o   47.410   22.136  -6.2326   6.7086  -8.7971   9.7301  -3.9089   9.2620   57.103   26.661   61.805   27.762 -4.701557 38.49083 
1 1 1    2    2   34 f  128.879   22.195   22.625   7.1422   21.347   9.8424   24.047   10.380  123.112   30.909  130.630   31.121 -7.517426 43.86190 
1 1 1    2    2   35 o  169.551   16.737   38.194   7.2547   39.738   10.513   36.789   10.024  170.634   24.488  164.126   24.313 6.508347 34.50769 
1 1 1    2    2   36 o  269.510   12.788   95.106   8.9277  101.429   12.690   88.911   12.562  276.381   17.821  258.289   18.907 18.09119 25.98226 
1 1 1    2    2   37 o   90.890   24.858   11.578   6.0209   9.5060   8.2409   13.951   8.8181   86.100   30.049   99.713   30.925 -13.61309 43.11985 
1 1 1    2    2   38 o  186.598   15.366   46.346   7.3612   49.084   10.856   44.016   10.015  189.212   22.597  179.306   22.027 9.906631 31.55632 
1 1 1    2    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   40 o  278.918   12.597  102.709   9.1013   97.804   13.017  107.400   12.730  268.473   18.837  282.257   17.498 -13.78461 25.71039 
1 1 1    2    2   41 o   67.279   26.439   4.4999   6.7424   11.564   10.215  -0.9539   8.9753   91.556   33.289   63.014   27.875 28.54185 43.41856 
1 1 1    2    2   42 o  107.674   27.226   17.290   7.5980   13.295   11.347   20.538   10.230   95.923   35.053  114.823   32.777 -18.89907 47.99033 
1 1 1    2    2   43 o  171.882   22.669   42.102   9.8465   42.553   11.838   41.090   17.737  168.965   28.030  152.264   43.053 16.70068 51.37378 
1 1 1    2    2   44 o  211.272   18.677   62.064   10.116   60.515   11.872   66.170   19.325  205.340   22.701  197.478   39.163 7.862381 45.26617 
1 1 1    2    2   45 o   91.536   34.200   13.135   10.906   0.0000   0.0000   13.135   10.906  ?   ?    91.536   34.200 0.000000 34.19956 
1 1 1    2    2   46 o   58.695   27.266  -4.2749   9.9740 -13.8400   18.140  -0.1300   11.941   68.984   33.351   68.807   31.157 0.1768494 45.64092 
1 1 1    2    2   47 f   71.060   31.400   3.0946   11.358  -6.0490   16.738   10.900   15.464   71.013   33.706   87.232   37.617 -16.21873 50.50895 
1 1 1    2    2   48 o   67.725   29.184   4.0027   9.2943  -0.6310   12.157   10.520   14.418   66.783   30.693   84.322   36.343 -17.53890 47.56942 
1 1 1    2    2   49 o   55.178   25.010  -0.6930   7.7149  -1.9036   9.7475   1.3371   12.623   58.926   27.226   68.673   31.456 -9.747902 41.60176 
1 1 1    2    2   50 o  113.895   30.545   23.701   9.1970   26.332   13.225   21.237   12.798  108.224   38.050   98.143   36.973 10.08110 53.05508 
1 1 1    2    3    0 o  153.439   7.6548   30.503   3.0424   32.487   4.3416   28.588   4.2648  157.965   10.673  148.095   11.200 9.869980 15.47128 
1 1 1    2    3    1 o  346.453   7.6437  155.509   6.8596  158.347   9.7497  152.727   9.6529  349.541   10.768  343.280   10.856 6.260925 15.29060 
1 1 1    2    3    2 o  202.963   7.5072   53.370   3.9468   52.721   5.5804   54.019   5.5828  201.404   10.735  203.884   10.608 -2.480057 15.09213 
1 1 1    2    3    3 o  1082.15   11.984  1517.97   33.592  1520.47   47.580  1515.48   47.434  1082.57   16.967  1080.80   16.943 1.776611 23.97839 
1 1 1    2    3    4 o  352.571   7.8317  161.055   7.1525  165.255   10.192  156.980   10.040  357.074   11.019  348.017   11.137 9.057373 15.66727 
1 1 1    2    3    5 o  370.853   9.0183  178.213   8.6632  164.700   14.795  185.264   10.687  356.325   16.029  378.075   10.913 -21.74960 19.39106 
1 1 1    2    3    6 o  640.993   9.0733  532.413   15.065  523.532   21.111  541.630   21.505  635.461   12.825  646.351   12.844 -10.88934 18.15118 
1 1 1    2    3    7 o  1217.91   13.047  1923.19   41.161  1892.21   57.365  1956.06   59.095  1207.42   18.341  1227.59   18.584 -20.16772 26.11100 
1 1 1    2    3    8 o  454.734   8.2948  267.935   9.7705  266.315   13.800  269.564   13.835  453.253   11.754  456.011   11.713 -2.758026 16.59351 
1 1 1    2    3    9 o  138.840   9.4377   25.097   3.3740   27.679   4.6974   22.344   4.8493  145.569   12.581  130.442   14.602 15.12679 19.27488 
1 1 1    2    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   11 o  601.144   10.459  468.439   16.286  458.785   19.759  488.900   28.765  594.789   12.825  613.604   18.098 -18.81573 22.18099 
1 1 1    2    3   12 o  449.371   8.5461  261.706   9.9477  268.656   14.206  255.019   13.934  455.152   12.049  443.446   12.131 11.70651 17.09813 
1 1 1    2    3   13 o  978.068   11.419  1240.68   28.930  1242.13   40.969  1239.24   40.858  977.958   16.173  976.824   16.148 1.133240 22.85421 
1 1 1    2    3   14 o  373.108   8.5312  180.477   8.2451  179.441   11.764  181.478   11.560  371.842   12.213  373.964   11.933 -2.121399 17.07557 
1 1 1    2    3   15 o  456.376   8.7894  270.160   10.390  270.888   14.775  269.448   14.615  456.639   12.491  455.436   12.389 1.203430 17.59259 
1 1 1    2    3   16 o  684.667   9.7333  608.627   17.262  609.405   24.466  607.857   24.358  684.252   13.804  683.393   13.760 0.8587646 19.49087 
1 1 1    2    3   17 o  371.907   8.8693  179.521   8.5442  186.186   12.497  173.672   11.708  378.316   12.753  365.430   12.369 12.88681 17.76584 
1 1 1    2    3   18 o  162.989   11.278   34.665   4.7322   35.544   6.8758   33.874   6.5227  164.385   16.365  160.510   15.897 3.874893 22.81555 
1 1 1    2    3   19 o  680.399   11.335  600.784   19.978  617.500   35.142  592.802   24.284  688.408   19.707  675.527   13.878 12.88092 24.10348 
1 1 1    2    3   20 o  746.511   20.564  725.200   39.764   0.0000   0.0000  725.200   39.764  ?   ?   746.511   20.564 0.000000 20.56357 
1 1 1    2    3   21 o  516.178   11.118  345.484   14.866  345.579   18.327  345.300   25.417  516.093   13.709  515.460   19.036 0.6331177 23.45907 
1 1 1    2    3   22 o  494.580   9.8430  317.079   12.610  312.241   17.952  321.791   17.717  490.569   14.127  498.039   13.733 -7.469543 19.70230 
1 1 1    2    3   23 o  866.676   11.450  973.970   25.704  976.128   36.571  971.864   36.135  867.114   16.282  865.238   16.123 1.875916 22.91431 
1 1 1    2    3   24 o  416.919   11.615  225.423   12.543  236.434   15.522  204.700   21.293  426.851   14.039  396.174   20.823 30.67642 25.11299 
1 1 1    2    3   25 o  578.819   11.660  434.565   17.482  427.489   21.390  448.800   30.339  573.864   14.390  587.381   19.940 -13.51703 24.58998 
1 1 1    2    3   26 o  213.855   13.758   59.616   7.5807   58.729   11.070   60.399   10.402  211.420   20.471  214.655   18.901 -3.235413 27.86234 
1 1 1    2    3   27 o  773.063   10.913  775.323   21.853  740.973   30.544  811.344   31.278  755.078   15.616  790.178   15.281 -35.09961 21.84925 
1 1 1    2    3   28 f  321.781   11.734  134.406   9.7807  129.292   14.306  138.893   13.403  314.672   17.622  326.808   15.832 -12.13620 23.68930 
1 1 1    2    3   29 o  437.311   10.639  248.220   12.052  246.787   17.489  249.516   16.632  435.520   15.503  438.028   14.658 -2.507690 21.33537 
1 1 1    2    3   30 o  122.113   41.425   18.870   15.627   0.0000   0.0000   18.870   15.627  ?   ?   122.113   41.425 0.000000 41.42531 
1 1 1    2    3   31 o  321.428   11.917  134.337   9.9222  132.983   14.413  135.558   13.680  318.606   17.532  321.900   16.461 -3.294250 24.04861 
1 1 1    2    3   32 o  247.342   13.704   79.991   8.7458   86.011   12.675   74.520   12.083  255.355   19.305  237.463   19.825 17.89206 27.67176 
1 1 1    2    3   33 o  309.574   11.807  124.868   9.4682  120.857   13.674  128.561   13.123  302.999   17.497  312.880   16.248 -9.880951 23.87762 
1 1 1    2    3   34 o  329.499   11.591  141.592   9.8930  129.802   13.717  154.374   14.282  313.818   16.937  342.957   16.077 -29.13922 23.35210 
1 1 1    2    3   35 o  115.926   23.295   18.560   6.7524   18.535   10.008   18.581   9.1484  114.383   32.338  114.595   30.342 -0.2116394 44.34397 
1 1 1    2    3   36 o  121.175   24.164   20.402   7.3184   21.606   10.330   19.189   10.370  122.659   32.129  115.767   32.984 6.892288 46.04573 
1 1 1    2    3   37 o   86.268   27.158   10.193   6.7718   10.329   9.8697   10.071   9.3084   90.846   32.769   89.291   31.866 1.554428 45.70833 
1 1 1    2    3   38 o  160.186   18.115   34.629   7.3843   52.012   10.796   19.344   10.123  195.157   21.724  114.882   32.539 80.27419 39.12436 
1 1 1    2    3   39 o  124.410   37.580   23.750   13.132   0.0000   0.0000   23.750   13.132  ?   ?   124.410   37.580 0.000000 37.58033 
1 1 1    2    3   40 o   36.318   17.942 -13.0313   6.1584 -10.0150   8.6322 -16.1579   8.7887   49.934   23.843   44.842   22.012 5.091465 32.44973 
1 1 1    2    3   41 o  126.639   22.286   22.721   7.0435   21.284   9.7774   24.271   10.155  118.149   31.408  126.345   31.213 -8.195648 44.27993 
1 1 1    2    3   42 o  304.055   15.026  123.894   11.834  113.792   14.506  144.000   20.464  287.492   19.596  317.732   25.068 -30.23962 31.81800 
1 1 1    2    3   43 o   92.779   32.037   12.937   9.3552   20.795   11.493  -2.4920   16.105  113.148   35.341   78.101   35.683 35.04671 50.22213 
1 1 1    2    3   44 o  102.313   29.098   16.349   8.0778   24.627   11.800   9.0495   11.081  121.241   35.380   84.212   33.638 37.02871 48.81868 
1 1 1    2    3   45 o  252.772   15.263   87.335   9.9465  102.116   14.081   72.615   14.052  267.960   20.441  221.011   24.984 46.94873 32.28072 
1 1 1    2    3   46 o   41.532   20.067  -8.5188   6.5424  -7.2446   8.8317 -10.0684   9.7396   51.617   24.495   51.686   24.850 -0.6950760E-01 34.89340 
1 1 1    2    3   47 o  126.037   44.751   35.790   18.336   0.0000   0.0000   35.790   18.336  ?   ?   126.037   44.751 0.000000 44.75103 
1 1 1    2    3   48 o   50.759   24.652 -11.6400   10.203 -13.9586   12.388  -6.7510   17.989   54.861   26.760   71.076   34.067 -16.21423 43.32006 
1 1 1    2    3   49 o   67.396   28.115   5.4685   8.1664  -3.9150   12.735   12.023   10.643   63.143   29.800   83.046   33.032 -19.90318 44.48731 
1 1 1    2    3   50 o  111.341   31.509   23.311   9.4962   14.937   13.372   31.832   13.489   85.689   35.881  119.616   38.402 -33.92669 52.55572 
1 1 1    2    4    0 o  464.949   8.1793  280.094   9.8508  281.306   13.948  278.888   13.914  465.861   11.559  463.853   11.581 2.007599 16.36184 
1 1 1    2    4    1 o  710.628   9.4563  654.392   17.407  649.798   24.521  659.058   24.713  707.940   13.372  712.965   13.382 -5.025696 18.91769 
1 1 1    2    4    2 o  760.238   9.7817  748.980   19.263  737.538   26.968  760.896   27.523  754.193   13.805  766.039   13.871 -11.84564 19.56928 
1 1 1    2    4    3 o  455.629   8.2038  268.981   9.6822  269.893   13.710  268.073   13.676  456.308   11.599  454.767   11.610 1.541107 16.41087 
1 1 1    2    4    4 o  597.759   8.9155  463.005   13.805  452.612   19.312  473.864   19.741  590.868   12.618  604.581   12.605 -13.71283 17.83541 
1 1 1    2    4    5 o  354.427   8.0668  162.761   7.4059  164.980   10.558  160.612   10.391  356.762   11.425  352.008   11.396 4.753448 16.13689 
1 1 1    2    4    6 o  467.026   8.3336  282.614   10.081  274.100   19.985  285.520   11.676  459.625   16.786  469.386   9.6030 -9.760986 19.33913 
1 1 1    2    4    7 o  707.120   9.5107  647.983   17.420  654.454   24.797  641.678   24.478  710.431   13.475  703.465   13.433 6.966064 19.02703 
1 1 1    2    4    8 o   71.261   14.284   6.8215   2.5449   8.2408   3.6084   5.4170   3.5896   78.122   18.174   64.530   19.683 13.59206 26.79069 
1 1 1    2    4    9 o  626.311   12.995  508.648   21.082  514.400   30.086  503.100   29.550  629.462   18.452  622.520   18.326 6.942017 26.00574 
1 1 1    2    4   10 o  653.113   13.161  553.179   22.265  560.600   31.753  546.000   31.229  657.045   18.657  648.439   18.593 8.606445 26.33928 
1 1 1    2    4   11 o  783.773   10.124  796.292   20.553  787.964   28.878  804.840   29.258  779.332   14.305  787.630   14.341 -8.297974 20.25610 
1 1 1    2    4   12 o  503.048   8.7739  327.988   11.433  327.290   16.211  328.678   16.126  502.326   12.459  503.396   12.367 -1.069611 17.55466 
1 1 1    2    4   13 o  267.251   8.7507   92.586   6.0578   88.736   8.6670   96.263   8.4704  261.504   12.795  272.400   12.005 -10.89560 17.54477 
1 1 1    2    4   14 o  202.333   13.731   53.418   7.1538   0.0000   0.0000   53.418   7.1538  ?   ?   202.333   13.731 0.000000 13.73094 
1 1 1    2    4   15 o  770.412   10.201  770.479   20.357  771.031   28.820  769.930   28.758  769.802   14.453  769.256   14.432 0.5451050 20.42496 
1 1 1    2    4   16 o  468.906   8.9260  285.390   10.842  284.487   15.477  286.260   15.192  467.630   12.777  469.130   12.502 -1.499481 17.87580 
1 1 1    2    4   17 o  503.216   9.0954  328.680   11.856  323.414   16.793  333.914   16.740  498.603   13.002  506.675   12.755 -8.072144 18.21398 
1 1 1    2    4   18 o  354.222   10.422  162.859   9.5630  157.700   16.223  165.607   11.838  347.346   18.094  357.000   12.802 -9.654083 22.16456 
1 1 1    2    4   19 o  492.274   10.549  314.358   13.452  355.100   23.885  295.432   16.279  522.455   17.649  477.013   13.175 45.44235 22.02416 
1 1 1    2    4   20 o  782.532   14.827  794.976   30.054   0.0000   0.0000  794.976   30.054  ?   ?   782.532   14.827 0.000000 14.82673 
1 1 1    2    4   21 o  414.452   9.4934  222.656   10.192  230.471   14.481  214.985   14.346  421.495   13.264  407.070   13.606 14.42493 19.00105 
1 1 1    2    4   22 o  273.840   11.237   97.230   7.9704   91.881   11.234  102.652   11.310  265.527   16.414  280.792   15.611 -15.26517 22.65254 
1 1 1    2    4   23 o  501.688   10.502  326.308   13.647  329.300   19.414  323.384   19.188  503.727   14.879  499.184   14.840 4.542084 21.01416 
1 1 1    2    4   24 o  672.716   10.329  586.747   17.999  589.247   25.665  584.327   25.250  673.775   14.705  670.974   14.528 2.801025 20.67147 
1 1 1    2    4   25 o  458.831   11.697  273.086   13.902  267.910   17.093  283.200   23.895  454.272   14.526  466.581   19.771 -12.30896 24.53383 
1 1 1    2    4   26 o  131.312   23.791   23.177   7.7944   30.246   9.7126   10.390   13.063  150.087   25.920  100.811   37.476 49.27549 45.56673 
1 1 1    2    4   27 o  117.355   22.782   18.578   6.6757   17.243   9.3014   19.995   9.5868  112.816   30.913  121.102   30.561 -8.285759 43.46935 
1 1 1    2    4   28 o  246.385   12.391   79.024   7.8828   85.675   10.781   71.383   11.556  256.108   16.336  233.251   19.299 22.85710 25.28474 
1 1 1    2    4   29 o  227.918   15.160   67.878   8.8989   66.065   11.150   71.060   14.770  224.203   19.390  231.510   25.027 -7.306396 31.65986 
1 1 1    2    4   30 o  569.603   21.257  424.700   31.364   0.0000   0.0000  424.700   31.364  ?   ?   569.603   21.257 0.000000 21.25732 
1 1 1    2    4   31 o  124.840   21.144   20.989   6.5933   24.141   9.8835   18.462   8.8505  132.368   29.571  115.755   29.447 16.61289 41.73227 
1 1 1    2    4   32 o  300.738   12.120  117.760   9.4415  116.064   13.243  119.514   13.464  297.269   17.273  301.663   17.304 -4.393250 24.44920 
1 1 1    2    4   33 o  387.605   10.693  195.574   10.736  205.401   15.495  186.500   14.890  396.223   15.097  377.521   15.227 18.70236 21.44244 
1 1 1    2    4   34 o  264.540   12.823   91.434   8.7870  103.339   12.383   79.357   12.471  279.771   17.170  244.206   19.888 35.56477 26.27407 
1 1 1    2    4   35 o  166.889   16.789   37.045   7.1592   27.595   10.509   45.229   9.7796  139.795   29.924  183.320   20.972 -43.52477 36.54196 
1 1 1    2    4   36 o   87.205   27.441   10.352   6.9146   19.590   9.8813   1.4876   9.6794  116.888   31.793   71.484   30.260 45.40468 43.89202 
1 1 1    2    4   37 o  182.772   15.652   44.427   7.3386   47.891   11.183   41.806   9.7256  186.836   23.636  175.085   21.925 11.75134 32.23940 
1 1 1    2    4   38 o  217.332   17.077   63.216   9.5359   64.754   11.918   60.480   15.898  218.021   21.379  205.393   30.833 12.62796 37.51954 
1 1 1    2    4   39 o  229.911   28.675   75.500   16.706   0.0000   0.0000   75.500   16.706  ?   ?   229.911   28.675 0.000000 28.67466 
1 1 1    2    4   40 o   82.532   27.160   9.5104   6.7247   11.736   9.4633   7.2397   9.5579   91.707   32.190   80.844   31.563 10.86295 45.08199 
1 1 1    2    4   41 o  137.201   22.842   26.719   7.8325   23.888   9.2112   34.110   14.883  126.512   28.760  144.697   38.878 -18.18499 48.35958 
1 1 1    2    4   42 o  158.689   20.745   35.270   8.3230   29.054   9.6269   53.670   16.562  139.921   27.542  183.960   36.047 -44.03961 45.36440 
1 1 1    2    4   43 o  243.065   14.091   79.425   8.8335   97.683   12.293   59.935   12.702  266.720   17.897  203.574   24.585 63.14595 30.40971 
1 1 1    2    4   44 o   55.821   25.133  -1.7368   7.6416   17.322   10.777 -21.0065   10.837  102.843   34.404   47.511   23.531 55.33201 41.68196 
1 1 1    2    4   45 o   75.671   29.003   7.7204   7.9599   29.545   12.072  -9.0658   10.587  131.273   34.901   55.740   26.557 75.53270 43.85595 
1 1 1    2    4   46 o   54.825   25.293  -3.3250   8.3654   4.1287   11.919 -10.5609   11.744   74.299   32.519   57.015   27.380 17.28404 42.51052 
1 1 1    2    4   47 f   95.936   38.993   17.140   15.176   0.0000   0.0000   17.140   15.176  ?   ?    95.936   38.993 0.000000 38.99320 
1 1 1    2    4   48 o   92.951   36.855   16.356   13.211 -13.9400   18.963   44.930   18.416   67.659   33.025  139.408   44.883 -71.74903 55.72400 
1 1 1    2    4   49 o   72.319   29.031   7.7326   8.2987   9.7187   11.245   5.3572   12.298   78.576   32.903   72.825   32.401 5.751312 46.17826 
1 1 1    2    4   50 o   47.696   22.623  -4.9482   7.5139 -16.3552   10.551   6.7887   10.703   46.799   23.186   71.246   31.008 -24.44719 38.71768 
1 1 1    2    5    0 o  298.547   7.8432  115.481   6.0654  121.258   8.6624  109.925   8.4955  305.868   10.933  291.218   11.262 14.65021 15.69623 
1 1 1    2    5    1 o  1125.68   12.352  1642.70   36.016  1650.28   51.133  1635.23   50.737  1127.74   17.504  1122.59   17.448 5.149048 24.71532 
1 1 1    2    5    2 o  262.866   7.9409   89.528   5.4070   90.347   7.6647   88.716   7.6286  264.014   11.208  261.620   11.257 2.394409 15.88505 
1 1 1    2    5    3 o  778.065   9.9701  784.554   20.094  787.976   28.513  781.179   28.322  779.515   14.121  776.148   14.087 3.366516 19.94658 
1 1 1    2    5    4 o  249.878   8.1637   80.902   5.2840   81.487   7.4970   80.324   7.4487  250.726   11.544  248.931   11.552 1.795227 16.33094 
1 1 1    2    5    5 o  339.967   8.1823  149.755   7.2054  148.936   10.253  150.554   10.128  338.960   11.677  340.802   11.473 -1.841644 16.37065 
1 1 1    2    5    6 o  492.575   8.6018  314.396   10.975  309.910   15.421  319.000   15.623  488.928   12.177  496.048   12.159 -7.119751 17.20781 
1 1 1    2    5    7 o  528.020   8.7284  361.280   11.938  388.000   24.687  353.125   13.639  546.777   17.431  521.981   10.087 24.79590 20.13891 
1 1 1    2    5    8 o  1031.98   16.622  1381.99   44.433  1378.00   62.780  1386.00   62.895  1029.48   23.542  1032.47   23.517 -2.988403 33.27610 
1 1 1    2    5    9 o  608.661   10.515  480.207   16.578  481.100   28.630  479.756   20.334  608.730   18.157  608.248   12.906 0.4823608 22.27636 
1 1 1    2    5   10 o  342.961   9.6397  152.453   8.5637  149.614   10.631  157.700   14.452  339.680   12.083  348.584   16.005 -8.903717 20.05382 
1 1 1    2    5   11 o  389.436   8.4139  196.549   8.4875  199.473   12.017  193.637   11.990  392.201   11.829  386.414   11.978 5.786224 16.83443 
1 1 1    2    5   12 o  789.322   10.197  807.803   20.848  821.365   29.815  794.828   29.164  795.478   14.470  782.532   14.388 12.94604 20.40541 
1 1 1    2    5   13 o  399.732   8.6589  207.152   8.9656  205.889   12.704  208.406   12.655  398.310   12.313  400.745   12.191 -2.435303 17.32724 
1 1 1    2    5   14 o  576.764   9.1918  431.504   13.733  436.016   19.542  427.102   19.302  579.324   13.023  573.375   12.996 5.949158 18.39790 
1 1 1    2    5   15 o  320.038   9.0234  132.925   7.4804  135.490   10.622  130.402   10.536  322.787   12.704  316.655   12.845 6.132263 18.06643 
1 1 1    2    5   16 o  343.797   8.9207  153.425   7.9443  142.126   11.239  164.706   11.230  330.466   13.130  355.870   12.183 -25.40375 17.91154 
1 1 1    2    5   17 o  256.264   10.795   85.300   7.1660   86.340   11.552   84.649   9.1360  256.642   17.482  254.670   13.902 1.972717 22.33556 
1 1 1    2    5   18 o  397.583   10.314  205.122   10.622  201.000   17.886  207.369   13.203  392.849   17.577  399.551   12.757 -6.702026 21.71841 
1 1 1    2    5   19 o  593.702   13.965  457.677   21.476  451.400   30.823  463.600   29.939  588.800   20.210  596.833   19.366 -8.033020 27.99020 
1 1 1    2    5   20 o  741.860   14.512  714.332   27.887  710.900   39.335  717.800   39.543  739.279   20.541  742.856   20.550 -3.577637 29.05575 
1 1 1    2    5   21 o  835.194   10.886  904.418   23.551  891.513   33.007  917.802   33.613  828.765   15.375  840.888   15.432 -12.12354 21.78411 
1 1 1    2    5   22 o  499.977   9.9960  324.049   12.946  333.199   18.434  315.145   18.185  506.765   14.043  492.831   14.245 13.93375 20.00315 
1 1 1    2    5   23 o   63.319   25.217   2.6455   6.2104   5.3076   8.2860  -0.7669   9.3812   77.361   29.605   68.293   29.375 9.067993 41.70495 
1 1 1    2    5   24 o   94.300   25.136   11.998   6.2515   10.740   8.8352   13.259   8.8466   93.285   31.151  100.679   30.934 -7.394318 43.90126 
1 1 1    2    5   25 o  566.878   10.025  416.690   14.721  425.055   21.027  408.649   20.616  572.200   14.187  561.049   14.186 11.15088 20.06236 
1 1 1    2    5   26 o  170.739   18.765   38.384   8.1621   47.940   9.9713   18.980   14.209  190.778   20.499  121.577   39.454 69.20100 44.46151 
1 1 1    2    5   27 o  528.365   12.015  362.363   16.444  349.400   20.001  389.400   28.885  518.523   14.891  546.592   20.401 -28.06915 25.25798 
1 1 1    2    5   28 o  147.162   19.149   28.696   7.1266   20.718   10.514   35.476   9.6931  123.134   32.492  163.061   23.638 -39.92674 40.18045 
1 1 1    2    5   29 f  207.172   23.487   56.916   12.381  10.0000   19.486   88.680   16.034  112.780   44.747  259.023   24.176 -146.2423 50.86021 
1 1 1    2    5   30 o  143.009   25.387   27.678   9.0597   39.290   11.425   8.0080   14.870  170.735   26.709   99.352   39.193 71.38224 47.42860 
1 1 1    2    5   31 o  369.417   10.738  177.369   10.275  176.068   15.301  178.437   13.867  367.262   16.084  370.000   14.468 -2.738464 21.63409 
1 1 1    2    5   32 o  200.126   15.954   52.697   8.2016   43.960   11.576   61.503   11.621  180.369   25.488  215.110   21.130 -34.74112 33.10703 
1 1 1    2    5   33 o  269.693   18.536   96.142   12.871   96.142   12.871   0.0000   0.0000  269.693   18.536  ?   ?  0.000000 18.53633 
1 1 1    2    5   34 o  488.454   10.661  310.956   13.488  323.797   19.383  298.900   18.782  496.889   15.060  477.353   15.189 19.53632 21.38958 
1 1 1    2    5   35 o  183.179   16.598   44.560   7.7902   36.508   11.040   52.546   10.995  162.215   27.238  197.351   21.875 -35.13591 34.93502 
1 1 1    2    5   36 o  207.400   14.580   56.835   7.7832   57.284   11.609   56.469   10.490  205.620   22.146  204.958   20.014 0.6616211 29.84992 
1 1 1    2    5   37 o  106.388   25.208   16.011   6.8402   9.8633   10.163   21.103   9.2490   89.945   33.127  120.986   29.726 -31.04128 44.50920 
1 1 1    2    5   38 o  140.288   24.649   27.658   8.6303   18.985   10.763   43.280   14.445  113.365   33.972  171.254   33.763 -57.88852 47.89606 
1 1 1    2    5   39 o  262.974   17.901   93.234   12.122  108.800   17.317   78.280   16.973  279.821   24.127  233.878   28.614 45.94299 37.42812 
1 1 1    2    5   40 f  147.824   19.289   30.095   7.2100   35.892   10.829   25.479   9.6633  157.152   27.610  131.037   29.215 26.11525 40.19694 
1 1 1    2    5   41 o  177.404   20.731   43.775   9.3469   47.705   11.652   36.680   15.654  182.333   25.357  149.097   39.792 33.23674 47.18453 
1 1 1    2    5   42 o   72.961   27.986   6.2638   7.4156   8.6675   10.897   4.1902   10.121   84.813   33.521   74.510   31.209 10.30315 45.80029 
1 1 1    2    5   43 o  192.518   17.424   50.975   8.5947   49.329   12.561   52.423   11.786  181.896   27.519  190.085   24.507 -8.188675 36.84966 
1 1 1    2    5   44 o  167.859   19.034   39.592   8.1299   40.552   12.369   38.862   10.787  160.425   30.886  160.399   26.917 0.2569580E-01 40.96918 
1 1 1    2    5   45 f  144.714   23.559   31.131   8.5275   36.816   11.456   24.066   12.770  151.667   30.221  115.416   37.398 36.25121 48.08249 
1 1 1    2    5   46 o  108.688   25.804   18.530   7.1561   15.827   9.3198   22.412   11.170   96.473   31.984  111.831   34.827 -15.35775 47.28535 
1 1 1    2    5   47 o   89.334   39.377   12.220   17.754   0.0000   0.0000   12.220   17.754  ?   ?    89.334   39.377 0.000000 39.37662 
1 1 1    2    5   48 o   52.375   25.055  -7.7682   9.6262  -6.2910   19.791  -8.2260   11.017   73.224   35.260   55.771   26.712 17.45253 44.23600 
1 1 1    2    5   49 o   64.245   29.141   1.3315   10.498 -16.5000   20.010   8.1043   12.332   65.913   32.521   76.380   33.263 -10.46628 46.51936 
1 1 1    2    6    0 o  692.938   9.4871  622.243   17.028  618.630   24.011  625.899   24.154  690.723   13.420  694.769   13.421 -4.046265 18.97963 
1 1 1    2    6    1 o  183.304   8.5967   43.538   4.0818   38.157   5.7832   48.881   5.7621  171.043   13.154  193.846   11.527 -22.80275 17.49014 
1 1 1    2    6    2 o  315.823   8.0921  129.238   6.6199  132.556   9.3995  125.973   9.3249  319.785   11.347  311.738   11.548 8.046753 16.19004 
1 1 1    2    6    3 o  334.020   8.1486  144.562   7.0503  141.115   9.9808  147.995   9.9604  329.938   11.678  337.894   11.380 -7.955750 16.30614 
1 1 1    2    6    4 o  1103.62   12.261  1579.04   35.049  1587.56   49.819  1570.69   49.319  1106.04   17.389  1100.16   17.306 5.881226 24.53351 
1 1 1    2    6    5 f  917.480   10.974  1091.10   26.079  1095.07   36.988  1087.18   36.776  918.774   15.542  915.458   15.509 3.316406 21.95613 
1 1 1    2    6    6 o  846.738   12.153  929.522   26.656  934.100   46.298  927.252   32.601  847.957   21.079  845.489   14.886 2.468079 25.80492 
1 1 1    2    6    7 o  411.762   11.984  219.815   12.782  229.400   18.413  210.900   17.757  420.431   16.908  403.117   17.006 17.31396 23.98036 
1 1 1    2    6    8 o  453.382   12.436  266.533   14.605   0.0000   0.0000  266.533   14.605  ?   ?   453.382   12.436 0.000000 12.43588 
1 1 1    2    6    9 o  377.188   11.574  184.460   11.308  191.300   15.923  177.500   16.062  383.929   16.011  369.785   16.768 14.14392 23.18468 
1 1 1    2    6   10 o  433.178   8.5465  243.183   9.5897  233.274   13.362  253.708   13.771  424.121   12.163  442.313   12.019 -18.19247 17.09969 
1 1 1    2    6   11 o  540.556   8.9780  378.750   12.571  372.360   17.680  385.285   17.878  535.757   12.740  544.981   12.664 -9.224243 17.96355 
1 1 1    2    6   12 o   77.385   17.703   8.0962   3.4716   4.8581   4.9197   11.308   4.8997   65.549   23.190   91.383   21.122 -25.83455 31.36775 
1 1 1    2    6   13 o  173.820   10.659   39.348   4.7761   40.947   6.8218   37.810   6.6890  176.862   15.033  169.857   15.369 7.004837 21.49926 
1 1 1    2    6   14 o  180.669   10.694   42.530   4.9824   34.518   7.2055   49.870   6.8968  161.785   17.471  195.347   13.717 -33.56285 22.21268 
1 1 1    2    6   15 o  219.917   9.7909   62.804   5.5774   58.406   7.7824   67.449   7.9972  211.284   14.304  227.218   13.651 -15.93362 19.77269 
1 1 1    2    6   16 o  165.382   13.260   35.822   5.6328   39.910   9.5767   33.659   6.9650  173.089   21.846  159.674   17.106 13.41502 27.74662 
1 1 1    2    6   17 o  475.505   10.566  293.562   13.014  296.800   22.374  291.907   15.999  476.986   18.109  473.859   13.034 3.126953 22.31177 
1 1 1    2    6   18 o  411.025   10.429  219.189   11.104  247.500   19.921  206.429   13.373  436.054   17.637  398.693   12.950 37.36075 21.88046 
1 1 1    2    6   19 o  142.903   23.150   27.284   8.2760   11.080   11.607   44.040   11.803   99.382   35.571  181.929   25.767 -82.54734 43.92317 
1 1 1    2    6   20 o  633.805   13.818  521.256   22.685  508.500   31.499  535.000   32.697  625.425   19.443  641.486   19.677 -16.06085 27.66310 
1 1 1    2    6   21 o  178.125   13.190   41.384   6.0425   40.337   8.2358   42.605   8.8927  175.248   18.418  180.031   19.374 -4.783539 26.73209 
1 1 1    2    6   22 o  1167.73   13.253  1768.91   40.087  1772.56   56.961  1765.32   56.426  1167.97   18.828  1165.61   18.688 2.360840 26.52794 
1 1 1    2    6   23 o  314.078   11.021  127.914   8.9665  123.013   13.229  132.078   12.195  307.316   16.681  318.999   14.759 -11.68283 22.27277 
1 1 1    2    6   24 o  1048.54   12.334  1426.31   33.500  1379.28   46.301  1477.99   48.529  1030.26   17.350  1066.45   17.567 -36.18542 24.69075 
1 1 1    2    6   25 o  472.547   9.9631  289.564   12.195  290.667   17.513  288.525   16.992  473.139   14.289  471.424   13.915 1.715790 19.94539 
1 1 1    2    6   26 f  447.585   10.457  259.859   12.124  256.930   17.373  262.639   16.928  444.687   15.082  449.652   14.534 -4.964874 20.94535 
1 1 1    2    6   27 o  650.325   12.017  549.019   20.243  543.103   24.811  560.800   35.010  646.422   14.818  655.792   20.610 -9.370422 25.38375 
1 1 1    2    6   28 o  636.376   11.923  525.888   19.654  525.301   23.952  527.100   34.389  635.612   14.548  635.378   20.895 0.2334595 25.46026 
1 1 1    2    6   29 o  510.690   15.411  339.536   20.387  328.300   29.898  349.300   27.871  500.568   23.059  516.880   20.817 -16.31168 31.06512 
1 1 1    2    6   30 o  444.204   12.377  256.589   14.241  276.557   18.107  224.200   23.061  460.698   15.173  412.972   21.633 47.72516 26.42395 
1 1 1    2    6   31 o   76.123   26.143   7.0513   6.2254   7.7848   8.6285   6.2550   8.9907   83.838   30.578   80.880   30.865 2.957268 43.44733 
1 1 1    2    6   32 o  443.121   10.817  255.521   12.416  249.997   17.608  260.985   17.512  437.203   15.548  446.823   15.130 -9.619507 21.69462 
1 1 1    2    6   33 o  291.511   12.111  110.857   9.1450  108.390   13.360  113.032   12.545  286.440   18.099  292.984   16.598 -6.543243 24.55731 
1 1 1    2    6   34 o  404.088   10.786  212.910   11.290  229.980   16.648  198.377   15.361  418.534   15.356  388.750   15.255 29.78412 21.64529 
1 1 1    2    6   35 o   82.038   27.761   8.6863   7.0180   5.8667   9.8683   11.572   9.9826   80.965   31.932   94.799   33.073 -13.83401 45.97253 
1 1 1    2    6   36 o  132.355   21.437   24.007   7.0979   26.671   10.370   21.660   9.7356  136.540   30.129  122.722   30.702 13.81815 43.01624 
1 1 1    2    6   37 o  245.033   13.329   79.197   8.4281   75.837   12.198   82.265   11.658  237.078   20.051  247.799   18.292 -10.72148 27.14151 
1 1 1    2    6   38 o  311.283   17.332  129.731   13.919  132.300   21.575  127.900   18.218  307.029   27.417  305.168   23.221 1.860992 35.92917 
1 1 1    2    6   39 o   97.291   27.993   13.793   7.4337   10.886   10.148   17.160   10.920   90.705   33.150  107.182   34.567 -16.47775 47.89363 
1 1 1    2    6   40 o  243.136   15.970   79.507   10.002   86.366   12.399   66.730   16.922  251.425   19.184  211.525   31.874 39.89964 37.20133 
1 1 1    2    6   41 o   86.401   27.192   10.860   6.7896   6.1426   9.7068   15.379   9.5003   77.869   31.349  100.609   32.221 -22.73994 44.95470 
1 1 1    2    6   42 o   72.758   27.567   6.4497   7.1398   11.488   10.583   2.2401   9.6729   90.314   33.700   69.690   29.897 20.62405 45.05029 
1 1 1    2    6   43 o  193.755   16.471   51.395   8.1881   63.820   12.737   42.643   10.690  210.198   23.813  170.652   24.918 39.54559 34.46643 
1 1 1    2    6   44 o  116.639   27.229   21.024   8.0772   22.432   11.841   19.798   11.046  114.197   35.906  108.283   34.750 5.913788 49.96759 
1 1 1    2    6   45 o   97.204   30.133   15.449   8.3730   22.302   12.237   9.4162   11.481  111.284   36.638   83.138   33.868 28.14544 49.89394 
1 1 1    2    6   46 o   70.966   29.318   5.7096   8.7581   18.833   12.326  -7.6738   12.447  101.098   36.596   61.056   29.005 40.04154 46.69697 
1 1 1    2    6   47 o   70.881   31.194   3.8384   11.101   0.0000   0.0000   3.8384   11.101  ?   ?    70.881   31.194 0.000000 31.19412 
1 1 1    2    6   48 o  109.309   31.405   21.406   9.3629   28.501   13.243   14.316   13.239  117.618   38.081   88.260   36.208 29.35760 52.54719 
1 1 1    2    6   49 o  105.381   31.122   20.514   9.0825   17.200   17.126   21.811   10.713   89.467   39.074  104.619   34.273 -15.15150 51.97514 
1 1 1    2    7    0 o  667.540   9.4122  577.476   16.275  581.938   23.123  573.096   22.911  669.913   13.325  664.805   13.304 5.107361 18.83012 
1 1 1    2    7    1 o  571.710   8.9156  423.550   13.203  419.539   18.566  427.653   18.779  568.844   12.600  574.318   12.624 -5.473389 17.83596 
1 1 1    2    7    2 o  217.809   8.6957   61.475   4.9061   65.129   6.9597   57.866   6.9169  223.812   12.049  210.875   12.723 12.93752 17.52280 
1 1 1    2    7    3 o  704.752   9.6587  643.681   17.632  646.364   25.030  641.039   24.842  705.992   13.687  703.081   13.641 2.910828 19.32368 
1 1 1    2    7    4 o   73.592   19.202   7.2913   3.6991   9.0100   6.2504   6.3648   4.5891   83.569   26.056   70.618   22.370 12.95093 34.34169 
1 1 1    2    7    5 o  634.459   13.161  521.988   21.630  516.400   30.422  527.700   30.758  630.666   18.623  637.528   18.626 -6.862549 26.33860 
1 1 1    2    7    6 o  863.216   12.344  966.147   27.601  986.767   34.387  928.800   46.277  872.126   15.222  845.458   21.131 26.66742 26.04286 
1 1 1    2    7    7 o  481.727   10.279  300.797   12.826  310.800   22.741  296.131   15.532  489.265   17.944  477.881   12.548 11.38464 21.89558 
1 1 1    2    7    8 o  638.609   13.330  528.957   22.051   0.0000   0.0000  528.957   22.051  ?   ?   638.609   13.330 0.000000 13.33012 
1 1 1    2    7    9 o  601.477   9.3114  468.913   14.507  445.600   28.069  477.411   16.946  585.671   18.502  606.823   10.781 -21.15179 21.41400 
1 1 1    2    7   10 o  349.196   9.8954  158.082   8.9506  161.700   16.163  156.481   10.749  352.345   17.766  347.346   11.947 4.998627 21.40962 
1 1 1    2    7   11 o  526.763   8.9582  359.716   12.223  349.112   17.167  370.620   17.408  518.687   12.777  534.442   12.575 -15.75513 17.92712 
1 1 1    2    7   12 o  605.005   9.3173  474.669   14.601  471.963   20.640  477.381   20.660  602.889   13.216  606.347   13.154 -3.457825 18.64661 
1 1 1    2    7   13 o  222.880   13.748   64.823   7.8981   0.0000   0.0000   64.823   7.8981  ?   ?   222.880   13.748 0.000000 13.74753 
1 1 1    2    7   14 o  207.783   10.367   56.075   5.5799   56.017   7.8721   56.133   7.9104  206.854   14.789  207.061   14.847 -0.2063751 20.95621 
1 1 1    2    7   15 o   57.356   21.136   3.4200   4.1377  -1.9931   6.0676   8.1254   5.6571   51.592   22.866   78.906   24.819 -27.31361 33.74632 
1 1 1    2    7   16 o  412.450   17.264  222.000   18.445  222.000   18.445   0.0000   0.0000  412.450   17.264  ?   ?  0.000000 17.26423 
1 1 1    2    7   17 o   61.277   22.444   3.9414   4.6555   13.060   7.7282  -1.2525   5.8326   98.624   28.589   52.104   22.778 46.51999 36.55406 
1 1 1    2    7   18 o  224.970   17.254   66.203   9.9781   49.750   14.495   81.020   13.756  192.583   30.038  248.388   21.595 -55.80466 36.99469 
1 1 1    2    7   19 o  213.301   13.101   59.257   7.2036   59.780   12.260   58.982   8.9025  213.082   22.555  212.477   16.300 0.6056213 27.82780 
1 1 1    2    7   20 o  250.206   20.991   81.990   13.479   0.0000   0.0000   81.990   13.479  ?   ?   250.206   20.991 0.000000 20.99078 
1 1 1    2    7   21 o  662.398   10.331  568.837   17.727  572.578   25.211  565.179   24.930  664.242   14.653  659.942   14.584 4.300049 20.67342 
1 1 1    2    7   22 o  609.994   10.535  482.426   16.647  477.477   23.500  487.411   23.585  606.532   14.957  612.818   14.858 -6.285767 21.08261 
1 1 1    2    7   23 o  893.703   11.470  1035.86   26.552  1016.53   37.357  1055.60   37.745  884.706   16.302  901.567   16.163 -16.86145 22.95589 
1 1 1    2    7   24 o  635.580   10.234  523.830   16.849  524.472   23.997  523.205   23.662  635.571   14.576  634.822   14.390 0.7486572 20.48242 
1 1 1    2    7   25 o  163.945   17.078   35.319   7.1461   33.204   10.419   37.197   9.8196  157.298   26.515  167.304   23.291 -10.00653 35.29145 
1 1 1    2    7   26 o   64.844   25.955   2.6778   6.6122   5.2735   9.1593  -0.1474   9.5555   79.699   30.958   69.885   29.841 9.814209 42.99879 
1 1 1    2    7   27 o  600.835   10.612  468.454   16.516  465.452   23.254  471.509   23.461  598.333   15.004  602.208   15.040 -3.875000 21.24442 
1 1 1    2    7   28 o  201.790   17.137   53.420   8.8726   49.492   10.515   63.130   16.533  193.469   21.337  216.846   30.259 -23.37686 37.02547 
1 1 1    2    7   29 o  338.698   16.832  149.563   14.767   0.0000   0.0000  149.563   14.767  ?   ?   338.698   16.832 0.000000 16.83171 
1 1 1    2    7   30 o  151.751   18.508   30.549   7.1244   32.159   10.406   29.128   9.7744  153.839   27.105  146.315   26.777 7.524292 38.10049 
1 1 1    2    7   31 o  275.951   12.785   99.193   9.1388  109.301   13.214   89.926   12.653  288.369   17.777  261.219   18.826 27.15012 25.89248 
1 1 1    2    7   32 o  213.687   14.591   59.957   8.0279   63.241   10.992   56.203   11.752  218.307   19.650  204.917   22.511 13.39006 29.88069 
1 1 1    2    7   33 o   49.155   22.639  -4.8211   6.6615  -8.7263   9.5378  -1.1018   9.3079   56.208   26.293   66.186   28.859 -9.978382 39.04040 
1 1 1    2    7   34 o  219.387   14.229   63.361   8.0422   58.784   11.823   67.304   10.972  208.860   22.193  224.740   19.026 -15.88036 29.23191 
1 1 1    2    7   35 o   58.731   25.108   0.2615   6.7795  -9.6073   9.5846   10.143   9.5907   55.034   25.936   90.364   32.335 -35.33017 41.45172 
1 1 1    2    7   36 o  283.935   12.032  105.618   8.8490  121.404   13.293   93.055   11.859  302.240   17.049  264.339   17.416 37.90027 24.37185 
1 1 1    2    7   37 o  198.896   14.372   52.468   7.3545   54.085   10.919   51.126   9.9502  199.131   21.510  194.184   20.072 4.947723 29.42040 
1 1 1    2    7   38 o   61.141   27.638  -3.4723   9.3496   0.0000   0.0000  -3.4723   9.3496  ?   ?    61.141   27.638 0.000000 27.63832 
1 1 1    2    7   39 o  213.943   15.925   61.460   8.7621   60.031   10.479   64.780   15.975  209.584   19.527  210.629   30.139 -1.044693 35.91234 
1 1 1    2    7   40 o  191.334   16.512   49.552   8.1036   46.969   9.7150   55.460   14.692  183.993   20.746  193.353   30.333 -9.359558 36.74884 
1 1 1    2    7   41 o  101.732   26.002   15.338   6.8778   23.363   9.4851   6.4400   9.9876  123.837   29.907   78.849   31.779 44.98760 43.63872 
1 1 1    2    7   42 o   65.695   25.615   4.6515   6.2888   5.1825   9.3717   4.2164   8.4822   74.333   30.476   70.237   28.918 4.095108 42.01212 
1 1 1    2    7   43 o  118.565   25.050   20.990   7.4524   9.3132   10.265   34.003   10.836   83.733   32.705  148.557   29.202 -64.82401 43.84448 
1 1 1    2    7   44 o   53.438   23.870  -1.0106   6.7465   1.9680   9.5863  -3.9336   9.4962   67.255   29.307   58.302   26.915 8.952446 39.79078 
1 1 1    2    7   45 o   53.485   24.569  -2.9485   7.7773   1.5010   11.007  -7.3843   10.990   68.869   30.646   58.052   27.484 10.81677 41.16525 
1 1 1    2    7   46 o   83.281   31.724   11.037   9.4872   4.0886   11.186   28.850   17.909   72.049   31.519  114.110   43.558 -42.06021 53.76570 
1 1 1    2    7   47 o   94.815   34.616   16.631   11.062   16.100   14.039   17.500   17.964   92.609   37.554   94.535   40.655 -1.925926 55.34528 
1 1 1    2    7   48 o   55.818   25.206  -0.3308   7.7529   6.2531   10.341  -8.7826   11.716   72.057   30.913   56.537   27.201 15.51957 41.17615 
1 1 1    2    7   49 o   44.543   22.190 -18.7035   10.202 -16.2400   19.459 -19.6374   11.980   64.307   31.792   48.690   24.221 15.61683 39.96767 
1 1 1    2    8    0 o  414.045   11.858  222.255   12.718  219.100   18.000  225.400   17.971  410.883   16.912  416.762   16.647 -5.878632 23.73064 
1 1 1    2    8    1 o  392.266   11.846  199.488   12.037  205.200   17.195  194.000   16.854  397.645   16.694  386.635   16.829 11.01041 23.70463 
1 1 1    2    8    2 o  558.809   12.636  404.898   18.290  405.900   25.889  403.900   25.843  559.178   17.873  557.798   17.886 1.380249 25.28592 
1 1 1    2    8    3 o  1079.06   14.029  1510.19   39.211  1549.45   49.091  1441.00   65.173  1092.58   17.346  1052.61   23.903 39.96643 29.53338 
1 1 1    2    8    4 o  824.566   10.453  881.302   22.327  907.908   32.268  856.865   30.924  836.570   14.891  812.731   14.689 23.83850 20.91688 
1 1 1    2    8    5 o  897.643   12.674  1044.87   29.470  1144.00   54.774  1004.48   34.962  938.009   22.543  879.872   15.340 58.13727 27.26728 
1 1 1    2    8    6 o  678.868   13.752  597.792   24.182  604.500   34.349  591.200   34.050  682.150   19.440  674.600   19.486 7.550720 27.52437 
1 1 1    2    8    7 f  334.409   10.405  144.970   9.0129  151.006   11.152  133.600   15.305  341.227   12.617  320.176   18.533 21.05042 22.42015 
1 1 1    2    8    8 o  695.141   13.942  626.968   25.104   0.0000   0.0000  626.968   25.104  ?   ?   695.141   13.942 0.000000 13.94181 
1 1 1    2    8    9 o  336.506   8.8522  146.775   7.7160  137.200   15.839  149.755   8.8353  324.333   18.936  339.865   10.036 -15.53186 21.43083 
1 1 1    2    8   10 o  392.550   8.8501  199.763   8.9990  179.300   18.118  206.465   10.368  370.807   18.926  399.027   10.031 -28.22058 21.41981 
1 1 1    2    8   11 o  389.386   10.589  196.692   10.680  168.100   18.130  211.888   13.217  358.743   19.585  404.009   12.630 -45.26599 23.30381 
1 1 1    2    8   12 f  330.335   8.8790  141.543   7.5975  145.325   10.914  137.988   10.582  334.462   12.598  325.914   12.535 8.547943 17.77183 
1 1 1    2    8   13 o  343.790   9.0268  153.394   8.0385  151.563   11.597  155.088   11.152  341.339   13.117  345.359   12.466 -4.020081 18.09566 
1 1 1    2    8   14 o   49.929   19.959   1.6235   3.9046  -1.8118   5.9690   4.1930   5.1622   51.470   22.752   63.715   23.584 -12.24454 32.76937 
1 1 1    2    8   15 o  293.937   10.670  112.252   8.1242  121.700   13.627  107.042   10.119  304.796   17.332  286.752   13.623 18.04395 22.04541 
1 1 1    2    8   16 o  593.667   10.961  457.654   16.856  463.900   29.077  454.493   20.687  596.195   18.828  591.215   13.508 4.979553 23.17268 
1 1 1    2    8   17 o  835.541   12.500  906.450   27.053  909.378   33.237  900.700   46.568  836.359   15.342  830.813   21.639 5.546631 26.52588 
1 1 1    2    8   18 o   81.124   23.516   8.7522   5.2288   14.700   12.810   7.5632   5.7276  109.920   37.505   77.354   25.044 32.56625 45.09824 
1 1 1    2    8   19 o  506.485   13.230  332.836   17.357  320.800   24.335  345.300   24.763  496.779   18.911  515.436   18.547 -18.65680 26.48823 
1 1 1    2    8   20 o  574.801   9.9816  428.319   14.862  416.245   20.957  440.533   21.079  566.362   14.285  582.675   13.966 -16.31378 19.97784 
1 1 1    2    8   21 o  316.284   11.709  129.729   9.5932  127.080   13.504  132.427   13.630  312.381   16.750  318.923   16.556 -6.541412 23.55162 
1 1 1    2    8   22 o  386.279   10.684  193.473   10.690  195.202   15.339  191.840   14.907  387.770   15.271  384.433   14.970 3.336578 21.38509 
1 1 1    2    8   23 o  396.085   10.210  203.424   10.476  215.137   15.222  192.883   14.439  407.094   14.435  385.463   14.461 21.63129 20.43253 
1 1 1    2    8   24 o  692.735   10.547  622.381   18.926  601.788   26.397  644.165   27.150  680.702   14.971  704.272   14.883 -23.57068 21.10963 
1 1 1    2    8   25 f  505.783   10.338  331.818   13.544  326.181   19.224  337.373   19.085  501.074   14.811  509.634   14.458 -8.560364 20.69769 
1 1 1    2    8   26 f  635.764   10.557  524.425   17.385  529.726   24.858  519.350   24.324  638.386   15.032  632.130   14.855 6.256775 21.13429 
1 1 1    2    8   27 o  535.752   10.549  372.507   14.640  360.872   20.687  384.179   20.721  526.746   15.162  543.557   14.717 -16.81061 21.12980 
1 1 1    2    8   28 o  598.332   15.236  465.968   23.613  426.800   32.618  509.100   34.229  571.092   22.049  623.977   21.177 -52.88525 30.57208 
1 1 1    2    8   29 o  136.648   33.103   25.820   11.594   25.820   11.594   0.0000   0.0000  136.648   33.103  ?   ?  0.000000 33.10313 
1 1 1    2    8   30 o  124.956   22.852   21.165   7.1239   23.565   10.699   19.254   9.5485  130.324   31.941  118.038   30.876 12.28635 44.42485 
1 1 1    2    8   31 o  223.109   13.457   65.151   7.7407   84.036   11.416   49.079   10.531  252.641   17.553  191.809   21.571 60.83195 27.81047 
1 1 1    2    8   32 f  220.456   14.289   63.812   8.1160   65.419   11.107   61.971   11.888  221.945   19.519  215.373   21.600 6.572113 29.11244 
1 1 1    2    8   33 o  207.302   15.548   56.718   8.2883   43.740   11.803   69.344   11.642  178.654   26.291  228.050   19.907 -49.39609 32.97731 
1 1 1    2    8   34 o   76.519   27.508   6.9268   6.9483   10.997   10.277   3.4992   9.4304   93.872   33.484   74.822   30.611 19.05042 45.36821 
1 1 1    2    8   35 o   70.627   26.143   5.5367   6.3434   6.3681   9.8067   4.9385   8.3179   81.611   31.941   74.478   29.335 7.132988 43.36757 
1 1 1    2    8   36 o  250.629   13.038   82.734   8.4353   81.619   11.830   83.888   12.031  246.802   18.642  250.200   18.699 -3.398163 26.40453 
1 1 1    2    8   37 o   76.131   27.131   7.2426   6.7456   11.028   7.9650  -2.3610   12.686   89.442   29.564   73.507   32.791 15.93510 44.15119 
1 1 1    2    8   38 o  230.879   24.307   74.340   14.318   0.0000   0.0000   74.340   14.318  ?   ?   230.879   24.307 0.000000 24.30684 
1 1 1    2    8   39 o   50.810   23.743  -6.1841   7.7426  -6.0979   9.7414  -6.3320   12.759   58.437   27.076   67.622   31.211 -9.185482 41.31860 
1 1 1    2    8   40 o  224.081   14.897   67.419   8.5974   65.831   12.331   68.923   11.993  216.788   22.276  222.752   21.035 -5.963943 30.63754 
1 1 1    2    8   41 o   89.208   27.265   11.794   6.8829   11.870   10.777   11.742   8.9448   91.592   34.041   89.760   31.307 1.831802 46.24870 
1 1 1    2    8   42 f   65.823   27.035   3.5999   7.3918   13.681   11.184  -4.2187   9.8496   95.064   34.792   60.018   27.600 35.04614 44.40977 
1 1 1    2    8   43 o  289.224   13.377  112.304   10.022  106.557   14.736  117.250   13.670  274.259   20.900  290.692   18.247 -16.43240 27.74422 
1 1 1    2    8   44 o   55.126   24.995  -1.9380   7.7132   10.524   11.586 -11.8567   10.337   85.823   34.356   52.272   25.249 33.55012 42.63580 
1 1 1    2    8   45 o   83.594   30.505   11.020   8.5891   30.654   12.481  -6.6438   11.838  130.451   35.836   60.766   28.695 69.68466 45.90826 
1 1 1    2    8   46 o   65.301   29.950  -1.0255   11.494   3.1680   19.784  -3.1620   14.122   81.849   38.148   68.258   31.950 13.59102 49.76048 
1 1 1    2    8   47 o  124.910   36.351   30.210   12.472   34.080   17.192   25.910   18.122  120.601   43.278  105.167   42.659 15.43440 60.76808 
1 1 1    2    8   48 o  138.223   25.403   30.820   8.7599   38.622   13.380   24.966   11.589  139.904   36.528  111.474   35.575 28.43011 50.98854 
1 1 1    2    8   49 o   95.096   31.521   17.485   9.0517   16.371   12.837   18.587   12.765   87.698   35.779   91.828   36.285 -4.129593 50.95824 
1 1 1    2    9    0 o  1092.16   17.409  1548.50   49.250  1547.00   69.580  1550.00   69.722  1090.35   24.636  1091.40   24.662 -1.051147 34.85915 
1 1 1    2    9    1 o  1104.01   17.522  1582.35   50.108  1595.00   71.300  1570.00   70.435  1107.08   24.864  1098.39   24.756 8.687622 35.08655 
1 1 1    2    9    2 o  461.854   12.536  276.610   14.997  272.300   20.995  281.100   21.430  457.960   17.698  465.296   17.780 -7.335907 25.08730 
1 1 1    2    9    3 f  454.798   12.540  268.230   14.772  263.700   20.626  273.000   21.167  450.660   17.669  458.528   17.822 -7.867981 25.09608 
1 1 1    2    9    4 o  601.203   13.191  468.800   20.543  472.500   29.251  465.200   28.856  603.130   18.723  598.462   18.614 4.667236 26.40198 
1 1 1    2    9    5 o  284.096   9.2671  104.610   6.8196  105.117   9.6041  104.094   9.6851  284.680   13.024  283.287   13.199 1.393372 18.54268 
1 1 1    2    9    6 o  241.358   9.7284   75.512   6.0821   76.160   8.7115   74.896   8.4954  241.879   13.963  239.878   13.729 2.001648 19.58247 
1 1 1    2    9    7 o  304.085   9.3211  119.861   7.3420  118.887   10.328  120.857   10.439  302.717   13.172  305.214   13.204 -2.496368 18.65025 
1 1 1    2    9    8 o  335.400   9.2995  145.833   8.0793  153.398   11.747  139.043   11.130  343.824   13.190  327.345   13.126 16.47919 18.60799 
1 1 1    2    9    9 o  559.859   9.3600  406.399   13.574  414.138   19.477  399.090   18.928  564.848   13.312  554.504   13.178 10.34430 18.73129 
1 1 1    2    9   10 o  410.534   10.360  218.637   11.017  243.900   20.429  208.278   13.082  432.871   18.220  400.535   12.609 32.33649 22.15743 
1 1 1    2    9   11 o  274.615   9.9759   97.863   7.0962   79.270   14.580  103.635   8.1234  245.030   23.249  282.532   11.100 -37.50175 25.76305 
1 1 1    2    9   12 o  220.321   10.963   63.061   6.2567   59.090   13.253   64.200   7.0974  210.577   24.771  221.864   12.399 -11.28720 27.70115 
1 1 1    2    9   13 o  362.398   10.701  170.672   10.046  151.700   19.006  178.028   11.834  339.207   21.745  369.918   12.350 -30.71033 25.00724 
1 1 1    2    9   14 o  236.794   11.453   72.897   7.0248   61.400   11.334   80.069   8.9517  215.475   20.555  247.548   14.018 -32.07210 24.88007 
1 1 1    2    9   15 o  680.960   11.368  602.413   20.053  616.100   34.607  595.494   24.604  686.630   19.458  676.496   14.041 10.13458 23.99479 
1 1 1    2    9   16 o  460.596   9.3878  275.201   11.200  282.209   15.941  268.368   15.740  466.063   13.205  454.473   13.371 11.59036 18.79197 
1 1 1    2    9   17 o  775.544   15.232  781.425   30.600  773.700   43.635  788.900   42.924  770.430   21.865  778.089   21.297 -7.658630 30.52295 
1 1 1    2    9   18 o  1026.75   16.994  1369.67   45.196  1386.00   64.587  1354.00   63.268  1031.20   24.180  1019.28   23.963 11.91614 34.04215 
1 1 1    2    9   19 o  1719.12   17.367  3839.06   77.337  3724.12  106.019  3969.78  113.063  1690.82   24.207  1745.36   25.008 -54.53906 34.80492 
1 1 1    2    9   20 o  978.585   16.900  1243.67   42.837   0.0000   0.0000  1243.67   42.837  ?   ?   978.585   16.900 0.000000 16.89952 
1 1 1    2    9   21 o  769.300   10.967  767.412   21.854  750.170   30.829  784.828   30.983  760.140   15.657  777.534   15.384 -17.39331 21.94986 
1 1 1    2    9   22 o  671.412   10.536  584.547   18.325  583.911   25.998  585.174   25.832  670.639   14.966  671.376   14.854 -0.7369385 21.08607 
1 1 1    2    9   23 o  783.329   10.888  795.840   22.092  788.550   31.265  803.109   31.219  779.167   15.491  786.350   15.327 -7.183350 21.79206 
1 1 1    2    9   24 o  620.968   10.223  500.114   16.444  498.666   23.742  501.448   22.796  619.594   14.793  621.396   14.163 -1.802307 20.47969 
1 1 1    2    9   25 f  294.554   11.556  112.598   8.8169  128.035   12.658   98.047   12.289  313.839   15.570  273.967   17.407 39.87189 23.35419 
1 1 1    2    9   26 o  167.727   18.086   37.060   7.7335   38.072   11.303   36.170   10.604  168.402   26.810  164.264   25.770 4.137985 37.18718 
1 1 1    2    9   27 o  279.003   14.120  101.474   10.172   95.357   12.066  116.500   18.910  269.987   17.344  297.110   24.798 -27.12228 30.26171 
1 1 1    2    9   28 o  223.389   18.100   65.543   10.384   28.290   22.250   75.915   11.740  146.983   49.433  240.361   19.012 -93.37775 52.96297 
1 1 1    2    9   29 o  111.499   29.194   17.084   8.5310   17.084   8.5310   0.0000   0.0000  111.499   29.194  ?   ?  0.000000 29.19400 
1 1 1    2    9   30 o  102.670   30.037   14.360   8.4958   15.743   10.509   11.750   14.435  108.220   33.792  104.685   39.299 3.535606 51.83033 
1 1 1    2    9   31 o  329.023   11.703  141.025   9.9737  160.577   14.818  124.832   13.486  350.127   16.339  308.125   16.962 42.00174 23.55113 
1 1 1    2    9   32 o  238.236   18.341   75.198   11.231   0.0000   0.0000   75.198   11.231  ?   ?   238.236   18.341 0.000000 18.34118 
1 1 1    2    9   33 o   85.217   28.172   9.5291   7.2326   13.965   10.359   5.3107   10.102  101.823   33.719   80.610   32.144 21.21301 46.58585 
1 1 1    2    9   34 o  143.443   20.653   27.935   7.4528   22.175   10.984   32.849   10.145  123.988   33.436  153.742   26.428 -29.75428 42.61924 
1 1 1    2    9   35 o  150.709   18.748   30.647   7.1608   39.385   10.099   21.810   10.156  169.297   23.676  122.758   31.713 46.53935 39.57590 
1 1 1    2    9   36 o  240.383   12.994   76.189   8.0608   74.448   11.495   77.874   11.306  235.249   19.027  240.989   18.248 -5.739182 26.36327 
1 1 1    2    9   37 o  135.532   45.067   29.380   18.498   29.380   18.498   0.0000   0.0000  135.532   45.067  ?   ?  0.000000 45.06715 
1 1 1    2    9   38 o  144.447   27.388   30.221   9.8725   47.740   13.443   9.7100   14.546  180.856   29.729   94.651   38.280 86.20489 48.46820 
1 1 1    2    9   39 o   65.632   26.245   3.8681   6.7534   0.6366   9.9032   6.6774   9.2335   68.456   29.810   78.466   30.907 -10.01074 42.94004 
1 1 1    2    9   40 o  144.724   20.100   29.251   7.3315   33.569   10.810   25.572   9.9769  149.881   28.890  129.519   30.280 20.36235 41.85160 
1 1 1    2    9   41 o   83.113   28.175   9.9698   7.2286   2.1263   10.033   18.437   10.424   70.305   30.308  107.724   33.659 -37.41859 45.29390 
1 1 1    2    9   42 o  230.378   14.162   71.599   8.4105   72.046   12.192   71.193   11.617  225.749   21.095  225.242   20.123 0.5077362 29.15331 
1 1 1    2    9   43 o  143.615   21.010   29.679   7.5848   31.821   10.636   27.463   10.820  141.991   29.864  129.510   32.348 12.48183 44.02557 
1 1 1    2    9   44 o   48.220   22.931  -7.1657   7.8182 -15.4761   10.850   1.8081   11.275   50.679   24.789   70.102   31.115 -19.42385 39.78231 
1 1 1    2    9   45 o  116.614   28.227   22.123   8.4346   35.949   12.541   10.703   11.398  142.980   34.300   83.902   33.902 59.07784 48.22732 
1 1 1    2    9   46 o   67.564   30.208   2.0473   10.830  -9.4470   19.801   6.9531   12.936   71.969   34.807   77.801   33.970 -5.832359 48.63588 
1 1 1    2    9   47 o   84.837   32.017   12.633   9.6070   9.8238   12.837   16.210   14.484   80.558   34.498   91.036   37.664 -10.47826 51.07548 
1 1 1    2    9   48 o   56.534   26.009  -1.2620   8.7598  -1.8359   12.318  -0.6749   12.460   63.521   29.767   64.984   30.283 -1.463131 42.46342 
1 1 1    2    9   49 o  133.128   25.901   29.853   8.6103   43.024   13.672   21.195   11.085  143.341   36.672   99.006   34.833 44.33498 50.57849 
1 1 1    2   10    0 o  556.524   9.1729  401.431   13.223  397.880   18.641  405.028   18.761  553.850   12.994  558.805   12.961 -4.955139 18.35274 
1 1 1    2   10    1 o  771.374   10.226  771.353   20.432  787.042   29.263  756.429   28.542  778.813   14.506  763.523   14.431 15.28967 20.46155 
1 1 1    2   10    2 o  478.653   8.9433  296.944   11.088  290.603   15.568  303.473   15.797  473.341   12.697  483.714   12.608 -10.37323 17.89347 
1 1 1    2   10    3 f  763.477   10.197  755.668   20.167  754.889   28.540  756.444   28.500  762.714   14.446  763.503   14.411 -0.7888184 20.40472 
1 1 1    2   10    4 o  349.821   9.0965  158.620   8.2427  163.473   11.784  153.972   11.534  354.992   12.816  344.517   12.924 10.47427 18.20094 
1 1 1    2   10    5 o  162.437   17.084   34.650   7.0807   34.650   7.0807   0.0000   0.0000  162.437   17.084  ?   ?  0.000000 17.08436 
1 1 1    2   10    6 o  265.207   9.5221   91.185   6.5414   90.371   9.1417   92.039   9.3641  263.550   13.436  265.960   13.638 -2.409943 19.14472 
1 1 1    2   10    7 o  233.036   10.252   70.424   6.1883   62.796   8.7972   77.896   8.7067  219.322   15.587  244.574   13.800 -25.25197 20.81758 
1 1 1    2   10    8 o  130.573   14.602   22.421   4.8542   27.786   7.4878   18.532   6.3753  144.624   20.567  117.390   21.768 27.23376 29.94741 
1 1 1    2   10    9 o   99.313   19.735   13.305   4.8980   16.887   7.2143   10.242   6.6713  111.395   25.546   88.187   26.819 23.20805 37.03888 
1 1 1    2   10   10 o  363.806   9.5487  171.751   8.9984  167.763   13.057  175.359   12.418  359.156   14.035  367.299   13.053 -8.143646 19.16616 
1 1 1    2   10   11 o  141.935   14.228   26.492   5.1607   15.730   11.637   29.126   5.7579  109.798   35.708  148.748   15.156 -38.95022 38.79083 
1 1 1    2   10   12 o  480.750   9.5008  300.155   11.831  285.500   24.595  304.567   13.495  466.587   20.350  484.083   10.763 -17.49597 23.02041 
1 1 1    2   10   13 o  392.313   10.664  200.010   10.837   0.0000   0.0000  200.010   10.837  ?   ?   392.313   10.664 0.000000 10.66433 
1 1 1    2   10   14 o  593.335   11.226  457.385   17.254   0.0000   0.0000  457.385   17.254  ?   ?   593.335   11.226 0.000000 11.22630 
1 1 1    2   10   15 o  623.301   9.7035  504.084   15.667  483.670   21.760  526.056   22.575  609.989   13.771  636.168   13.699 -26.17914 19.42481 
1 1 1    2   10   16 o  632.761   14.230  520.082   23.323  506.200   33.332  533.400   32.647  623.252   20.647  639.955   19.695 -16.70276 28.53349 
1 1 1    2   10   17 o  679.116   11.510  598.242   20.247  608.400   35.299  593.261   24.717  683.807   19.929  676.021   14.115 7.786011 24.42099 
1 1 1    2   10   18 o  412.644   11.289  220.822   12.067  223.121   15.429  217.200   19.363  414.618   14.366  408.810   18.286 5.808044 23.25412 
1 1 1    2   10   19 o  593.700   14.443  457.453   22.211   0.0000   0.0000  457.453   22.211  ?   ?   593.700   14.443 0.000000 14.44298 
1 1 1    2   10   20 o  552.021   10.553  395.103   15.089  423.455   22.114  370.404   20.640  571.166   14.947  534.193   14.917 36.97260 21.11677 
1 1 1    2   10   21 o  392.554   10.652  199.821   10.831  205.387   15.595  194.635   15.053  397.740   15.137  387.198   15.009 10.54276 21.31685 
1 1 1    2   10   22 o  270.199   17.047   95.251   11.870   95.251   11.870   0.0000   0.0000  270.199   17.047  ?   ?  0.000000 17.04743 
1 1 1    2   10   23 f  587.560   10.160  447.722   15.463  442.123   21.589  453.620   22.158  583.492   14.284  591.009   14.474 -7.517151 20.33567 
1 1 1    2   10   24 o  605.870   10.399  476.174   16.320  484.207   23.446  468.623   22.731  610.461   14.827  600.584   14.612 9.876282 20.81717 
1 1 1    2   10   25 o  452.924   10.514  266.174   12.336  275.482   18.317  258.450   16.687  460.298   15.363  445.943   14.446 14.35596 21.08781 
1 1 1    2   10   26 o  495.186   10.398  318.234   13.337  314.888   19.264  321.314   18.483  492.017   15.115  497.117   14.353 -5.099823 20.84451 
1 1 1    2   10   27 o   72.249   30.953  -0.2565   10.343   7.3940   18.124  -3.9510   12.595  105.837   42.756   74.251   32.924 31.58582 53.96373 
1 1 1    2   10   28 o  286.393   13.768  106.752   10.214  102.000   16.740  109.570   12.892  277.704   23.492  289.237   17.286 -11.53305 29.16636 
1 1 1    2   10   29 o  230.265   14.006   69.343   8.3141   77.574   11.933   61.579   11.590  242.620   19.143  215.584   21.023 27.03624 28.43260 
1 1 1    2   10   30 o  292.587   14.747  112.080   11.141  112.450   13.836  111.400   18.786  292.207   18.374  288.687   25.380 3.520355 31.33241 
1 1 1    2   10   31 o  140.652   25.772   27.178   9.0436   37.520   10.978   5.3440   15.952  165.631   26.481   95.717   39.558 69.91367 47.60296 
1 1 1    2   10   32 o  214.893   14.587   60.794   8.0718   81.644   11.152   37.852   11.698  248.375   17.445  165.233   28.352 83.14201 33.28905 
1 1 1    2   10   33 o  297.619   12.387  115.866   9.5496  116.999   13.958  114.868   13.094  296.841   18.241  294.501   17.240 2.339752 25.09857 
1 1 1    2   10   34 o  146.675   20.061   29.166   7.4220   36.894   10.576   21.666   10.419  163.094   25.899  122.479   32.356 40.61524 41.44479 
1 1 1    2   10   35 o  119.207   22.965   19.790   6.8338   14.465   9.8318   24.769   9.5055  101.465   32.808  131.575   28.698 -30.10934 43.58825 
1 1 1    2   10   36 o  215.164   15.069   61.562   8.3456   68.539   11.670   54.259   11.939  224.797   20.259  198.150   23.734 26.64720 31.20463 
1 1 1    2   10   37 o   46.929   23.044 -17.8479   9.6576 -45.5800   18.533  -7.5100   11.315   57.886   28.998   62.479   29.030 -4.593037 41.03162 
1 1 1    2   10   38 o  135.061   24.567   26.093   8.2782   21.327   10.403   34.320   13.668  118.133   32.822  148.245   35.961 -30.11147 48.68745 
1 1 1    2   10   39 o  121.257   22.687   21.005   6.8640   16.353   9.3811   26.365   10.070  103.558   31.861  132.022   30.112 -28.46420 43.83924 
1 1 1    2   10   40 o   64.674   26.250   3.5659   6.8661   6.7374   9.4742   0.0578   9.9645   78.191   31.145   66.970   29.510 11.22032 42.90521 
1 1 1    2   10   41 o   69.389   26.693   5.6427   6.7581   2.7511   10.242   7.8728   8.9942   71.565   30.735   79.263   30.709 -7.697227 43.44716 
1 1 1    2   10   42 o   91.661   28.511   12.976   7.4888   15.097   10.547   10.820   10.635   97.134   33.989   87.106   33.491 10.02848 47.71683 
1 1 1    2   10   43 o   71.038   27.994   6.1353   7.5789   11.420   10.662   0.7389   10.775   87.098   33.522   67.998   30.286 19.09977 45.17675 
1 1 1    2   10   44 o   58.463   25.585   0.9319   7.3755   1.2138   11.473   0.7333   9.6287   69.174   30.998   64.289   28.632 4.884811 42.19750 
1 1 1    2   10   45 o  143.161   29.538   33.838   10.590   40.589   12.917   20.000   18.494  152.235   33.652   99.270   41.915 52.96484 53.75265 
1 1 1    2   10   46 f   83.719   33.647   11.731   11.162   0.0000   0.0000   11.731   11.162  ?   ?    83.719   33.647 0.000000 33.64713 
1 1 1    2   10   47 o   64.239   28.773   2.0133   9.8731   5.6100   12.176  -4.8910   16.870   72.995   32.369   68.908   33.018 4.086906 46.23804 
1 1 1    2   10   48 o   64.982   28.047   4.5655   8.6115   7.2764   11.985   1.6725   12.381   73.422   32.358   66.741   30.783 6.681595 44.66171 
1 1 1    2   11    0 o  331.121   9.1105  142.126   7.8141  145.888   11.155  138.502   10.949  335.329   12.843  326.726   12.938 8.602600 18.22959 
1 1 1    2   11    1 o  863.407   15.379  967.928   34.395  967.928   34.395   0.0000   0.0000  863.407   15.379  ?   ?  0.000000 15.37923 
1 1 1    2   11    2 o  1162.58   12.881  1753.68   38.791  1783.05   55.690  1726.00   54.063  1171.19   18.357  1152.36   18.112 18.83289 25.78777 
1 1 1    2   11    3 o  793.983   10.439  817.482   21.469  838.034   30.902  798.308   29.849  803.395   14.850  784.142   14.695 19.25299 20.89174 
1 1 1    2   11    4 o  267.646   9.6624   92.881   6.6988   86.492   9.5754   99.005   9.3748  257.701   14.402  276.199   13.104 -18.49841 19.47122 
1 1 1    2   11    5 o  149.681   13.693   29.329   5.2502   33.134   7.6337   25.914   7.2324  158.463   18.975  139.589   20.623 18.87332 28.02443 
1 1 1    2   11    6 o  356.197   9.4290  164.533   8.6997  165.541   12.493  163.584   12.122  357.046   13.508  354.951   13.184 2.094910 18.87551 
1 1 1    2   11    7 o  113.240   17.005   17.053   4.8339   16.890   6.6111   17.240   7.0860  111.619   23.603  112.631   24.946 -1.011925 34.34227 
1 1 1    2   11    8 o  194.204   12.504   49.200   6.2568   57.458   9.0108   41.512   8.6945  209.385   16.754  177.362   19.233 32.02322 25.50711 
1 1 1    2   11    9 o  172.742   13.615   39.060   6.0426   37.052   8.5670   41.049   8.5242  167.128   20.199  176.262   18.969 -9.133102 27.70945 
1 1 1    2   11   10 o  355.687   10.123  164.342   9.3265  170.874   13.330  158.077   13.053  362.167   14.210  348.304   14.468 13.86255 20.27911 
1 1 1    2   11   11 o  399.942   11.379  208.005   11.788  198.800   20.939  212.277   14.264  388.599   20.878  403.671   13.641 -15.07199 24.93954 
1 1 1    2   11   12 o  426.895   10.997  236.881   12.160   0.0000   0.0000  236.881   12.160  ?   ?   426.895   10.997 0.000000 10.99708 
1 1 1    2   11   13 o  517.810   11.220  348.366   15.049   0.0000   0.0000  348.366   15.049  ?   ?   517.810   11.220 0.000000 11.21972 
1 1 1    2   11   14 o  506.778   11.676  333.524   15.327  337.400   26.714  331.622   18.714  508.333   20.288  504.990   14.307 3.342987 24.82540 
1 1 1    2   11   15 o  137.855   26.102   25.669   8.9793   11.460   13.068   38.380   12.359  102.912   37.616  168.694   29.350 -65.78230 47.71166 
1 1 1    2   11   16 o  782.146   12.432  793.809   25.186  811.500   45.709  786.096   30.181  789.151   22.361  778.006   14.976 11.14526 26.91299 
1 1 1    2   11   17 o  427.735   13.093  237.393   14.506  218.600   20.082  257.900   20.977  410.047   18.907  445.448   18.180 -35.40076 26.22994 
1 1 1    2   11   18 o  654.249   10.290  554.973   17.438  531.825   24.336  579.405   25.001  640.104   14.677  668.147   14.446 -28.04309 20.59349 
1 1 1    2   11   19 o  742.120   15.685  715.063   30.151  715.063   30.151   0.0000   0.0000  742.120   15.685  ?   ?  0.000000 15.68501 
1 1 1    2   11   20 o  234.391   13.458   71.525   8.1364   61.616   12.433   78.947   10.760  216.385   22.512  245.934   16.995 -29.54980 28.20663 
1 1 1    2   11   21 o  390.921   10.728  198.188   10.863  192.177   15.580  203.876   15.155  384.659   15.636  396.255   14.765 -11.59598 21.50561 
1 1 1    2   11   22 o  595.565   10.279  460.010   15.857  463.037   23.043  457.286   21.855  597.076   14.899  593.432   14.218 3.643860 20.59401 
1 1 1    2   11   23 o  427.536   10.412  237.105   11.531  222.373   16.750  250.375   15.897  413.640   15.633  439.065   13.978 -25.42468 20.97090 
1 1 1    2   11   24 o  776.424   11.025  782.291   22.173  769.386   31.419  795.096   31.298  769.208   15.769  782.017   15.451 -12.80859 22.07643 
1 1 1    2   11   25 o  167.640   16.702   36.941   7.1560   42.339   10.495   32.251   9.7827  178.466   23.255  154.972   25.239 23.49420 34.31913 
1 1 1    2   11   26 o  184.220   18.770   44.726   8.8317   53.912   10.322   19.620   17.064  202.224   19.965  125.603   43.273 76.62099 47.65667 
1 1 1    2   11   27 o  172.195   17.752   39.099   7.8047   20.783   11.875   53.026   10.355  123.271   35.354  200.354   20.230 -77.08324 40.73322 
1 1 1    2   11   28 f  222.424   18.634   65.161   10.637   68.320   14.731   61.720   15.375  226.169   25.595  214.058   28.433 12.11093 38.25634 
1 1 1    2   11   29 o  133.835   20.785   24.083   6.9718   29.895   10.216   19.016   9.5380  147.695   27.722  117.101   30.969 30.59322 41.56432 
1 1 1    2   11   30 o   98.955   26.837   13.516   7.0528   20.682   10.009   6.4504   9.9396  121.513   31.529   83.374   32.288 38.13937 45.12831 
1 1 1    2   11   31 o  322.326   14.012  135.949   11.699  149.801   14.733  112.300   19.250  337.581   16.848  288.309   26.058 49.27185 31.02987 
1 1 1    2   11   32 o  311.709   14.366  127.445   11.599  141.895   14.288   99.510   19.866  327.707   16.889  268.991   28.968 58.71686 33.53200 
1 1 1    2   11   33 o   48.539   22.575  -5.7218   6.8697  -1.4809   9.8658  -9.7133   9.5713   67.002   29.449   54.848   25.870 12.15417 39.19811 
1 1 1    2   11   34 o  182.657   16.224   44.440   7.5963   54.947   10.723   33.853   10.763  201.557   20.839  155.008   27.828 46.54947 34.76611 
1 1 1    2   11   35 o  131.495   21.278   23.832   6.9998   30.889   10.700   18.552   9.2549  146.721   29.181  112.922   30.792 33.79841 42.42246 
1 1 1    2   11   36 o   67.615   32.725 -22.9000   17.583 -22.9000   17.583   0.0000   0.0000   67.615   32.725  ?   ?  0.000000 32.72497 
1 1 1    2   11   37 o  130.687   23.458   24.187   7.6491   11.570   11.254   35.019   10.428   93.514   34.780  156.057   26.760 -62.54297 43.88363 
1 1 1    2   11   38 o  175.739   20.059   42.700   8.9677   52.072   11.209   26.030   14.948  192.486   22.932  125.955   40.425 66.53134 46.47645 
1 1 1    2   11   39 o   66.213   26.431   4.1638   6.8367  -5.1693   9.9470   12.520   9.4123   59.696   27.554   92.393   32.121 -32.69707 42.32018 
1 1 1    2   11   40 o   54.098   23.717  -0.3166   6.3635   8.8191   9.4464  -7.9068   8.6103   82.465   31.597   51.416   24.338 31.04905 39.88397 
1 1 1    2   11   41 o  218.315   15.896   65.004   8.9275   68.204   12.434   61.599   12.826  218.518   22.278  205.572   24.574 12.94530 33.16933 
1 1 1    2   11   42 o   53.961   24.416  -1.9927   7.3171  -6.2543   9.9889   2.9418   10.749   57.172   26.796   71.787   31.158 -14.61491 41.09601 
1 1 1    2   11   43 o  103.389   26.902   16.872   7.2735   25.420   10.198   8.0207   10.377  123.423   31.725   79.018   32.194 44.40519 45.19892 
1 1 1    2   11   44 o   65.575   27.798   3.6947   8.1865   1.9680   11.251   5.6375   11.934   69.198   30.874   75.771   32.860 -6.572395 45.08846 
1 1 1    2   11   45 o   79.537   34.651   7.9160   13.395   38.910   20.909 -13.6600   17.445  122.647   47.005   65.563   31.931 57.08329 56.82496 
1 1 1    2   11   46 o   72.800   30.388   7.1007   9.5489   3.2450   16.027   9.2226   11.890   75.465   34.883   78.815   33.461 -3.350067 48.33656 
1 1 1    2   11   47 o   77.806   30.610   10.260   9.0473   20.606   12.841   0.0624   12.749   97.723   36.983   66.293   30.806 31.42988 48.13293 
1 1 1    2   11   48 o  127.625   26.092   27.518   8.3345   23.234   13.250   30.322   10.721   99.181   37.560  125.006   32.726 -25.82528 49.81674 
1 1 1    2   12    0 o  411.417   9.2002  219.479   9.8046  219.546   13.941  219.413   13.792  411.235   13.087  411.120   12.951 0.1148376 18.41216 
1 1 1    2   12    1 o  333.384   13.329  144.307   11.511  144.307   11.511   0.0000   0.0000  333.384   13.329  ?   ?  0.000000 13.32932 
1 1 1    2   12    2 o  273.905   9.9753   97.308   7.0774   89.967   9.9047  104.966   10.117  262.751   14.611  284.296   13.738 -21.54526 20.05481 
1 1 1    2   12    3 f  586.819   9.5334  446.614   14.491  449.368   20.650  443.941   20.340  588.208   13.553  584.661   13.431 3.548035 19.08086 
1 1 1    2   12    4 f   93.494   19.465   11.812   4.5606   14.767   6.5930   9.1008   6.3154  104.191   24.789   83.733   26.205 20.45821 36.07173 
1 1 1    2   12    5 o  538.461   13.251  376.732   18.483   0.0000   0.0000  376.732   18.483  ?   ?   538.461   13.251 0.000000 13.25137 
1 1 1    2   12    6 o  120.072   17.528   19.182   5.2909   19.214   7.6653   19.153   7.3121  118.748   25.669  118.716   24.587 0.3275299E-01 35.54453 
1 1 1    2   12    7 o  169.277   13.764   37.530   5.9829   32.591   8.5856   42.192   8.3419  156.258   21.806  178.844   18.263 -22.58554 28.44371 
1 1 1    2   12    8 o  350.248   10.083  159.348   9.1477  163.776   13.083  155.112   12.795  354.565   14.245  345.049   14.316 9.516296 20.19565 
1 1 1    2   12    9 f  312.697   10.462  127.077   8.4742  125.023   12.038  129.096   11.932  309.594   15.011  314.651   14.639 -5.056824 20.96740 
1 1 1    2   12   10 o  211.388   12.732   58.382   6.9391   54.798   10.577   61.091   9.1945  203.372   20.350  215.612   16.590 -12.23996 26.25599 
1 1 1    2   12   11 o  451.332   11.706  264.892   13.686  275.900   24.803  260.074   16.410  458.600   20.880  446.788   14.179 11.81265 25.23911 
1 1 1    2   12   12 o  178.886   19.131   42.280   8.7274   0.0000   0.0000   42.280   8.7274  ?   ?   178.886   19.131 0.000000 19.13139 
1 1 1    2   12   13 o  602.898   11.729  472.040   18.317  473.600   32.526  471.315   22.166  602.145   20.854  602.056   14.214 0.8947754E-01 25.23682 
1 1 1    2   12   14 o  326.415   11.966  138.296   10.117  133.500   18.455  140.356   12.097  319.055   22.475  328.691   14.208 -9.635803 26.58901 
1 1 1    2   12   15 o  158.764   16.699   33.118   6.7646   18.780   14.395   37.182   7.6635  121.413   39.726  168.163   17.867 -46.74977 43.55893 
1 1 1    2   12   16 o  428.538   14.484  238.400   16.078   0.0000   0.0000  238.400   16.078  ?   ?   428.538   14.484 0.000000 14.48401 
1 1 1    2   12   17 o  756.775   11.057  742.690   21.674  645.700   41.275  779.617   25.468  704.204   22.628  775.205   12.683 -71.00104 25.93983 
1 1 1    2   12   18 o  482.915   10.276  302.367   12.854  322.845   18.197  281.976   18.159  498.761   14.085  466.057   15.042 32.70432 20.60676 
1 1 1    2   12   19 o  551.088   10.687  393.816   15.255  380.348   21.399  407.734   21.754  541.238   15.264  560.409   14.986 -19.17157 21.39034 
1 1 1    2   12   20 o  343.263   11.002  152.822   9.7828  147.066   14.420  157.731   13.316  336.437   16.547  348.537   14.749 -12.09937 22.16598 
1 1 1    2   12   21 o  1011.51   12.185  1327.67   31.927  1322.00   45.189  1333.33   45.114  1008.38   17.301  1012.71   17.198 -4.336182 24.39413 
1 1 1    2   12   22 o  350.617   11.014  159.491   10.003  149.812   14.531  168.210   13.791  339.446   16.526  359.823   14.797 -20.37744 22.18237 
1 1 1    2   12   23 o  239.674   13.659   74.859   8.4449   68.378   12.202   80.817   11.699  228.047   20.889  248.475   18.306 -20.42735 27.77531 
1 1 1    2   12   24 o  197.109   15.560   50.848   7.8797   39.920   11.611   60.178   10.728  172.487   26.862  213.945   19.576 -41.45798 33.23853 
1 1 1    2   12   25 o   97.238   29.740   12.512   8.1873   13.440   9.5098   9.8530   16.094  101.523   32.208  105.629   41.035 -4.105568 52.16541 
1 1 1    2   12   26 o  477.540   12.762  296.483   15.787  292.300   30.367  298.032   18.480  470.990   24.980  478.453   14.912 -7.463074 29.09214 
1 1 1    2   12   27 o  221.456   15.994   64.293   9.1133   66.910   14.762   62.682   11.584  223.803   25.945  217.738   20.792 6.064468 33.24847 
1 1 1    2   12   28 o  197.928   15.991   51.494   8.1283   51.097   11.670   51.868   11.328  195.513   23.515  197.235   22.580 -1.722229 32.60052 
1 1 1    2   12   29 o  272.289   12.939   96.679   9.1260   83.275   13.002  109.695   12.812  250.726   20.191  288.797   17.205 -38.07118 26.52707 
1 1 1    2   12   30 o   80.684   27.424   8.1998   6.8488   4.9502   9.9964   11.075   9.4022   80.012   31.953   93.415   32.125 -13.40287 45.31035 
1 1 1    2   12   31 o  158.573   20.641   33.895   8.2772   34.055   9.5201   33.400   16.754  157.888   24.037  150.507   41.592 7.380997 48.03770 
1 1 1    2   12   32 o  169.794   22.002   39.134   9.4495   46.700   11.432   22.810   16.791  184.766   24.489  126.576   42.940 58.19057 49.43240 
1 1 1    2   12   33 o  198.595   15.472   52.310   7.8964   46.068   11.542   57.802   10.827  182.835   25.028  207.066   20.453 -24.23155 32.32212 
1 1 1    2   12   34 o   80.564   27.561   8.4679   6.9180   5.5938   10.053   11.053   9.5347   79.992   32.008   91.827   32.306 -11.83539 45.47770 
1 1 1    2   12   35 o   42.483   20.686 -12.2439   7.3134   0.5857   9.0846 -35.8700   12.328   67.011   28.865   45.536   22.924 21.47478 36.86042 
1 1 1    2   12   36 o   96.588   34.989   12.738   11.269  -2.9050   19.535   20.540   13.796   87.981   39.845  116.000   38.926 -28.01864 55.70284 
1 1 1    2   12   37 o   95.475   30.978   13.368   8.7598   7.3020   12.248   19.720   12.533   85.846   34.977  112.682   37.078 -26.83595 50.97229 
1 1 1    2   12   38 o  284.367   12.951  107.387   9.5396  109.990   13.918  105.081   13.102  283.189   19.084  277.362   18.339 5.826965 26.46765 
1 1 1    2   12   39 o  114.860   25.595   19.543   7.4205   6.5372   10.471   32.666   10.518   79.505   32.360  147.368   28.585 -67.86337 43.17727 
1 1 1    2   12   40 o   93.522   27.080   13.260   6.9373   15.305   9.1340   10.472   10.664   98.846   31.587   87.233   33.538 11.61249 46.07061 
1 1 1    2   12   41 o   44.949   21.362  -6.8256   6.7645  -7.0682   9.6383  -6.5901   9.4961   55.349   26.062   55.431   26.027 -0.8153915E-01 36.83213 
1 1 1    2   12   42 o  117.315   26.626   21.346   7.9059   13.443   11.830   27.725   10.628   91.933   35.328  129.690   31.866 -37.75679 47.57571 
1 1 1    2   12   43 o   61.555   27.058   1.1710   8.3307   4.1375   11.712  -1.8666   11.852   73.685   32.244   65.969   30.314 7.716347 44.25563 
1 1 1    2   12   44 o   71.506   28.448   6.8853   7.8959   21.369   10.550 -11.5558   11.905  108.254   33.868   55.732   26.963 52.52215 43.29035 
1 1 1    2   12   45 o   66.031   28.719   3.5462   9.1689   8.4720   16.723   1.4289   10.964   82.127   37.059   66.300   29.954 15.82694 47.65052 
1 1 1    2   12   46 o   87.367   33.743   14.370   10.833   10.470   13.633   21.050   17.843   80.883   35.099   95.308   40.739 -14.42543 53.77334 
1 1 1    2   12   47 o   60.667   26.352   3.1654   7.7002   5.4307   10.549   0.5814   11.266   69.089   30.407   63.622   29.352 5.466282 42.26206 
1 1 1    2   12   48 o   63.978   27.777   4.8562   8.5469   7.1631   12.121   2.5746   12.054   71.222   31.892   65.500   30.268 5.722336 43.96843 
1 1 1    2   13    0 o  213.091   11.521   59.144   6.3359   57.091   8.9017   61.251   9.0201  208.706   16.603  216.277   16.219 -7.570328 23.21041 
1 1 1    2   13    1 o  140.147   14.901   25.843   5.3264   37.609   7.6997   15.045   7.3761  168.909   17.870  104.999   26.976 63.90977 32.35796 
1 1 1    2   13    2 f  483.226   9.4509  303.026   11.830  306.144   16.851  299.996   16.611  485.220   13.407  480.332   13.351 4.888245 18.92078 
1 1 1    2   13    3 o   73.685   27.164   5.6939   6.8351   0.0000   0.0000   5.6939   6.8351  ?   ?    73.685   27.164 0.000000 27.16366 
1 1 1    2   13    4 o  287.137   10.298  107.074   7.6594  109.153   11.120  105.197   10.566  289.104   14.899  283.879   14.416 5.224976 20.73181 
1 1 1    2   13    5 o  278.265   10.336  100.588   7.4502   99.070   10.698  102.017   10.382  275.290   15.060  279.477   14.389 -4.187347 20.82890 
1 1 1    2   13    6 o  169.568   14.041   37.719   6.1117   43.528   8.8380   32.394   8.4608  181.338   19.103  155.623   21.569 25.71478 28.81195 
1 1 1    2   13    7 o  198.873   13.153   51.735   6.7376   52.621   9.9397   50.982   9.1643  199.416   19.492  196.526   18.209 2.889954 26.67402 
1 1 1    2   13    8 o  171.446   15.050   38.643   6.6159   48.292   9.8033   30.573   8.9653  190.801   20.140  150.503   23.788 40.29831 31.16820 
1 1 1    2   13    9 o  353.703   10.490  162.591   9.6109  159.847   14.009  165.030   13.210  350.001   15.452  355.815   14.333 -5.813965 21.07581 
1 1 1    2   13   10 o  512.760   11.399  341.755   15.140  401.100   28.447  318.304   17.882  553.479   19.842  494.409   13.963 59.06967 24.26260 
1 1 1    2   13   11 o  459.718   14.252  274.973   16.971   0.0000   0.0000  274.973   16.971  ?   ?   459.718   14.252 0.000000 14.25158 
1 1 1    2   13   12 o  676.622   14.738  595.332   25.831  606.800   37.428  584.900   35.696  681.647   21.198  669.391   20.587 12.25647 29.54918 
1 1 1    2   13   13 o  422.370   10.322  231.418   11.293  262.600   25.177  223.565   12.635  448.717   21.661  415.044   11.752 33.67276 24.64407 
1 1 1    2   13   14 o  296.978   12.600  114.454   9.6930   0.0000   0.0000  114.454   9.6930  ?   ?   296.978   12.600 0.000000 12.60043 
1 1 1    2   13   15 o  172.161   21.399   39.171   9.3368   0.0000   0.0000   39.171   9.3368  ?   ?   172.161   21.399 0.000000 21.39860 
1 1 1    2   13   16 o  300.857   11.864  117.407   9.2454   96.360   20.025  123.109   10.423  270.021   29.090  308.026   13.063 -38.00500 31.88831 
1 1 1    2   13   17 o  516.839   11.277  346.432   15.097  366.600   32.242  340.768   17.086  530.480   23.464  512.492   12.870 17.98749 26.76205 
1 1 1    2   13   18 o  259.069   15.653   87.477   10.455   42.550   24.794   97.192   11.530  176.738   51.202  273.050   16.377 -96.31236 53.75707 
1 1 1    2   13   19 o  782.924   12.980  795.474   26.324  777.400   46.710  803.887   31.866  772.259   23.351  786.699   15.638 -14.44025 28.10324 
1 1 1    2   13   20 o  908.703   11.522  1071.30   27.122  1071.42   38.453  1071.19   38.260  907.960   16.350  907.879   16.269 0.8093262E-01 23.06513 
1 1 1    2   13   21 o  1088.87   12.767  1539.16   36.009  1524.68   50.788  1553.79   51.063  1082.45   18.113  1092.76   18.040 -10.30676 25.56421 
1 1 1    2   13   22 o  676.685   10.766  594.148   18.871  585.627   26.978  602.310   26.406  671.150   15.518  680.732   14.975 -9.582153 21.56585 
1 1 1    2   13   23 o  392.347   11.192  199.816   11.375  192.851   16.398  206.274   15.791  384.952   16.445  398.251   15.308 -13.29916 22.46718 
1 1 1    2   13   24 o  284.662   12.236  105.266   9.0221   98.061   13.492  111.094   12.134  273.494   19.166  291.674   16.123 -18.18054 25.04559 
1 1 1    2   13   25 o  151.045   35.644   31.583   13.721   59.990   22.266   14.190   17.422  207.401   42.862  115.602   43.219 91.79951 60.86912 
1 1 1    2   13   26 o  363.939   11.375  172.140   10.724  183.209   15.827  162.746   14.581  374.774   16.303  353.281   15.933 21.49341 22.79610 
1 1 1    2   13   27 o   54.333   24.447  -3.3980   7.2166  -9.0228   9.9652   2.8050   10.465   57.979   27.040   77.804   32.087 -19.82529 41.96121 
1 1 1    2   13   28 o  350.385   17.265  160.836   15.670  160.836   15.670   0.0000   0.0000  350.385   17.265  ?   ?  0.000000 17.26498 
1 1 1    2   13   29 o  238.458   12.908   74.435   7.9433   72.998   11.389   75.796   11.084  234.721   18.892  239.448   18.003 -4.726501 26.09595 
1 1 1    2   13   30 o  149.918   19.919   30.242   7.5435   33.755   11.217   27.341   10.193  155.641   28.887  139.658   29.119 15.98245 41.01644 
1 1 1    2   13   31 o  195.098   15.196   50.333   7.6190   52.735   10.341   47.482   11.268  198.119   20.445  186.679   23.848 11.43932 31.41197 
1 1 1    2   13   32 o  138.956   26.582   27.069   9.2192   27.503   10.822   25.920   17.601  138.478   30.950  132.482   43.956 5.996414 53.75925 
1 1 1    2   13   33 o   50.201   23.115  -4.6905   6.9394   1.9593   7.6250 -36.7600   16.745   65.241   27.187   58.127   28.869 7.114368 39.65543 
1 1 1    2   13   34 o   51.383   23.293  -3.1699   6.6947 -12.2645   9.9616   4.3210   9.0408   53.165   25.447   74.347   30.140 -21.18254 39.44620 
1 1 1    2   13   35 o  133.865   45.780   28.940   19.086   28.940   19.086   0.0000   0.0000  133.865   45.780  ?   ?  0.000000 45.77955 
1 1 1    2   13   36 o   92.939   27.181   12.572   6.9579   19.842   10.769   7.3617   9.1162  113.888   33.949   80.207   30.961 33.68154 45.94676 
1 1 1    2   13   37 o  188.263   19.930   49.001   9.5712   41.763   12.240   60.390   15.354  167.824   29.219  201.463   30.365 -33.63892 42.14021 
1 1 1    2   13   38 o  141.426   21.614   28.354   7.6665   34.435   10.708   21.959   10.981  151.830   28.268  117.331   34.098 34.49855 44.29198 
1 1 1    2   13   39 o   75.303   27.957   7.4123   7.2652   11.185   10.174   3.4869   10.378   88.597   33.046   73.191   31.172 15.40650 45.42819 
1 1 1    2   13   40 o   62.691   25.911   3.0859   6.8447   5.9347   10.856   1.2064   8.8181   77.808   32.434   64.607   28.132 13.20161 42.93434 
1 1 1    2   13   41 o   58.888   25.605   0.8996   7.2849  -3.1113   10.390   4.7775   10.217   62.001   28.451   73.570   31.113 -11.56968 42.16011 
1 1 1    2   13   42 o   42.712   20.717  -9.7601   7.1448 -12.9458   9.3166  -5.2113   11.133   47.728   23.264   60.738   28.411 -13.01008 36.72036 
1 1 1    2   13   43 o   72.274   28.106   7.2495   7.5559   9.5802   9.8493   3.9159   11.779   80.077   31.800   72.661   32.048 7.416901 45.14738 
1 1 1    2   13   44 o   88.332   32.426   13.763   9.7251   12.584   12.586   15.510   15.321   85.901   35.279   91.115   38.293 -5.213348 52.06722 
1 1 1    2   13   45 o   90.458   33.332   15.365   10.290   9.6310   17.174   18.577   12.853   82.435   37.344   95.288   36.768 -12.85257 52.40631 
1 1 1    2   13   46 o   58.979   27.441  -1.8549   10.165  -7.6231   12.748   8.2170   16.845   58.837   28.324   78.800   36.184 -19.96333 45.95108 
1 1 1    2   13   47 o   63.174   27.054   4.6294   7.8947   12.941   12.528  -0.8455   10.168   80.842   34.335   59.096   27.478 21.74594 43.97660 
1 1 1    2   14    0 o  442.783   9.6484  254.675   11.066  270.047   15.936  240.358   15.379  455.306   13.512  429.491   13.824 25.81461 19.33039 
1 1 1    2   14    1 o  304.970   10.181  120.858   8.0429  118.908   11.455  122.755   11.296  301.966   14.645  306.872   14.210 -4.906982 20.40582 
1 1 1    2   14    2 o   60.079   25.453   0.4109   6.8571   0.0000   0.0000   0.4109   6.8571  ?   ?    60.079   25.453 0.000000 25.45304 
1 1 1    2   14    3 o  236.188   11.765   72.583   7.1977   72.381   10.365   72.771   10.003  234.641   17.173  235.409   16.508 -0.7676392 23.82105 
1 1 1    2   14    4 o  280.371   15.462  102.942   11.186   0.0000   0.0000  102.942   11.186  ?   ?   280.371   15.462 0.000000 15.46220 
1 1 1    2   14    5 o  382.408   9.9468  190.040   9.8528  193.151   14.079  187.055   13.793  384.865   14.123  378.754   14.059 6.111084 19.92765 
1 1 1    2   14    6 o  399.595   10.153  207.523   10.509  214.119   15.126  201.368   14.612  405.185   14.412  392.945   14.356 12.23965 20.34205 
1 1 1    2   14    7 o  228.725   12.355   68.279   7.2927   67.413   10.533   69.075   10.107  226.270   18.124  229.254   17.144 -2.984207 24.94742 
1 1 1    2   14    8 o  269.336   15.674   94.924   10.888   0.0000   0.0000   94.924   10.888  ?   ?   269.336   15.674 0.000000 15.67356 
1 1 1    2   14    9 o  230.398   18.727   69.778   11.080   0.0000   0.0000   69.778   11.080  ?   ?   230.398   18.727 0.000000 18.72703 
1 1 1    2   14   10 o  260.101   25.418   89.590   16.906   0.0000   0.0000   89.590   16.906  ?   ?   260.101   25.418 0.000000 25.41814 
1 1 1    2   14   11 o  543.076   11.949  382.901   16.808  378.310   20.775  391.600   28.599  539.455   14.868  547.999   20.148 -8.543335 25.03935 
1 1 1    2   14   12 o  403.190   11.045  210.904   11.536  210.171   16.911  211.543   15.776  402.087   16.237  403.499   15.094 -1.411804 22.16895 
1 1 1    2   14   13 o  241.502   18.628   76.307   11.563   86.770   15.352   62.590   17.577  256.940   23.321  216.144   32.393 40.79523 39.91469 
1 1 1    2   14   14 o  314.022   13.743  127.991   11.179   70.150   21.394  149.712   13.111  228.050   37.523  339.560   14.906 -111.5098 40.37486 
1 1 1    2   14   15 o  595.830   10.625  460.368   16.398  462.800   34.967  459.682   18.566  596.091   22.646  595.281   12.041 0.8101196 25.64842 
1 1 1    2   14   16 o  383.379   12.216  190.672   12.131  131.700   28.357  203.882   13.421  314.830   35.386  396.390   13.071 -81.56030 37.72302 
1 1 1    2   14   17 o  449.328   12.202  261.928   14.202  219.600   30.468  273.678   16.052  408.830   28.958  459.209   13.495 -50.37906 31.94798 
1 1 1    2   14   18 o  183.395   18.653   44.193   8.7380   56.600   19.872   41.219   9.7290  203.908   39.045  176.581   21.729 27.32715 44.68376 
1 1 1    2   14   19 o  904.323   11.967  1061.20   28.031  1009.00   55.162  1079.37   32.547  879.214   24.221  911.750   13.781 -32.53625 27.86705 
1 1 1    2   14   20 o  222.027   16.287   64.434   9.3017   79.420   22.169   61.232   10.247  242.773   36.373  216.117   18.483 26.65593 40.80011 
1 1 1    2   14   21 o  380.654   26.151  190.600   25.629  190.600   25.629   0.0000   0.0000  380.654   26.151  ?   ?  0.000000 26.15143 
1 1 1    2   14   22 o  575.526   10.476  429.842   15.618  419.972   21.788  440.272   22.399  568.323   14.801  581.886   14.861 -13.56384 20.97372 
1 1 1    2   14   23 o  109.108   25.316   16.234   7.0167   15.704   10.190   16.712   9.6766  108.633   33.169  111.136   31.926 -2.503395 46.03765 
1 1 1    2   14   24 o  346.130   19.062  156.924   17.024  150.700   25.542  161.900   22.837  336.519   29.604  350.108   25.353 -13.58841 38.97624 
1 1 1    2   14   25 o  279.881   12.564  101.878   9.1089   85.669   12.366  121.102   13.468  255.317   18.832  304.127   17.166 -48.81023 25.48158 
1 1 1    2   14   26 o   77.686   27.605   6.9771   6.9786   9.0720   10.104   5.0660   9.6504   90.459   33.074   80.033   31.573 10.42634 45.72502 
1 1 1    2   14   27 o   87.235   27.335   10.074   6.8694  -0.8581   10.181   19.211   9.3075   70.145   30.385  117.599   30.350 -47.45380 42.94591 
1 1 1    2   14   28 o   92.802   28.102   11.674   7.3362   5.2712   10.805   17.151   9.9927   83.045   33.200  111.206   32.588 -28.16076 46.52140 
1 1 1    2   14   29 o   78.144   26.080   7.8346   6.1929   6.9280   7.9926   9.1966   9.7961   79.270   29.344   89.033   32.565 -9.762939 43.83568 
1 1 1    2   14   30 o  244.775   14.108   78.838   8.9070   79.564   12.848   78.166   12.359  243.791   20.537  241.863   19.904 1.927567 28.59936 
1 1 1    2   14   31 o  308.534   17.640  126.471   14.040   0.0000   0.0000  126.471   14.040  ?   ?   308.534   17.640 0.000000 17.64045 
1 1 1    2   14   32 o  229.366   14.436   69.559   8.5332   84.147   12.169   55.446   11.969  250.608   18.885  201.275   23.394 49.33267 30.06481 
1 1 1    2   14   33 o   77.751   31.555   4.7862   9.9214   4.7862   9.9214   0.0000   0.0000   77.751   31.555  ?   ?  0.000000 31.55533 
1 1 1    2   14   34 o   83.491   31.982   7.9320   9.6759   7.9320   9.6759   0.0000   0.0000   83.491   31.982  ?   ?  0.000000 31.98178 
1 1 1    2   14   35 o   51.386   24.392  -9.1851   8.7692 -13.2500   19.403  -8.1417   9.8306   78.091   36.833   56.494   26.512 21.59759 45.38205 
1 1 1    2   14   36 o  171.557   23.996   41.800   10.372   43.440   14.417   40.040   14.932  167.698   34.344  158.731   37.000 8.966599 50.48267 
1 1 1    2   14   37 o   40.568   19.493  -7.8377   5.9727  -0.1819   7.6720 -19.6173   9.5164   59.423   26.047   44.541   22.059 14.88203 34.13242 
1 1 1    2   14   38 o  270.417   18.103  100.539   12.607   0.0000   0.0000  100.539   12.607  ?   ?   270.417   18.103 0.000000 18.10337 
1 1 1    2   14   39 o  109.571   25.421   18.046   7.0755   24.229   11.391   14.161   9.0282  120.972   34.606   95.172   31.477 25.79986 46.78008 
1 1 1    2   14   40 f   49.158   22.601  -3.2695   6.5998  -8.8904   8.5108   5.2087   10.453   49.298   23.577   75.072   31.594 -25.77356 39.42130 
1 1 1    2   14   41 o  111.141   27.527   19.539   7.8835   16.963   10.714   22.581   11.642   99.570   34.290  112.914   35.616 -13.34429 49.43948 
1 1 1    2   14   42 o  122.475   28.336   24.333   8.8112   39.518   12.761   10.497   12.181  151.431   33.427   84.190   34.657 67.24123 48.15061 
1 1 1    2   14   43 o   40.665   19.954 -11.5858   7.2010 -19.9623   11.844  -6.6731   9.0700   49.426   24.501   52.068   24.743 -2.641712 34.82116 
1 1 1    2   14   44 o   97.179   34.411   18.241   10.834   26.400   18.884   14.237   13.228  103.325   42.898   87.572   36.091 15.75259 56.06061 
1 1 1    2   14   45 o   90.441   31.969   15.419   9.3473   27.900   13.419   3.6568   13.028  112.493   38.387   70.815   32.252 41.67817 50.13754 
1 1 1    2   14   46 o   49.171   23.184  -4.0635   7.6741 -13.8754   11.534   3.7297   10.279   50.818   24.999   65.773   29.417 -14.95527 38.60447 
1 1 1    2   14   47 o   53.633   25.125  -2.2004   8.7642  -7.1828   12.388   2.7922   12.401   56.498   27.374   65.784   30.505 -9.286270 40.98664 
1 1 1    2   15    0 o  104.505   22.141   14.911   5.8073   11.158   8.0516   18.980   8.3841   92.329   29.672  117.201   28.000 -24.87297 40.79763 
1 1 1    2   15    1 o  115.424   21.097   18.045   6.0752   23.816   8.6566   12.444   8.5281  131.850   26.269   96.818   30.476 35.03151 40.23499 
1 1 1    2   15    2 o  283.981   11.120  104.886   8.1801   92.945   11.643  116.526   11.495  266.065   16.982  298.837   14.851 -32.77222 22.55950 
1 1 1    2   15    3 o  293.717   11.071  112.183   8.4232  105.619   11.913  118.746   11.912  283.880   16.268  301.254   15.316 -17.37366 22.34308 
1 1 1    2   15    4 o  224.850   12.579   66.011   7.2972   61.129   10.733   70.207   9.9510  215.113   19.473  231.213   16.728 -16.09996 25.67147 
1 1 1    2   15    5 o  488.788   10.046  310.352   12.720  324.612   18.424  297.363   17.583  499.141   14.250  477.740   14.209 21.40100 20.12293 
1 1 1    2   15    6 o  268.575   16.667   94.466   11.538   0.0000   0.0000   94.466   11.538  ?   ?   268.575   16.667 0.000000 16.66676 
1 1 1    2   15    7 o  556.553   14.416  403.133   20.783  410.300   30.095  396.600   28.735  560.023   20.746  550.753   20.142 9.270752 28.91553 
1 1 1    2   15    8 o  422.443   20.286  233.100   22.198   0.0000   0.0000  233.100   22.198  ?   ?   422.443   20.286 0.000000 20.28585 
1 1 1    2   15    9 o  748.134   15.269  727.865   29.589  726.100   42.034  729.600   41.661  745.662   21.762  747.526   21.515 -1.864441 30.60237 
1 1 1    2   15   10 f  498.997   10.668  323.045   13.789  324.982   19.918  321.262   19.108  500.029   15.378  497.220   14.836 2.808685 21.36831 
1 1 1    2   15   11 o  652.551   12.268  552.608   20.737  553.200   35.016  552.289   25.735  651.691   20.743  652.009   15.238 -0.3176880 25.73851 
1 1 1    2   15   12 o   96.122   34.293   10.422   10.780  -4.6510   15.512   24.500   14.991   82.990   36.682  135.161   40.002 -52.17022 54.27432 
1 1 1    2   15   13 o  551.824   11.146  394.954   15.932  385.778   22.749  403.785   22.318  544.950   16.116  557.591   15.452 -12.64075 22.32725 
1 1 1    2   15   14 o  535.526   13.069  372.153   18.129  352.700   32.723  380.768   21.777  520.108   24.289  541.473   15.526 -21.36517 28.82752 
1 1 1    2   15   15 o  1066.03   13.164  1474.75   36.351  1417.00   72.669  1494.03   41.982  1041.68   26.932  1072.64   15.110 -30.96045 30.88077 
1 1 1    2   15   16 o  701.649   11.521  638.623   20.939  597.200   43.689  650.975   23.857  676.552   24.930  708.249   13.004 -31.69672 28.11752 
1 1 1    2   15   17 o  792.724   11.629  815.292   23.879  765.000   47.299  832.496   27.664  765.773   23.845  800.826   13.336 -35.05341 27.32121 
1 1 1    2   15   18 o  282.623   13.424  103.710   9.8276   58.950   23.314  113.382   10.838  206.703   44.833  295.467   14.160 -88.76385 47.01587 
1 1 1    2   15   19 o  411.183   11.501  219.412   12.250  157.300   23.458  242.701   14.364  345.705   26.395  432.350   12.826 -86.64474 29.34620 
1 1 1    2   15   20 o  379.434   15.316  187.191   15.054  185.700   27.326  187.841   18.038  375.134   28.330  379.772   18.336 -4.638306 33.74628 
1 1 1    2   15   21 o   77.769   29.402   5.7886   8.1107 -17.8300   21.573   9.6768   8.7529   86.411   40.127   89.801   30.989 -3.390511 50.70055 
1 1 1    2   15   22 o  100.463   30.111   13.467   8.4545   41.160   20.395   7.7212   9.2903  171.583   45.243   85.726   31.656 85.85712 55.21823 
1 1 1    2   15   23 o  166.661   29.238   37.701   12.162   22.270   20.368   46.250   15.161  134.308   47.220  184.057   33.013 -49.74857 57.61618 
1 1 1    2   15   24 o  304.789   12.255  120.796   9.6751  116.761   13.474  125.091   13.902  298.539   17.500  309.051   17.437 -10.51218 24.70384 
1 1 1    2   15   25 f  218.237   16.495   62.551   9.2560   63.150   13.717   62.050   12.541  217.421   24.801  216.015   22.756 1.405624 33.65866 
1 1 1    2   15   26 o   42.815   20.299  -7.1891   6.0366  -5.9193   7.8508  -9.0258   9.4417   53.154   24.515   55.796   26.120 -2.642086 35.82224 
1 1 1    2   15   27 o   94.071   27.666   12.078   7.1908   12.489   10.046   11.647   10.298   98.387   33.215   96.569   33.596 1.817528 47.24340 
1 1 1    2   15   28 o  126.812   23.792   22.095   7.5283   20.237   11.059   23.699   10.277  119.623   34.056  129.540   31.035 -9.916977 46.07549 
1 1 1    2   15   29 o   46.901   21.425  -3.5856   5.8035   8.7398   9.6200 -10.6381   7.2768   87.178   32.209   44.352   21.363 42.82644 38.64975 
1 1 1    2   15   30 o  183.436   14.835   44.548   6.9886   39.730   10.598   48.256   9.2963  169.863   24.818  189.625   19.191 -19.76192 31.37217 
1 1 1    2   15   31 o  255.100   20.738   87.732   13.585   87.732   13.585   0.0000   0.0000  255.100   20.738  ?   ?  0.000000 20.73818 
1 1 1    2   15   32 o   79.749   26.351   8.5216   6.3277   15.067   7.8385  -3.7240   10.721  102.445   28.499   65.913   29.714 36.53213 41.17208 
1 1 1    2   15   33 o  118.251   26.988   20.153   8.0844   26.572   10.871   12.210   12.093  133.997   31.798   97.087   36.064 36.91103 48.08015 
1 1 1    2   15   34 o   86.427   34.044   8.2264   11.204  -6.6670   16.602   20.680   15.182   77.704   35.770  116.261   40.773 -38.55685 54.23965 
1 1 1    2   15   35 o   76.427   27.823   7.4682   7.1385   11.455   10.622   4.1847   9.6399   91.701   33.852   74.178   30.711 17.52289 45.70751 
1 1 1    2   15   36 o  162.961   18.992   36.731   7.8663   33.005   9.9596   42.910   12.825  149.981   26.611  168.561   30.497 -18.57994 40.47447 
1 1 1    2   15   37 o   74.088   26.835   7.2985   6.6289  -7.6702   10.597   16.921   8.4966   58.443   27.458  104.582   29.877 -46.13829 40.57824 
1 1 1    2   15   38 o  160.413   19.905   36.252   8.0930   32.047   11.539   40.324   11.354  141.954   32.130  163.464   27.811 -21.50974 42.49426 
1 1 1    2   15   39 o   68.748   26.363   5.8073   6.5794   8.3841   8.2034   1.1607   11.016   78.296   29.577   69.844   30.889 8.451881 42.76599 
1 1 1    2   15   40 o   97.098   29.810   15.255   8.2173   13.018   11.702   17.431   11.542   90.850   35.075  100.677   35.531 -9.826988 49.92707 
1 1 1    2   15   41 o   55.328   25.052  -1.4516   7.7190   2.2229   11.320  -4.6446   10.553   70.089   31.140   59.469   27.765 10.61930 41.72039 
1 1 1    2   15   42 o   50.088   23.112  -2.8741   6.9908  -8.9127   10.145   2.5868   9.6471   53.151   25.504   66.134   29.093 -12.98306 38.68900 
1 1 1    2   15   43 o   49.506   23.937  -9.6840   9.3510   0.2032   10.975 -35.8800   17.864   64.487   29.460   54.730   27.558 9.757847 40.34038 
1 1 1    2   15   44 o   51.426   24.495  -6.1564   8.9944  -9.5943   12.856  -2.8602   12.588   57.898   28.012   63.258   29.785 -5.359936 40.88816 
1 1 1    2   15   45 o  142.335   30.790   36.646   11.022   34.144   14.098   40.580   17.676  122.196   39.263  122.705   43.899 -0.5093536 58.89587 
1 1 1    2   15   46 o   44.622   21.827 -10.2587   8.4147  -6.7414   12.089 -13.5640   11.719   56.677   27.359   50.843   25.048 5.833931 37.09368 
1 1 1    2   15   47 o   66.134   27.965   6.9024   8.2520   13.128   10.786  -1.8862   12.815   78.193   32.439   60.480   28.926 17.71346 43.46237 
1 1 1    2   16    0 o  156.280   19.738   32.447   7.8122   15.220   13.183   41.770   9.6984  110.596   38.039  177.245   21.569 -66.64869 43.72871 
1 1 1    2   16    1 o  357.158   12.128  165.843   11.220  159.300   19.235  169.217   13.814  348.000   21.443  360.438   14.796 -12.43777 26.05234 
1 1 1    2   16    2 o  485.299   13.880  306.502   17.448  293.500   24.447  320.000   24.909  473.688   19.924  494.728   19.437 -21.04013 27.83488 
1 1 1    2   16    3 o  424.240   14.348  234.257   15.767  242.000   22.511  226.800   22.091  430.153   20.203  416.368   20.483 13.78455 28.76985 
1 1 1    2   16    4 o  303.984   15.547  120.647   12.201  111.400   16.675  131.300   17.898  290.814   22.306  315.923   22.009 -25.10892 31.33634 
1 1 1    2   16    5 o  719.515   12.380  672.656   23.073  698.310   28.951  628.000   38.197  732.499   15.258  693.057   21.277 39.44165 26.18254 
1 1 1    2   16    6 o  837.153   13.044  910.563   28.286  892.686   34.368  948.100   49.800  828.227   16.020  851.542   22.577 -23.31506 27.68337 
1 1 1    2   16    7 o  442.489   12.355  254.236   14.161  186.800   23.291  293.788   17.837  377.224   23.961  475.437   14.484 -98.21381 27.99801 
1 1 1    2   16    8 o  284.960   25.392  107.000   18.546  107.000   18.546   0.0000   0.0000  284.960   25.392  ?   ?  0.000000 25.39166 
1 1 1    2   16    9 o  273.754   17.640   97.872   12.442  104.900   17.338   90.410   17.865  282.507   23.917  261.612   26.739 20.89447 35.87485 
1 1 1    2   16   10 o  470.514   15.405  287.593   18.775  292.100   26.881  283.300   26.236  473.455   21.919  466.294   21.721 7.160858 30.85850 
1 1 1    2   16   11 o  551.711   10.732  394.775   15.337  415.206   22.185  376.071   21.227  565.416   15.148  538.103   15.229 27.31360 21.47989 
1 1 1    2   16   12 o  605.917   11.131  476.191   17.470  491.928   25.105  461.418   24.325  615.398   15.749  596.008   15.756 19.38971 22.27755 
1 1 1    2   16   13 o  507.683   11.989  334.378   15.766  307.153   22.781  359.404   21.841  486.053   18.094  525.989   16.031 -39.93610 24.17397 
1 1 1    2   16   14 o  890.506   12.692  1029.04   29.277  1020.28   41.667  1037.58   41.145  885.817   18.159  893.364   17.780 -7.546753 25.41465 
1 1 1    2   16   15 o  742.248   11.498  714.728   22.106  778.600   48.722  698.170   24.807  772.469   24.350  733.423   13.058 39.04614 27.62979 
1 1 1    2   16   16 o  148.846   20.832   29.414   7.8117   14.860   17.973   32.804   8.6739  118.785   43.997  157.156   21.903 -38.37129 49.14759 
1 1 1    2   16   17 o  223.475   16.586   65.294   9.5328   25.720   22.251   74.191   10.550  143.905   49.424  238.213   17.214 -94.30765 52.33548 
1 1 1    2   16   18 o  470.249   11.332  286.987   13.804  273.700   30.779  290.333   15.444  456.506   26.137  472.867   12.609 -16.36115 29.01958 
1 1 1    2   16   19 o  187.371   20.079   46.301   9.5934   15.510   22.915   52.845   10.564  127.761   49.151  200.212   20.666 -72.45100 53.31928 
1 1 1    2   16   20 o  450.287   11.834  263.308   13.803  215.500   28.730  277.655   15.739  404.062   27.615  462.247   13.144 -58.18481 30.58357 
1 1 1    2   16   21 f  301.273   14.022  118.049   10.943  105.400   26.010  120.770   12.062  279.042   36.890  304.216   15.357 -25.17468 39.95873 
1 1 1    2   16   22 o  367.462   19.267  176.905   18.275  197.800   28.435  162.200   23.855  386.030   28.641  350.007   26.508 36.02350 39.02586 
1 1 1    2   16   23 f  174.054   20.618   40.224   9.1150   41.730   22.158   39.918  10.0000  171.510   47.989  172.890   22.893 -1.379730 53.16993 
1 1 1    2   16   24 o  388.578   16.134  197.161   16.240   0.0000   0.0000  197.161   16.240  ?   ?   388.578   16.134 0.000000 16.13414 
1 1 1    2   16   25 o  191.606   25.208   49.437   12.207   49.380   22.629   49.460   14.498  184.390   47.184  190.047   30.481 -5.657288 56.17287 
1 1 1    2   16   26 o  217.248   21.760   62.991   12.080   62.991   12.080   0.0000   0.0000  217.248   21.760  ?   ?  0.000000 21.75965 
1 1 1    2   16   27 o  185.089   15.269   45.213   7.2550   42.443   10.600   47.653   9.9507  176.970   23.721  188.624   20.707 -11.65387 31.48749 
1 1 1    2   16   28 o  195.602   15.772   50.635   7.9233   40.251   11.886   58.941   10.630  170.281   27.914  209.907   19.783 -39.62605 34.21367 
1 1 1    2   16   29 o   71.485   27.392   5.0993   7.0993   8.6904   10.407   1.9736   9.7092   88.207   33.315   72.407   30.460 15.80071 45.14099 
1 1 1    2   16   30 o  239.895   14.344   76.037   8.8726   84.654   12.759   67.968   12.347  250.997   19.785  223.984   21.546 27.01241 29.25230 
1 1 1    2   16   31 f   86.178   29.109   9.9574   7.7157   12.130   10.465   7.3700   11.421   95.580   33.821   86.555   34.284 9.025238 48.15874 
1 1 1    2   16   32 o  108.952   27.791   17.197   7.8683   12.979   10.737   22.090   11.564   97.339   34.278  121.216   34.924 -23.87717 48.93557 
1 1 1    2   16   33 o   87.961   35.894   7.2855   12.924   24.820   20.627  -4.0470   16.583  125.702   47.020   80.454   36.544 45.24769 59.55152 
1 1 1    2   16   34 o   55.077   25.490  -5.4372   8.5975  -4.6114   10.242  -7.4070   15.819   61.907   28.348   74.322   34.460 -12.41478 44.62220 
1 1 1    2   16   35 o  157.367   29.726   37.200   11.673   37.200   11.673   0.0000   0.0000  157.367   29.726  ?   ?  0.000000 29.72624 
1 1 1    2   16   36 o  134.893   23.784   26.409   8.0066   36.842   11.493   16.570   11.160  155.662   29.585  102.443   35.007 53.21958 45.83410 
1 1 1    2   16   37 o   78.371   28.258   8.5665   7.3382   9.4553   10.157   7.5959   10.614   84.122   32.622   80.881   32.703 3.241272 46.19189 
1 1 1    2   16   38 o   58.579   25.373   0.9106   7.0984  -9.6755   9.2803   15.836   11.020   51.311   24.560   98.580   34.725 -47.26870 42.53308 
1 1 1    2   16   39 o   68.704   28.046   4.8932   7.8939   3.2786   11.321   6.4210   11.012   72.947   31.816   77.578   32.527 -4.631241 45.50059 
1 1 1    2   16   40 o  167.976   19.289   40.430   8.2407   55.452   12.465   28.766   10.983  190.072   25.998  129.923   32.670 60.14928 41.75206 
1 1 1    2   16   41 o   70.485   27.228   6.9047   7.0548   9.6459   10.519   4.6638   9.5108   80.389   32.539   69.609   29.748 10.78015 44.08777 
1 1 1    2   16   42 o   77.285   30.181   9.4098   8.7411   16.101   12.609   3.2184   12.129   91.719   36.119   70.609   31.739 21.11000 48.08298 
1 1 1    2   16   43 o   53.419   25.729  -8.5608   10.551 -25.4700   19.817  -1.8704   12.465   61.447   30.661   64.132   30.019 -2.685066 42.90902 
1 1 1    2   16   44 o   50.252   23.864  -5.2379   8.4108  -2.2780   11.815  -8.2793   11.976   61.551   28.942   56.360   27.212 5.190502 39.72610 
1 1 1    2   16   45 o   81.750   29.702   12.581   8.1296   18.731   11.629   6.7028   11.370   91.855   35.090   70.569   31.287 21.28548 47.01302 
1 1 1    2   16   46 o   56.926   26.184   0.5487   8.8716  -1.3729   12.658   2.4043   12.438   61.196   29.123   64.602   30.156 -3.406231 41.92294 
1 1 1    2   17    0 o  322.056   12.859  134.741   10.727  157.500   19.211  124.429   12.931  346.605   21.503  308.792   16.223 37.81342 26.93690 
1 1 1    2   17    1 o  656.415   14.743  560.247   25.068   0.0000   0.0000  560.247   25.068  ?   ?   656.415   14.743 0.000000 14.74314 
1 1 1    2   17    2 o  653.505   10.695  554.234   18.104  563.375   26.057  545.704   25.172  658.182   15.284  647.826   15.001 10.35596 21.41524 
1 1 1    2   17    3 o  125.126   26.290   21.269   8.2500   20.870   14.583   21.457   10.005  125.974   39.875  125.259   31.003 0.7145996 50.50951 
1 1 1    2   17    4 o  410.802   12.170  219.086   12.950  229.400   22.441  213.935   15.857  419.428   20.655  405.686   15.090 13.74164 25.58010 
1 1 1    2   17    5 o  281.583   18.231  103.633   13.226  113.200   18.677   94.010   18.731  293.256   24.820  266.524   27.529 26.73251 37.06588 
1 1 1    2   17    6 o  253.226   18.516   83.894   12.061   64.840   17.563  100.900   16.592  220.015   31.735  277.084   23.335 -57.06953 39.39038 
1 1 1    2   17    7 o  507.865   14.704  335.028   19.343  316.700   26.169  357.100   28.718  493.104   20.488  523.511   21.178 -30.40701 29.46645 
1 1 1    2   17    8 o  675.374   12.651  591.979   22.132  571.861   26.706  636.100   39.549  663.451   15.540  698.662   21.854 -35.21136 26.81539 
1 1 1    2   17    9 o  381.407   11.404  188.713   11.266  192.604   16.318  185.168   15.574  384.988   16.363  377.517   15.926 7.471741 22.83400 
1 1 1    2   17   10 f  1031.02   12.715  1379.48   33.958  1396.43   48.772  1363.54   47.310  1036.27   18.170  1024.07   17.835 12.20386 25.46032 
1 1 1    2   17   11 o  229.216   17.925   68.726   10.558   59.609   14.782   78.222   15.086  211.819   27.596  243.710   24.217 -31.89133 36.71520 
1 1 1    2   17   12 o  916.302   12.544  1089.54   29.773  1092.18   42.245  1086.92   41.967  916.514   17.795  914.321   17.720 2.193726 25.11245 
1 1 1    2   17   13 o  201.173   21.471   53.313   11.015   38.751   15.560   67.941   15.596  168.366   36.714  226.401   27.135 -58.03438 45.65300 
1 1 1    2   17   14 o  306.145   14.404  121.729   11.422  123.472   17.704  120.487   14.950  306.915   22.425  303.664   19.104 3.251007 29.45904 
1 1 1    2   17   15 o  468.218   16.564  285.063   20.089  285.063   20.089   0.0000   0.0000  468.218   16.564  ?   ?  0.000000 16.56361 
1 1 1    2   17   16 f  262.126   14.508   89.553   9.8121  103.600   21.139   85.695   11.078  279.409   29.661  256.122   16.791 23.28735 34.08340 
1 1 1    2   17   17 o  218.651   17.496   62.632   9.8263   63.430   24.032   62.472   10.767  213.984   44.794  218.108   19.256 -4.124084 48.75740 
1 1 1    2   17   18 o  222.237   17.049   64.681   9.7395   17.940   23.864   74.022   10.668  132.759   50.375  237.774   17.443 -105.0145 53.30959 
1 1 1    2   17   19 o  188.513   18.141   46.751   8.7492   29.170   24.934   49.220   9.3433  151.488   52.302  193.345   18.898 -41.85651 55.61105 
1 1 1    2   17   20 o  278.937   16.680  101.754   11.996  108.500   23.461   99.366   13.959  284.397   32.427  275.102   19.720 9.295624 37.95213 
1 1 1    2   17   21 o  290.414   23.367  111.407   17.429   87.610   26.866  128.700   22.903  251.363   42.796  310.788   28.776 -59.42435 51.57065 
1 1 1    2   17   22 o   93.777   30.264   11.412   8.3691   30.870   23.271   8.5213   8.9691  151.468   50.556   86.715   31.244 64.75298 59.43196 
1 1 1    2   17   23 o  406.559   14.226  215.483   14.982   0.0000   0.0000  215.483   14.982  ?   ?   406.559   14.226 0.000000 14.22598 
1 1 1    2   17   24 o  568.094   13.596  420.914   20.006  356.000   34.666  453.332   24.498  517.765   25.848  588.754   16.063 -70.98914 30.43238 
1 1 1    2   17   25 o  407.162   12.203  216.155   12.870  278.700   30.693  202.811   14.177  456.253   26.079  394.005   13.891 62.24753 29.54749 
1 1 1    2   17   26 o   97.589   29.860   13.042   8.2528   1.6070   23.208   14.697   8.8299  105.537   45.796  103.028   30.748 2.508568 55.16046 
1 1 1    2   17   27 f  184.214   22.352   45.932   10.447   38.440   25.999   47.375   11.409  158.442   53.435  186.456   24.192 -28.01425 58.65585 
1 1 1    2   17   28 o   53.786   23.198  -0.2264   5.8828   3.1451   7.9589  -4.2866   8.7342   69.252   28.203   58.474   26.545 10.77752 38.73082 
1 1 1    2   17   29 o  210.928   14.837   58.937   8.0548   51.068   12.258   64.915   10.685  192.231   25.228  219.917   18.942 -27.68651 31.54750 
1 1 1    2   17   30 o  379.957   13.110  189.923   12.903  177.792   16.421  209.500   20.860  365.502   17.344  394.196   20.500 -28.69479 26.85278 
1 1 1    2   17   31 o  346.243   13.639  158.249   12.233  147.584   15.762  174.400   19.397  331.344   18.438  358.370   20.987 -27.02585 27.93553 
1 1 1    2   17   32 o  147.577   25.812   31.082   9.5079   31.304   11.644   30.640   16.470  144.818   31.903  137.613   42.195 7.205002 52.89841 
1 1 1    2   17   33 o  107.936   30.237   17.509   8.7915   19.800   19.382   16.915   9.8647  114.971   44.930  105.695   32.698 9.276260 55.56812 
1 1 1    2   17   34 o   95.867   28.934   13.769   7.7864   36.850   12.116  -2.4728   10.163  155.638   31.140   64.058   28.899 91.57944 42.48357 
1 1 1    2   17   35 o   73.019   30.298   4.4827   9.4116   4.4827   9.4116   0.0000   0.0000   73.019   30.298  ?   ?  0.000000 30.29785 
1 1 1    2   17   36 o  172.822   22.536   42.914   9.8485   47.916   11.883   31.940   17.600  179.702   26.308  130.555   43.964 49.14668 51.23425 
1 1 1    2   17   37 o   58.436   25.143   1.2027   6.8776   11.864   9.2409 -12.0368   10.298   88.295   31.724   52.457   25.304 35.83824 40.57998 
1 1 1    2   17   38 o   97.716   28.259   15.145   7.5587   11.085   11.345   18.387   10.136   86.945   34.255  104.510   33.262 -17.56528 47.74640 
1 1 1    2   17   39 o  110.926   26.290   19.317   7.4386   31.235   10.515   7.3765   10.525  138.370   30.186   77.570   32.101 60.79996 44.06399 
1 1 1    2   17   40 f   62.985   26.610   3.3829   7.4616   11.282   11.892  -1.7462   9.5828   84.690   34.481   59.892   27.424 24.79869 44.05643 
1 1 1    2   17   41 o   62.975   27.344   2.8395   8.2839   2.9003   12.151   2.7867   11.323   70.368   31.686   68.845   30.826 1.522232 44.20726 
1 1 1    2   17   42 o   88.537   36.721   15.554   13.816   12.550   20.111   18.240   19.014   85.726   39.427   91.329   40.477 -5.602898 56.50574 
1 1 1    2   17   43 o  126.323   28.184   27.620   8.9881   37.076   12.826   18.496   12.599  135.426   35.960   92.537   36.208 42.88860 51.03026 
1 1 1    2   17   44 o   93.838   35.468   19.647   11.801   19.160   16.903   20.110   16.484   88.022   38.620   89.480   38.712 -1.457710 54.68207 
1 1 1    2   17   45 o  101.861   30.677   20.601   8.7598   30.066   12.685   11.971   12.112  111.868   37.325   77.053   33.259 34.81535 49.99316 
1 1 1    2   17   46 o   60.654   26.655   4.5210   8.0802   7.2395   10.317   0.2083   12.995   67.100   29.774   61.594   29.367 5.505581 41.81962 
1 1 1    2   18    0 o  291.891   12.925  110.609   9.7721  123.580   14.693  100.321   13.086  307.596   18.527  277.053   18.338 30.54306 26.06787 
1 1 1    2   18    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   18    2 o  692.705   10.958  622.512   19.663  732.808   30.287  542.158   25.852  750.928   15.571  645.918   15.451 105.0101 21.93604 
1 1 1    2   18    3 o  721.444   15.757  676.415   29.447  676.415   29.447   0.0000   0.0000  721.444   15.757  ?   ?  0.000000 15.75736 
1 1 1    2   18    4 o  1231.32   16.001  1970.44   51.036  2180.00   96.692  1889.50   60.088  1290.11   28.934  1204.84   19.254 85.27283 34.75459 
1 1 1    2   18    5 o  780.839   13.088  791.461   26.472  725.100   44.345  828.202   32.996  745.632   22.960  798.317   15.956 -52.68457 27.96001 
1 1 1    2   18    6 o  362.224   13.233  170.318   12.416  200.900   22.642  157.168   14.847  391.948   22.395  347.742   16.483 44.20563 27.80672 
1 1 1    2   18    7 o  203.261   17.825   54.134   9.2902   59.821   13.494   49.010   12.809  212.644   24.974  191.912   26.472 20.73216 36.39343 
1 1 1    2   18    8 o  177.564   21.032   41.630   9.4857   36.556   14.218   45.699   12.734  163.767   34.601  185.020   27.398 -21.25240 44.13513 
1 1 1    2   18    9 o  567.455   11.819  417.786   17.372  421.773   24.494  413.749   24.643  569.665   16.600  564.189   16.862 5.476257 23.66185 
1 1 1    2   18   10 o  258.837   18.363   87.581   12.232  114.504   19.183   69.134   15.879  295.056   25.345  228.348   27.392 66.70827 37.31931 
1 1 1    2   18   11 o  443.014   13.136  254.772   15.074  249.923   21.574  259.397   21.070  438.228   19.006  446.545   18.216 -8.316589 26.32560 
1 1 1    2   18   12 o  510.428   11.743  338.086   15.526  353.263   22.432  324.131   21.510  521.258   16.614  499.300   16.631 21.95761 23.50768 
1 1 1    2   18   13 o  612.513   11.547  486.863   18.321  499.819   26.140  474.353   25.686  620.006   16.276  603.984   16.418 16.02197 23.11852 
1 1 1    2   18   14 o  482.590   12.033  302.320   15.042  296.974   21.245  307.694   21.299  477.740   17.168  486.320   16.908 -8.580139 24.09593 
1 1 1    2   18   15 o  313.130   19.506  128.292   15.743   0.0000   0.0000  128.292   15.743  ?   ?   313.130   19.506 0.000000 19.50631 
1 1 1    2   18   16 o  202.178   23.796   54.200   12.224   47.400   19.945   58.291   15.469  184.771   42.551  208.549   29.456 -23.77838 51.75169 
1 1 1    2   18   17 o  574.668   11.325  428.801   16.858  437.500   37.758  426.635   18.839  577.573   25.238  573.029   12.692 4.544189 28.24987 
1 1 1    2   18   18 f  490.650   13.854  313.088   17.608  194.700   31.461  367.086   21.247  382.235   32.071  531.012   15.447 -148.7775 35.59763 
1 1 1    2   18   19 o  617.715   14.168  496.560   22.669  421.700   39.232  534.083   27.775  565.796   26.769  640.021   16.754 -74.22552 31.57935 
1 1 1    2   18   20 o  549.643   25.085  397.800   35.714  397.800   35.714   0.0000   0.0000  549.643   25.085  ?   ?  0.000000 25.08480 
1 1 1    2   18   21 o  196.561   27.193   52.040   13.474   10.250   25.960   67.450   15.764  123.875   50.747  224.062   27.755 -100.1866 57.84168 
1 1 1    2   18   22 o  280.979   17.492  103.705   12.668   0.0000   0.0000  103.705   12.668  ?   ?   280.979   17.492 0.000000 17.49241 
1 1 1    2   18   23 o  176.166   24.731   41.904   10.974   1.5180   24.640   51.898   12.257  109.946   47.448  196.411   24.634 -86.46522 53.46135 
1 1 1    2   18   24 o  115.973   30.176   18.823   9.1519   22.900   22.754   18.036   9.9960  134.408   49.560  113.670   32.383 20.73763 59.20182 
1 1 1    2   18   25 o   85.543   29.422   9.2426   7.8868   26.190   18.339   5.3968   8.7359  135.642   44.861   77.311   30.178 58.33079 54.06670 
1 1 1    2   18   26 o  242.204   15.459   77.454   9.6481   80.900   25.046   76.853   10.455  233.785   42.941  240.825   16.866 -7.039322 46.13437 
1 1 1    2   18   27 o  156.775   23.364   33.757   9.1982   63.000   25.138   29.237   9.8836  199.972   48.931  144.176   27.468 55.79581 56.11314 
1 1 1    2   18   28 f  119.996   27.099   20.494   8.2239   5.6790   24.785   22.327   8.7179  109.027   47.318  125.168   27.628 -16.14143 54.79303 
1 1 1    2   18   29 o   57.430   26.806  -7.8783   9.8264 -38.9700   23.380  -1.2080   10.829   72.686   35.725   69.816   30.764 2.870056 47.14540 
1 1 1    2   18   30 o  128.737   21.263   22.982   6.8430   16.081   9.4469   30.600   9.9257  104.877   31.918  146.279   27.197 -41.40246 41.93382 
1 1 1    2   18   31 o   53.763   25.098  -6.7541   8.6173   1.7528   9.9291 -32.7200   17.347   71.111   30.393   60.781   30.044 10.32935 42.73572 
1 1 1    2   18   32 o   75.635   29.466   6.2442   8.3160   13.610   21.239   4.9106   9.0375  107.628   45.152   74.279   30.127 33.34878 54.28061 
1 1 1    2   18   33 o   99.321   27.033   14.706   7.1412   23.770   10.809   7.6854   9.5130  123.116   33.155   80.686   31.492 42.42934 45.72737 
1 1 1    2   18   34 o  157.973   24.875   36.361   9.8423   39.210   14.057   33.620   13.786  155.506   35.657  142.413   37.026 13.09308 51.40345 
1 1 1    2   18   35 o  196.378   16.853   52.996   8.4895   66.291   12.624   42.019   11.471  214.648   23.066  167.116   27.453 47.53185 35.85669 
1 1 1    2   18   36 o   97.438   31.595   15.235   9.1136   21.821   11.109   1.6790   15.938  113.791   34.608   80.279   36.206 33.51269 50.08616 
1 1 1    2   18   37 o   89.937   31.944   12.849   9.3438   6.9397   11.036   27.810   17.560   78.582   32.724  118.143   43.541 -39.56037 54.46708 
1 1 1    2   18   38 o   77.852   27.914   9.1065   7.1508   8.9886   10.745   9.2002   9.5808   80.967   32.846   80.184   31.514 0.7826385 45.51949 
1 1 1    2   18   39 o   55.572   24.882  -0.4129   7.3768  -6.0698   11.735   3.2825   9.4850   60.471   28.560   67.358   29.253 -6.886372 40.88247 
1 1 1    2   18   40 o   63.057   26.812   3.5798   7.6552   10.443   10.455  -4.3510   11.239   80.708   32.520   60.091   28.247 20.61750 43.07473 
1 1 1    2   18   41 o   88.189   32.437   14.486   9.7389   30.365   11.509 -25.5500   18.275  125.864   34.345   59.041   29.458 66.82308 45.24749 
1 1 1    2   18   42 o  100.161   34.332   20.592   10.734   2.0360   21.178   27.006   12.452   76.115   36.608  111.437   36.972 -35.32142 52.02930 
1 1 1    2   18   43 o  136.872   26.831   32.076   9.1725   23.690   14.206   38.072   12.012   97.730   38.386  139.251   33.672 -41.52124 51.06149 
1 1 1    2   18   44 o   89.836   30.685   16.254   8.5747   9.2759   12.441   22.569   11.835   73.420   32.631   97.655   35.782 -24.23475 48.42659 
1 1 1    2   18   45 o   54.099   25.185  -0.5439   8.5828 -12.2164   12.424   10.111   11.870   51.671   25.519   72.187   31.988 -20.51626 40.92015 
1 1 1    2   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   19    1 o  803.658   11.576  837.995   24.097  884.715   35.453  797.879   32.852  824.978   16.591  783.515   16.187 41.46252 23.17912 
1 1 1    2   19    2 o  485.275   16.713  306.134   21.008  306.134   21.008   0.0000   0.0000  485.275   16.713  ?   ?  0.000000 16.71268 
1 1 1    2   19    3 o  521.531   13.025  353.072   17.596  349.600   31.568  354.637   21.194  517.637   23.544  522.423   15.662 -4.785706 28.27722 
1 1 1    2   19    4 o  419.917   14.101  228.977   15.338  253.300   28.157  218.715   18.290  439.759   24.820  410.134   17.216 29.62585 30.20654 
1 1 1    2   19    5 o  390.075   14.653  197.630   14.806  194.700   25.615  199.100   18.144  385.179   25.823  391.250   17.903 -6.070007 31.42204 
1 1 1    2   19    6 o  529.114   11.983  363.286   16.424  360.058   24.552  365.900   22.095  526.125   18.015  530.609   16.076 -4.484070 24.14492 
1 1 1    2   19    7 o  451.825   12.931  264.996   15.134  257.433   21.150  272.930   21.664  444.824   18.356  458.028   18.260 -13.20361 25.89128 
1 1 1    2   19    8 o  813.861   12.262  859.641   25.849  834.342   36.263  885.774   36.856  800.943   17.479  825.308   17.240 -24.36450 24.55071 
1 1 1    2   19    9 o  399.754   13.677  207.519   14.162  199.475   20.364  215.053   19.708  390.809   20.185  406.478   18.718 -15.66882 27.52806 
1 1 1    2   19   10 o  512.523   11.988  340.934   15.915  356.500   23.246  327.202   21.834  523.513   17.142  501.582   16.805 21.93066 24.00556 
1 1 1    2   19   11 o  598.772   11.412  465.287   17.700  459.991   24.661  470.915   25.421  594.774   16.007  601.749   16.309 -6.975647 22.85160 
1 1 1    2   19   12 o  217.741   18.085   62.153   10.108   65.521   14.079   58.569   14.521  222.454   24.857  209.658   27.394 12.79616 36.99052 
1 1 1    2   19   13 o  459.702   11.554  274.336   13.758  270.869   20.383  277.237   18.648  456.139   17.251  461.688   15.593 -5.548553 23.25374 
1 1 1    2   19   14 o  206.404   20.362   56.129   10.744   53.568   15.040   58.798   15.355  199.605   30.018  209.529   29.075 -9.923965 41.79025 
1 1 1    2   19   15 o  234.647   18.616   72.245   11.222   86.265   15.810   58.008   15.932  255.493   24.177  207.622   30.536 47.87129 38.94813 
1 1 1    2   19   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   19   17 o  1049.80   13.037  1433.08   35.452  1448.00   72.886  1428.46   40.576  1048.51   26.836  1047.45   14.955 1.060669 30.72200 
1 1 1    2   19   18 o  774.245   17.143  782.278   34.381  760.000   50.377  801.700   47.038  759.630   25.602  781.336   23.241 -21.70648 34.57785 
1 1 1    2   19   19 o  187.527   22.020   46.781   10.493   44.750   24.553   47.234   11.606  176.942   50.863  187.885   24.425 -10.94337 56.42361 
1 1 1    2   19   20 o  271.081   15.191   96.171   10.624   64.350   27.400  101.800   11.525  210.518   50.825  278.766   16.028 -68.24768 53.29201 
1 1 1    2   19   21 f  279.753   20.750  103.488   14.929   0.0000   0.0000  103.488   14.929  ?   ?   279.753   20.750 0.000000 20.74981 
1 1 1    2   19   22 o  125.987   31.670   22.229   10.324   1.1470   25.107   26.519   11.325  110.137   47.712  137.498   32.340 -27.36159 57.63940 
1 1 1    2   19   23 o  321.016   14.270  134.811   11.866  101.400   28.108  142.056   13.090  265.927   42.216  329.273   15.347 -63.34583 44.91908 
1 1 1    2   19   24 o  160.879   19.980   34.784   8.1469   3.2600   21.222   40.232   8.8229  103.079   44.255  173.166   20.040 -70.08714 48.58081 
1 1 1    2   19   25 o  212.746   18.459   60.387   10.072   35.890   24.312   65.462   11.066  153.128   51.672  221.195   19.513 -68.06693 55.23377 
1 1 1    2   19   26 o  136.622   24.841   26.005   8.4673   38.570   22.062   23.834   9.1695  156.368   48.985  129.519   28.136 26.84964 56.49026 
1 1 1    2   19   27 o  103.770   27.171   15.374   7.3896   33.450   20.313   12.617   7.9331  145.611   47.166   94.750   29.324 50.86064 55.53814 
1 1 1    2   19   28 o   92.578   32.445   11.466   9.6122   22.340   21.665   8.8015   10.726  125.194   47.880   87.916   33.673 37.27866 58.53516 
1 1 1    2   19   29 o   90.833   32.927   10.796   9.9826 -42.5600   24.065   21.886   10.971   71.751   35.451  120.705   33.765 -48.95353 48.95776 
1 1 1    2   19   30 o   47.812   23.418 -17.1524   9.7804  -4.6910   22.261 -20.1333   10.888   91.045   41.729   49.487   24.334 41.55844 48.30526 
1 1 1    2   19   31 o  140.141   25.927   28.426   9.0652   44.050   20.901   24.806   10.061  157.775   47.357  128.150   30.710 29.62518 56.44240 
1 1 1    2   19   32 o  181.674   19.935   45.832   9.2273   29.190   20.211   50.215   10.371  127.837   46.772  189.208   21.546 -61.37025 51.49628 
1 1 1    2   19   33 o  220.413   18.289   67.000   10.348   52.140   15.039   80.360   14.260  182.421   33.044  236.952   23.545 -54.53049 40.57384 
1 1 1    2   19   34 o   91.234   26.925   12.680   6.7999   2.3896   10.304   20.619   9.0504   70.567   30.568  114.276   30.141 -43.70943 42.92893 
1 1 1    2   19   35 o  141.135   21.766   28.856   7.7014   34.631   12.002   24.813   10.041  145.928   32.576  123.865   31.287 22.06287 45.16733 
1 1 1    2   19   36 o   65.859   26.808   4.3805   7.1868   14.445   10.368  -4.9270   9.9707   93.878   33.617   58.273   27.134 35.60475 43.20150 
1 1 1    2   19   37 o   70.717   30.042   4.5448   9.5949   12.908   11.385 -15.9500   17.824   89.304   34.564   66.714   32.442 22.59072 47.40443 
1 1 1    2   19   38 o   67.089   27.653   4.9510   7.7677   16.857   11.372  -5.4610   10.635   96.361   35.111   58.284   27.423 38.07687 44.55147 
1 1 1    2   19   39 f   62.166   26.866   2.8227   7.9219  -8.0827   11.140   13.979   11.267   56.164   26.890   88.110   34.306 -31.94527 43.58856 
1 1 1    2   19   40 o  127.208   26.838   26.867   8.5652   24.348   11.737   29.738   12.528  109.248   35.877  120.440   36.779 -11.19201 51.38000 
1 1 1    2   19   41 o   60.460   27.898  -0.3522   10.184 -25.4800   20.738   7.6343   11.691   61.596   30.830   73.625   32.216 -12.02851 44.59084 
1 1 1    2   19   42 o  107.337   30.426   21.822   8.8470   17.493   13.520   25.065   11.700   87.597   36.327  106.448   35.846 -18.85107 51.03511 
1 1 1    2   19   43 o   44.143   21.919 -15.2262   9.6356 -10.6604   12.744 -21.3200   14.723   54.430   26.675   52.108   26.065 2.322311 37.29557 
1 1 1    2   19   44 o   77.942   29.139   12.187   7.9194   11.459   11.600   12.822   10.838   74.349   32.320   76.845   32.247 -2.495949 45.65551 
1 1 1    2   19   45 o   64.022   29.390   5.7639   11.103 -20.5400   21.277   15.607   13.016   58.033   29.326   76.868   33.804 -18.83508 44.75191 
1 1 1    2   20    0 o  278.910   17.041  101.539   12.252   98.220   17.146  105.002   17.514  273.156   24.493  282.558   24.161 -9.401794 34.40482 
1 1 1    2   20    1 o  512.263   18.612  341.535   24.696  341.535   24.696   0.0000   0.0000  512.263   18.612  ?   ?  0.000000 18.61165 
1 1 1    2   20    2 o  612.377   13.890  487.023   22.033  523.600   39.918  470.997   26.423  633.162   24.339  601.814   16.950 31.34863 29.65973 
1 1 1    2   20    3 f  340.584   17.715  151.313   15.575   64.150   26.660  196.471   19.190  214.839   48.994  388.471   19.070 -173.6325 52.57441 
1 1 1    2   20    4 o  1124.72   13.706  1642.81   39.930  1657.19   57.483  1629.40   55.508  1128.01   19.673  1118.67   19.156 9.335571 27.45887 
1 1 1    2   20    5 o  679.478   16.017  600.219   28.191   0.0000   0.0000  600.219   28.191  ?   ?   679.478   16.017 0.000000 16.01712 
1 1 1    2   20    6 o  476.707   17.593  295.698   21.725  295.698   21.725   0.0000   0.0000  476.707   17.593  ?   ?  0.000000 17.59349 
1 1 1    2   20    7 o  332.355   13.764  143.484   11.849  153.974   17.703  134.970   15.948  343.158   20.003  321.327   19.250 21.83072 27.76121 
1 1 1    2   20    8 o  569.413   16.410  421.748   24.204   0.0000   0.0000  421.748   24.204  ?   ?   569.413   16.410 0.000000 16.41002 
1 1 1    2   20    9 o  500.857   11.681  325.641   15.155  321.831   21.873  329.159   21.016  497.288   16.981  503.035   16.129 -5.747528 23.41969 
1 1 1    2   20   10 o  589.196   11.604  450.675   17.710  443.155   25.115  458.113   24.977  583.538   16.616  593.367   16.251 -9.828613 23.24133 
1 1 1    2   20   11 o  153.678   27.549   31.919   10.564   19.691   15.638   42.181   14.326  124.303   41.442  176.091   32.609 -51.78853 52.73343 
1 1 1    2   20   12 o  130.393   29.911   23.275   9.8878   24.050   15.771   22.774   12.692  133.889   41.331  129.146   36.384 4.743683 55.06427 
1 1 1    2   20   13 o  310.590   15.155  125.533   12.192  130.633   18.170  121.356   16.444  315.183   22.402  304.010   21.011 11.17273 30.71312 
1 1 1    2   20   14 o   76.390   31.164   3.0524   9.7391  -6.1101   13.544   12.863   14.015   74.533   33.518  107.135   38.986 -32.60187 51.41374 
1 1 1    2   20   15 o  442.586   12.420  254.633   14.238  240.263   20.667  267.615   19.644  428.937   18.601  453.048   16.739 -24.11115 25.02350 
1 1 1    2   20   16 o  256.611   21.897   86.948   14.416   72.160   28.910   91.842   16.631  224.630   50.868  263.118   24.690 -38.48790 56.54341 
1 1 1    2   20   17 o  653.010   16.391  556.483   27.726  561.600   41.619  552.400   37.176  652.921   24.608  648.599   22.128 4.322205 33.09386 
1 1 1    2   20   18 o  572.588   11.780  426.468   17.472  400.400   38.485  433.237   19.609  549.767   27.025  576.813   13.124 -27.04541 30.04315 
1 1 1    2   20   19 o  132.625   31.422   24.466   10.629   0.0000   0.0000   24.466   10.629  ?   ?   132.625   31.422 0.000000 31.42204 
1 1 1    2   20   20 o  279.205   18.267  102.718   13.138   0.0000   0.0000  102.718   13.138  ?   ?   279.205   18.267 0.000000 18.26665 
1 1 1    2   20   21 o  278.617   15.282  101.905   10.987  131.300   29.757   97.265   11.822  306.415   38.330  271.780   16.877 34.63489 41.88139 
1 1 1    2   20   22 o  300.832   13.892  118.414   10.825  108.500   25.552  120.583   11.951  277.986   36.356  302.881   15.282 -24.89462 39.43736 
1 1 1    2   20   23 o   70.730   29.506   2.1054   8.9952  -2.1490   24.428   2.7728   9.6751  103.072   45.771   74.187   30.745 28.88552 55.13841 
1 1 1    2   20   24 o  120.124   28.709   20.517   8.8115 -16.3700   28.016   24.566   9.2825   97.120   45.309  131.842   28.043 -34.72177 53.28563 
1 1 1    2   20   25 o  210.092   18.743   59.226   10.093   62.580   29.012   58.765   10.766  192.964   55.237  208.701   20.165 -15.73718 58.80231 
1 1 1    2   20   26 f  129.003   28.646   23.935   9.3228   3.4470   26.687   26.783   9.9496  108.768   48.092  136.462   29.040 -27.69446 56.17981 
1 1 1    2   20   27 o   85.760   29.131   9.9215   7.7275   24.260   24.114   8.2805   8.1578  128.955   50.193   81.722   29.744 47.23253 58.34383 
1 1 1    2   20   28 o  193.442   21.617   51.508   10.647   48.280   23.592   52.334   11.930  166.941   50.359  193.522   24.338 -26.58096 55.93204 
1 1 1    2   20   29 o  131.949   33.549   26.602   11.492   34.800   17.727   20.659   15.094  144.599   43.661  115.721   40.651 28.87813 59.65543 
1 1 1    2   20   30 o   65.387   30.573  -8.4181   12.870 -23.4100   20.465   1.3900   16.553   72.451   35.124   85.135   37.748 -12.68327 51.56125 
1 1 1    2   20   31 o  118.780   26.483   20.950   7.9403   17.300   21.902   21.502   8.5200  109.969   45.973  119.539   28.006 -9.569984 53.83156 
1 1 1    2   20   32 o  133.474   32.712   28.389   11.222   0.0000   0.0000   28.389   11.222  ?   ?   133.474   32.712 0.000000 32.71209 
1 1 1    2   20   33 o  110.789   28.032   19.027   8.0511  -1.1230   18.331   23.843   8.9617   81.885   37.654  124.043   28.491 -42.15739 47.21859 
1 1 1    2   20   34 o   78.952   29.966   8.6464   8.4461   2.3490   19.829   10.042   9.3353   86.059   39.421   83.322   31.533 2.736649 50.48137 
1 1 1    2   20   35 o   64.606   25.564   4.7102   6.3440   11.540   8.5036  -3.8631   9.5270   85.935   30.479   58.139   26.881 27.79601 40.63981 
1 1 1    2   20   36 o   59.646   25.908   1.4577   7.4422   16.078   11.534  -8.9723   9.7415   95.968   35.300   52.594   25.172 43.37331 43.35531 
1 1 1    2   20   37 o  126.538   29.909   26.797   9.6484   28.221   11.294   22.950   18.561  125.485   33.932  103.408   42.698 22.07666 54.53898 
1 1 1    2   20   38 o   64.013   28.555   1.7258   9.6194  -1.0844   11.581   7.9790   17.275   64.388   29.724   82.036   37.277 -17.64803 47.67663 
1 1 1    2   20   39 o   48.661   23.084  -5.4301   7.8301   6.8448   10.887 -18.5855   11.270   72.885   31.496   47.852   23.752 25.03323 39.44781 
1 1 1    2   20   40 o   48.703   24.302 -21.2173   12.453 -29.6900   20.550 -16.3000   15.656   59.576   29.940   57.953   28.626 1.622547 41.42287 
1 1 1    2   20   41 o   62.430   27.284   3.9731   8.3634  -3.2290   12.697   9.4929   11.116   60.976   29.060   74.544   32.016 -13.56763 43.23802 
1 1 1    2   20   42 o  130.755   29.526   31.803   9.7638   23.980   14.503   38.287   13.204   94.364   38.203  129.667   37.308 -35.30344 53.39768 
1 1 1    2   20   43 o   45.396   22.127  -8.3247   8.4269  -3.3265   12.632 -12.3331   11.312   58.487   28.165   49.410   24.393 9.076931 37.25969 
1 1 1    2   20   44 o   53.739   24.598   1.2491   7.7006  -4.2977   11.107   6.3837   10.686   53.853   26.051   64.638   29.351 -10.78507 39.24423 
1 1 1    2   21    0 o  125.099   30.257   21.386   9.6975   22.316   14.859   20.697   12.799  129.577   40.137  124.156   37.012 5.421715 54.59684 
1 1 1    2   21    1 o  423.800   14.093  233.383   15.471  253.200   28.725  225.285   18.362  439.107   25.362  416.068   17.038 23.03973 30.55378 
1 1 1    2   21    2 o  308.388   16.469  124.079   13.108   85.400   21.966  145.468   16.335  252.085   34.550  333.605   18.982 -81.52036 39.42074 
1 1 1    2   21    3 o  383.062   19.666  191.780   19.448  191.780   19.448   0.0000   0.0000  383.062   19.666  ?   ?  0.000000 19.66612 
1 1 1    2   21    4 o  565.572   11.426  415.211   16.739  415.541   24.359  414.915   23.040  565.088   16.641  564.802   15.749 0.2860718 22.91194 
1 1 1    2   21    5 o  300.749   14.605  117.585   11.378  112.394   17.207  121.617   15.167  292.371   22.904  304.839   19.308 -12.46771 29.95655 
1 1 1    2   21    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   21    7 o  762.972   11.815  755.896   23.350  777.028   33.758  736.511   32.333  772.525   16.870  752.179   16.595 20.34692 23.66383 
1 1 1    2   21    8 o  399.323   18.017  207.815   18.636   0.0000   0.0000  207.815   18.636  ?   ?   399.323   18.017 0.000000 18.01661 
1 1 1    2   21    9 o  342.078   14.313  152.180   12.682  151.913   18.156  152.433   17.723  340.409   20.689  341.097   20.148 -0.6881104 28.87844 
1 1 1    2   21   10 o  361.830   13.871  170.248   13.000  179.299   19.552  163.077   17.404  369.891   20.487  352.985   19.106 16.90628 28.01338 
1 1 1    2   21   11 o  487.691   12.302  309.076   15.540  299.086   22.752  317.811   21.276  478.765   18.347  493.851   16.632 -15.08603 24.76344 
1 1 1    2   21   12 o  225.652   19.322   67.000   11.185   79.631   16.763   56.865   15.016  244.487   26.916  205.618   28.998 38.86803 39.56440 
1 1 1    2   21   13 o  163.519   26.159   36.055   10.707   10.236   16.800   53.712   13.893  107.320   41.861  199.987   27.551 -92.66711 50.11368 
1 1 1    2   21   14 o  317.807   17.568  132.290   14.406   79.590   27.990  151.281   16.803  237.295   47.199  339.565   19.182 -102.2707 50.94769 
1 1 1    2   21   15 o  154.805   38.189   33.574   15.218  -1.7580   24.565   55.580   19.387  107.607   46.902  199.768   38.864 -92.16053 60.91153 
1 1 1    2   21   16 o  123.493   30.086   21.101   9.5352   27.615   15.672   17.273   12.015  140.611   40.699  113.763   36.214 26.84842 54.47817 
1 1 1    2   21   17 o  463.507   13.321  279.970   15.994  261.912   24.317  293.737   21.232  446.265   21.036  473.766   17.301 -27.50159 27.23697 
1 1 1    2   21   18 o  305.829   18.708  123.229   14.749   0.0000   0.0000  123.229   14.749  ?   ?   305.829   18.708 0.000000 18.70822 
1 1 1    2   21   19 o  122.716   32.919   21.139   10.680  -7.2520   27.984   25.980   11.555  107.426   48.256  135.803   33.141 -28.37636 58.53987 
1 1 1    2   21   20 o  286.737   15.514  108.078   11.480  120.600   30.137  105.952   12.416  290.885   41.145  283.480   16.987 7.404877 44.51334 
1 1 1    2   21   21 o  286.961   14.980  108.330   11.097   95.800   26.234  111.060   12.246  257.593   40.667  290.135   16.361 -32.54135 43.83489 
1 1 1    2   21   22 o  296.398   14.327  115.351   11.000  109.200   30.112  116.299   11.816  270.737   44.483  296.915   15.417 -26.17825 47.07910 
1 1 1    2   21   23 o  192.815   20.225   50.153   9.9509   35.420   29.299   52.074   10.580  151.395   56.155  196.146   21.158 -44.75156 60.00902 
1 1 1    2   21   24 o  145.777   26.573   29.956   9.6644   43.520   28.359   28.174   10.280  160.946   55.767  140.157   29.260 20.78905 62.97705 
1 1 1    2   21   25 o  164.244   21.563   37.030   8.9521   16.990   27.536   39.399   9.4664  123.081   51.509  169.248   22.122 -46.16624 56.05900 
1 1 1    2   21   26 o  110.626   31.057   18.029   9.2644   36.890   25.189   15.079   9.9627  147.293   52.435  102.104   33.027 45.18903 61.96936 
1 1 1    2   21   27 o   55.718   26.001  -7.0806   9.2355 -11.1100   24.405  -6.4071   9.9775   90.002   42.088   59.209   27.423 30.79313 50.23348 
1 1 1    2   21   28 o   70.384   31.142  -0.7191   11.210 -20.3200   23.535   5.0326   12.749   81.116   38.902   83.093   34.927 -1.977715 52.28065 
1 1 1    2   21   29 o   90.640   31.356   11.821   8.9642   10.290   22.380   12.113   9.7832  103.578   44.958   92.058   32.688 11.51984 55.58564 
1 1 1    2   21   30 o   91.695   29.904   12.594   8.1593   26.610   19.268   9.5320   9.0067  122.406   45.513   83.843   31.128 38.56250 55.13932 
1 1 1    2   21   31 o   69.579   29.162   3.6607   8.8464   0.0000   0.0000   3.6607   8.8464  ?   ?    69.579   29.162 0.000000 29.16245 
1 1 1    2   21   32 o   95.340   32.831   14.498   9.8214   7.8610   21.670   16.214   11.018   94.360   42.418   99.553   34.745 -5.193489 54.83205 
1 1 1    2   21   33 o   64.220   26.711   3.4351   7.3407  -0.9131   21.118   4.0327   7.8289   84.362   39.351   66.756   27.661 17.60600 48.09980 
1 1 1    2   21   34 o   90.187   29.317   13.065   7.8446   26.000   18.238   10.129   8.6895  112.773   43.719   81.999   30.549 30.77379 53.33435 
1 1 1    2   21   35 o   58.674   25.464   1.4293   7.1771  -8.7000   20.255   2.8837   7.6751   74.924   35.974   62.947   26.808 11.97700 44.86427 
1 1 1    2   21   36 o   72.230   29.259   6.8369   8.5122   18.330   15.674   2.0288   10.138   96.903   39.534   66.402   29.486 30.50104 49.31926 
1 1 1    2   21   37 o   59.847   27.151  -0.2059   9.1176   16.290   19.776  -4.6588   10.275   91.449   40.858   57.197   26.925 34.25241 48.93172 
1 1 1    2   21   38 o   55.824   25.215  -0.0128   7.7640  -3.4044   9.3791   7.3710   13.839   55.480   25.991   76.207   34.104 -20.72714 42.87896 
1 1 1    2   21   39 o   73.616   30.986   8.6557   10.057   7.8474   13.326   9.7250   15.327   74.638   33.430   78.042   35.323 -3.404030 48.63388 
1 1 1    2   21   40 o   41.689   20.358  -9.1636   7.2273  -3.7181   9.7096 -15.9290   10.823   54.404   25.779   47.118   23.368 7.285797 34.79425 
1 1 1    2   21   41 o   52.983   25.224  -3.9695   9.5141  -7.5840   15.671  -1.8595   11.973   60.795   29.749   59.790   28.417 1.004929 41.14002 
1 1 1    2   21   42 o   60.480   27.820   2.5336   10.017  -2.4082   12.886   10.080   15.923   59.442   28.580   72.766   34.018 -13.32419 44.43018 
1 1 1    2   21   43 o   46.085   22.118  -4.5823   7.6407  -1.3349   10.642  -8.0373   10.977   55.715   26.567   50.621   24.797 5.094585 36.34171 
1 1 1    2   22    0 o  442.400   13.849  254.454   15.870  311.100   30.840  234.052   18.508  486.591   24.547  423.905   16.856 62.68622 29.77730 
1 1 1    2   22    1 o  510.953   13.554  339.372   17.939  327.600   31.454  345.047   21.838  499.993   24.286  514.773   16.378 -14.78088 29.29245 
1 1 1    2   22    2 o  257.776   17.362   86.968   11.525   63.822   17.234  105.693   15.502  217.714   31.474  283.605   21.256 -65.89070 37.97943 
1 1 1    2   22    3 o  420.573   12.777  229.852   13.919  212.252   20.700  244.377   18.805  403.210   19.820  433.140   16.761 -29.92960 25.95670 
1 1 1    2   22    4 o  217.594   20.509   62.391   11.423   50.075   17.090   72.336   15.357  191.210   35.822  233.348   25.842 -42.13812 44.17016 
1 1 1    2   22    5 o  346.509   14.594  156.210   13.099  145.141   19.474  165.356   17.701  332.181   22.770  355.397   19.300 -23.21609 29.84931 
1 1 1    2   22    6 o  249.247   18.051   81.446   11.575   79.457   17.545   82.980   15.403  244.024   28.281  250.439   24.040 -6.415009 37.11802 
1 1 1    2   22    7 o  255.807   17.839   85.763   11.747   69.173   16.947  101.105   16.297  227.105   29.504  276.851   22.931 -49.74632 37.36788 
1 1 1    2   22    8 o  230.849   19.150   70.078   11.348   46.689   15.676   95.826   16.448  184.675   34.023  269.213   23.833 -84.53807 41.53983 
1 1 1    2   22    9 o  251.475   18.118   82.978   11.723   99.102   16.884   67.968   16.290  273.680   24.061  225.162   28.574 48.51857 37.35489 
1 1 1    2   22   10 o  288.482   15.756  108.787   11.729   93.711   17.579  120.886   15.748  265.526   25.887  303.289   20.160 -37.76263 32.81123 
1 1 1    2   22   11 o  268.406   19.762   94.785   13.643   59.590   26.693  107.229   15.873  203.701   50.770  285.143   21.652 -81.44215 55.19420 
1 1 1    2   22   12 o  152.119   40.042   32.472   15.994   70.010   26.538   11.060   20.043  221.670   47.636  114.538   45.401 107.1322 65.80643 
1 1 1    2   22   13 o  115.046   38.425   17.163   13.443   26.783   17.480   3.2390   21.031  139.584   43.583  105.546   44.638 34.03802 62.38568 
1 1 1    2   22   14 o   79.465   32.662   3.1716   10.798   3.9229   15.821   2.5166   14.774   94.295   39.217   89.498   37.608 4.797157 54.33546 
1 1 1    2   22   15 o   84.529   33.486   5.6636   10.897  -4.1060   17.296   12.094   14.032   87.199   38.628  104.515   38.844 -17.31595 54.78117 
1 1 1    2   22   16 o  268.095   19.412   94.952   13.389  121.200   24.022   83.123   16.127  298.607   31.534  248.988   25.359 49.61858 40.46523 
1 1 1    2   22   17 o  331.967   20.600  145.929   17.627  167.500   29.459  133.900   21.999  350.043   32.875  315.371   27.195 34.67206 42.66599 
1 1 1    2   22   18 o  103.350   35.944   13.639   11.787   41.351   18.219  -6.3110   15.458  168.354   41.934   78.787   35.584 89.56682 54.99693 
1 1 1    2   22   19 o  237.960   17.865   75.064   10.931   69.950   28.690   75.933   11.823  212.662   52.417  238.897   19.270 -26.23482 55.84748 
1 1 1    2   22   20 o  151.465   22.018   31.222   8.3856   4.7530   25.072   34.556   8.8981  110.919   47.865  159.444   22.142 -48.52525 52.73807 
1 1 1    2   22   21 o  263.908   15.992   92.234   10.881   88.840   30.487   92.729   11.648  236.893   51.178  264.200   17.112 -27.30717 53.96336 
1 1 1    2   22   22 o  141.943   25.912   28.280   9.1760 -16.2600   27.277   33.963   9.7439   94.560   44.307  156.290   24.904 -61.73018 50.82679 
1 1 1    2   22   23 o  147.756   26.272   30.826   9.6867 -20.7100   25.972   39.153   10.440   88.242   41.914  167.622   24.793 -79.38028 48.69738 
1 1 1    2   22   24 o  188.762   20.666   48.664   9.9394   79.240   25.091   42.973   10.825  222.979   44.994  175.454   24.486 47.52536 51.22460 
1 1 1    2   22   25 o  224.176   16.840   67.505   9.7071   45.060   22.575   72.596   10.752  161.855   49.360  231.917   18.040 -70.06154 52.55350 
1 1 1    2   22   26 o  200.967   20.705   55.572   10.624   51.880   19.803   57.065   12.589  177.566   43.417  201.286   24.662 -23.71973 49.93196 
1 1 1    2   22   27 o   65.271   29.995  -5.2704   11.607  -3.4710   21.072  -6.0541   13.907   88.641   40.617   70.799   32.645 17.84191 52.10935 
1 1 1    2   22   28 o  169.345   20.637   40.042   8.8653   71.240   23.541   34.886   9.5698  201.471   46.106  155.661   24.548 45.80965 52.23346 
1 1 1    2   22   29 o  149.548   21.242   31.703   7.9974   40.770   23.431   30.508   8.5083  142.047   50.571  145.380   23.387 -3.332382 55.71708 
1 1 1    2   22   30 o  110.366   31.580   19.531   9.4852   0.0000   0.0000   19.531   9.4852  ?   ?   110.366   31.580 0.000000 31.58034 
1 1 1    2   22   31 o   76.059   30.784   6.7202   9.4146   29.200   21.250   1.2300   10.502  119.355   46.926   68.515   30.238 50.84023 55.82459 
1 1 1    2   22   32 o   64.674   27.530   2.8370   8.0867   5.4140   16.739   2.0525   9.2360   84.153   37.595   66.131   28.793 18.02190 47.35427 
1 1 1    2   22   33 o   78.020   29.926   8.7577   8.4790   3.6830   20.718   9.7787   9.2929   85.720   39.636   81.223   31.286 4.497063 50.49577 
1 1 1    2   22   34 f   80.331   29.559   10.065   8.0883   8.0290   20.063   10.460   8.8384   87.405   39.892   81.703   30.736 5.701202 50.35958 
1 1 1    2   22   35 o  125.624   25.139   24.856   7.8946  -2.6010   14.635   36.125   9.3758   69.195   32.432  152.612   24.550 -83.41634 40.67631 
1 1 1    2   22   36 o   90.845   29.974   14.563   8.1889   60.880   20.723   5.9926   8.9144  157.950   47.097   69.700   29.247 88.24990 55.43940 
1 1 1    2   22   37 o   69.167   28.353   6.7930   8.1102   20.170   17.971   3.3720   9.0883   92.264   40.168   64.102   28.217 28.16200 49.08833 
1 1 1    2   22   38 f   69.956   29.572   7.2236   9.2236   9.3890   21.128   6.7137   10.252   79.474   37.765   70.018   30.410 9.455322 48.48690 
1 1 1    2   22   39 o   76.535   33.220   11.159   12.218   18.940   19.325   5.9770   15.770   84.644   38.826   72.088   33.750 12.55636 51.44402 
1 1 1    2   22   40 o   57.189   27.203  -2.5578   11.018 -15.6400   22.424   1.6054   12.650   63.740   31.925   63.708   29.954 0.3138351E-01 43.77735 
1 1 1    2   22   41 o   65.455   29.136   6.3744   9.9575   12.310   12.359  -4.6080   16.811   74.705   32.894   62.139   30.491 12.56580 44.85218 
1 1 1    2   22   42 o   47.889   23.197  -5.7908   8.8800   0.1195   13.156 -10.7373   12.035   60.006   28.858   50.595   25.012 9.410835 38.18874 
1 1 1    2   22   43 o   64.416   27.768   8.2291   8.4196   18.896   13.182   0.8784   10.943   77.518   34.056   56.481   26.934 21.03735 43.41985 
1 1 1    2   23    0 o  425.389   15.281  235.703   16.838  268.500   32.515  223.685   19.683  450.195   28.022  413.882   18.359 36.31311 33.50025 
1 1 1    2   23    1 o  348.054   14.657  157.722   13.214  154.300   20.200  160.282   17.470  342.227   22.920  349.665   19.364 -7.437561 30.00443 
1 1 1    2   23    2 o  426.458   13.010  236.530   14.372  256.741   22.483  222.564   18.689  443.139   19.587  412.987   17.470 30.15210 26.24588 
1 1 1    2   23    3 o  439.159   13.036  250.844   14.829  256.583   22.545  246.468   19.688  442.964   19.649  434.577   17.489 8.387207 26.30493 
1 1 1    2   23    4 o  100.862   34.436   12.618   10.799   10.765   16.665   13.960   14.179  107.924   41.804  109.443   39.300 -1.519279 57.37661 
1 1 1    2   23    5 o  391.000   13.893  199.000   14.071  215.955   21.174  185.590   18.830  406.203   20.123  376.223   19.388 29.98074 27.94333 
1 1 1    2   23    6 o  422.032   19.632  233.062   21.461  233.062   21.461   0.0000   0.0000  422.032   19.632  ?   ?  0.000000 19.63179 
1 1 1    2   23    7 o  324.522   15.106  137.261   12.699   85.929   18.703  181.164   17.297  253.094   29.055  372.347   17.933 -119.2532 34.14375 
1 1 1    2   23    8 o  137.472   34.746   26.283   12.379   31.290   21.886   23.928   15.010  151.236   48.955  132.169   40.236 19.06703 63.36806 
1 1 1    2   23    9 o  325.010   22.439  139.513   18.775  145.100   27.919  134.900   25.368  327.744   33.351  316.673   31.338 11.07028 45.76392 
1 1 1    2   23   10 o  131.712   42.772   23.362   16.699   15.430   25.646   29.200   22.002  129.699   51.374  146.999   49.158 -17.30052 71.10374 
1 1 1    2   23   11 o  438.688   15.926  251.370   18.097  258.440   23.126  240.200   29.068  443.699   20.121  424.887   26.545 18.81268 33.30889 
1 1 1    2   23   12 o  246.883   19.422   80.481   12.320   99.288   18.712   66.089   16.369  272.151   26.895  220.761   29.352 51.38954 39.81088 
1 1 1    2   23   13 f  269.199   16.905   95.252   11.728   97.651   17.350   93.233   15.915  270.258   25.070  264.535   23.470 5.723267 34.34163 
1 1 1    2   23   14 o   85.573   36.993  -0.2873   15.030   6.3040   20.748  -7.5660   21.803  107.678   44.857   94.262   42.445 13.41568 61.75586 
1 1 1    2   23   15 o  209.353   26.359   59.404   13.977   44.945   19.734   73.960   19.800  175.512   43.601  230.765   34.155 -55.25352 55.38618 
1 1 1    2   23   16 o  126.656   33.367   22.743   11.100   37.851   16.622   10.585   14.912  161.487   39.956  102.045   39.539 59.44248 56.21252 
1 1 1    2   23   17 o  189.024   23.545   48.409   11.278   43.516   16.718   52.496   15.279  173.242   38.276  193.793   31.520 -20.55104 49.58418 
1 1 1    2   23   18 o   79.382   32.119   4.6219   10.245   3.9138   17.112   5.0176   12.791   94.824   40.193   86.636   35.571 8.188019 53.67308 
1 1 1    2   23   19 o  225.718   25.273   69.815   14.523   81.750   29.185   65.886   16.744  227.387   50.827  216.455   30.725 10.93181 59.39253 
1 1 1    2   23   20 o  162.445   21.318   35.993   8.7535   14.360   28.894   38.179   9.1852  123.863   52.349  167.223   21.718 -43.36021 56.67569 
1 1 1    2   23   21 o  216.089   19.561   63.071   10.830   63.780   26.914   62.934   11.830  194.796   52.258  214.930   21.539 -20.13419 56.52246 
1 1 1    2   23   22 o  161.582   20.605   35.767   8.4279   42.250   22.042   34.657   9.1209  158.959   48.827  158.010   22.956 0.9489288 53.95453 
1 1 1    2   23   23 o   76.229   29.778   5.9832   8.5114   6.0230   23.583   5.9772   9.1265  104.401   45.717   77.666   30.684 26.73537 55.05922 
1 1 1    2   23   24 o  128.106   27.117   23.848   8.7180  -0.9449   23.907   27.651   9.3628   97.041   44.001  138.184   27.126 -41.14349 51.69053 
1 1 1    2   23   25 o  109.961   29.488   18.089   8.5718   13.250   23.808   18.809   9.1880  109.930   47.026  111.649   30.778 -1.719269 56.20243 
1 1 1    2   23   26 o   72.864   32.138   0.2633   11.846  -5.7930   23.068   2.4327   13.806   89.234   41.457   80.503   35.123 8.731400 54.33505 
1 1 1    2   23   27 o  148.219   26.899   32.494   9.9471   28.800   23.850   33.272   10.944  125.171   49.554  148.186   29.549 -23.01495 57.69543 
1 1 1    2   23   28 o   56.832   27.317 -12.7159   11.750   13.390   21.961 -23.1865   13.908  102.555   44.525   55.402   27.292 47.15260 52.22404 
1 1 1    2   23   29 o  145.029   25.623   31.487   9.2738   0.0000   0.0000   31.487   9.2738  ?   ?   145.029   25.623 0.000000 25.62325 
1 1 1    2   23   30 o   54.399   25.341  -4.9314   8.7116  -1.5960   19.132  -5.8039   9.7849   81.009   37.675   56.792   26.587 24.21696 46.11199 
1 1 1    2   23   31 o   73.144   29.324   6.6131   8.4549 -10.4400   20.704   10.026   9.2624   75.507   36.285   82.070   31.326 -6.563942 47.93618 
1 1 1    2   23   32 o   53.568   24.962  -4.3738   8.4649 -10.0700   20.821  -3.2458   9.2651   74.880   36.085   57.506   26.561 17.37422 44.80643 
1 1 1    2   23   33 o   84.189   29.801   11.620   8.1253 -31.7900   18.453   22.060   9.0499   58.587   29.288  114.094   30.163 -55.50636 42.04242 
1 1 1    2   23   34 o   65.073   27.676   4.0014   8.1603 -18.5300   17.264   10.483   9.2600   62.002   30.517   80.408   31.158 -18.40648 43.61304 
1 1 1    2   23   35 o  114.157   29.672   22.853   8.8549 -15.9900   20.465   31.800   9.8220   67.081   33.057  136.995   28.602 -69.91389 43.71362 
1 1 1    2   23   36 o   71.759   27.909   8.2701   7.4510  -1.8180   15.821   11.145   8.4464   68.208   32.488   79.194   29.989 -10.98608 44.21269 
1 1 1    2   23   37 o   63.277   28.882   2.1760   10.519   15.170   20.281  -2.6062   12.304   82.837   38.614   60.965   28.926 21.87167 48.24639 
1 1 1    2   23   38 o   45.991   22.622 -11.7436   9.4352  -3.9530   18.325 -14.5538   11.006   66.271   32.374   48.027   23.774 18.24390 40.16557 
1 1 1    2   23   39 o   88.883   34.294   18.992   11.180   17.360   21.585   19.591   13.071   79.263   37.806   86.792   35.833 -7.529594 52.08992 
1 1 1    2   23   40 o   56.306   28.135 -15.4000   16.950   0.0000   0.0000 -15.4000   16.950  ?   ?    56.306   28.135 0.000000 28.13532 
1 1 1    2   23   41 o   46.946   23.310 -12.6731   10.891 -28.8200   21.685  -7.2271   12.594   55.344   28.140   53.514   26.285 1.830574 38.50658 
1 1 1    2   23   42 o   43.474   21.663 -12.8423   9.7498 -13.5300   16.228 -12.4538   12.196   53.349   26.782   48.438   24.151 4.910728 36.06350 
1 1 1    2   24    0 o  306.416   17.789  123.174   14.059  113.900   24.389  127.790   17.204  290.090   33.047  311.229   21.472 -21.13977 39.41037 
1 1 1    2   24    1 o  264.473   20.487   92.278   13.925  107.100   24.389   85.109   16.961  280.736   34.249  252.410   26.330 28.32629 43.20014 
1 1 1    2   24    2 o  123.849   36.698   21.062   12.611   34.120   23.243   15.614   15.013  156.788   50.417  113.729   40.482 43.05936 64.65819 
1 1 1    2   24    3 o  216.786   30.496   63.735   16.651   49.240   24.824   75.590   22.451  184.612   50.467  233.626   38.436 -49.01396 63.43719 
1 1 1    2   24    4 o  390.495   20.219  200.567   20.381  203.200   29.964  198.300   27.803  389.552   29.924  385.573   28.030 3.978973 41.00138 
1 1 1    2   24    5 o  385.160   20.258  195.209   20.140  174.500   29.159  214.100   27.850  360.027   31.587  401.031   26.967 -41.00397 41.53247 
1 1 1    2   24    6 o  297.890   20.240  117.019   15.525  114.555   20.291  120.500   24.113  292.680   27.071  298.553   31.663 -5.873199 41.65823 
1 1 1    2   24    7 o  165.889   31.516   37.970   13.047   33.669   16.754   44.600   20.800  154.043   41.190  176.145   45.324 -22.10225 61.24427 
1 1 1    2   24    8 f  295.012   16.690  114.206   12.701   82.386   17.884  146.591   18.042  247.139   28.456  333.152   21.015 -86.01292 35.37505 
1 1 1    2   24    9 o  250.120   19.126   82.607   12.298   51.750   17.558  112.319   17.230  192.290   36.588  290.709   23.070 -98.41840 43.25440 
1 1 1    2   24   10 o  135.569   32.909   25.775   11.440   40.040   20.015   18.853   13.942  166.231   45.264  118.674   39.110 47.55750 59.81927 
1 1 1    2   24   11 o  205.251   31.202   57.942   16.066   73.250   21.504   38.600   24.172  228.528   37.638  162.779   51.317 65.74886 63.64040 
1 1 1    2   24   12 o  123.810   41.407   20.778   15.610   28.630   23.700   14.760   20.747  144.688   50.930  119.224   46.515 25.46317 68.97449 
1 1 1    2   24   13 o  151.769   35.626   32.868   13.766   22.832   17.518   49.070   22.258  129.129   43.860  181.551   46.972 -52.42241 64.26527 
1 1 1    2   24   14 o  243.369   20.565   79.005   12.843   65.171   18.871   90.940   17.529  214.949   35.106  258.845   26.517 -43.89624 43.99517 
1 1 1    2   24   15 o   87.851   33.397   8.2011   10.501   15.503   14.096  -0.9063   15.742  109.704   39.206   85.473   37.392 24.23098 54.17835 
1 1 1    2   24   16 o  401.590   14.704  211.942   15.296  220.952   23.431  205.252   20.191  405.635   22.387  392.367   19.932 13.26758 29.97432 
1 1 1    2   24   17 o  215.361   20.857   62.570   11.489   56.758   17.150   67.303   15.476  198.340   34.642  220.187   27.750 -21.84695 44.38635 
1 1 1    2   24   18 o  231.449   21.683   72.689   12.848   79.108   19.049   67.333   17.402  235.525   32.057  217.152   31.888 18.37334 45.21561 
1 1 1    2   24   19 o   79.709   31.993   5.5625   10.077   4.9435   15.701   5.9960   13.140   91.226   38.575   87.518   36.008 3.708298 52.76914 
1 1 1    2   24   20 o   99.368   30.437   14.246   8.5719   1.7060   24.085   16.065   9.1724  101.668   45.281  104.895   31.346 -3.226685 55.07228 
1 1 1    2   24   21 o  220.074   19.267   65.775   10.873   52.850   28.681   67.944   11.750  169.105   56.111  222.986   20.574 -53.88124 59.76404 
1 1 1    2   24   22 o   38.953   19.336 -16.9641   7.4741  -9.5670   24.884 -17.6976   7.8359   91.581   42.717   39.900   19.805 51.68085 47.08516 
1 1 1    2   24   23 o  191.150   21.344   50.671   10.388  -6.8310   25.220   62.419   11.399   93.202   43.316  212.579   20.976 -119.3768 48.12768 
1 1 1    2   24   24 o  161.863   25.451   37.744   10.319   24.840   23.510   40.823   11.484  122.635   48.993  167.114   27.485 -44.47916 56.17580 
1 1 1    2   24   25 o  168.806   37.390   46.211   15.919   61.350   22.101   29.890   22.947  185.304   46.204  127.591   49.158 57.71239 67.46308 
1 1 1    2   24   26 o   83.873   30.164   9.9976   8.3560   16.250   20.373   8.7330   9.1621  105.626   44.262   81.617   31.155 24.00921 54.12749 
1 1 1    2   24   27 o   78.603   29.772   8.2929   8.3262   21.230   21.132   5.9155   9.0590  110.223   45.539   74.297   30.153 35.92523 54.61725 
1 1 1    2   24   28 o   89.143   30.843   12.437   8.6729   0.0000   0.0000   12.437   8.6729  ?   ?    89.143   30.843 0.000000 30.84260 
1 1 1    2   24   29 o   50.257   23.839  -7.1135   8.3466   24.710   21.614 -12.6909   9.0484  109.783   45.763   47.170   22.978 62.61258 51.20798 
1 1 1    2   24   30 o   86.970   30.581   12.264   8.5430   7.0320   21.387   13.258   9.3188   88.700   40.745   89.557   31.892 -0.8567352 51.74202 
1 1 1    2   24   31 o   57.000   25.869  -1.3067   8.2869   0.4634   19.488  -1.6974   9.1559   79.869   37.432   58.941   26.919 20.92842 46.10684 
1 1 1    2   24   32 o   85.845   28.693   12.277   7.4962   7.1400   14.702   14.082   8.7140   79.897   35.493   90.231   30.933 -10.33375 47.08034 
1 1 1    2   24   33 o   51.970   24.190  -3.3741   7.9141   5.1210   19.558  -5.0374   8.6543   80.622   37.694   52.182   24.608 28.44060 45.01583 
1 1 1    2   24   34 o  107.603   31.108   21.290   9.1610   16.330   20.869   22.474   10.196   88.565   40.522  107.952   33.216 -19.38730 52.39660 
1 1 1    2   24   35 o   60.496   26.127   3.4553   7.4826  -4.3760   15.565   5.8090   8.5333   65.235   31.377   66.781   28.349 -1.545959 42.28693 
1 1 1    2   24   36 o   45.491   22.620 -16.6683   10.402 -42.7300   19.827  -6.7714   12.218   52.959   26.925   56.700   27.403 -3.741596 38.41725 
1 1 1    2   24   37 o   48.742   23.732  -8.5568   9.6199  -5.7010   19.291  -9.5020   11.098   65.423   32.212   51.427   25.138 13.99572 40.85999 
1 1 1    2   24   38 o   60.706   27.182   3.9558   8.8050  -0.2035   20.016   4.9538   9.8045   67.257   33.056   63.367   28.505 3.889275 43.64890 
1 1 1    2   24   39 o   46.285   22.809 -10.5654   9.7421   0.0000   0.0000 -10.5654   9.7421  ?   ?    46.285   22.809 0.000000 22.80888 
1 1 1    2   24   40 o   54.874   26.549  -2.7332   11.547  -5.5780   20.323  -1.3771   14.032   61.414   30.706   58.808   28.640 2.606251 41.98908 
1 1 1    2   24   41 o   46.384   22.841  -8.0632   9.7101   24.380   20.286 -17.7064   11.059   73.934   35.626   43.350   21.810 30.58314 41.77191 
1 1 1    2   25    0 o   64.430   28.958  -4.3210   10.094 -19.7559   14.070   12.045   14.488   62.126   29.869  105.043   39.384 -42.91644 49.42980 
1 1 1    2   25    1 o  397.164   14.098  205.862   14.504  203.754   21.319  207.679   19.790  392.767   21.031  397.617   19.215 -4.850800 28.48659 
1 1 1    2   25    2 o  283.580   17.383  105.759   12.708  119.804   19.628   95.623   16.674  299.353   25.558  267.633   24.317 31.72055 35.27762 
1 1 1    2   25    3 o  196.423   23.562   51.741   11.749   55.617   18.630   49.182   15.139  198.974   37.523  188.749   32.114 10.22490 49.38901 
1 1 1    2   25    4 f  207.559   26.167   58.155   13.756   39.230   25.631   65.812   16.303  164.696   52.942  219.902   29.353 -55.20616 60.53503 
1 1 1    2   25    5 o  203.826   27.102   56.314   13.954   67.840   26.053   51.677   16.525  215.292   47.948  192.588   34.386 22.70482 59.00349 
1 1 1    2   25    6 o  243.263   23.212   79.065   14.449  144.800   28.536   56.403   16.755  324.690   34.456  201.700   33.227 122.9902 47.86675 
1 1 1    2   25    7 o  296.410   22.890  117.088   17.439  131.200   28.456  108.600   22.069  307.559   36.427  282.264   30.677 25.29553 47.62354 
1 1 1    2   25    8 o  220.474   29.128   66.429   16.228   59.140   23.035   73.610   22.865  200.884   45.343  227.255   40.319 -26.37148 60.67658 
1 1 1    2   25    9 o  233.259   24.006   73.162   14.297   57.800   17.006  110.200   26.406  203.497   33.422  280.308   37.293 -76.81047 50.07798 
1 1 1    2   25   10 o  188.981   29.410   49.322   13.928   66.695   18.771   28.040   20.776  218.124   34.360  140.813   47.766 77.31143 58.84028 
1 1 1    2   25   11 o  407.203   14.822  217.412   15.634  245.039   23.949  196.897   20.637  428.849   21.629  384.730   20.786 44.11969 29.99745 
1 1 1    2   25   12 o  256.926   18.948   87.809   12.521   88.335   18.368   87.352   17.114  253.622   28.449  253.135   26.494 0.4867401 38.87495 
1 1 1    2   25   13 o  319.737   15.792  134.615   13.079  125.327   18.611  143.678   18.384  304.542   23.782  327.244   21.813 -22.70148 32.27029 
1 1 1    2   25   14 o  289.536   17.271  111.321   12.894   81.946   19.567  133.869   17.143  240.924   32.157  315.747   21.081 -74.82312 38.45092 
1 1 1    2   25   15 o  277.109   18.605  102.662   13.277  118.836   19.531   88.765   18.104  294.063   25.905  252.551   28.153 41.51161 38.25801 
1 1 1    2   25   16 o  189.190   23.697   49.309   11.358   24.598   16.368   72.259   15.774  127.761   42.389  227.449   27.320 -99.68846 50.42977 
1 1 1    2   25   17 o  161.894   31.031   38.066   12.540   27.611   18.505   46.943   17.051  133.001   45.079  175.465   38.568 -42.46373 59.32626 
1 1 1    2   25   18 o  116.272   33.340   20.206   10.561   11.847   14.430   29.850   15.499   99.318   38.780  137.660   40.655 -38.34192 56.18529 
1 1 1    2   25   19 o   76.681   32.955   2.0202   11.790   9.4648   17.885  -3.7009   15.679   99.802   41.618   78.816   35.695 20.98591 54.82893 
1 1 1    2   25   20 o   73.695   31.950   1.1999   11.277   29.390   26.491  -5.0387   12.462  132.783   52.334   68.492   31.329 64.29120 60.99535 
1 1 1    2   25   21 o   55.885   25.614  -4.2970   8.3883 -21.4300   22.658  -1.5759   9.0299   78.487   37.778   62.261   27.728 16.22646 46.86162 
1 1 1    2   25   22 o  135.015   27.272   26.858   9.2094   44.090   23.190   23.632   10.035  153.170   50.438  124.286   31.212 28.88324 59.31406 
1 1 1    2   25   23 o   89.432   38.607   6.1109   16.324   2.4020   24.422   9.1060   21.946   96.914   44.147  100.449   44.041 -3.535019 62.35854 
1 1 1    2   25   24 o   49.195   23.147  -6.4092   7.5780   25.400   23.640 -10.0523   8.0002  118.995   48.550   46.684   22.465 72.31147 53.49569 
1 1 1    2   25   25 o   95.393   30.756   14.238   8.6453   17.090   22.531   13.746   9.3619  106.050   45.567   93.910   32.063 12.14006 55.71651 
1 1 1    2   25   26 o  121.360   27.774   22.895   8.5422  -5.0380   23.132   27.305   9.1919   84.596   39.997  133.018   27.583 -48.42263 48.58594 
1 1 1    2   25   27 o  145.849   29.079   33.707   10.600   0.0000   0.0000   33.707   10.600  ?   ?   145.849   29.079 0.000000 29.07897 
1 1 1    2   25   28 o  119.781   26.513   22.540   8.0087   39.390   21.253   19.752   8.6460  129.362   47.859  109.376   29.736 19.98692 56.34399 
1 1 1    2   25   29 f   91.151   30.279   13.943   8.3507   26.440   19.155   11.011   9.2789  109.065   43.992   83.139   31.444 25.92565 54.07423 
1 1 1    2   25   30 o   57.473   25.512   0.4853   7.5828 -11.1400   15.801   3.9637   8.6431   64.505   31.172   66.438   28.375 -1.933830 42.15239 
1 1 1    2   25   31 o   84.093   29.740   12.025   8.0906   0.4571   19.695   14.374   8.8740   77.605   36.756   90.111   31.197 -12.50610 48.21031 
1 1 1    2   25   32 o   73.504   29.033   8.3363   8.1693 -20.6500   20.063   14.098   8.9444   64.188   31.831   88.067   31.257 -23.87820 44.61203 
1 1 1    2   25   33 o   99.782   30.757   18.611   8.7377   7.4300   20.192   21.187   9.6922   79.480   37.514  104.648   32.416 -25.16846 49.57966 
1 1 1    2   25   34 o   81.332   29.599   12.393   8.0781   25.200   18.990   9.5636   8.9259   93.402   40.959   74.125   29.984 19.27648 50.76111 
1 1 1    2   25   35 o   65.292   29.503   4.4739   10.641   5.4090   20.799   4.1423   12.385   73.550   35.596   66.770   30.794 6.779961 47.06719 
1 1 1    2   25   36 o   49.379   23.937  -7.0440   9.5010 -27.5100   19.834  -0.9490   10.824   56.107   28.348   57.939   27.384 -1.832748 39.41382 
1 1 1    2   25   37 o   56.987   25.606   2.8304   7.8856 -22.7700   20.126   7.4735   8.5709   56.943   28.745   65.882   28.200 -8.939419 40.26778 
1 1 1    2   25   38 o   55.948   26.258   0.6534   9.6474   0.0000   0.0000   0.6534   9.6474  ?   ?    55.948   26.258 0.000000 26.25809 
1 1 1    2   25   39 o   62.873   28.553   6.8223   10.117   4.7850   19.277   7.5967   11.885   64.723   31.931   64.456   29.880 0.2668839 43.73118 
1 1 1    2   25   40 o   39.015   19.658 -17.4770   9.1707 -42.4500   20.919 -11.5360   10.203   48.909   25.087   44.703   22.256 4.206444 33.53626 
1 1 1    2   26    0 o   75.410   33.481  -3.2958   13.065  -5.2742   17.510  -0.8114   19.622   85.483   38.301   95.666   41.802 -10.18284 56.69519 
1 1 1    2   26    1 o  135.631   37.764   26.349   13.757  -1.1278   17.695   68.340   21.874   90.752   39.674  218.286   40.166 -127.5345 56.45611 
1 1 1    2   26    2 o  195.358   26.761   52.064   13.186   42.765   15.823   73.200   23.855  173.146   36.434  224.763   42.531 -51.61647 56.00254 
1 1 1    2   26    3 o  383.804   17.280  193.735   17.179  199.607   21.166  182.400   29.407  387.569   21.163  364.919   31.417 22.65012 37.88008 
1 1 1    2   26    4 o  397.246   20.647  209.522   21.172  209.522   21.172   0.0000   0.0000  397.246   20.647  ?   ?  0.000000 20.64655 
1 1 1    2   26    5 o  356.572   15.035  166.701   13.887  175.141   20.924  160.057   18.565  362.167   22.415  346.912   20.755 15.25467 30.54808 
1 1 1    2   26    6 o  306.638   17.240  124.197   13.638  122.094   20.387  125.899   18.348  300.102   26.499  306.308   23.300 -6.206177 35.28541 
1 1 1    2   26    7 o  240.900   20.348   77.505   12.579   71.733   18.891   82.103   16.860  226.146   33.240  245.268   26.984 -19.12222 42.81415 
1 1 1    2   26    8 o  275.557   16.836  100.433   11.960  116.159   18.129   88.315   15.914  293.348   24.071  255.424   24.347 37.92413 34.23715 
1 1 1    2   26    9 o  313.033   16.825  129.640   13.592  113.871   19.964  143.265   18.558  288.540   27.027  326.697   22.059 -38.15707 34.88569 
1 1 1    2   26   10 o  124.635   33.985   22.504   11.274   10.027   18.083   30.438   14.420  105.029   42.610  143.449   38.146 -38.41975 57.19024 
1 1 1    2   26   11 o   73.321   31.673   0.3048   11.001   9.7251   17.297  -6.0939   14.256  102.732   41.675   74.322   33.807 28.40964 53.66319 
1 1 1    2   26   12 o  116.736   34.432   19.878   11.123   3.2319   15.736   36.499   15.725   89.611   38.280  155.504   39.084 -65.89308 54.70768 
1 1 1    2   26   13 o  143.219   33.864   30.285   12.365   54.841   19.030   12.341   16.267  190.106   39.915  104.193   41.028 85.91267 57.24095 
1 1 1    2   26   14 o   88.429   34.149   8.7444   11.095  -1.9482   15.758   19.253   15.623   82.053   36.580  115.643   41.281 -33.59010 55.15602 
1 1 1    2   26   15 o  211.435   23.432   61.848   12.617   60.435   18.738   63.020   17.066  199.587   37.625  207.425   32.858 -7.838379 49.95276 
1 1 1    2   26   16 o  120.579   35.756   22.217   11.969   25.493   17.632   19.416   16.300  126.888   43.972  114.750   42.002 12.13814 60.80820 
1 1 1    2   26   17 o  248.232   19.948   84.142   12.718   81.782   17.760   86.626   18.221  237.752   29.469  244.891   29.307 -7.138580 41.56126 
1 1 1    2   26   18 o   93.844   35.134   11.762   11.521   16.995   17.535   7.7867   15.283  109.623   42.764   92.150   38.453 17.47337 57.51014 
1 1 1    2   26   19 o  342.673   15.222  157.009   13.511  158.785   18.911  155.158   19.311  338.642   21.672  333.952   22.455 4.690155 31.20737 
1 1 1    2   26   20 o   49.444   24.337 -19.9708   10.984  -5.3986   16.294 -32.1105   14.872   76.651   35.340   53.814   26.805 22.83625 44.35582 
1 1 1    2   26   21 o   61.286   28.981  -9.7804   12.154  -8.9800   25.165 -10.0238   13.880   88.838   41.915   65.854   31.089 22.98389 52.18645 
1 1 1    2   26   22 o   93.012   42.927   0.2581   24.131   0.2581   24.131   0.0000   0.0000   93.012   42.927  ?   ?  0.000000 42.92669 
1 1 1    2   26   23 o   49.845   23.452  -6.2887   7.7767   21.910   22.560 -10.0911   8.2844  111.817   46.695   47.485   22.853 64.33152 51.98696 
1 1 1    2   26   24 o   43.592   21.154 -10.5731   7.4735 -20.7000   21.823  -9.2276   7.9545   72.857   35.533   46.852   22.508 26.00505 42.06214 
1 1 1    2   26   25 o  167.786   23.601   41.747   9.9737   0.0000   0.0000   41.747   9.9737  ?   ?   167.786   23.601 0.000000 23.60081 
1 1 1    2   26   26 o  126.671   29.398   26.112   9.4599  -6.8880   17.259   40.283   11.310   71.965   34.178  159.300   28.454 -87.33550 44.47178 
1 1 1    2   26   27 o   92.352   28.457   14.051   7.4802   16.730   18.063   13.496   8.2180   95.767   40.964   89.908   30.043 5.858994 50.79988 
1 1 1    2   26   28 o   51.730   24.190  -4.3141   8.0615 -13.5300   18.591  -2.1799   8.9464   67.749   32.988   57.269   26.324 10.47971 42.20363 
1 1 1    2   26   29 o   54.303   24.945  -2.0640   8.0165  -2.9220   20.275  -1.9050   8.7277   75.905   36.324   56.597   26.009 19.30765 44.67617 
1 1 1    2   26   30 o   61.685   26.422   3.3219   7.5337   11.220   20.917   2.1447   8.0757   85.612   39.671   60.690   26.660 24.92238 47.79665 
1 1 1    2   26   31 o   54.042   24.670  -0.8976   7.6783   3.6020   20.058  -1.6702   8.3114   77.181   36.711   54.680   25.221 22.50137 44.53939 
1 1 1    2   26   32 o   45.622   21.945  -6.9032   7.6182 -17.1900   17.309  -4.4318   8.4841   59.770   29.627   51.024   24.154 8.746143 38.22560 
1 1 1    2   26   33 o   56.796   25.617   1.3497   7.9808  -6.4350   18.291   3.1802   8.8696   65.380   32.024   61.384   27.398 3.996510 42.14499 
1 1 1    2   26   34 f   54.314   25.586  -1.9688   9.3089 -13.5400   20.837   0.9163   10.405   62.832   31.366   59.675   27.764 3.157043 41.88850 
1 1 1    2   26   35 o   56.292   25.975   1.1044   8.8299   4.6900   19.492   0.1785   9.9045   69.096   33.673   56.976   26.697 12.11995 42.97224 
1 1 1    2   26   36 o   49.269   23.145  -1.5989   7.5254 -35.8600   19.671   4.2752   8.1450   51.700   26.336   59.088   26.323 -7.387585 37.23591 
1 1 1    2   26   37 o   70.713   29.420   11.095   8.9079   0.0000   0.0000   11.095   8.9079  ?   ?    70.713   29.420 0.000000 29.41972 
1 1 1    2   26   38 o   50.435   23.880  -0.7907   8.3010   2.8850   16.946  -1.9511   9.5216   61.720   30.351   51.340   24.654 10.37916 39.10242 
1 1 1    2   26   39 o   46.939   22.684  -3.2566   8.3708  -7.5520   21.515  -2.4905   9.0867   57.459   29.088   48.982   23.663 8.476616 37.49718 
1 1 1    2   26   40 o   48.439   24.387 -11.8730   13.967 -19.3800   19.164  -3.3680   20.398   50.590   25.790   55.967   28.332 -5.377247 38.31230 
1 1 1    2   27    0 o   95.550   35.335   10.878   11.583  -4.3597   17.287   23.291   15.603   84.790   38.019  127.031   41.350 -42.24083 56.17133 
1 1 1    2   27    1 o  143.376   31.937   29.438   11.557   25.167   17.185   32.965   15.615  131.543   43.423  149.006   39.730 -17.46239 58.85668 
1 1 1    2   27    2 o  137.785   32.769   27.353   11.525   19.269   16.759   34.606   15.875  119.363   42.740  152.536   39.769 -33.17321 58.38009 
1 1 1    2   27    3 o  303.258   15.696  121.477   12.287  141.526   18.655  106.115   16.329  324.235   22.349  280.400   22.676 43.83502 31.83845 
1 1 1    2   27    4 o  167.662   29.516   39.615   12.351   11.591   18.404   62.578   16.659  107.823   43.251  210.583   31.509 -102.7606 53.51097 
1 1 1    2   27    5 o  158.677   31.304   35.976   12.410   10.210   18.613   56.595   16.650  105.841   43.120  198.802   33.526 -92.96178 54.62011 
1 1 1    2   27    6 o  255.427   18.375   87.122   12.076   83.694   18.511   89.662   15.934  244.469   29.852  256.324   24.288 -11.85475 38.48446 
1 1 1    2   27    7 o  257.058   18.625   88.411   12.317  101.904   18.815   78.292   16.294  271.398   27.128  237.712   26.939 33.68529 38.23076 
1 1 1    2   27    8 f  135.815   33.024   27.039   11.505   23.982   18.554   28.949   14.666  127.633   45.048  138.297   39.163 -10.66433 59.69187 
1 1 1    2   27    9 o  270.082   18.136   97.686   12.614   79.703   19.118  111.554   16.788  235.728   32.147  286.005   22.851 -50.27739 39.44156 
1 1 1    2   27   10 o  318.859   16.786  135.589   13.815  162.579   20.613  113.577   18.615  344.818   23.213  286.501   25.345 58.31726 34.36916 
1 1 1    2   27   11 o  328.583   16.178  143.585   13.770  147.500   20.461  140.344   18.616  326.952   24.334  320.243   22.587 6.708740 33.20100 
1 1 1    2   27   12 o  225.593   21.686   69.831   12.516   59.601   17.865   79.694   17.541  198.961   35.989  235.911   29.338 -36.95006 46.43216 
1 1 1    2   27   13 o   61.250   28.457  -7.2355   10.870 -12.1893   16.991  -3.8025   14.144   73.705   34.673   74.849   33.900 -1.144325 48.49186 
1 1 1    2   27   14 o  153.868   30.616   35.084   11.773   29.583   17.645   39.498   15.806  133.803   43.993  157.704   38.929 -23.90088 58.74357 
1 1 1    2   27   15 o  244.575   21.583   82.746   13.533   80.257   19.666   84.986   18.652  230.675   33.926  240.480   30.639 -9.804977 45.71331 
1 1 1    2   27   16 o  256.265   19.069   89.789   12.567   96.896   18.346   83.506   17.250  258.895   27.791  239.731   28.327 19.16428 39.68331 
1 1 1    2   27   17 o  235.867   19.517   76.555   11.817   80.902   19.269   73.934   14.961  230.523   33.230  226.834   25.929 3.689117 42.14866 
1 1 1    2   27   18 o  125.469   35.014   25.242   11.812   11.029   17.723   36.601   15.844   98.095   41.204  147.115   40.361 -49.02037 57.67850 
1 1 1    2   27   19 o   79.894   32.811   6.4106   10.886   20.794   17.050  -3.4868   14.143  111.926   42.554   72.827   33.336 39.09889 54.05623 
1 1 1    2   27   20 o   58.824   29.362 -37.1400   18.244 -37.1400   18.244   0.0000   0.0000   58.824   29.362  ?   ?  0.000000 29.36232 
1 1 1    2   27   21 o   92.345   42.238   3.9900   22.648   3.9900   22.648   0.0000   0.0000   92.345   42.238  ?   ?  0.000000 42.23814 
1 1 1    2   27   22 o   45.883   22.269 -11.4168   8.2891 -13.5200   23.395 -11.1148   8.8641   79.204   38.190   48.262   23.328 30.94223 44.75108 
1 1 1    2   27   23 o   81.114   29.237   9.9432   7.8545   37.800   25.728   7.0800   8.2483  124.081   50.640   74.121   29.206 49.96056 58.45856 
1 1 1    2   27   24 o  111.643   34.954   22.372   11.235   0.0000   0.0000   22.372   11.235  ?   ?   111.643   34.954 0.000000 34.95364 
1 1 1    2   27   25 o   70.617   30.068   4.9375   9.6511   33.380   22.656  -1.3678   10.667  115.083   47.307   63.202   28.938 51.88074 55.45601 
1 1 1    2   27   26 o   52.860   24.010  -1.4040   7.1582 -23.5800   20.154   1.7973   7.6574   64.708   32.056   59.933   26.153 4.775280 41.37083 
1 1 1    2   27   27 o   46.645   22.502  -8.7072   8.1475 -25.2300   20.132  -5.4708   8.9098   63.177   31.423   52.573   24.846 10.60406 40.05919 
1 1 1    2   27   28 o   45.778   22.137  -8.7989   8.0029 -20.4000   20.703  -6.7608   8.6774   65.384   32.409   50.070   23.907 15.31355 40.27225 
1 1 1    2   27   29 o   64.766   27.251   4.9214   7.7741   14.780   21.096   3.3722   8.3626   86.627   40.035   62.824   27.374 23.80311 48.49900 
1 1 1    2   27   30 o   81.274   28.571   11.880   7.4565   17.950   18.613   10.720   8.1380   87.350   39.286   77.642   29.428 9.707619 49.08541 
1 1 1    2   27   31 o   68.173   27.509   7.4106   7.4933   10.170   14.789   6.4576   8.6915   76.375   34.621   67.156   28.562 9.218765 44.88253 
1 1 1    2   27   32 o   73.359   28.352   10.011   7.6518   29.600   20.538   6.8539   8.2454   91.465   41.190   66.298   27.990 25.16671 49.79961 
1 1 1    2   27   33 f   45.837   22.506 -10.0540   9.2053 -29.4500   20.748  -5.3002   10.272   56.019   28.382   52.302   25.240 3.716915 37.98162 
1 1 1    2   27   34 o   47.120   23.087  -8.6505   9.5296 -15.5200   19.367  -6.4558   10.946   58.114   29.186   51.809   25.245 6.304592 38.58955 
1 1 1    2   27   35 o   44.267   21.626  -7.4064   8.1827 -11.9800   18.733  -6.3281   9.0963   57.693   28.937   47.430   23.090 10.26264 37.02040 
1 1 1    2   27   36 o   78.038   30.706   15.262   9.1050   0.0000   0.0000   15.262   9.1050  ?   ?    78.038   30.706 0.000000 30.70570 
1 1 1    2   27   37 o   45.458   22.435  -8.3151   9.5466 -36.6100   17.623   3.4361   11.357   46.577   23.826   57.860   27.550 -11.28298 36.42371 
1 1 1    2   27   38 o   52.303   24.312   2.5657   7.9495 -24.6200   21.612   6.8195   8.5488   51.933   26.552   58.862   26.535 -6.928356 37.53755 
1 1 1    2   27   39 o   38.655   19.637 -20.9878   10.395 -46.8700   21.518 -13.1095   11.872   45.936   23.648   44.598   22.458 1.338032 32.61224 
1 1 1    2   28    0 o  101.569   34.960   14.337   11.136   10.266   15.150   19.124   16.425   98.549   39.343  116.210   42.219 -17.66029 57.70872 
1 1 1    2   28    1 o  256.224   19.218   88.440   12.662   89.875   18.859   87.261   17.085  251.996   29.447  250.069   26.793 1.927750 39.81242 
1 1 1    2   28    2 o  258.649   18.735   89.973   12.467   93.532   19.739   87.611   16.080  256.390   30.308  251.651   24.999 4.739105 39.28753 
1 1 1    2   28    3 o  429.501   14.179  243.593   15.774  236.602   23.081  249.720   21.608  417.727   21.403  431.321   19.341 -13.59448 28.84669 
1 1 1    2   28    4 o  193.946   24.315   52.221   11.947   37.222   17.322   65.828   16.499  153.540   42.234  214.156   30.614 -60.61601 52.16206 
1 1 1    2   28    5 o  333.733   16.316  148.180   14.105  125.441   21.014  166.825   19.028  298.941   27.444  350.488   21.056 -51.54773 34.59118 
1 1 1    2   28    6 o  408.655   14.623  221.192   15.479  239.753   23.320  206.573   20.696  419.595   21.529  390.266   20.545 29.32935 29.75857 
1 1 1    2   28    7 o  213.248   19.779   61.882   10.801   61.075   16.123   62.538   14.548  204.737   31.404  209.914   27.410 -5.176651 41.68328 
1 1 1    2   28    8 o  192.024   24.901   51.803   12.094   47.669   18.312   55.001   16.107  172.796   41.445  192.202   33.575 -19.40552 53.33842 
1 1 1    2   28    9 o  109.829   34.763   18.184   11.084   34.711   17.560   7.2378   14.290  145.176   43.368   90.263   37.383 54.91308 57.25653 
1 1 1    2   28   10 o  230.461   20.772   73.016   12.267   84.503   17.019   60.595   17.697  242.973   27.527  199.216   35.601 43.75703 45.00222 
1 1 1    2   28   11 o  117.736   33.897   21.372   10.897   18.385   18.148   23.057   13.628  112.163   43.575  120.482   38.591 -8.318687 58.20684 
1 1 1    2   28   12 o  172.967   26.769   43.280   11.606   47.998   16.939   39.105   15.934  172.972   38.766  154.947   39.562 18.02489 55.38877 
1 1 1    2   28   13 o  123.299   35.274   24.080   11.835   1.3000   18.060   41.227   15.669   87.511   39.075  159.596   38.373 -72.08547 54.76692 
1 1 1    2   28   14 o   71.152   31.043   1.0845   10.785 -10.0699   16.591   9.2481   14.194   72.876   34.277   91.281   37.474 -18.40485 50.78624 
1 1 1    2   28   15 f  127.727   32.775   25.640   10.898   17.775   17.340   30.774   14.010  107.764   42.383  136.127   38.184 -28.36306 57.04692 
1 1 1    2   28   16 o   83.022   33.806   7.5724   11.433   20.442   17.530  -1.9523   15.081  111.324   42.945   76.593   34.813 34.73145 55.28286 
1 1 1    2   28   17 o  135.640   33.561   29.639   11.727   33.800   21.657   27.912   13.949  130.923   48.336  127.322   38.794 3.600510 61.97832 
1 1 1    2   28   18 o   67.654   32.090 -10.1138   15.122  -5.7790   23.869 -13.0200   19.544   86.566   40.837   74.573   35.681 11.99314 54.22894 
1 1 1    2   28   19 o  137.792   43.119   36.271   17.099   36.271   17.099   0.0000   0.0000  137.792   43.119  ?   ?  0.000000 43.11851 
1 1 1    2   28   20 o   58.094   27.610  -8.7688   11.303  -8.0160   13.148 -10.9000   22.123   63.668   30.118   78.366   37.618 -14.69814 48.18997 
1 1 1    2   28   21 f   73.080   31.639   4.1974   11.027  -4.4810   17.914   9.4925   13.993   75.430   35.521   85.478   36.295 -10.04815 50.78448 
1 1 1    2   28   22 o   54.202   25.247  -4.2703   8.6442   0.0000   0.0000  -4.2703   8.6442  ?   ?    54.202   25.247 0.000000 25.24682 
1 1 1    2   28   23 o   73.758   30.737   6.6958   9.7466 -16.4400   22.186   12.229   10.850   71.782   35.183   85.847   33.597 -14.06519 48.64758 
1 1 1    2   28   24 o   69.965   28.915   6.0506   8.5230  -8.1870   20.986   8.8628   9.3268   73.744   35.706   76.912   30.812 -3.167519 47.16220 
1 1 1    2   28   25 o   42.420   20.594  -9.0547   7.1032  -3.6120   19.609  -9.8767   7.6208   73.964   35.482   43.530   21.179 30.43338 41.32170 
1 1 1    2   28   26 o   56.492   25.695  -0.5555   8.2342 -13.0700   19.813   2.0572   9.0530   67.522   33.126   62.477   27.798 5.045609 43.24400 
1 1 1    2   28   27 o   61.877   27.163   2.8950   8.3715 -12.0600   19.875   6.1205   9.2303   67.146   32.989   69.083   29.409 -1.936981 44.19455 
1 1 1    2   28   28 o   61.464   26.660   3.5912   7.8583 -19.5100   18.572   8.6288   8.6729   60.673   30.178   72.698   29.504 -12.02468 42.20424 
1 1 1    2   28   29 o   39.606   19.395  -9.3511   6.6965 -16.5800   15.384  -7.6613   7.4381   56.196   27.869   43.893   21.253 12.30341 35.04837 
1 1 1    2   28   30 o   54.104   24.420   0.9979   7.2660 -13.2600   18.354   3.6477   7.9124   60.932   30.255   59.956   26.362 0.9759407 40.12905 
1 1 1    2   28   31 o   40.199   19.923 -12.2724   7.8135  -9.6180   20.065 -12.7468   8.4832   62.781   31.250   41.878   20.755 20.90379 37.51425 
1 1 1    2   28   32 f   61.632   28.521   3.8734   10.759  -3.6320   20.598   6.6891   12.616   64.119   31.874   66.188   30.719 -2.068596 44.26780 
1 1 1    2   28   33 o   62.849   28.485   6.2799   10.006   23.650   18.843  -0.5422   11.809   78.445   36.778   57.118   27.436 21.32685 45.88449 
1 1 1    2   28   34 o   52.273   24.601   0.1312   8.5696 -17.1100   19.495   4.2605   9.5408   55.329   27.973   58.675   27.049 -3.345596 38.91136 
1 1 1    2   28   35 o   37.986   19.117 -16.4655   8.5340   0.0000   0.0000 -16.4655   8.5340  ?   ?    37.986   19.117 0.000000 19.11714 
1 1 1    2   28   36 o   54.963   26.239   2.3131   10.444   22.850   20.571  -4.8182   12.122   69.021   33.839   51.159   25.255 17.86184 42.22463 
1 1 1    2   28   37 o   48.627   23.475  -1.0765   8.9038 -17.9500   20.604   2.7981   9.8733   51.801   26.438   53.503   25.533 -1.702263 36.75480 
1 1 1    2   28   38 o   39.178   19.713 -13.0909   9.0479 -45.0200   22.652  -7.0296   9.8694   46.249   23.830   44.224   21.997 2.024315 32.43060 
1 1 1    2   29    0 o  203.341   24.073   58.094   12.434   40.772   18.838   71.465   16.551  155.586   44.501  221.629   29.567 -66.04308 53.42784 
1 1 1    2   29    1 o  158.333   29.577   36.883   11.684   28.504   17.230   44.017   15.898  131.445   43.485  167.538   37.561 -36.09322 57.46103 
1 1 1    2   29    2 o  242.444   20.430   80.674   12.710   70.606   18.781   89.181   17.265  215.827   34.777  249.834   27.113 -34.00710 44.09694 
1 1 1    2   29    3 o  155.375   29.084   35.481   11.275   40.137   18.554   32.755   14.197  154.215   44.181  143.639   37.686 10.57677 58.07082 
1 1 1    2   29    4 o   63.445   28.952  -4.2818   10.561  -8.7773   14.736   0.4666   15.145   70.418   32.855   81.615   36.151 -11.19753 48.84980 
1 1 1    2   29    5 o  124.816   35.038   24.363   11.792   16.136   17.725   30.895   15.794  107.870   42.715  136.716   41.196 -28.84583 59.34388 
1 1 1    2   29    6 o  177.430   26.892   45.551   11.972   58.276   18.914   37.043   15.465  190.302   39.656  150.967   39.199 39.33455 55.75994 
1 1 1    2   29    7 o  134.779   31.544   27.715   10.818   32.440   16.148   23.868   14.570  138.958   41.607  121.021   39.985 17.93678 57.70514 
1 1 1    2   29    8 o  130.017   33.219   26.331   11.228   15.838   16.237   35.948   15.545  105.059   41.105  147.345   39.793 -42.28651 57.21088 
1 1 1    2   29    9 o  204.298   23.968   59.365   12.442   60.401   18.122   58.441   17.114  194.628   37.305  193.052   35.532 1.575775 51.51862 
1 1 1    2   29   10 o   76.634   32.159   4.4677   10.779   3.4747   15.607   5.3735   14.905   84.881   37.179   86.183   37.047 -1.301620 52.48581 
1 1 1    2   29   11 o  276.636   18.208  104.884   12.975  109.086   20.154  101.910   16.955  270.973   29.174  266.510   24.847 4.463440 38.32073 
1 1 1    2   29   12 o  105.925   34.835   17.900   11.063   11.958   15.726   23.722   15.567   96.278   39.476  117.632   41.285 -21.35411 57.12125 
1 1 1    2   29   13 o   77.649   32.168   5.7232   10.585   44.578   18.167 -14.2473   13.024  157.493   43.223   59.380   28.597 98.11307 51.82632 
1 1 1    2   29   14 o   84.623   32.472   9.7628   9.9852   6.2876   14.460   12.930   13.805   84.885   36.489   94.829   37.651 -9.943588 52.43140 
1 1 1    2   29   15 o   87.815   36.058   9.7347   13.145  -7.6390   26.236   15.557   15.188   87.998   41.893   99.564   39.504 -11.56612 57.58110 
1 1 1    2   29   16 o  137.725   38.211   33.506   14.111   50.600   26.742   26.910   16.612  145.206   53.691  119.083   42.562 26.12286 68.51457 
1 1 1    2   29   17 o   69.348   31.243  -0.0752   11.831   3.2438   14.493  -6.7040   20.482   78.732   35.091   78.876   37.394 -0.1440735 51.28093 
1 1 1    2   29   18 o  157.262   32.553   41.056   12.824   47.455   16.154   30.150   21.088  161.243   39.084  117.019   46.511 44.22401 60.75229 
1 1 1    2   29   19 o   72.879   31.894   3.9441   11.462  -6.3865   14.041   24.580   19.845   66.010   31.195  107.531   44.248 -41.52100 54.13881 
1 1 1    2   29   20 o   66.858   30.322   0.3125   11.361   30.520   18.653 -17.5048   14.325  115.324   44.350   57.544   28.218 57.78005 52.56590 
1 1 1    2   29   21 o   61.367   28.367  -2.2133   10.599   0.1381   12.540  -8.0980   19.837   68.233   31.290   72.701   35.082 -4.468529 47.00885 
1 1 1    2   29   22 o   80.988   32.066   10.828   9.9875   8.3070   19.270   11.754   11.678   83.471   38.466   83.428   34.091 0.4373932E-01 51.39888 
1 1 1    2   29   23 o   84.903   30.204   12.711   8.3568   13.890   17.292   12.352   9.5455   86.903   38.554   83.479   31.816 3.423073 49.98659 
1 1 1    2   29   24 o   55.307   25.049  -0.2476   7.7228 -14.7700   17.962   3.0456   8.5537   63.451   31.211   62.753   27.505 0.6988106 41.60083 
1 1 1    2   29   25 o  102.936   30.140   19.528   8.5507 -11.9900   18.317   28.310   9.6688   64.704   31.765  125.362   30.145 -60.65844 43.79198 
1 1 1    2   29   26 o   67.339   27.970   6.5095   8.0330   1.6390   16.474   8.0288   9.2010   70.599   33.489   71.466   29.830 -0.8668823 44.84832 
1 1 1    2   29   27 o   67.855   27.365   7.3473   7.4104   21.570   15.162   2.8833   8.4941   91.045   38.170   60.430   26.904 30.61556 46.69871 
1 1 1    2   29   28 o   70.810   26.840   8.9091   6.7700   14.690   18.329   7.9959   7.2852   79.030   36.796   68.396   27.290 10.63444 45.81094 
1 1 1    2   29   29 o   58.745   26.302   3.2374   8.2414   18.330   19.703   0.0367   9.0733   79.108   37.253   55.637   25.899 23.47047 45.37073 
1 1 1    2   29   30 o   67.247   28.836   8.4863   8.9912   0.3417   20.478   10.431   10.007   65.814   32.552   70.652   30.363 -4.838547 44.51419 
1 1 1    2   29   31 o   56.340   27.634  -4.5832   13.765  -5.4930   20.218  -3.7970   18.794   61.349   30.666   61.187   30.421 0.1627426 43.19583 
1 1 1    2   29   32 o   64.929   27.630   8.6364   8.1414   6.5560   18.527   9.1342   9.0633   64.615   31.767   65.646   28.552 -1.031677 42.71238 
1 1 1    2   29   33 o   44.857   21.895  -5.8661   8.3337 -29.1400   19.135  -0.4181   9.2578   50.261   25.636   51.843   24.737 -1.581715 35.62456 
1 1 1    2   29   34 o   45.058   22.181  -6.9536   9.1306   0.0000   0.0000  -6.9536   9.1306  ?   ?    45.058   22.181 0.000000 22.18061 
1 1 1    2   29   35 o   61.187   27.685   9.0151   9.4071   2.4430   21.041   10.657   10.517   58.263   29.409   62.933   28.784 -4.670151 41.15086 
1 1 1    2   29   36 o   53.222   25.097   4.1824   8.9978   5.4370   19.635   3.8489   10.123   56.913   28.687   53.493   25.617 3.419743 38.46006 
1 1 1    2   29   37 o   67.144   30.329   18.626   11.233 -28.4100   22.281   34.656   13.007   47.633   24.497   84.442   35.375 -36.80910 43.02924 
1 1 1    2   30    0 o  248.652   19.535   85.482   12.481   76.253   19.112   92.344   16.480  220.932   34.527  253.060   25.488 -32.12856 42.91552 
1 1 1    2   30    1 o  334.139   16.542  151.076   14.317  153.707   20.697  148.661   19.826  328.072   24.532  323.464   23.830 4.607574 34.20113 
1 1 1    2   30    2 o  253.445   19.352   88.727   12.609   61.820   17.868  115.412   17.794  196.627   36.424  284.169   24.411 -87.54243 43.84736 
1 1 1    2   30    3 o  211.635   23.494   63.862   12.662   55.491   19.043   70.496   16.952  180.448   41.593  215.283   31.318 -34.83469 52.06553 
1 1 1    2   30    4 o  262.501   18.483   94.746   12.488   71.179   17.684  118.186   17.636  214.608   32.858  287.908   23.864 -73.29947 40.60939 
1 1 1    2   30    5 o  274.330   18.823  103.757   13.295   92.182   19.623  113.578   18.075  245.711   31.561  280.614   25.133 -34.90337 40.34569 
1 1 1    2   30    6 o  275.615   18.506  104.636   13.136   84.409   19.189  122.473   18.019  233.545   32.609  292.486   23.995 -58.94048 40.48603 
1 1 1    2   30    7 o  108.116   34.166   18.830   10.709   13.369   15.690   23.594   14.654   97.953   39.708  117.156   40.113 -19.20309 56.44261 
1 1 1    2   30    8 o  191.057   24.845   53.184   12.005   44.093   17.841   60.705   16.228  156.687   42.764  196.472   33.061 -39.78461 54.05362 
1 1 1    2   30    9 o  194.648   23.869   54.892   11.782   44.587   16.255   66.299   17.103  160.983   39.320  204.518   33.439 -43.53419 51.61675 
1 1 1    2   30   10 o  266.822   17.876   98.353   12.283   78.038   19.209  112.405   15.977  219.619   34.937  280.734   22.150 -61.11497 41.36683 
1 1 1    2   30   11 o  124.935   34.846   26.206   11.702   13.511   16.978   37.697   16.153   97.114   40.527  143.784   41.232 -46.67020 57.81452 
1 1 1    2   30   12 o  186.725   28.654   53.670   13.417   65.310   24.649   48.770   15.993  174.610   51.187  168.348   37.623 6.261963 63.52583 
1 1 1    2   30   13 o  235.094   28.040   84.818   16.738   63.040   28.440   96.360   20.704  157.622   55.759  242.537   33.880 -84.91495 65.24492 
1 1 1    2   30   14 o  164.066   31.609   43.777   12.946   50.401   17.124   34.940   19.779  165.460   40.322  127.168   46.309 38.29225 61.40395 
1 1 1    2   30   15 o   78.008   31.171   8.2072   9.5192   11.898   14.672   5.5238   12.510   89.562   37.548   77.506   33.627 12.05654 50.40478 
1 1 1    2   30   16 o   68.168   30.287   1.8702   10.710   1.6674   16.495   2.0180   14.081   77.833   35.764   74.582   33.798 3.251228 49.20739 
1 1 1    2   30   17 o  133.758   36.125   33.128   12.811   7.3220   17.675   61.690   18.595   83.907   37.959  177.254   41.270 -93.34708 56.07184 
1 1 1    2   30   18 o   90.477   36.772   14.889   13.495   22.470   20.635   9.2230   17.839  100.148   43.320   84.760   38.259 15.38821 57.79571 
1 1 1    2   30   19 o   57.983   27.517  -6.0175   11.145  -4.0509   13.950  -9.4880   18.532   65.749   31.079   69.012   33.448 -3.263466 45.65835 
1 1 1    2   30   20 o   55.042   25.694  -3.3113   9.0298   2.5430   12.150 -10.5351   13.496   68.943   31.302   58.873   28.537 10.07069 42.35749 
1 1 1    2   30   21 o   99.410   33.050   19.196   9.9488   25.482   14.747   13.945   13.478  104.352   39.599   85.242   35.875 19.10979 53.43306 
1 1 1    2   30   22 o   72.713   31.912   7.0020   11.547   18.890   21.463   2.1592   13.699   89.009   40.861   69.152   32.065 19.85683 51.94054 
1 1 1    2   30   23 o   98.300   30.715   18.413   8.6802 -23.4400   19.909   28.236   9.6452   60.749   30.376  124.213   30.257 -63.46400 42.87434 
1 1 1    2   30   24 o   55.057   25.203  -0.2146   8.0855  -5.2140   17.792   1.0866   9.0770   66.372   32.307   59.127   26.926 7.245792 42.05697 
1 1 1    2   30   25 o   77.409   29.732   11.461   8.3763   9.0070   18.323   12.109   9.4180   75.485   35.661   78.308   31.096 -2.823799 47.31499 
1 1 1    2   30   26 o   65.850   27.352   6.9561   7.6822   6.5650   19.359   7.0292   8.3694   72.327   34.840   66.471   28.138 5.856148 44.78364 
1 1 1    2   30   27 o   50.294   23.212  -0.5125   7.0567 -11.8700   19.200   1.2612   7.5878   60.654   30.251   54.236   24.668 6.418640 39.03392 
1 1 1    2   30   28 o   52.326   24.585  -0.8645   8.4966   13.350   20.419  -3.8410   9.3439   72.390   35.092   50.819   24.409 21.57150 42.74607 
1 1 1    2   30   29 f   55.023   26.362  -0.9986   10.748   13.670   20.985  -6.2152   12.514   70.169   34.355   53.418   26.231 16.75094 43.22405 
1 1 1    2   30   30 o   42.708   21.434 -16.2752   10.356  -9.7800   19.949 -18.6712   12.116   57.724   29.073   45.006   22.666 12.71749 36.86437 
1 1 1    2   30   31 o   51.155   24.027   0.7458   8.1031   3.9380   17.393  -0.1392   9.1577   60.888   30.094   51.742   24.665 9.145748 38.90993 
1 1 1    2   30   32 o   58.000   26.067   6.1468   8.1773  -5.6500   19.556   8.6466   9.0021   56.369   28.440   62.007   27.645 -5.637997 39.66236 
1 1 1    2   30   33 o   72.173   31.757   18.297   11.500   0.0000   0.0000   18.297   11.500  ?   ?    72.173   31.757 0.000000 31.75650 
1 1 1    2   30   34 o   48.525   23.321   0.1286   8.5570 -14.8300   21.361   2.9878   9.3391   51.811   26.482   52.265   24.912 -0.4531746 36.35802 
1 1 1    2   30   35 o   42.054   20.683  -4.6269   7.8793 -11.5300   15.806  -2.3443   9.0891   47.864   24.305   45.851   22.482 2.012749 33.10878 
1 1 1    2   31    0 o   84.384   33.374   9.5024   10.808   6.3662   14.428   13.512   16.315   84.108   36.302   96.681   39.985 -12.57342 54.00577 
1 1 1    2   31    1 o   73.826   31.418   4.2040   10.527   8.3130   15.199   0.4152   14.595   87.906   37.588   76.704   34.616 11.20162 51.09917 
1 1 1    2   31    2 o  142.686   31.906   32.671   11.497   6.7593   15.767   62.085   16.799   86.443   37.629  195.295   34.468 -108.8527 51.02887 
1 1 1    2   31    3 o  187.086   24.404   51.450   11.545   43.493   15.612   61.053   17.150  158.190   38.471  191.904   35.819 -33.71429 52.56419 
1 1 1    2   31    4 o  299.817   16.885  123.729   13.059  128.371   19.654  120.060   17.475  293.771   26.100  287.308   23.693 6.463593 35.24979 
1 1 1    2   31    5 o   89.551   33.994   12.117   10.870   19.837   15.117   3.8539   15.641  106.218   40.144   82.088   36.531 24.13015 54.27763 
1 1 1    2   31    6 o  102.546   35.491   17.784   11.485   17.679   17.349   17.866   15.322  102.316   41.651  102.222   39.948 0.9477234E-01 57.71199 
1 1 1    2   31    7 o  145.680   31.383   34.288   11.493   15.000   19.703   44.234   14.149   99.087   42.594  162.562   34.660 -63.47565 54.91423 
1 1 1    2   31    8 o   81.963   34.728   7.4970   12.768   35.930   23.166  -4.9072   15.301  125.570   49.107   71.281   33.331 54.28899 59.35031 
1 1 1    2   31    9 o  135.903   39.217   34.242   14.571   13.590   20.195   56.670   21.045   96.364   42.249  165.128   46.968 -68.76403 63.17408 
1 1 1    2   31   10 o  142.170   37.343   36.465   13.929   19.498   17.953   62.130   22.080  102.398   42.104  170.546   47.969 -68.14806 63.82657 
1 1 1    2   31   11 o  212.055   24.862   68.064   13.397   68.758   16.251   66.590   23.671  204.565   31.694  170.907   50.177 33.65848 59.34809 
1 1 1    2   31   12 o  154.957   27.383   37.942   10.589   37.376   18.050   38.240   13.076  130.514   44.520  147.255   34.828 -16.74060 56.52399 
1 1 1    2   31   13 o  247.390   18.402   87.334   11.708   76.419   17.366   96.428   15.852  212.109   32.655  251.086   24.692 -38.97760 40.93978 
1 1 1    2   31   14 o   59.004   27.678  -4.5587   10.696   26.320   21.959 -14.1631   12.247  104.619   44.969   54.417   26.557 50.20174 52.22567 
1 1 1    2   31   15 o   68.129   31.788  -1.5681   13.797   1.6050   20.051  -4.4210   19.013   79.005   37.319   73.424   35.147 5.580917 51.26442 
1 1 1    2   31   16 o   86.842   35.783   13.863   13.001   19.090   19.876   9.9540   17.187   93.643   41.450   83.129   37.535 10.51428 55.91902 
1 1 1    2   31   17 o   87.832   33.950   14.707   10.973   15.642   15.427   13.750   15.610   88.383   37.833   85.812   37.396 2.571159 53.19543 
1 1 1    2   31   18 o   46.248   22.318  -8.0341   8.0295  -0.9965   11.393 -14.9788   11.318   62.509   29.072   50.042   24.646 12.46671 38.11308 
1 1 1    2   31   19 o   62.509   27.752   2.8445   8.9760  -2.9258   13.441   7.4895   12.059   63.576   30.184   73.558   32.436 -9.981960 44.30776 
1 1 1    2   31   20 o   75.941   30.579   10.183   9.2379   37.732   14.639  -8.0475   11.908  126.310   39.949   55.805   26.990 70.50459 48.21180 
1 1 1    2   31   21 o   77.531   30.616   11.234   9.0823   14.052   12.173   7.6954   13.641   82.047   34.285   73.294   33.235 8.753822 47.74921 
1 1 1    2   31   22 o   44.658   21.572  -7.0541   7.5468  -3.3865   9.4914 -13.3586   12.444   53.910   25.528   52.165   25.721 1.744366 36.23889 
1 1 1    2   31   23 o  113.380   27.782   23.584   8.0954   11.760   19.534   26.036   8.8952   76.546   36.356  117.133   29.371 -40.58729 46.73769 
1 1 1    2   31   24 o   67.212   27.632   7.8314   7.7307   9.3320   19.041   7.5352   8.4593   72.973   34.995   66.892   28.301 6.080978 45.00708 
1 1 1    2   31   25 o   58.169   25.930   3.5730   7.9160 -27.4500   19.352   9.8070   8.6749   54.405   27.547   70.367   29.134 -15.96172 40.09511 
1 1 1    2   31   26 o   54.135   24.516   2.1694   7.3949 -14.9000   19.301   5.1062   8.0058   57.546   28.933   59.921   26.425 -2.375149 39.18399 
1 1 1    2   31   27 o   65.872   27.827   8.8708   8.1578  -5.8650   20.407   11.673   8.8998   60.355   30.263   71.073   29.474 -10.71793 42.24419 
1 1 1    2   31   28 o   93.373   38.222   33.675   14.712   27.330   21.671   39.100   20.037   74.040   35.951   84.647   39.084 -10.60722 53.10398 
1 1 1    2   31   29 o   43.628   21.468  -7.3456   8.5247  -2.0410   19.918  -8.5352   9.4323   58.527   29.421   44.666   22.092 13.86032 36.79226 
1 1 1    2   31   30 o   41.295   20.243  -6.2033   7.3527  -6.8340   16.598  -6.0493   8.2014   53.589   26.928   43.422   21.304 10.16691 34.33636 
1 1 1    2   31   31 o   57.027   25.724   6.4974   8.0497   0.0000   0.0000   6.4974   8.0497  ?   ?    57.027   25.724 0.000000 25.72409 
1 1 1    2   31   32 o   49.942   24.443  -0.6360   10.595   0.0000   0.0000  -0.6360   10.595  ?   ?    49.942   24.443 0.000000 24.44311 
1 1 1    2   31   33 o   49.362   23.748   1.8308   8.9278 -26.0000   21.579   7.5786   9.8064   47.994   24.666   55.724   26.253 -7.730263 36.02276 
1 1 1    2   31   34 o   34.483   17.425 -13.6013   7.5118 -12.7800   16.481 -13.8167   8.4394   46.506   23.727   36.454   18.427 10.05171 30.04232 
1 1 1    2   32    0 o   88.691   36.869   11.913   13.973   6.0990   18.597   19.450   21.175   85.458   38.772  101.447   43.882 -15.98895 58.55674 
1 1 1    2   32    1 o  116.463   41.028   27.209   15.383   23.650   21.325   31.070   22.212  106.425   44.976  115.602   47.101 -9.176483 65.12595 
1 1 1    2   32    2 o  191.192   31.086   59.767   14.866   60.690   21.554   58.930   20.532  167.323   47.511  167.711   45.917 -0.3879242 66.07362 
1 1 1    2   32    3 o  119.961   41.154   29.112   15.426   10.140   21.268   50.170   22.407   91.291   41.435  144.364   49.596 -53.07336 64.62701 
1 1 1    2   32    4 o  129.413   35.642   30.243   12.328   29.743   15.760   31.030   19.789  120.322   41.579  116.869   45.474 3.453827 61.61776 
1 1 1    2   32    5 o   84.530   34.689   10.670   12.156   4.6606   15.097   21.750   20.498   79.029   35.475  102.840   43.804 -23.81189 56.36784 
1 1 1    2   32    6 o  131.688   36.639   32.190   12.955   33.160   16.601   30.680   20.716  124.485   42.694  113.988   45.829 10.49690 62.63470 
1 1 1    2   32    7 o  110.812   33.185   21.910   10.272   29.401   14.889   15.106   14.190  119.447   40.435   92.298   37.631 27.14886 55.23713 
1 1 1    2   32    8 o  134.410   31.073   30.795   10.602   33.051   15.866   28.974   14.251  124.161   41.742  119.034   39.555 5.126266 57.50664 
1 1 1    2   32    9 o  113.296   32.116   22.826   9.8573   23.037   15.212   22.672   12.942  104.338   40.069  106.460   37.619 -2.122169 54.96078 
1 1 1    2   32   10 o   79.885   33.795   9.3394   12.061   17.370   21.656   5.7287   14.521   93.613   42.213   77.243   34.724 16.36934 54.66002 
1 1 1    2   32   11 o   70.084   30.740   4.5630   10.701 -16.9300   19.035   14.494   12.939   65.261   32.107   88.316   35.963 -23.05502 48.20941 
1 1 1    2   32   12 o   87.754   36.289   14.694   13.437   49.040   21.586  -7.0320   17.168  131.344   48.295   67.887   32.728 63.45770 58.33981 
1 1 1    2   32   13 o   81.182   33.916   11.421   11.909   7.3447   15.200   17.900   19.163   77.514   35.122   90.442   40.328 -12.92750 53.47757 
1 1 1    2   32   14 o   71.658   29.902   7.4767   9.2418   6.0046   12.436   9.2926   13.812   72.579   32.415   78.056   34.551 -5.476952 47.37657 
1 1 1    2   32   15 o   94.353   35.642   19.216   11.913   20.762   15.871   17.220   18.029   92.788   38.984   87.289   39.004 5.499626 55.14647 
1 1 1    2   32   16 o  107.521   34.051   23.871   10.633  -4.5642   13.965   63.100   16.402   62.434   29.949  175.154   37.296 -112.7201 47.83186 
1 1 1    2   32   17 o   76.564   30.209   10.741   8.8355  -3.6456   13.209   22.391   11.886   61.430   29.377   99.139   35.930 -37.70943 46.41085 
1 1 1    2   32   18 o   89.835   31.658   16.511   9.1594   19.253   13.526   14.188   12.448   88.992   36.564   81.394   34.378 7.597649 50.18745 
1 1 1    2   32   19 o   66.099   28.224   6.3859   8.5477  -5.7439   12.012   18.828   12.166   56.602   27.310   88.830   35.321 -32.22867 44.64768 
1 1 1    2   32   20 o   66.781   28.361   7.0860   8.5463   7.5585   11.169   6.4186   13.274   69.268   30.844   69.187   31.898 0.8146667E-01 44.37202 
1 1 1    2   32   21 o   56.284   25.774   1.2648   8.4665   5.5045   11.922  -3.0495   12.026   66.197   30.413   57.669   27.697 8.527916 41.13465 
1 1 1    2   32   22 o   53.779   25.120  -0.4084   8.6524 -10.0082   12.111   9.5993   12.366   51.861   25.532   70.266   31.772 -18.40536 40.76007 
1 1 1    2   32   23 o   70.538   30.741   10.748   10.550 -10.3600   19.262   19.793   12.609   59.702   29.857   83.251   34.850 -23.54826 45.89039 
1 1 1    2   32   24 o   50.086   23.666  -1.3292   8.0749 -19.5700   19.361   2.5117   8.8845   55.136   27.875   56.328   26.014 -1.192188 38.12805 
1 1 1    2   32   25 o   66.305   28.283   9.5940   8.5672 -18.1200   20.190   15.680   9.4612   55.105   27.927   77.491   31.037 -22.38597 41.75166 
1 1 1    2   32   26 o   81.023   31.745   18.497   9.6943   6.0690   20.430   22.109   11.013   62.485   31.171   84.298   33.579 -21.81279 45.81639 
1 1 1    2   32   27 o   47.537   23.227  -4.2351   9.4471 -11.2000   19.872  -2.2014   10.738   54.548   27.652   51.046   24.902 3.501434 37.21200 
1 1 1    2   32   28 o   37.462   18.796 -13.0557   7.9386 -22.9400   19.546 -11.1031   8.6875   49.970   25.523   40.474   20.212 9.495636 32.55733 
1 1 1    2   32   29 o   52.774   24.683   3.8255   8.4001   15.410   17.035   0.1037   9.6557   62.269   30.582   50.008   24.215 12.26140 39.00818 
1 1 1    2   32   30 o   45.433   22.476  -4.9474   9.7837   0.0000   0.0000  -4.9474   9.7837  ?   ?    45.433   22.476 0.000000 22.47626 
1 1 1    2   32   31 o   38.692   19.500 -12.9102   9.0533  -3.4280   21.152 -15.0369   10.017   52.225   26.665   39.429   19.948 12.79638 33.30078 
1 1 1    2   32   32 o   49.174   23.806   3.0040   9.3191   6.9960   22.025   2.1335   10.285   53.077   27.109   48.975   23.994 4.101437 36.20240 
1 1 1    2   32   33 o   42.499   21.099  -3.3405   8.9090  -4.0380   19.186  -3.1488   10.059   48.159   24.653   43.867   21.882 4.291977 32.96311 
1 1 1    2   33    0 o  130.623   40.494   36.861   15.121   52.370   22.117   23.250   20.720  137.090   49.099   98.370   42.970 38.71967 65.24632 
1 1 1    2   33    1 o  152.049   35.751   43.679   13.844   73.110   24.591   30.024   16.751  162.833   51.806  112.149   42.288 50.68385 66.87449 
1 1 1    2   33    2 o  106.726   37.086   23.490   12.546   16.370   23.451   26.345   14.849   91.215   42.175  108.483   40.030 -17.26855 58.14708 
1 1 1    2   33    3 o  126.794   41.670   36.508   15.832   37.570   22.260   35.420   22.521  113.626   46.821  110.517   46.436 3.108810 65.94370 
1 1 1    2   33    4 o   81.603   35.895   10.270   14.684   9.5820   22.899   10.750   19.136   85.145   40.116   84.431   38.694 0.7140198 55.73603 
1 1 1    2   33    5 o  207.401   31.042   74.890   16.164   46.590   22.587  104.600   23.142  123.894   48.479  225.313   41.169 -101.4193 63.60110 
1 1 1    2   33    6 o  187.027   36.267   66.990   16.936   54.740   24.915   77.510   23.090  127.973   50.654  173.749   49.119 -45.77584 70.55814 
1 1 1    2   33    7 o  140.816   36.624   39.724   13.485   16.600   18.685   64.860   19.481   88.602   39.641  167.307   44.266 -78.70522 59.42147 
1 1 1    2   33    8 o  186.012   28.325   58.769   13.217   37.861   16.317   98.660   22.539  123.894   42.329  213.400   42.269 -89.50563 59.81952 
1 1 1    2   33    9 o  143.997   33.007   39.014   12.048   34.139   14.897   48.230   20.485  119.744   40.447  127.200   47.000 -7.456734 62.00820 
1 1 1    2   33   10 o   66.506   28.896   5.0769   9.2636  -0.4757   13.766   9.6726   12.524   66.086   31.126   76.721   33.463 -10.63536 45.70092 
1 1 1    2   33   11 o   63.180   28.137   3.2551   9.2978   6.5991   14.569   0.9569   12.077   73.555   33.729   64.614   30.012 8.940826 45.14793 
1 1 1    2   33   12 o   73.660   30.408   9.3451   9.4107   9.3129   13.078   9.3797   13.552   75.189   33.435   75.502   33.772 -0.3126907 47.52266 
1 1 1    2   33   13 o  112.426   32.256   25.296   9.8831   19.401   14.450   30.477   13.547   88.511   37.193  111.348   38.546 -22.83614 53.56419 
1 1 1    2   33   14 o  109.973   35.436   27.160   11.478   30.324   14.803   22.390   18.175  105.574   39.766   88.107   39.281 17.46778 55.89562 
1 1 1    2   33   15 o  100.652   34.765   23.229   11.017   26.786   14.658   18.610   16.702   98.113   38.847   83.723   37.467 14.39005 53.97070 
1 1 1    2   33   16 o   91.661   32.199   18.273   9.4695   12.396   13.727   23.609   13.080   76.277   34.063   94.698   36.937 -18.42082 50.24542 
1 1 1    2   33   17 o  105.185   29.741   21.976   8.4646   16.976   11.261   28.470   12.834   84.119   33.801  104.098   37.388 -19.97856 50.40202 
1 1 1    2   33   18 o   61.782   27.104   5.1392   8.3224  -1.9305   10.692   16.005   13.256   56.089   26.713   79.187   34.486 -23.09737 43.62181 
1 1 1    2   33   19 o   47.918   23.223  -6.2122   8.9295  -2.4985   12.281 -10.3780   13.007   57.360   27.660   52.879   26.114 4.480495 38.03998 
1 1 1    2   33   20 o   61.368   27.138   5.6305   8.5001   2.9252   11.892   8.4565   12.154   60.980   28.785   67.143   30.796 -6.163193 42.15359 
1 1 1    2   33   21 o   64.663   27.143   8.0431   7.6829   3.2894   9.6694   16.183   12.653   58.228   26.978   75.451   33.250 -17.22299 42.81825 
1 1 1    2   33   22 o   56.080   25.708   3.3880   8.4553  -3.7921   11.637   11.416   12.306   52.974   25.861   67.814   31.060 -14.83916 40.41703 
1 1 1    2   33   23 o   68.265   29.581   11.840   9.6557  -5.2500   19.868   17.124   11.048   58.024   29.197   75.260   32.110 -17.23606 43.39978 
1 1 1    2   33   24 o   41.978   21.089 -14.8529   10.150  -9.5030   19.662 -16.7963   11.851   55.111   27.889   44.159   22.262 10.95259 35.68476 
1 1 1    2   33   25 f   52.146   25.247   0.4744   10.490  -2.8320   20.161   1.7019   12.284   56.226   28.429   54.561   26.621 1.665798 38.94661 
1 1 1    2   33   26 o   50.894   23.953   2.4605   8.1259 -11.0800   20.188   5.0784   8.8767   52.551   26.761   54.692   25.512 -2.141201 36.97288 
1 1 1    2   33   27 o   48.987   23.439   1.1855   8.4334   7.4290   19.151  -0.3165   9.3932   56.898   28.635   48.614   23.620 8.283806 37.11977 
1 1 1    2   33   28 o   58.316   27.360   10.120   10.460   0.0000   0.0000   10.120   10.460  ?   ?    58.316   27.360 0.000000 27.36045 
1 1 1    2   33   29 o   61.229   28.947   15.809   12.112   0.0000   0.0000   15.809   12.112  ?   ?    61.229   28.947 0.000000 28.94734 
1 1 1    2   33   30 o   40.082   20.025  -7.2374   8.5719   24.090   21.430 -13.2044   9.3526   56.941   28.849   38.150   19.298 18.79047 34.70805 
1 1 1    2   33   31 o   38.134   19.053  -6.8814   7.7629 -13.7200   21.001  -5.7991   8.3547   46.332   23.826   39.840   19.884 6.491756 31.03282 
1 1 1    2   33   32 o   36.596   18.472  -9.6809   8.3048   19.990   21.883 -14.6736   8.9763   51.037   26.141   35.381   18.001 15.65597 31.73963 
1 1 1    2   34    0 o   78.930   31.642   11.845   9.8435   3.0054   14.194   20.036   13.663   69.006   32.213   91.599   37.081 -22.59307 49.11874 
1 1 1    2   34    1 o   59.604   27.197   1.0134   9.3188   13.377   14.165  -8.4207   12.373   80.989   35.449   56.141   27.238 24.84837 44.70522 
1 1 1    2   34    2 o   98.031   32.711   19.719   9.7421   25.739   13.642   13.455   13.917  102.198   38.237   80.988   35.301 21.21085 52.04039 
1 1 1    2   34    3 o  113.596   31.250   24.892   9.4832   29.934   15.102   21.609   12.185  106.396   40.145   96.614   36.140 9.782158 54.01567 
1 1 1    2   34    4 o   99.811   32.498   20.417   9.6377   16.577   13.431   24.492   13.837   85.338   35.859   98.673   38.129 -13.33527 52.34184 
1 1 1    2   34    5 o  131.303   30.027   31.963   9.9904   13.522   15.569   44.872   13.026   80.184   36.008  149.271   34.396 -69.08719 49.79595 
1 1 1    2   34    6 o  106.539   32.285   23.106   9.6804   19.304   14.624   26.071   12.915   87.757   37.175  103.147   37.442 -15.39014 52.76246 
1 1 1    2   34    7 o  156.098   25.595   41.454   9.9903   38.096   14.874   44.215   13.485  121.445   40.413  143.466   36.268 -22.02108 54.30046 
1 1 1    2   34    8 o   82.906   32.289   14.608   9.9840   32.727   14.865  -0.2834   13.476  109.234   40.091   63.499   30.170 45.73539 50.17448 
1 1 1    2   34    9 o   76.342   29.661   11.338   8.4093   15.160   12.506   8.1836   11.361   81.251   34.396   70.626   31.296 10.62471 46.50264 
1 1 1    2   34   10 o  120.004   31.202   28.697   9.7894   38.185   14.395   20.535   13.352  120.698   39.738   88.601   36.357 32.09665 53.86043 
1 1 1    2   34   11 o  169.300   23.850   48.218   10.169   37.108   15.127   57.380   13.737  113.744   40.619  169.515   32.466 -55.77186 51.99936 
1 1 1    2   34   12 o  181.171   22.315   53.970   10.251   42.827   13.927   67.143   15.142  131.715   38.437  180.451   33.632 -48.73535 51.07365 
1 1 1    2   34   13 o   77.082   32.047   13.393   10.559   19.568   13.680   4.2890   16.609   84.099   35.802   67.577   32.481 16.52197 48.34029 
1 1 1    2   34   14 o  101.821   33.434   24.193   10.193   21.966   13.457   27.190   15.611   87.223   36.213   90.994   38.470 -3.771507 52.83273 
1 1 1    2   34   15 o   42.254   20.723  -8.8280   7.7336   8.8000   10.054 -34.3716   12.103   67.903   29.789   40.018   20.409 27.88537 36.11022 
1 1 1    2   34   16 o   79.281   30.286   14.377   8.6619   27.929   12.216   0.6766   12.283   99.530   36.372   59.204   28.317 40.32581 46.09509 
1 1 1    2   34   17 o   52.035   24.477  -0.4225   8.4643   5.2964   11.223  -7.9651   12.889   62.128   28.882   52.922   26.109 9.206108 38.93402 
1 1 1    2   34   18 o   35.031   17.650 -16.5280   7.3913 -14.5693   9.5297 -19.4854   11.710   42.033   21.018   44.144   22.239 -2.110661 30.59882 
1 1 1    2   34   19 o   57.481   25.978   4.7299   8.2543  -5.1953   10.844   18.403   12.728   50.417   24.687   75.677   33.349 -25.26077 41.49214 
1 1 1    2   34   20 o   59.743   26.967   6.6201   8.8625  -1.0240   12.476   14.406   12.592   54.642   26.697   68.919   31.512 -14.27626 41.30087 
1 1 1    2   34   21 o   42.421   20.917  -7.5212   8.2343 -23.6017   12.364   5.2974   11.039   42.095   21.388   57.827   27.426 -15.73190 34.77955 
1 1 1    2   34   22 o   52.616   25.450   1.1375   10.594   38.920   20.275 -13.0526   12.425   75.539   36.195   45.940   23.113 29.59910 42.94569 
1 1 1    2   34   23 o   50.503   24.219   1.3298   9.1195   2.8775   10.405  -3.7970   18.938   53.036   25.546   53.941   27.306 -0.9052429 37.39248 
1 1 1    2   34   24 o   50.703   24.706   1.1732   10.481 -22.6700   19.844   10.398   12.343   48.314   24.758   58.820   28.200 -10.50558 37.52533 
1 1 1    2   34   25 o   62.546   27.392   11.897   8.4680   28.590   20.720   8.5502   9.2782   62.797   31.337   56.780   26.350 6.017048 40.94269 
1 1 1    2   34   26 o   50.650   23.815   4.4144   7.9967   10.430   22.332   3.5296   8.5646   54.872   27.962   49.909   23.808 4.963459 36.72457 
1 1 1    2   34   27 o   63.538   28.899   16.893   10.415   0.0000   0.0000   16.893   10.415  ?   ?    63.538   28.899 0.000000 28.89915 
1 1 1    2   34   28 o   43.699   21.610  -1.9784   9.0093 -11.9000   17.086   1.8426   10.603   45.624   23.348   47.592   23.517 -1.968357 33.13904 
1 1 1    2   34   29 o   66.408   28.641   18.800   8.9675   20.400   20.729   18.431   9.9463   52.764   26.892   62.498   28.355 -9.733719 39.07930 
1 1 1    2   34   30 o   43.044   21.151   0.8777   8.1790  -1.7210   20.621   1.3629   8.9099   46.088   23.696   43.902   21.669 2.185772 32.10983 
1 1 1    2   35    0 o   77.494   29.794   12.511   8.4162   12.952   11.719   12.042   12.095   75.853   32.728   74.358   32.646 1.494728 46.22649 
1 1 1    2   35    1 o   84.826   30.372   15.369   8.4630   10.203   12.497   19.745   11.502   71.792   32.248   88.322   34.585 -16.52996 47.28710 
1 1 1    2   35    2 o  125.032   28.795   29.863   9.1332   34.829   12.718   24.575   13.124  118.063   37.224   93.850   36.885 24.21304 52.40366 
1 1 1    2   35    3 o   81.976   31.406   15.030   9.3312   19.906   13.009   9.8616   13.392   85.557   35.570   71.292   32.559 14.26495 48.22167 
1 1 1    2   35    4 o   62.376   27.573   5.2732   8.7671   11.991   12.010  -2.3912   12.828   73.856   32.476   58.784   28.327 15.07192 43.09391 
1 1 1    2   35    5 o  104.082   32.698   24.284   9.8222   18.417   14.869   28.826   13.083   80.592   35.753  101.526   37.552 -20.93410 51.84972 
1 1 1    2   35    6 o   47.828   23.410  -8.7038   9.7242   3.1349   14.212 -19.1241   13.334   64.410   30.710   48.892   24.508 15.51734 39.29028 
1 1 1    2   35    7 o   64.762   28.205   6.9643   8.8675  -6.0946   13.499   16.878   11.761   56.417   27.607   80.859   33.736 -24.44205 43.59245 
1 1 1    2   35    8 o   80.028   31.154   14.778   9.2909   3.5704   13.872   23.895   12.512   63.926   30.440   91.742   36.028 -27.81675 47.16573 
1 1 1    2   35    9 o   74.508   30.020   12.265   8.9096   20.957   12.921   4.3860   12.302   84.819   35.372   63.156   29.645 21.66306 46.15179 
1 1 1    2   35   10 o   64.657   28.330   7.4023   9.0685   16.611   12.414  -3.1354   13.279   77.968   33.663   57.324   27.905 20.64391 43.72495 
1 1 1    2   35   11 o   75.245   30.337   13.193   9.1052   0.1881   12.278   29.088   13.573   58.377   28.023   95.599   37.530 -37.22176 46.83834 
1 1 1    2   35   12 o   67.750   29.002   9.7234   9.0661   9.6989   11.332   9.7670   15.111   67.377   30.445   67.599   32.069 -0.2227173 44.21896 
1 1 1    2   35   13 o   67.059   29.319   9.7995   9.6659   11.184   11.925   7.1470   16.505   68.454   31.053   65.038   31.533 3.415955 44.25631 
1 1 1    2   35   14 o   46.929   22.625  -3.8438   8.2073   3.3973   12.321  -9.6200   11.004   59.515   28.436   47.907   23.725 11.60776 37.03349 
1 1 1    2   35   15 o   52.300   24.605   0.8346   8.5571   2.9083   11.685  -1.5641   12.567   57.872   27.663   55.056   26.876 2.816410 38.56875 
1 1 1    2   35   16 o   57.408   25.646   5.4625   7.7897   10.319   10.217  -1.2796   12.038   65.042   29.191   54.002   26.349 11.04040 39.32442 
1 1 1    2   35   17 o   44.953   21.896  -4.5742   8.2117  -4.8263   11.162  -4.2767   12.124   49.712   24.482   51.267   25.298 -1.554749 35.20474 
1 1 1    2   35   18 o   44.595   21.886  -5.4547   8.6731   6.0206   12.125 -17.4769   12.411   57.980   27.837   44.152   22.321 13.82829 35.68140 
1 1 1    2   35   19 o   55.432   25.565   5.6332   8.5368 -10.7065   11.909   22.905   12.244   45.899   23.029   75.484   33.000 -29.58477 40.24105 
1 1 1    2   35   20 o   59.659   28.125   10.321   11.288   5.4680   21.142   12.257   13.351   56.622   28.683   60.531   29.101 -3.909340 40.86049 
1 1 1    2   35   21 o   67.674   30.224   17.632   10.811   17.981   13.005   16.850   19.448   64.406   30.310   59.371   29.736 5.034771 42.46103 
1 1 1    2   35   22 o   47.580   23.080   0.6241   8.8719   2.2252   12.775  -0.8675   12.330   51.272   25.422   49.268   24.519 2.003975 35.31937 
1 1 1    2   35   23 o   38.721   19.414  -9.5413   8.3913 -10.2884   12.640  -8.9525   11.221   44.274   22.400   43.328   21.820 0.9459229 31.27102 
1 1 1    2   35   24 o   50.828   25.233   4.7001   12.738   0.0000   0.0000   4.7001   12.738  ?   ?    50.828   25.233 0.000000 25.23269 
1 1 1    2   35   25 o   53.303   25.928   9.8259   11.405   0.0000   0.0000   9.8259   11.405  ?   ?    53.303   25.928 0.000000 25.92760 
1 1 1    2   35   26 o   55.562   25.838   11.561   8.9953   15.540   19.895   10.539   10.085   51.887   26.437   53.330   25.547 -1.442310 36.76338 
1 1 1    2   35   27 o   64.649   27.928   17.990   8.5538   20.320   18.298   17.339   9.6762   52.113   26.430   59.896   27.474 -7.782745 38.12283 
1 1 1    2   35   28 o   46.705   22.779   5.9201   8.9704  -1.4720   18.682   8.1349   10.226   44.863   23.050   48.155   23.660 -3.292248 33.03157 
1 1 1    2   35   29 o   46.704   23.289   9.2121   11.353   25.620   21.823   3.1243   13.293   47.953   24.645   43.786   22.240 4.166702 33.19593 
1 1 1    2   36    0 o   87.033   30.914   18.203   8.7507  -3.6448   12.171   41.583   12.591   54.421   26.541  126.812   36.414 -72.39120 45.05952 
1 1 1    2   36    1 o   77.075   30.314   14.380   8.8705   27.963   12.276  -0.4623   12.832   96.179   36.216   57.568   27.885 38.61024 45.70729 
1 1 1    2   36    2 o   67.460   28.387   9.7087   8.4363   4.6135   13.379   13.072   10.870   62.059   29.646   71.814   31.252 -9.754887 43.07630 
1 1 1    2   36    3 o   60.374   27.684   5.2432   9.8134   10.790   16.653   2.2923   12.146   67.606   32.502   59.054   28.221 8.552067 43.04406 
1 1 1    2   36    4 o   53.458   24.955   1.1225   8.5191  -3.2003   12.311   5.0943   11.801   54.652   26.662   61.325   28.864 -6.673344 39.29343 
1 1 1    2   36    5 o   51.553   24.439  -0.6747   8.7447  -2.7884   13.519   0.8461   11.467   56.128   27.500   56.787   27.213 -0.6587143 38.68867 
1 1 1    2   36    6 o   53.659   24.929   1.7245   8.3407   16.992   12.692  -9.8811   11.066   74.650   33.078   47.887   23.728 26.76273 40.70879 
1 1 1    2   36    7 o   74.947   29.659   13.772   8.5402   7.9768   12.934   18.251   11.371   63.761   30.074   78.145   32.924 -14.38362 44.59165 
1 1 1    2   36    8 o   82.555   31.532   18.204   9.3890   21.947   13.623   14.817   12.958   78.781   34.616   70.573   32.151 8.208504 47.24392 
1 1 1    2   36    9 o   51.764   24.345   0.7812   8.3655   8.8216   11.887  -7.1085   11.775   63.570   29.609   50.113   24.767 13.45743 38.60186 
1 1 1    2   36   10 f   46.697   22.759  -4.8102   8.9091  -8.9031   10.808   3.8670   15.737   47.139   23.374   59.985   29.447 -12.84633 37.59608 
1 1 1    2   36   11 o   80.640   31.731   18.899   9.7235   23.382   12.387   11.700   15.696   80.914   34.241   64.399   31.108 16.51512 46.26164 
1 1 1    2   36   12 o   60.804   26.903   7.9865   8.3657 -12.4461   11.984   27.409   11.684   46.319   23.220   89.518   34.911 -43.19932 41.92836 
1 1 1    2   36   13 o   63.469   27.255   9.7752   8.0529   9.5644   10.595   10.064   12.392   61.771   28.486   61.871   29.260 -0.1002998 40.83604 
1 1 1    2   36   14 o   46.023   22.308  -2.5473   8.2490   2.0402   12.102  -6.5283   11.274   54.169   26.428   47.622   23.657 6.547459 35.46995 
1 1 1    2   36   15 o   86.786   30.689   21.500   8.6148   19.939   11.993   23.164   12.383   71.084   31.784   74.586   32.880 -3.501274 45.73099 
1 1 1    2   36   16 o   76.694   29.860   18.032   8.5358   7.1168   11.235   32.931   13.127   56.214   26.938   84.589   35.492 -28.37421 44.55749 
1 1 1    2   36   17 o   82.124   32.645   25.283   10.390  -0.7845   19.002   36.399   12.409   52.885   26.833   92.398   35.994 -39.51289 44.89517 
1 1 1    2   36   18 o   56.673   27.800   11.084   13.941  -1.1110   20.446   21.680   19.058   52.131   26.582   59.849   29.895 -7.718239 40.00366 
1 1 1    2   36   19 o   44.014   22.030  -6.1046   10.589 -20.0471   12.590   27.600   19.575   40.632   20.731   60.508   30.235 -19.87641 36.65979 
1 1 1    2   36   20 o   48.604   23.408   3.3782   8.7298  -2.7120   12.588   9.0217   12.117   46.849   23.529   53.576   26.205 -6.727291 35.21767 
1 1 1    2   36   21 o   50.004   23.673   5.5221   8.1510   12.434   11.036  -2.7752   12.091   55.864   26.751   45.797   23.009 10.06654 35.28471 
1 1 1    2   36   22 o   42.106   20.999  -3.8748   9.2448   8.2940   13.700 -14.0495   12.527   50.911   25.418   41.028   20.911 9.882408 32.91361 
1 1 1    2   36   23 o   42.799   21.621  -5.4554   11.514 -11.2800   15.664   1.3920   16.983   43.557   22.295   47.482   24.213 -3.925358 32.91385 
1 1 1    2   36   24 o   53.447   26.485   17.721   13.795   13.360   21.611   20.720   17.922   49.124   25.217   52.020   26.358 -2.896053 36.47802 
1 1 1    2   36   25 o   43.563   21.260   2.5952   7.8478   8.6960   20.694   1.5705   8.4813   46.923   24.118   43.025   21.218 3.898544 32.12297 
1 1 1    2   36   26 o   47.940   22.701   7.8129   7.5041   34.990   19.218   2.9238   8.1512   51.852   26.377   42.920   21.095 8.931976 33.77449 
1 1 1    2   36   27 o   37.516   18.796  -2.7718   7.7977   17.670   18.124  -7.4154   8.6381   45.975   23.566   35.933   18.217 10.04277 29.78574 
1 1 1    2   37    0 o   46.365   22.513  -3.3297   8.4967 -10.1653   12.461   2.6108   11.616   47.908   23.967   55.351   26.743 -7.442371 35.91111 
1 1 1    2   37    1 o   45.194   22.096  -4.8336   8.5902 -25.8102   12.527   13.784   11.802   41.405   21.085   66.587   30.469 -25.18194 37.05299 
1 1 1    2   37    2 o   79.823   30.796   18.252   9.0160   22.236   12.623   14.104   12.882   76.330   33.436   65.985   30.764 10.34513 45.43498 
1 1 1    2   37    3 o   54.284   25.198   3.9742   8.4928   2.4082   12.008   5.5413   12.013   55.226   26.803   57.808   27.742 -2.582272 38.57497 
1 1 1    2   37    4 o   61.458   26.877   8.7784   8.1274   3.1115   12.599   12.817   10.636   55.915   27.210   65.866   29.654 -9.951828 40.24611 
1 1 1    2   37    5 o   51.864   24.372   2.4298   8.3562  -6.6032   11.454   12.709   12.218   48.118   23.894   64.168   29.931 -16.04954 38.29890 
1 1 1    2   37    6 o   91.176   30.727   22.352   8.5971   26.693   11.848   17.525   12.494   84.290   34.379   68.867   31.450 15.42329 46.59398 
1 1 1    2   37    7 o   54.841   25.303   5.1194   8.3761   4.5118   12.468   5.6193   11.308   55.973   27.199   56.505   27.063 -0.5317230 38.36970 
1 1 1    2   37    8 o   39.105   19.464  -9.3702   7.7820  -7.9419   11.261 -10.6759   10.767   46.345   23.123   44.111   22.098 2.233665 31.98450 
1 1 1    2   37    9 o   50.328   24.016   1.7945   8.7294   5.1900   10.301  -6.8550   16.441   54.848   26.149   51.270   25.893 3.578011 36.79956 
1 1 1    2   37   10 o   60.379   27.670   10.498   9.7841   13.549   11.764   3.6520   17.622   62.394   29.191   55.204   27.741 7.189251 40.27000 
1 1 1    2   37   11 o   49.386   23.699   1.7414   8.7628   25.406   12.318 -22.5072   12.469   74.915   32.917   40.777   20.789 34.13857 38.93206 
1 1 1    2   37   12 o   50.750   23.924   3.8647   8.1657   17.227   12.079  -7.3815   11.082   64.004   29.823   44.856   22.463 19.14841 37.33678 
1 1 1    2   37   13 o   58.694   27.264   11.257   9.9696   34.650   17.447  -0.0848   12.148   68.337   32.957   49.351   24.524 18.98544 41.08025 
1 1 1    2   37   14 o   38.047   19.236 -13.6314   9.2234  -9.7580   15.236 -15.8722   11.588   46.548   23.659   40.790   20.723 5.757118 31.45145 
1 1 1    2   37   15 o   66.110   30.607   23.229   12.412   7.0920   18.131   37.460   17.026   52.314   26.508   67.844   32.679 -15.53075 42.07785 
1 1 1    2   37   16 o   53.704   25.774   9.3650   10.373   19.078   12.652 -10.5500   18.117   60.217   28.784   46.581   23.853 13.63589 37.38283 
1 1 1    2   37   17 o   60.776   26.627   13.207   8.0093   11.552   11.197   14.942   11.462   54.243   26.219   56.960   27.272 -2.717224 37.83165 
1 1 1    2   37   18 o   74.368   29.284   20.911   8.2869   32.125   12.596   12.353   11.004   71.082   32.111   54.116   26.118 16.96561 41.39130 
1 1 1    2   37   19 o   48.886   23.466   6.2803   8.6058  -8.7202   13.130   17.576   11.394   42.500   21.637   57.271   27.359 -14.77098 34.88060 
1 1 1    2   37   20 o   47.343   23.224   5.4695   9.7311  -6.7990   17.909   10.610   11.592   44.609   22.903   50.539   24.901 -5.930061 33.83163 
1 1 1    2   37   21 o   36.882   18.766 -12.3291   9.7761 -24.0056   13.114   2.2770   14.667   37.148   19.092   45.461   23.118 -8.313232 29.98180 
1 1 1    2   37   22 o   41.778   20.769   0.3567   8.7475   13.381   12.843 -10.9155   11.947   49.292   24.609   39.069   19.955 10.22307 31.68343 
1 1 1    2   37   23 o   38.797   19.419  -2.4182   8.2279   0.0264   10.707  -5.9433   12.858   41.723   21.050   40.451   20.665 1.272415 29.49803 
1 1 1    2   37   24 o   43.940   21.492   5.8488   8.1530   6.0622   10.397   5.5080   13.139   43.689   21.862   43.255   21.984 0.4340706 31.00385 
1 1 1    2   37   25 o   41.915   21.181   5.2341   11.104 -22.9200   20.574   16.805   13.189   38.341   19.874   46.097   23.270 -7.755859 30.60172 
1 1 1    2   38    0 o   53.192   24.893   6.0639   8.5638   5.8532   11.989   6.2835   12.237   53.395   26.105   53.730   26.291 -0.3351135 37.04977 
1 1 1    2   38    1 o   52.253   24.476   5.3618   8.3127   8.8586   11.796   1.9124   11.716   55.683   26.915   50.561   24.935 5.122372 36.69017 
1 1 1    2   38    2 o   37.752   18.928 -10.3100   7.9761 -16.5456   10.572  -2.0710   12.152   39.472   20.026   48.357   24.110 -8.885620 31.34249 
1 1 1    2   38    3 o  102.452   30.378   29.017   8.6394   17.925   11.672   42.459   12.849   64.279   29.732   97.724   36.992 -33.44530 47.45910 
1 1 1    2   38    4 o   73.915   29.979   19.301   8.9489   6.9359   12.658   31.656   12.653   53.662   26.357   79.060   34.060 -25.39802 43.06694 
1 1 1    2   38    5 o   55.791   25.621   8.5745   8.4483  -6.1937   11.885   23.657   12.011   45.487   22.847   69.614   31.410 -24.12620 38.84080 
1 1 1    2   38    6 o   43.171   21.103  -2.0098   7.8245  -8.7039   11.032   4.7653   11.099   43.126   21.708   51.325   25.098 -8.199276 33.18346 
1 1 1    2   38    7 o   34.618   17.561 -15.7053   8.1109 -15.5900   11.158 -15.8345   11.811   40.058   20.349   40.836   20.764 -0.7777061 29.07278 
1 1 1    2   38    8 o   49.569   24.269   3.6998   10.472  -7.4762   12.815   26.170   18.171   44.887   22.692   59.491   29.632 -14.60445 37.32275 
1 1 1    2   38    9 o   53.606   26.398   10.306   12.975 -14.0200   18.327   34.750   18.371   46.002   23.587   62.550   30.918 -16.54753 38.88781 
1 1 1    2   38   10 o   65.246   29.711   21.273   11.050   9.9390   18.571   27.486   13.749   51.821   26.317   64.950   30.747 -13.12951 40.47225 
1 1 1    2   38   11 o   46.717   23.447   0.0308   12.399   1.5240   16.752  -1.7780   18.438   48.543   24.687   47.958   24.520 0.5844917 34.79442 
1 1 1    2   38   12 o   55.174   26.134   12.339   9.9597   14.179   12.615   9.2920   16.228   54.262   26.582   50.500   25.530 3.761948 36.85609 
1 1 1    2   38   13 o   47.591   22.755   4.8929   7.9173   13.578   11.172  -3.8693   11.222   54.264   26.220   43.189   21.759 11.07544 34.07280 
1 1 1    2   38   14 o   41.260   20.415  -1.6382   8.0832  -6.4026   11.616   2.8345   11.255   41.916   21.237   46.146   23.039 -4.230011 31.33323 
1 1 1    2   38   15 o   45.306   22.129   3.5031   8.5520  -8.2087   12.964   12.526   11.379   41.767   21.286   51.657   25.293 -9.890343 33.05767 
1 1 1    2   38   16 o   53.483   25.472   13.504   9.7218   44.650   17.751   0.1575   11.619   60.199   29.868   43.809   22.080 16.39018 37.14344 
1 1 1    2   38   17 o   55.162   26.202   16.748   10.150   22.260   16.547   13.422   12.852   51.096   25.825   49.625   24.751 1.470776 35.77060 
1 1 1    2   38   18 o   45.227   22.453   5.5775   10.091   3.9480   12.983   8.0640   16.037   44.485   22.528   45.813   23.376 -1.327938 32.46515 
1 1 1    2   38   19 o   56.812   26.581   19.581   9.7564   23.748   12.011   11.500   16.727   55.111   26.761   45.769   23.397 9.341866 35.54662 
1 1 1    2   38   20 o   46.942   22.780   9.3626   8.6665   14.358   12.927   5.2845   11.680   47.046   23.657   43.343   21.882 3.703339 32.22513 
1 1 1    2   38   21 o   42.494   20.977   5.1177   8.3639   3.0877   13.124   6.5062   10.854   41.591   21.215   42.993   21.627 -1.401894 30.29542 
1 1 1    2   38   22 o   37.562   18.934  -1.2538   8.5616  -9.1998   13.133   4.6193   11.291   37.290   19.166   41.026   20.802 -3.735939 28.28544 
1 1 1    2   38   23 o   49.500   23.899   17.880   9.2359   31.343   13.750   6.8139   12.467   49.059   24.632   40.554   20.686 8.505142 32.16592 
1 1 1    2   39    0 o   43.682   21.669  -0.2167   9.3253  -5.7400   14.346   3.8244   12.271   44.162   22.496   47.264   23.665 -3.101852 32.65121 
1 1 1    2   39    1 o   57.450   26.980   15.848   10.213   26.200   16.531   9.4570   12.988   56.169   28.023   50.158   24.995 6.010750 37.55045 
1 1 1    2   39    2 o   42.851   21.690  -5.2557   11.938  -8.1390   16.988  -2.4430   16.779   44.558   22.837   45.923   23.472 -1.365414 32.74864 
1 1 1    2   39    3 o   57.148   27.461   18.747   11.855   2.3090   17.722   32.060   15.948   47.212   24.130   59.641   29.351 -12.42886 37.99642 
1 1 1    2   39    4 o   43.299   21.846  -3.0690   11.539  -3.7700   15.380  -2.1660   17.455   44.848   22.885   45.861   23.479 -1.012959 32.78695 
1 1 1    2   39    5 o   45.879   22.984   2.5476   11.648   10.190   15.592  -7.1040   17.522   49.218   24.899   44.507   22.838 4.710461 33.78608 
1 1 1    2   39    6 o   37.680   19.169 -12.4534   10.161 -25.7744   12.406   14.690   17.710   36.310   18.663   49.894   25.375 -13.58438 31.49893 
1 1 1    2   39    7 o   61.912   29.733   31.784   13.856   31.784   13.856   0.0000   0.0000   61.912   29.733  ?   ?  0.000000 29.73339 
1 1 1    2   39    8 o   39.108   19.778  -7.2109   9.7924   3.3015   12.274 -25.6200   16.242   45.490   22.898   39.377   20.285 6.112297 30.59023 
1 1 1    2   39    9 o   46.348   22.182   5.5055   7.5643   13.322   10.652  -2.4456   10.743   51.716   25.133   41.884   21.125 9.832077 32.83208 
1 1 1    2   39   10 o   56.005   25.694   14.433   8.4680   7.9398   11.421   22.359   12.619   47.074   23.455   55.267   26.969 -8.193043 35.74128 
1 1 1    2   39   11 o   31.410   16.114 -21.3205   8.6841 -12.0942   12.308 -30.4681   12.255   38.797   19.852   34.154   17.595 4.643444 26.52695 
1 1 1    2   39   12 o   61.199   28.185   24.041   10.324   28.160   18.028   22.031   12.594   50.559   25.702   53.621   26.327 -3.062653 36.79254 
1 1 1    2   39   13 o   34.784   17.767 -13.8206   9.4674  -2.7740   15.161 -20.8814   12.121   42.047   21.552   35.701   18.348 6.345173 28.30425 
1 1 1    2   39   14 f   46.323   23.010   9.7254   10.653   10.660   13.647   8.2680   17.042   45.630   23.107   44.353   22.742 1.277462 32.42140 
1 1 1    2   39   15 o   49.754   24.380   15.789   10.635   33.611   13.398 -14.5600   17.484   56.943   27.787   39.483   20.370 17.45967 34.45354 
1 1 1    2   39   16 o   39.416   19.765   0.2575   8.7130   7.4628   13.044  -5.5476   11.708   43.214   21.958   38.511   19.677 4.703163 29.48453 
1 1 1    2   39   17 o   36.117   18.322  -5.2677   8.8322  -2.1323   12.349  -8.5512   12.637   39.260   20.072   37.571   19.286 1.688484 27.83598 
1 1 1    2   39   18 o   49.183   23.816   16.348   9.3415   31.063   12.934   0.3028   13.506   52.049   25.766   39.497   20.251 12.55243 32.77210 
1 1 1    2   39   19 o   40.514   20.165   5.4198   8.3523   6.4877   10.805   3.8344   13.165   40.629   20.573   39.574   20.270 1.055542 28.88165 
1 1 1    2   39   20 o   33.570   17.024  -4.5635   7.5826  -7.7594   9.9509  -0.1383   11.709   34.271   17.560   37.370   19.140 -3.098736 25.97432 
1 1 1    2   39   21 o   37.187   19.168   1.6962   14.882 -21.8200   22.403   20.270   19.910   35.572   18.487   39.498   20.445 -3.925816 27.56352 
1 1 1    2   40    0 o   34.982   17.849 -11.9549   9.3420   0.6610   16.584 -17.8187   11.306   42.507   21.834   35.311   18.133 7.196239 28.38169 
1 1 1    2   40    1 o   38.755   19.639  -4.1960   9.9621   31.540   18.079 -19.7783   11.938   49.816   25.364   35.426   18.206 14.39018 31.22219 
1 1 1    2   40    2 f   48.540   23.760   12.534   10.019 -22.6300   18.083   28.108   12.035   38.801   20.044   57.294   27.566 -18.49238 34.08275 
1 1 1    2   40    3 o   40.146   20.281  -1.1314   10.137   10.020   16.522  -7.8632   12.837   44.525   22.799   39.133   20.042 5.391621 30.35586 
1 1 1    2   40    4 o   35.480   18.012  -8.2825   8.6493  -2.4080   12.248 -14.1267   12.216   40.433   20.613   36.920   18.952 3.513500 28.00186 
1 1 1    2   40    5 o   43.549   21.958   6.2133   11.557   13.850   17.599   0.4232   15.324   44.883   23.020   41.828   21.456 3.054848 31.46876 
1 1 1    2   40    6 o   40.533   20.649  -1.0161   12.099  -4.6090   18.340   1.7530   16.100   41.112   21.196   42.024   21.583 -0.9117775 30.25023 
1 1 1    2   40    7 o   44.903   22.698   11.168   12.804   12.540   18.535   9.9160   17.710   43.922   22.576   43.499   22.355 0.4226456 31.77141 
1 1 1    2   40    8 o   48.871   24.394   20.065   12.595   18.790   16.652   21.770   19.252   45.499   23.266   45.216   23.240 0.2830925 32.88467 
1 1 1    2   40    9 o   35.110   17.934 -10.2035   9.6558 -12.8154   11.490  -3.9240   17.815   35.915   18.433   40.356   20.809 -4.440495 27.79929 
1 1 1    2   40   10 o   47.705   23.567   15.698   10.624   15.326   12.930   16.470   18.638   45.405   22.934   43.539   22.393 1.865372 32.05336 
1 1 1    2   40   11 o   54.491   26.228   26.149   10.922   21.084   13.399   36.180   18.856   46.903   23.649   46.939   24.058 -0.3619003E-01 33.73489 
1 1 1    2   40   12 o   40.107   20.121   3.6737   9.0853   6.1953   12.876   1.1732   12.822   41.066   20.954   39.530   20.229 1.535946 29.12509 
1 1 1    2   40   13 o   49.624   23.761   16.342   8.7028   6.5870   12.540   25.407   12.088   40.672   20.746   49.270   24.480 -8.598450 32.08820 
1 1 1    2   40   14 o   37.765   18.963   1.6252   8.1606   1.7441   10.628   1.4545   12.738   38.361   19.524   38.547   19.758 -0.1863174 27.77668 
1 1 1    2   40   15 o   34.668   17.591  -3.3047   8.1766  -9.8103   11.005   4.7105   12.216   34.352   17.652   38.830   19.861 -4.478069 26.57217 
1 1 1    2   40   16 o   37.322   18.815   2.8426   8.4647  -7.7877   11.841   13.951   12.105   34.771   17.881   41.118   20.918 -6.347446 27.51933 
1 1 1    2   40   17 o   33.271   16.910  -3.3923   7.7749   0.4174   11.596  -6.5039   10.479   36.105   18.530   33.840   17.381 2.265675 25.40560 
1 1 1    2   40   18 o   34.668   17.655   0.1242   8.7958   9.9019   11.775 -12.2203   13.230   37.965   19.425   33.190   17.146 4.774189 25.90944 
1 1 1    2   41    0 o   36.956   18.670  -0.1442   8.5895   13.741   12.491 -12.6007   11.831   42.526   21.596   34.641   17.817 7.885273 27.99691 
1 1 1    2   41    1 o   35.226   17.849  -3.1491   8.2229  -5.4615   12.117  -1.1748   11.196   36.534   18.761   37.457   19.147 -0.9234619 26.80678 
1 1 1    2   41    2 o   39.015   19.543   3.7091   8.4137   14.223   11.669  -7.6774   12.143   43.155   21.797   35.946   18.476 7.208843 28.57393 
1 1 1    2   41    3 o   37.809   19.006   1.8404   8.3123   2.2366   10.949   1.3013   12.771   38.450   19.592   38.369   19.675 0.8097458E-01 27.76610 
1 1 1    2   41    4 o   39.043   19.743   4.1478   9.7423   5.5232   11.597   0.8501   17.957   39.503   20.132   38.567   19.924 0.9361763 28.32455 
1 1 1    2   41    5 o   41.702   21.007   10.456   10.439   14.328   12.744   2.5620   18.198   42.044   21.396   38.649   19.970 3.394451 29.26776 
1 1 1    2   41    6 o   42.576   21.218   11.139   9.3656   0.4711   13.040   22.507   13.460   37.699   19.364   44.124   22.408 -6.424530 29.61581 
1 1 1    2   41    7 o   40.632   20.346   8.1417   9.0816 -12.5315   12.684   29.885   13.008   34.468   17.763   47.284   23.771 -12.81594 29.67445 
1 1 1    2   41    8 o   37.966   19.060   3.7930   8.2191   3.4587   11.213   4.1811   12.082   37.854   19.335   38.085   19.501 -0.2305298 27.46136 
1 1 1    2   41    9 o   31.322   16.009  -8.8650   7.7976  -7.3762   11.433 -10.1598   10.662   34.509   17.737   33.385   17.157 1.124584 24.67762 
1 1 1    2   41   10 o   47.139   22.771   17.355   8.4121   21.193   12.505   14.182   11.369   42.621   21.640   40.862   20.735 1.759277 29.97087 
1 1 1    2   41   11 o   39.672   19.836   8.8142   8.4852   14.624   11.949   2.9036   12.052   40.077   20.425   36.526   18.755 3.551056 27.72975 
1 1 1    2   41   12 f   32.590   16.634  -4.2883   8.1607  -6.8863   11.592  -1.7352   11.491   33.608   17.304   34.793   17.881 -1.184895 24.88307 
1 1 1    2   41   13 f   35.504   17.986   3.2440   8.3147   8.2110   11.993  -1.3537   11.538   36.825   18.895   34.388   17.683 2.437229 25.87880 
1 1 1    2   41   14 o   30.543   15.625  -6.2769   7.5871   3.7030   10.283 -18.1998   11.240   35.063   17.956   30.310   15.662 4.753113 23.82718 
1 1 1    2   41   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   42    0 o   34.025   17.294   0.9375   8.1390   4.1078   10.654  -3.5057   12.613   35.384   18.132   33.770   17.418 1.613602 25.14245 
1 1 1    2   42    1 o   33.386   17.037  -0.8225   8.5346   22.200   11.497 -29.0792   12.737   41.179   20.891   29.757   15.431 11.42108 25.97220 
1 1 1    2   42    2 o   32.279   16.532  -3.9678   8.7372  -2.6956   11.877  -5.4680   12.898   33.714   17.366   33.404   17.244 0.3106842 24.47314 
1 1 1    2   42    3 o   33.774   17.332  -0.5627   10.119   8.3468   12.658 -16.3400   16.844   36.092   18.557   32.815   17.033 3.277687 25.18946 
1 1 1    2   42    4 o   34.877   17.850   3.4589   10.011  -6.0746   12.746   18.810   16.174   33.047   17.063   37.045   19.131 -3.998356 25.63429 
1 1 1    2   42    5 o   31.894   16.348  -4.1112   8.7332  -1.4995   12.448  -6.6426   12.255   33.666   17.361   32.647   16.851 1.018597 24.19459 
1 1 1    2   42    6 o   27.535   14.196 -17.4142   8.2397 -17.1422   11.135 -17.7433   12.250   30.070   15.540   30.592   15.841 -0.5223274 22.19090 
1 1 1    2   42    7 o   30.350   15.563  -6.2215   8.0042 -14.8524   10.452   6.0159   12.446   29.870   15.423   34.692   17.865 -4.822437 23.60170 
1 1 1    2   42    8 o   30.829   15.790  -4.1058   7.9710   6.0113   10.783 -16.2958   11.836   34.527   17.729   30.169   15.620 4.358206 23.62849 
1 1 1    2   42    9 o   33.672   17.196   3.8765   8.8298   18.756   12.363 -11.6159   12.615   36.861   18.930   30.926   16.016 5.934088 24.79675 
1 1 1    2   42   10 o   33.146   16.983   3.6665   9.3079   5.1776   12.953   2.0530   13.384   33.315   17.201   32.789   16.948 0.5262566 24.14817 
1 1 1    3    0    0 o  897.239   14.962  1044.21   34.752  1044.21   34.752  1044.21   34.752  897.239   14.962  897.239   14.962 0.000000 0.000000 
1 1 1    3    0    1 o  126.207   10.236   21.040   3.2955   21.040   3.2955   21.040   3.2955  126.207   10.236  126.207   10.236 0.000000 0.000000 
1 1 1    3    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    4 o   30.666   15.259   1.7920   1.4694   1.7920   1.4694   1.7920   1.4694   30.666   15.259   30.666   15.259 0.000000 0.000000 
1 1 1    3    0    5 o   36.615   17.138   2.5417   1.8173   2.5417   1.8173   2.5417   1.8173   36.615   17.138   36.615   17.138 0.000000 0.000000 
1 1 1    3    0    6 o  495.238   11.670  318.319   14.951  318.319   14.951  318.319   14.951  495.238   11.670  495.238   11.670 0.000000 0.000000 
1 1 1    3    0    7 o  1126.70   17.438  1646.99   50.865  1646.99   50.865  1646.99   50.865  1126.70   17.438  1126.70   17.438 0.000000 0.000000 
1 1 1    3    0    8 o  458.243   11.609  272.616   13.760  272.616   13.760  272.616   13.760  458.243   11.609  458.243   11.609 0.000000 0.000000 
1 1 1    3    0    9 o   69.972   20.690   7.8045   3.2609   7.8045   3.2609   7.8045   3.2609   69.972   20.690   69.972   20.690 0.000000 0.000000 
1 1 1    3    0   10 o   37.593   21.102   2.4460   3.1038   2.4460   3.1038   2.4460   3.1038   37.593   21.102   37.593   21.102 0.000000 0.000000 
1 1 1    3    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   12 o  331.748   16.519  143.800   14.115  143.800   14.115  143.800   14.115  331.748   16.519  331.748   16.519 0.000000 0.000000 
1 1 1    3    0   13 o  284.562   11.906  105.522   8.7411  105.522   8.7411  105.522   8.7411  284.562   11.906  284.562   11.906 0.000000 0.000000 
1 1 1    3    0   14 o  716.098   13.843  666.031   25.656  666.031   25.656  666.031   25.656  716.098   13.843  716.098   13.843 0.000000 0.000000 
1 1 1    3    0   15 o  429.494   12.259  239.949   13.613  239.949   13.613  239.949   13.613  429.494   12.259  429.494   12.259 0.000000 0.000000 
1 1 1    3    0   16 o  365.868   12.298  174.352   11.625  174.352   11.625  174.352   11.625  365.868   12.298  365.868   12.298 0.000000 0.000000 
1 1 1    3    0   17 o  623.213   13.396  504.993   21.603  504.993   21.603  504.993   21.603  623.213   13.396  623.213   13.396 0.000000 0.000000 
1 1 1    3    0   18 o  370.350   12.657  178.560   12.110  178.560   12.110  178.560   12.110  370.350   12.657  370.350   12.657 0.000000 0.000000 
1 1 1    3    0   19 o  249.589   14.253   81.591   9.1462   81.591   9.1462   81.591   9.1462  249.589   14.253  249.589   14.253 0.000000 0.000000 
1 1 1    3    0   20 o  189.302   17.077   47.614   8.2171   47.614   8.2171   47.614   8.2171  189.302   17.077  189.302   17.077 0.000000 0.000000 
1 1 1    3    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   22 o  1110.97   18.026  1602.55   51.844  1602.55   51.844  1602.55   51.844  1110.97   18.026  1110.97   18.026 0.000000 0.000000 
1 1 1    3    0   23 o  909.206   16.282  1073.26   38.319  1073.26   38.319  1073.26   38.319  909.206   16.282  909.206   16.282 0.000000 0.000000 
1 1 1    3    0   24 f  474.620   13.741  292.829   16.861  292.829   16.861  292.829   16.861  474.620   13.741  474.620   13.741 0.000000 0.000000 
1 1 1    3    0   25 o  473.254   13.822  291.214   16.911  291.214   16.911  291.214   16.911  473.254   13.822  473.254   13.822 0.000000 0.000000 
1 1 1    3    0   26 o  156.533   24.682   34.149   9.2637   34.149   9.2637   34.149   9.2637  156.533   24.682  156.533   24.682 0.000000 0.000000 
1 1 1    3    0   27 o  382.160   14.924  190.421   14.722  190.421   14.722  190.421   14.722  382.160   14.924  382.160   14.924 0.000000 0.000000 
1 1 1    3    0   28 o  331.247   16.223  143.552   13.844  143.552   13.844  143.552   13.844  331.247   16.223  331.247   16.223 0.000000 0.000000 
1 1 1    3    0   29 o   93.314   38.878   16.106   9.3862   16.106   9.3862   16.106   9.3862   93.314   38.878   93.314   38.878 0.000000 0.000000 
1 1 1    3    0   30 o  228.962   27.273   71.520   15.569   71.520   15.569   71.520   15.569  228.962   27.273  228.962   27.273 0.000000 0.000000 
1 1 1    3    0   31 o  219.576   21.523   64.804   11.972   64.804   11.972   64.804   11.972  219.576   21.523  219.576   21.523 0.000000 0.000000 
1 1 1    3    0   32 f  461.620   14.712  278.418   17.551  278.418   17.551  278.418   17.551  461.620   14.712  461.620   14.712 0.000000 0.000000 
1 1 1    3    0   33 o   34.016   24.145 -11.6464   9.0071 -11.6464   9.0071 -11.6464   9.0071   34.016   24.145   34.016   24.145 0.000000 0.000000 
1 1 1    3    0   34 o   50.285   32.196   1.0793   9.4393   1.0793   9.4393   1.0793   9.4393   50.285   32.196   50.285   32.196 0.000000 0.000000 
1 1 1    3    0   35 o  294.840   25.758  118.600   19.327  118.600   19.327  118.600   19.327  294.840   25.758  294.840   25.758 0.000000 0.000000 
1 1 1    3    0   36 o  197.542   21.943   53.666   10.874   53.666   10.874   53.666   10.874  197.542   21.943  197.542   21.943 0.000000 0.000000 
1 1 1    3    0   37 o   94.058   39.905   17.494   9.8585   17.494   9.8585   17.494   9.8585   94.058   39.905   94.058   39.905 0.000000 0.000000 
1 1 1    3    0   38 o   47.303   30.868   0.2109   9.2425   0.2109   9.2425   0.2109   9.2425   47.303   30.868   47.303   30.868 0.000000 0.000000 
1 1 1    3    0   39 o  104.817   46.907   23.960   13.561   23.960   13.561   23.960   13.561  104.817   46.907  104.817   46.907 0.000000 0.000000 
1 1 1    3    0   40 o  157.989   29.692   38.125   10.896   38.125   10.896   38.125   10.896  157.989   29.692  157.989   29.692 0.000000 0.000000 
1 1 1    3    0   41 o  289.658   17.332  113.958   12.898  113.958   12.898  113.958   12.898  289.658   17.332  289.658   17.332 0.000000 0.000000 
1 1 1    3    0   42 o   81.705   40.537   15.743   10.359   15.743   10.359   15.743   10.359   81.705   40.537   81.705   40.537 0.000000 0.000000 
1 1 1    3    0   43 o   85.142   41.903   17.779   11.032   17.779   11.032   17.779   11.032   85.142   41.903   85.142   41.903 0.000000 0.000000 
1 1 1    3    0   44 o   58.878   36.321   7.7976   10.852   7.7976   10.852   7.7976   10.852   58.878   36.321   58.878   36.321 0.000000 0.000000 
1 1 1    3    0   45 o   41.877   28.453  -1.2891   9.3396  -1.2891   9.3396  -1.2891   9.3396   41.877   28.453   41.877   28.453 0.000000 0.000000 
1 1 1    3    0   46 o   58.116   36.366   8.9924   11.276   8.9924   11.276   8.9924   11.276   58.116   36.366   58.116   36.366 0.000000 0.000000 
1 1 1    3    0   47 o   45.942   31.493   0.3658   12.001   0.3658   12.001   0.3658   12.001   45.942   31.493   45.942   31.493 0.000000 0.000000 
1 1 1    3    0   48 o   49.086   34.705  -0.6908   17.996  -0.6908   17.996  -0.6908   17.996   49.086   34.705   49.086   34.705 0.000000 0.000000 
1 1 1    3    0   49 o  195.745   26.668   65.212   12.812   65.212   12.812   65.212   12.812  195.745   26.668  195.745   26.668 0.000000 0.000000 
1 1 1    3    1    0 o  1349.13   13.997  2360.12   48.914  2351.08   68.947  2369.29   69.406  1345.76   19.779  1350.95   19.834 -5.190674 28.01025 
1 1 1    3    1    1 o  1326.86   19.549  2285.40   67.190  2259.00   93.985  2313.00   96.093  1317.69   27.536  1333.29   27.824 -15.59302 39.14555 
1 1 1    3    1    2 o  1367.83   14.149  2426.08   50.131  2418.90   70.715  2433.34   71.080  1364.98   20.000  1369.04   20.044 -4.058960 28.31523 
1 1 1    3    1    3 o  894.701   10.570  1037.46   24.498  1018.00   48.236  1044.22   28.438  885.383   21.033  897.510   12.232 -12.12634 24.33108 
1 1 1    3    1    4 o  344.127   10.659  153.483   9.5015   0.0000   0.0000  153.483   9.5015  ?   ?   344.127   10.659 0.000000 10.65918 
1 1 1    3    1    5 o  414.340   7.8389  222.434   8.4132  212.347   11.740  233.082   12.063  404.756   11.198  424.064   10.982 -19.30780 15.68382 
1 1 1    3    1    6 o  167.893   7.5516   36.521   3.2841   35.329   4.6213   37.737   4.6679  164.739   10.891  170.303   10.635 -5.563126 15.22234 
1 1 1    3    1    7 o  432.570   8.0267  242.446   8.9939  241.112   12.704  243.787   12.735  431.286   11.371  433.674   11.336 -2.387268 16.05693 
1 1 1    3    1    8 o  511.964   8.4193  339.630   11.165  334.600   15.689  344.792   15.893  508.036   11.922  515.717   11.897 -7.680298 16.84274 
1 1 1    3    1    9 o  196.022   8.0692   49.788   4.0972   46.428   5.7825   53.176   5.8062  188.868   11.880  202.233   11.127 -13.36563 16.27701 
1 1 1    3    1   10 o  309.864   9.2075  124.436   7.3903  131.700   12.889  120.878   9.0206  318.585   15.618  305.349   11.405 13.23636 19.33891 
1 1 1    3    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   12 o  956.368   12.962  1186.57   32.111  1177.19   39.104  1206.00   56.269  952.186   15.854  962.536   22.568 -10.35010 27.58060 
1 1 1    3    1   13 o  660.585   10.851  565.988   18.567  570.231   22.830  557.700   31.909  662.816   13.297  654.781   18.813 8.035461 23.03822 
1 1 1    3    1   14 o  297.765   8.5346  114.973   6.5827  123.294   9.3821  106.904   9.2383  308.184   11.753  286.931   12.430 21.25262 17.10637 
1 1 1    3    1   15 o  194.696   9.5718   49.200   4.8273   50.645   6.7781   47.713   6.8765  196.886   13.370  190.993   13.997 5.892288 19.35632 
1 1 1    3    1   16 o  108.087   13.891   15.457   3.7992   20.898   5.4616   10.356   5.2884  125.366   17.278   87.237   23.055 38.12836 28.81079 
1 1 1    3    1   17 o  122.808   13.066   19.835   4.0927   25.816   6.0654   14.835   5.5455  139.656   17.126  104.606   21.192 35.04946 27.24682 
1 1 1    3    1   18 o  208.340   10.144   56.322   5.4746   55.113   7.6947   57.561   7.7906  205.381   14.558  209.930   14.414 -4.549835 20.48660 
1 1 1    3    1   19 o  262.301   9.5279   89.214   6.4737   89.667   8.8578   88.695   9.4846  262.833   13.011  260.977   14.082 1.855896 19.17260 
1 1 1    3    1   20 o  271.893   9.5809   95.834   6.7477   98.666   9.6872   93.164   9.4045  275.754   13.562  267.609   13.612 8.144928 19.21490 
1 1 1    3    1   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   22 o  383.804   9.9470  190.948   9.8890  196.453   14.090  185.604   13.882  389.133   13.979  378.228   14.170 10.90588 19.90448 
1 1 1    3    1   23 o  131.314   19.505   22.895   6.4330   26.121   8.8962   19.359   9.3134  139.444   25.572  119.463   30.108 19.98119 39.50196 
1 1 1    3    1   24 o  792.453   10.709  814.273   21.983  814.199   31.146  814.347   31.032  791.954   15.183  792.032   15.126 -0.7891846E-01 21.43135 
1 1 1    3    1   25 o  671.053   10.227  583.914   17.777  596.280   25.428  572.092   24.862  677.717   14.485  663.832   14.459 13.88538 20.46628 
1 1 1    3    1   26 o  887.845   11.355  1022.62   26.115  1017.96   36.876  1027.31   36.988  885.084   16.085  889.142   16.060 -4.057861 22.72958 
1 1 1    3    1   27 f  407.112   10.397  215.000   10.964  226.501   15.535  203.587   15.476  417.558   14.363  395.812   15.094 21.74597 20.83612 
1 1 1    3    1   28 o   99.711   23.336   13.513   5.9205   17.658   9.0288   10.386   7.8419  113.869   30.139   90.306   29.310 23.56219 42.04127 
1 1 1    3    1   29 o  598.834   10.301  465.425   15.979  471.069   22.632  459.815   22.564  601.828   14.518  594.573   14.650 7.254822 20.62523 
1 1 1    3    1   30 o  314.378   15.585  128.749   12.692  138.200   17.638  118.600   18.277  324.267   21.113  299.695   23.737 24.57251 31.76850 
1 1 1    3    1   31 o  156.196   22.184   32.663   8.7232   30.683   10.516   37.030   15.618  149.900   28.117  162.653   37.791 -12.75378 47.10311 
1 1 1    3    1   32 o  307.166   11.614  122.804   9.2409  127.978   13.324  118.008   12.827  312.358   16.526  299.899   16.577 12.45880 23.40753 
1 1 1    3    1   33 o  132.561   20.397   23.691   6.7792   22.622   10.307   24.506   8.9996  126.939   31.498  133.158   27.015 -6.218964 41.49615 
1 1 1    3    1   34 o  141.873   24.542   27.601   8.6926   21.604   10.485   40.780   15.545  123.483   32.382  168.665   36.629 -45.18245 48.89026 
1 1 1    3    1   35 o  250.334   15.438   82.646   9.9618   75.090   12.247   97.420   17.125  237.070   20.135  268.178   24.937 -31.10802 32.05118 
1 1 1    3    1   36 f  126.836   23.608   22.266   7.4708   24.170   14.808   21.615   8.6527  128.591   40.107  123.686   27.696 4.905655 48.74056 
1 1 1    3    1   37 o  227.092   13.753   68.051   8.0518   70.863   11.211   65.056   11.571  229.857   19.000  219.519   20.590 10.33792 28.01708 
1 1 1    3    1   38 o  131.333   21.000   23.772   6.9035   15.760   10.032   30.979   9.5142  104.592   33.070  148.337   25.692 -43.74585 41.87712 
1 1 1    3    1   39 o  140.173   26.912   28.203   9.4163   17.870   13.831   37.130   12.856  110.523   38.907  158.179   32.464 -47.65663 50.67204 
1 1 1    3    1   40 o   88.350   29.979   10.944   8.1842   17.551   9.8112  -4.1700   14.840  107.969   32.454   75.758   34.472 32.21130 47.34578 
1 1 1    3    1   41 o  139.184   20.709   27.062   7.2388   21.899   10.514   31.715   9.9815  119.061   32.965  147.340   27.154 -28.27946 42.70851 
1 1 1    3    1   42 o  230.734   14.290   71.382   8.4990   60.672   11.399   84.791   12.754  208.272   21.435  247.587   20.059 -39.31462 29.35675 
1 1 1    3    1   43 o  148.148   19.452   30.702   7.2844   33.154   10.329   28.276   10.274  148.666   27.847  135.505   30.058 13.16054 40.97458 
1 1 1    3    1   44 o  196.720   16.561   53.158   8.3603   41.195   12.144   63.936   11.527  163.091   29.847  212.081   21.269 -48.98967 36.64931 
1 1 1    3    1   45 o  118.277   28.181   22.024   8.5109   29.309   12.163   15.035   11.913  130.588   35.171   95.678   35.745 34.90936 50.14692 
1 1 1    3    1   46 o   41.005   20.223 -14.0646   7.7094 -10.1104   11.012 -17.8661   10.797   55.455   26.599   48.661   23.986 6.794270 35.81697 
1 1 1    3    1   47 o   41.012   19.853  -8.5224   6.4795  -3.9996   8.8613 -13.7191   9.4986   55.070   25.621   47.294   23.146 7.775532 34.52839 
1 1 1    3    1   48 o   48.664   24.398 -28.0587   13.249 -48.4200   19.482 -10.5400   18.071   53.949   27.351   68.542   33.174 -14.59274 42.99552 
1 1 1    3    1   49 o   83.052   30.958   12.046   8.9263   22.168   12.754   2.3274   12.498  102.883   37.229   69.368   31.592 33.51420 48.82686 
1 1 1    3    2    0 o  340.813   8.7861  150.506   7.7565  144.300   13.447  153.601   9.4952  333.546   15.564  344.261   10.648 -10.71524 18.85796 
1 1 1    3    2    1 o  508.862   8.2255  335.505   10.842  347.817   15.555  323.872   15.120  518.010   11.593  499.859   11.678 18.15161 16.45488 
1 1 1    3    2    2 o  519.127   8.2966  349.180   11.156  350.258   15.806  348.110   15.749  519.819   11.739  518.223   11.732 1.595703 16.59672 
1 1 1    3    2    3 o  377.442   7.7007  184.578   7.5289  191.840   10.778  177.656   10.522  384.728   10.815  370.228   10.972 14.50040 15.40590 
1 1 1    3    2    4 o  1229.30   13.076  1959.27   41.638  1888.00   80.419  1985.37   48.670  1204.89   25.767  1237.23   15.187 -32.34009 29.90928 
1 1 1    3    2    5 o  324.228   7.5891  136.201   6.3737  130.064   8.9347  142.560   9.0949  316.779   10.889  331.654   10.587 -14.87506 15.18690 
1 1 1    3    2    6 o  1109.66   12.181  1596.31   35.012  1576.00   48.970  1617.55   50.078  1102.06   17.154  1116.47   17.316 -14.41284 24.37467 
1 1 1    3    2    7 o  1361.84   14.146  2405.17   49.903  2393.85   70.259  2416.70   70.891  1357.74   19.977  1364.19   20.061 -6.448364 28.31178 
1 1 1    3    2    8 o  688.103   9.3830  613.605   16.724  606.317   23.527  621.050   23.779  683.797   13.283  692.056   13.265 -8.259094 18.77177 
1 1 1    3    2    9 o  367.303   9.2243  174.839   8.7762  162.900   14.888  181.196   10.865  354.312   16.222  373.866   11.219 -19.55399 19.72335 
1 1 1    3    2   10 o  986.519   16.101  1263.04   41.145  1282.00   58.929  1245.00   57.473  992.862   22.914  978.471   22.676 14.39087 32.23705 
1 1 1    3    2   11 o  207.748   17.124   56.420   9.1328   0.0000   0.0000   56.420   9.1328  ?   ?   207.748   17.124 0.000000 17.12403 
1 1 1    3    2   12 o  285.835   9.6585  105.917   7.1512  104.837   8.8128  108.000   12.236  284.300   11.967  287.901   16.476 -3.600922 20.36380 
1 1 1    3    2   13 o  459.992   9.9243  274.393   11.825  276.029   14.543  271.200   20.313  461.214   12.173  456.731   17.170 4.483368 21.04721 
1 1 1    3    2   14 o  689.668   9.6731  617.050   17.281  599.536   24.018  635.844   24.881  679.252   13.651  699.504   13.732 -20.25189 19.36267 
1 1 1    3    2   15 o  201.603   9.4644   52.755   4.9424   53.655   7.0434   51.882   6.9371  202.644   13.496  199.248   13.521 3.396317 19.10363 
1 1 1    3    2   16 o  507.632   8.9167  334.475   11.725  327.611   16.507  341.464   16.657  501.835   12.698  512.361   12.551 -10.52658 17.85404 
1 1 1    3    2   17 o  515.770   8.9995  345.206   12.023  346.559   17.149  343.899   16.861  516.261   12.824  514.303   12.657 1.958069 18.01811 
1 1 1    3    2   18 o  682.088   9.7887  603.579   17.295  600.588   24.424  606.586   24.493  679.819   13.870  683.210   13.840 -3.391602 19.59402 
1 1 1    3    2   19 o  1006.77   11.801  1315.06   30.774  1277.75   42.600  1355.79   44.506  991.536   16.586  1021.32   16.823 -29.78021 23.62468 
1 1 1    3    2   20 o  739.485   11.806  709.219   22.614  693.708   27.381  742.500   40.109  731.102   14.459  755.586   20.493 -24.48450 25.08034 
1 1 1    3    2   21 o  669.482   20.112  582.600   34.878   0.0000   0.0000  582.600   34.878  ?   ?   669.482   20.112 0.000000 20.11216 
1 1 1    3    2   22 o  422.377   13.689  231.438   14.977   0.0000   0.0000  231.438   14.977  ?   ?   422.377   13.689 0.000000 13.68887 
1 1 1    3    2   23 o  518.338   14.208  348.622   19.077   0.0000   0.0000  348.622   19.077  ?   ?   518.338   14.208 0.000000 14.20809 
1 1 1    3    2   24 o  693.729   10.245  623.976   18.411  606.143   25.811  642.445   26.268  683.368   14.582  703.551   14.414 -20.18311 20.50330 
1 1 1    3    2   25 o  305.638   10.906  121.152   8.6344  115.585   12.329  126.511   12.096  297.869   16.038  312.137   14.961 -14.26797 21.93278 
1 1 1    3    2   26 o  618.638   10.250  496.350   16.425  486.302   23.141  506.552   23.318  611.914   14.600  624.546   14.413 -12.63245 20.51576 
1 1 1    3    2   27 o  510.174   10.111  337.613   13.362  335.068   19.317  339.947   18.502  507.820   14.685  511.582   13.962 -3.762268 20.26340 
1 1 1    3    2   28 o  414.121   10.682  222.551   11.458  241.975   16.589  204.830   15.845  431.421   14.845  396.871   15.413 34.54984 21.39967 
1 1 1    3    2   29 o  267.879   12.061   93.213   8.3688  102.809   12.419   85.231   11.327  280.390   17.183  255.193   17.236 25.19785 24.33751 
1 1 1    3    2   30 o  177.285   32.027   42.910   14.166   0.0000   0.0000   42.910   14.166  ?   ?   177.285   32.027 0.000000 32.02744 
1 1 1    3    2   31 o  363.412   12.541  171.853   11.805  175.148   14.853  166.200   19.453  366.402   15.649  355.226   21.239 11.17535 26.38168 
1 1 1    3    2   32 o  336.417   11.529  147.309   10.047  159.791   14.549  135.930   13.891  349.565   16.067  321.865   16.719 27.70038 23.18814 
1 1 1    3    2   33 o  255.583   15.054   85.765   9.9220   88.028   12.599   82.070   16.100  257.924   18.991  246.874   25.547 11.04980 31.83248 
1 1 1    3    2   34 o  152.908   22.554   31.722   8.6648   31.088   10.482   33.090   15.397  149.599   28.082  150.927   39.076 -1.327911 48.12032 
1 1 1    3    2   35 o  182.774   15.578   44.219   7.3048   43.016   10.540   45.332   10.134  177.870   23.447  183.244   21.776 -5.373993 31.99891 
1 1 1    3    2   36 o  380.441   12.647  189.578   12.463  170.400   22.165  198.444   15.071  354.669   24.272  388.359   14.981 -33.68982 28.52321 
1 1 1    3    2   37 o   68.935   28.248   2.9854   8.0463   3.7710   15.738   2.7074   9.3624   90.423   38.446   72.431   30.150 17.99129 48.85791 
1 1 1    3    2   38 o   61.365   24.311   3.1593   5.7441   1.8228   7.7318   4.8055   8.5813   65.014   27.257   74.159   29.609 -9.145195 40.24443 
1 1 1    3    2   39 o  183.366   30.487   48.930   13.972   0.0000   0.0000   48.930   13.972  ?   ?   183.366   30.487 0.000000 30.48734 
1 1 1    3    2   40 o  234.213   15.759   73.588   9.5049   70.470   11.694   79.660   16.317  226.739   20.119  236.040   27.185 -9.300903 33.81977 
1 1 1    3    2   41 o  186.503   16.682   47.148   7.9739   31.618   11.234   62.916   11.320  144.719   30.908  213.171   20.764 -68.45204 37.23471 
1 1 1    3    2   42 o  110.832   25.193   18.060   7.0688   12.128   11.364   21.803   9.0281   93.024   34.880  119.814   29.327 -26.79014 45.57058 
1 1 1    3    2   43 o   49.064   22.678  -4.1286   6.7724 -12.2280   10.547   1.5541   8.8343   53.703   25.830   65.871   28.419 -12.16804 38.40313 
1 1 1    3    2   44 o   73.369   28.156   6.7774   7.5080   3.7473   10.303   10.208   10.963   72.701   31.014   86.195   33.762 -13.49355 45.84431 
1 1 1    3    2   45 o   62.385   26.249   2.7773   7.2125  -6.3415   9.7367   13.865   10.736   56.004   26.315   92.730   34.065 -36.72587 43.04556 
1 1 1    3    2   46 o   76.295   29.410   8.1886   8.2166   26.709   11.995  -8.1859   11.278  121.954   35.694   57.960   27.557 63.99386 45.09354 
1 1 1    3    2   47 o   56.332   25.855  -2.3968   8.5864  -0.7794   12.047  -4.0669   12.242   67.090   30.730   63.826   29.835 3.264423 42.83061 
1 1 1    3    2   48 o  129.223   37.688   32.803   13.394   45.370   21.735   25.110   17.006  130.610   48.383  105.856   41.864 24.75389 63.98070 
1 1 1    3    2   49 o   55.245   25.184  -0.9899   7.9651  -6.5789   10.879   5.4675   11.694   56.327   26.859   72.262   31.899 -15.93545 41.70078 
1 1 1    3    3    0 o  1666.15   16.601  3601.51   71.647  3621.59  101.938  3581.91  100.720  1669.35   23.574  1660.22   23.421 9.133667 33.23062 
1 1 1    3    3    1 o  1091.43   12.026  1544.18   33.999  1546.00   48.129  1542.36   48.034  1091.59   17.022  1090.30   17.008 1.286377 24.06255 
1 1 1    3    3    2 o  646.740   9.0424  542.000   15.148  541.157   21.409  542.845   21.437  646.073   12.793  647.080   12.790 -1.006836 18.08935 
1 1 1    3    3    3 o  164.779   7.8927   35.180   3.3688   37.788   4.8153   32.679   4.7148  170.395   10.968  158.357   11.574 12.03806 15.94558 
1 1 1    3    3    4 o  852.222   10.370  941.285   22.893  931.861   32.158  950.969   32.597  847.659   14.646  856.301   14.696 -8.642395 20.74790 
1 1 1    3    3    5 o  235.869   7.7465   72.083   4.7329   70.780   9.3929   72.526   5.4794  233.067   15.649  236.579   8.9414 -3.511795 18.02358 
1 1 1    3    3    6 o  783.151   9.9148  794.860   20.113  785.789   28.243  804.196   28.650  778.419   14.007  787.480   14.046 -9.061584 19.83609 
1 1 1    3    3    7 o  293.735   7.8263  111.792   5.9547  106.393   8.4006  117.244   8.4421  286.489   11.320  300.756   10.836 -14.26700 15.67074 
1 1 1    3    3    8 f  158.452   9.9199   32.667   4.0510   28.860   6.9361   34.638   4.9907  147.953   18.503  163.023   11.901 -15.07030 21.99963 
1 1 1    3    3    9 o  337.261   9.2522  147.411   8.0828  140.500   13.807  151.014   9.9696  329.042   16.200  341.305   11.277 -12.26254 19.73820 
1 1 1    3    3   10 o  475.610   12.017  293.314   14.805  296.100   21.074  290.600   20.803  477.579   17.036  473.127   16.975 4.452240 24.04879 
1 1 1    3    3   11 o  268.542   11.586   93.514   8.0592   96.740   11.416   90.310   11.379  272.490   16.248  263.193   16.778 9.297394 23.35592 
1 1 1    3    3   12 f  677.190   9.5089  594.522   16.680  601.994   23.771  587.275   23.411  681.094   13.474  672.719   13.435 8.374451 19.02731 
1 1 1    3    3   13 o  336.001   9.7960  146.412   8.5259  143.005   10.475  153.100   14.675  331.948   12.182  343.170   16.509 -11.22266 20.51745 
1 1 1    3    3   14 o  159.324   12.190   33.162   4.9924   33.810   6.2492   32.020   8.3002  160.500   15.213  155.162   21.207 5.337784 26.09913 
1 1 1    3    3   15 o  279.761   8.8622  101.571   6.4221  108.136   9.1856   95.294   8.9824  288.390   12.296  270.681   12.811 17.70981 17.75734 
1 1 1    3    3   16 o  265.073   9.1758   91.212   6.3003   95.084   9.1320   87.695   8.7033  270.324   13.042  259.616   12.942 10.70773 18.37329 
1 1 1    3    3   17 o  130.628   12.897   22.398   4.3070   21.094   6.4594   23.442   5.7791  125.415   20.599  133.005   17.176 -7.589775 26.82019 
1 1 1    3    3   18 o  477.562   9.0207  295.781   11.159  294.357   15.789  297.202   15.773  476.082   12.803  478.385   12.729 -2.302734 18.05401 
1 1 1    3    3   19 o   79.389   21.216   8.4911   4.4463   5.1633   6.4548   11.496   6.1335   71.280   26.374   92.348   25.019 -21.06837 36.35323 
1 1 1    3    3   20 o  627.242   19.280  511.400   31.325   0.0000   0.0000  511.400   31.325  ?   ?   627.242   19.280 0.000000 19.27973 
1 1 1    3    3   21 o  1071.01   17.454  1489.67   48.421  1548.00   70.650  1438.00   66.494  1090.22   25.018  1050.91   24.427 39.31201 34.96527 
1 1 1    3    3   22 o  969.046   11.857  1217.72   29.763  1217.65   42.338  1217.80   41.848  968.398   16.878  968.486   16.681 -0.8789063E-01 23.73078 
1 1 1    3    3   23 o  775.249   10.837  779.260   21.763  761.515   30.421  797.859   31.145  765.948   15.333  784.012   15.336 -18.06421 21.68645 
1 1 1    3    3   24 o  178.509   14.549   41.635   6.6689   42.853   9.7207   40.553   9.1663  180.247   21.227  175.377   20.568 4.869797 29.55730 
1 1 1    3    3   25 o  383.648   10.180  190.860   10.117  180.289   14.302  201.448   14.313  372.618   14.817  393.930   14.027 -21.31116 20.40358 
1 1 1    3    3   26 o  514.413   10.021  343.183   13.352  334.291   18.911  352.023   18.855  507.345   14.390  520.667   13.981 -13.32211 20.06308 
1 1 1    3    3   27 o  435.842   10.269  246.420   11.593  243.005   16.087  250.111   16.722  432.479   14.360  438.722   14.715 -6.242737 20.56057 
1 1 1    3    3   28 o  397.439   10.456  204.974   10.765  210.774   15.835  199.990   14.678  402.593   15.184  392.234   14.447 10.35913 20.95896 
1 1 1    3    3   29 o  345.861   11.318  155.338   10.140  153.520   14.524  157.067   14.163  343.339   16.331  347.351   15.741 -4.011688 22.68203 
1 1 1    3    3   30 o  185.964   31.217   47.030   14.504   0.0000   0.0000   47.030   14.504  ?   ?   185.964   31.217 0.000000 31.21688 
1 1 1    3    3   31 o  185.509   19.389   45.559   9.1790   49.965   11.352   37.240   15.600  193.525   23.103  162.984   37.701 30.54065 44.21641 
1 1 1    3    3   32 o  304.338   14.251  120.896   11.234  125.398   13.867  112.300   19.162  308.893   17.402  289.715   25.805 19.17798 31.12427 
1 1 1    3    3   33 o  348.315   13.283  158.432   11.985  155.759   14.762  163.600   20.526  344.586   16.539  350.506   22.731 -5.919250 28.11072 
1 1 1    3    3   34 o  186.975   16.397   46.287   7.8614   55.621   11.090   36.860   11.145  203.655   21.340  163.436   27.288 40.21909 34.64175 
1 1 1    3    3   35 o  333.312   11.149  145.016   9.6262  138.828   13.597  151.233   13.630  324.735   16.165  339.149   15.515 -14.41483 22.40578 
1 1 1    3    3   36 o  203.848   14.845   54.949   7.7847   43.113   10.882   67.356   11.141  177.266   24.342  224.265   19.368 -46.99973 31.10735 
1 1 1    3    3   37 o  121.915   27.541   21.185   8.4922   37.040   17.383   16.215   9.7328  155.093   42.161  106.382   32.403 48.71132 53.17441 
1 1 1    3    3   38 o   91.423   28.983   11.737   7.7018   50.430   17.675   2.6683   8.5568  181.951   38.693   69.404   28.851 112.5468 48.26540 
1 1 1    3    3   39 o   82.239   34.605   4.2780   12.536   0.0000   0.0000   4.2780   12.536  ?   ?    82.239   34.605 0.000000 34.60484 
1 1 1    3    3   40 o  146.716   20.986   29.946   7.7483   36.395   9.2304   14.560   14.257  161.068   22.758  102.574   38.933 58.49479 45.09634 
1 1 1    3    3   41 o  119.977   23.521   20.671   7.0486   17.838   10.016   23.449   9.9211  107.766   32.881  124.065   30.969 -16.29926 45.16902 
1 1 1    3    3   42 o   67.502   25.816   5.1754   6.2985  -7.4828   9.3531   15.679   8.5200   54.830   25.772  101.365   30.193 -46.53514 39.69637 
1 1 1    3    3   43 o   44.355   21.279  -8.6078   7.0556 -13.6252   10.380  -4.2985   9.6196   51.867   25.113   59.227   27.250 -7.360210 37.05725 
1 1 1    3    3   44 o  198.104   16.859   54.089   8.5690   54.500   12.792   53.754   11.541  190.783   26.608  192.075   23.700 -1.291992 35.63258 
1 1 1    3    3   45 o  162.723   21.859   38.531   8.9807   35.154   12.650   41.962   12.752  144.080   34.376  160.796   31.742 -16.71614 46.78941 
1 1 1    3    3   46 o   93.582   30.052   14.449   8.2601   19.704   11.792   9.3865   11.574  104.360   35.972   82.383   33.833 21.97692 49.38247 
1 1 1    3    3   47 o  184.358   20.966   49.930   9.8341   39.181   11.758   74.960   17.942  153.350   30.671  207.333   34.629 -53.98317 46.25899 
1 1 1    3    3   48 o   69.908   32.226   0.3114   13.541 -11.8100   19.896   10.770   18.481   70.167   34.157   86.388   38.972 -16.22164 51.82203 
1 1 1    3    3   49 o  107.446   30.107   20.577   8.7147   32.983   12.679   9.4694   11.998  128.554   36.419   78.463   33.469 50.09097 49.46202 
1 1 1    3    4    0 o  999.424   11.399  1294.72   29.510  1305.99   42.015  1283.74   41.458  1003.35   16.166  994.775   16.089 8.575928 22.80790 
1 1 1    3    4    1 o  853.341   10.380  943.759   22.944  943.048   32.421  944.472   32.474  852.730   14.678  853.372   14.691 -0.6422729 20.76689 
1 1 1    3    4    2 o  380.136   7.9033  187.228   7.7821  188.155   10.994  186.298   11.017  381.001   11.140  379.114   11.219 1.887085 15.81018 
1 1 1    3    4    3 o  406.262   8.0378  213.851   8.4585  209.698   11.914  218.072   12.011  402.213   11.435  410.168   11.305 -7.955688 16.07990 
1 1 1    3    4    4 o  1544.21   15.635  3093.30   62.538  3059.13   87.484  3129.00   89.432  1534.47   22.010  1551.84   22.248 -17.37146 31.29579 
1 1 1    3    4    5 o  1024.85   11.637  1361.55   30.893  1371.50   43.987  1351.86   43.398  1028.13   16.517  1020.75   16.413 7.378540 23.28543 
1 1 1    3    4    6 o  772.531   9.9325  773.464   19.876  778.300   39.808  771.858   22.940  774.172   19.851  771.642   11.477 2.529541 22.93002 
1 1 1    3    4    7 f  518.497   9.9317  348.426   13.339   0.0000   0.0000  348.426   13.339  ?   ?   518.497   9.9317 0.000000 9.931726 
1 1 1    3    4    8 o  298.195   9.2156  115.237   7.1183  111.700   12.055  117.130   8.8202  292.970   15.945  300.587   11.328 -7.617432 19.55934 
1 1 1    3    4    9 o  537.346   12.384  374.414   17.237  370.900   24.425  377.900   24.330  534.487   17.642  539.524   17.409 -5.037415 24.78534 
1 1 1    3    4   10 o  392.171   9.5698  199.350   9.7214  194.300   16.707  201.935   11.953  386.859   16.672  394.628   11.694 -7.769165 20.36448 
1 1 1    3    4   11 o  828.511   12.002  890.297   25.758  883.172   31.420  904.900   44.983  824.896   14.705  834.089   20.820 -9.192871 25.48946 
1 1 1    3    4   12 o   74.762   16.687   7.5498   3.1497   10.636   4.3852   4.2606   4.5269   88.698   19.608   62.109   22.216 26.58876 29.63152 
1 1 1    3    4   13 o  417.184   8.6308  225.673   9.3268  227.586   13.274  223.809   13.107  418.701   12.239  415.216   12.187 3.484650 17.27192 
1 1 1    3    4   14 o  254.254   10.341   83.922   6.8105   78.023   8.2439   96.600   12.087  244.643   13.056  271.680   17.265 -27.03767 21.64570 
1 1 1    3    4   15 o  377.734   10.076  185.306   9.8584  178.330   11.908  200.500   17.575  370.293   12.415  391.864   17.315 -21.57153 21.30584 
1 1 1    3    4   16 o  373.031   8.8314  180.600   8.5334  185.477   12.155  175.859   11.983  377.648   12.425  367.708   12.581 9.940643 17.68260 
1 1 1    3    4   17 o  555.328   9.2540  400.137   13.312  392.916   18.773  407.440   18.879  549.780   13.182  559.875   13.018 -10.09436 18.52630 
1 1 1    3    4   18 o  377.980   12.755  185.500   12.488   0.0000   0.0000  185.500   12.488  ?   ?   377.980   12.755 0.000000 12.75480 
1 1 1    3    4   19 o  586.091   9.5572  445.349   14.509  455.525   20.837  435.772   20.215  592.437   13.578  579.459   13.468 12.97729 19.12492 
1 1 1    3    4   20 o  475.284   13.507  293.079   16.629  264.200   23.349  322.800   23.687  450.793   19.996  498.435   18.347 -47.64185 27.13768 
1 1 1    3    4   21 o  556.412   13.606  401.635   19.611  400.400   27.569  402.900   27.901  555.104   19.174  556.818   19.344 -1.713989 27.23641 
1 1 1    3    4   22 o  370.995   10.750  178.447   10.331  198.527   15.276  161.523   14.024  391.116   15.078  352.775   15.347 38.34094 21.51436 
1 1 1    3    4   23 o  313.679   11.178  127.590   9.0825  124.166   13.040  130.815   12.658  308.799   16.361  317.447   15.393 -8.648102 22.46397 
1 1 1    3    4   24 o  396.536   10.124  203.876   10.399  205.564   14.871  202.261   14.546  397.948   14.427  394.750   14.226 3.197632 20.26056 
1 1 1    3    4   25 o  384.187   10.044  191.398   9.9955  186.722   13.841  196.495   14.450  379.240   14.090  389.021   14.340 -9.781067 20.10357 
1 1 1    3    4   26 o  772.239   10.816  773.610   21.635  775.826   30.611  771.398   30.582  772.724   15.293  770.510   15.323 2.213379 21.64903 
1 1 1    3    4   27 o  883.182   11.424  1012.31   26.134  996.772   36.922  1027.92   36.996  875.449   16.282  889.070   16.064 -13.62073 22.87289 
1 1 1    3    4   28 o  318.567   11.656  131.764   9.6185  124.630   13.658  138.785   13.548  308.911   17.136  326.585   16.015 -17.67468 23.45471 
1 1 1    3    4   29 o  305.048   11.710  120.875   9.2532  115.965   13.237  125.566   12.940  297.789   17.235  310.084   16.166 -12.29428 23.62988 
1 1 1    3    4   30 o  152.668   26.555   31.579   10.120   0.0000   0.0000   31.579   10.120  ?   ?   152.668   26.555 0.000000 26.55459 
1 1 1    3    4   31 o   68.081   26.508   3.8950   6.7274   13.134   9.3179  -6.1651   9.7231   99.852   31.903   60.625   27.709 39.22676 42.25591 
1 1 1    3    4   32 o  108.732   28.561   16.381   8.1480   13.543   9.9134   22.290   14.305  101.289   32.959  126.913   39.393 -25.62314 51.36196 
1 1 1    3    4   33 o  382.952   10.987  191.049   10.899  193.983   15.631  188.274   15.204  384.720   15.686  379.074   15.484 5.646362 22.04048 
1 1 1    3    4   34 o  200.565   15.224   53.077   7.8504   55.449   10.877   50.498   11.342  203.395   20.945  193.299   23.109 10.09602 31.18879 
1 1 1    3    4   35 o   64.266   24.724   3.8984   5.7982   2.8103   9.0462   4.6572   7.5540   72.226   29.814   71.852   28.058 0.3739319 40.94057 
1 1 1    3    4   36 o  109.733   24.439   16.870   6.7684   14.472   9.2689   19.610   9.9070  101.647   31.736  116.721   31.871 -15.07346 44.97683 
1 1 1    3    4   37 o  529.021   10.439  365.862   14.304  375.311   20.847  357.453   19.664  533.115   15.096  520.612   14.582 12.50311 20.98862 
1 1 1    3    4   38 o   74.833   28.996   5.7603   8.0194   29.530   16.879  -1.1694   9.1137  136.902   42.840   64.067   28.227 72.83430 51.30345 
1 1 1    3    4   39 o   93.670   37.765   9.3240   14.109   0.0000   0.0000   9.3240   14.109  ?   ?    93.670   37.765 0.000000 37.76501 
1 1 1    3    4   40 o  217.771   14.861   63.479   8.3329   84.927   12.481   46.228   11.193  249.249   19.486  180.617   24.562 68.63240 31.35255 
1 1 1    3    4   41 o   74.822   26.914   7.2896   6.6526   29.508   10.349  -8.3595   8.6850  140.372   29.403   51.609   24.433 88.76332 38.22969 
1 1 1    3    4   42 o   67.993   27.113   4.5486   7.1878  -2.6760   10.302   11.401   10.033   63.953   28.952   89.770   32.938 -25.81623 43.85340 
1 1 1    3    4   43 o   46.400   21.440  -3.7601   6.0457   1.2842   7.8356 -11.1806   9.5035   62.210   26.802   51.032   24.538 11.17886 36.33851 
1 1 1    3    4   44 o  122.622   24.431   22.427   7.4874   32.299   9.9097   9.2941   11.430  145.562   27.285   84.516   34.020 61.04601 43.60972 
1 1 1    3    4   45 o  236.348   15.337   76.648   9.3386   80.826   13.552   72.871   12.887  235.378   22.501  223.336   22.586 12.04131 31.88169 
1 1 1    3    4   46 o   85.579   30.332   11.782   8.4201   17.248   12.011   6.4995   11.807   98.208   36.038   77.479   33.130 20.72868 48.95224 
1 1 1    3    4   47 o   56.502   26.480  -4.8100   9.7520   7.2592   12.268 -25.5300   16.074   78.120   33.596   56.744   28.199 21.37605 43.86233 
1 1 1    3    4   48 o   41.806   20.742 -16.2012   8.5588 -31.3195   12.115  -1.1360   12.093   44.102   22.267   65.483   30.280 -21.38102 37.58612 
1 1 1    3    4   49 o   79.819   30.524   10.973   8.8050  -4.2432   12.040   28.468   12.910   60.892   28.810  115.906   37.607 -55.01334 47.37420 
1 1 1    3    5    0 o  988.413   11.359  1266.38   29.083  1270.51   41.216  1262.28   41.042  989.607   16.079  986.399   16.063 3.208252 22.72778 
1 1 1    3    5    1 o  1367.06   14.211  2423.63   50.322  2414.75   70.907  2432.64   71.428  1363.66   20.074  1368.69   20.147 -5.027344 28.44052 
1 1 1    3    5    2 o  655.741   9.2171  557.219   15.656  554.238   22.060  560.245   22.222  653.803   13.026  657.334   13.051 -3.531860 18.43936 
1 1 1    3    5    3 o  559.462   8.7318  405.583   12.654  404.170   17.860  407.008   17.931  558.345   12.349  560.302   12.355 -1.956665 17.46793 
1 1 1    3    5    4 o  458.996   8.3709  272.988   9.9525  283.089   14.285  263.459   13.874  467.303   11.801  450.807   11.881 16.49603 16.74615 
1 1 1    3    5    5 o  1266.42   13.466  2079.75   44.174  2063.05   62.032  2096.92   62.922  1260.55   18.998  1270.84   19.114 -10.28564 26.94954 
1 1 1    3    5    6 o  1242.15   15.378  2001.66   49.478  2004.00   86.027  2000.50   60.483  1240.79   26.766  1241.28   18.811 -0.4918213 32.71545 
1 1 1    3    5    7 o  381.586   9.5234  188.710   9.4132   0.0000   0.0000  188.710   9.4132  ?   ?   381.586   9.5234 0.000000 9.523438 
1 1 1    3    5    8 o  337.750   11.831  147.906   10.351  146.700   15.005  149.000   14.297  335.719   17.314  338.833   16.290 -3.113953 23.77254 
1 1 1    3    5    9 o  599.481   9.0696  465.770   14.084  450.006   19.619  482.530   20.229  589.042   12.858  609.961   12.804 -20.91864 18.14576 
1 1 1    3    5   10 o  298.500   11.692  115.549   9.0401  116.300   12.792  114.800   12.777  298.816   16.592  296.868   16.684 1.948608 23.52927 
1 1 1    3    5   11 o  329.537   8.4703  140.757   7.2302  144.636   10.356  137.067   10.099  333.916   11.973  325.060   11.994 8.855560 16.94728 
1 1 1    3    5   12 f  169.100   10.215   37.222   4.4533   41.151   6.5448   33.835   6.0769  177.424   14.364  160.720   14.762 16.70470 20.59724 
1 1 1    3    5   13 o  379.492   8.6381  186.778   8.4912  189.122   12.118  184.517   11.902  381.599   12.259  376.931   12.190 4.668457 17.28841 
1 1 1    3    5   14 o  492.058   8.9398  314.209   11.394  319.431   16.181  309.071   16.049  495.644   12.603  487.524   12.708 8.119843 17.89801 
1 1 1    3    5   15 o  197.333   12.234   50.838   6.2228   50.598   7.6419   51.310   10.721  196.452   15.134  196.665   21.390 -0.2132874 26.20259 
1 1 1    3    5   16 o  346.624   10.487  156.046   9.4159  165.413   11.627  138.200   16.049  356.656   12.586  324.590   19.173 32.06607 22.93513 
1 1 1    3    5   17 o  474.605   9.0713  292.186   11.152  293.882   15.781  290.494   15.762  475.613   12.809  472.857   12.868 2.756348 18.15692 
1 1 1    3    5   18 o  124.120   13.956   20.257   4.4092   17.812   6.1370   22.867   6.3391  115.094   21.372  131.170   19.228 -16.07560 28.74844 
1 1 1    3    5   19 o  1178.79   15.086  1804.07   46.063  1786.49   55.967  1841.00   81.101  1172.33   18.430  1187.83   26.358 -15.49963 32.16277 
1 1 1    3    5   20 o  437.944   13.028  248.799   14.779   0.0000   0.0000  248.799   14.779  ?   ?   437.944   13.028 0.000000 13.02788 
1 1 1    3    5   21 o  443.812   11.224  255.394   12.903  251.753   15.946  262.300   21.960  440.500   13.975  449.309   18.868 -8.808685 23.48024 
1 1 1    3    5   22 o  861.305   11.261  961.924   25.125  953.990   35.584  969.811   35.480  857.233   16.025  864.334   15.847 -7.101196 22.53743 
1 1 1    3    5   23 o  305.373   16.077  121.424   12.672  121.424   12.672   0.0000   0.0000  305.373   16.077  ?   ?  0.000000 16.07721 
1 1 1    3    5   24 o   71.320   24.012   6.1869   5.2500   8.8360   7.6248   3.7988   7.2394   85.376   28.937   70.092   27.440 15.28410 39.87858 
1 1 1    3    5   25 o   70.604   25.483   5.4216   5.9701   4.7068   8.4880   6.1215   8.3987   76.403   29.768   79.641   29.962 -3.237885 42.23514 
1 1 1    3    5   26 o  799.099   10.978  828.461   22.724  819.499   32.019  837.556   32.256  794.072   15.567  802.783   15.512 -8.710693 21.97591 
1 1 1    3    5   27 o  544.344   10.287  384.436   14.504  390.329   20.504  378.534   20.521  548.037   14.443  539.663   14.680 8.374512 20.59397 
1 1 1    3    5   28 o  313.518   16.872  128.361   13.652  128.361   13.652   0.0000   0.0000  313.518   16.872  ?   ?  0.000000 16.87226 
1 1 1    3    5   29 o  284.362   14.213  105.207   10.469  108.218   13.116   99.920   17.378  287.512   17.697  274.812   24.676 12.69986 30.36600 
1 1 1    3    5   30 o  427.817   21.307  240.000   23.612   0.0000   0.0000  240.000   23.612  ?   ?   427.817   21.307 0.000000 21.30695 
1 1 1    3    5   31 o   80.671   28.111   7.8139   7.2108   5.1320   8.3047   16.030   14.536   76.175   29.510  113.634   39.894 -37.45877 49.62193 
1 1 1    3    5   32 o  338.830   13.018  149.748   11.426  162.363   14.170  126.300   19.318  352.288   15.528  307.547   24.451 44.74115 28.96485 
1 1 1    3    5   33 f  434.858   15.422  247.862   17.371  247.862   17.371   0.0000   0.0000  434.858   15.422  ?   ?  0.000000 15.42171 
1 1 1    3    5   34 o  433.493   10.782  245.046   12.107  241.091   17.152  248.973   17.092  428.447   15.455  435.512   15.151 -7.065002 21.64301 
1 1 1    3    5   35 o  222.521   13.369   65.121   7.6699   64.090   11.728   65.892   10.138  218.340   20.996  222.566   17.733 -4.226654 27.48273 
1 1 1    3    5   36 o  521.077   10.603  354.698   14.312  361.421   20.508  348.316   19.982  523.681   15.118  514.166   15.003 9.514465 21.29941 
1 1 1    3    5   37 o  220.961   13.619   64.510   7.7569   58.001   11.374   70.171   10.606  206.393   21.594  228.821   18.041 -22.42789 28.13829 
1 1 1    3    5   38 o   81.063   27.495   8.7998   6.8842   4.8086   9.6840   12.877   9.7882   76.757   31.167   96.105   32.785 -19.34805 45.23531 
1 1 1    3    5   39 o   64.334   28.190  -0.4310   8.9792   0.0000   0.0000  -0.4310   8.9792  ?   ?    64.334   28.190 0.000000 28.18956 
1 1 1    3    5   40 o   45.881   21.642  -6.5024   6.7013  -1.5390   9.7622 -10.9254   9.2156   64.669   28.813   51.027   24.438 13.64185 37.78086 
1 1 1    3    5   41 o   94.393   27.737   13.231   7.2302   6.7174   10.382   19.364   10.075   80.421   32.405  111.707   32.718 -31.28595 46.04972 
1 1 1    3    5   42 o  167.956   19.033   39.134   8.1343   43.746   12.042   35.263   11.032  171.476   28.083  153.062   28.883 18.41357 40.28502 
1 1 1    3    5   43 o  194.640   17.417   52.199   8.6883   50.211   12.446   54.088   12.134  183.593   26.975  192.393   24.935 -8.799759 36.73443 
1 1 1    3    5   44 o  104.150   28.410   17.071   7.8768   34.590   11.651   2.3245   10.690  146.712   31.593   70.705   30.875 76.00658 44.17451 
1 1 1    3    5   45 o   65.787   27.767   3.4481   8.1121   7.4723   11.172  -1.0396   11.798   79.171   32.944   67.537   30.734 11.63416 45.05378 
1 1 1    3    5   46 o   78.066   29.088   9.1787   7.8791   10.803   10.896   7.3986   11.407   84.009   33.420   78.161   32.955 5.847633 46.93559 
1 1 1    3    5   47 o   54.689   26.565 -12.6930   11.863  -6.4590   17.530 -17.9600   16.113   71.040   33.936   60.798   29.836 10.24181 45.18656 
1 1 1    3    5   48 o   40.348   20.253 -22.0912   9.2647 -30.2554   10.986  -1.9920   17.238   41.428   20.951   72.629   34.396 -31.20065 40.27411 
1 1 1    3    5   49 o   92.610   29.572   15.457   8.0069   21.598   11.141   8.8958   11.516  103.027   34.977   76.452   32.705 26.57445 47.88544 
1 1 1    3    6    0 o  392.315   8.1905  199.429   8.3233  196.456   11.712  202.461   11.830  389.291   11.615  395.198   11.557 -5.906799 16.38488 
1 1 1    3    6    1 o  231.600   11.574   69.533   6.9433   69.533   6.9433   0.0000   0.0000  231.600   11.574  ?   ?  0.000000 11.57378 
1 1 1    3    6    2 o  1051.49   11.851  1433.35   32.280  1440.67   45.828  1426.14   45.475  1053.67   16.791  1048.35   16.746 5.319336 23.71439 
1 1 1    3    6    3 o  688.955   9.4848  615.136   16.927  616.795   23.980  613.488   23.895  689.669   13.424  687.818   13.412 1.850281 18.97543 
1 1 1    3    6    4 o  1123.85   12.411  1637.59   36.130  1624.79   50.771  1650.72   51.426  1118.85   17.518  1127.73   17.605 -8.882080 24.83576 
1 1 1    3    6    5 o  406.145   9.7752  213.787   10.284  221.400   18.156  210.191   12.479  413.027   16.971  402.646   11.964 10.38171 20.76408 
1 1 1    3    6    6 o  435.208   12.081  245.576   13.619   0.0000   0.0000  245.576   13.619  ?   ?   435.208   12.081 0.000000 12.08066 
1 1 1    3    6    7 o  506.671   12.371  332.886   16.236  342.000   23.311  324.300   22.626  513.249   17.534  499.795   17.477 13.45395 24.75660 
1 1 1    3    6    8 o  551.187   8.9379  393.741   12.761  392.100   25.490  394.290   14.741  549.479   17.909  551.510   10.319 -2.030151 20.66885 
1 1 1    3    6    9 o  498.068   10.267  321.605   13.245   0.0000   0.0000  321.605   13.245  ?   ?   498.068   10.267 0.000000 10.26664 
1 1 1    3    6   10 o  218.089   10.242   61.670   5.7861   64.912   7.2270   55.880   9.6571  223.336   12.543  206.555   18.237 16.78076 22.13381 
1 1 1    3    6   11 o  492.531   8.7722  314.494   11.192  319.761   15.986  309.431   15.673  496.394   12.433  488.313   12.391 8.080780 17.55313 
1 1 1    3    6   12 o  271.530   8.8746   95.614   6.2419  100.988   8.9845   90.600   8.6782  278.883   12.437  264.137   12.684 14.74628 17.76411 
1 1 1    3    6   13 o  810.444   10.430  852.756   21.896  837.590   30.624  868.617   31.317  802.232   14.737  816.939   14.799 -14.70679 20.88556 
1 1 1    3    6   14 o  523.473   9.0583  355.704   12.283  350.918   17.314  360.553   17.427  519.342   12.871  526.441   12.780 -7.098267 18.13757 
1 1 1    3    6   15 o  307.956   9.0986  123.112   7.2580  132.070   10.382  114.550   10.150  318.629   12.579  296.676   13.208 21.95358 18.24004 
1 1 1    3    6   16 o  417.348   10.545  226.160   11.400  226.485   13.927  225.500   19.847  417.388   12.881  415.658   18.433 1.729340 22.48782 
1 1 1    3    6   17 o  771.379   11.984  772.527   23.946  772.184   29.417  773.200   41.226  770.729   14.735  769.868   20.673 0.8610840 25.38670 
1 1 1    3    6   18 o  132.758   15.207   23.190   5.1352   23.400   7.5473   23.009   7.0073  132.124   22.881  131.256   21.344 0.8684845 31.29045 
1 1 1    3    6   19 o  649.235   14.136  547.019   23.772  537.500   33.565  556.600   33.673  642.890   20.156  654.250   19.870 -11.36066 28.30326 
1 1 1    3    6   20 o  826.016   15.230  885.582   32.587  892.400   46.318  878.900   45.855  828.294   21.588  822.013   21.536 6.280396 30.49311 
1 1 1    3    6   21 o  511.137   13.806  338.960   18.279   0.0000   0.0000  338.960   18.279  ?   ?   511.137   13.806 0.000000 13.80622 
1 1 1    3    6   22 f  554.629   10.239  398.805   14.710  394.541   20.957  402.946   20.654  551.366   14.674  557.236   14.309 -5.870117 20.49552 
1 1 1    3    6   23 o  185.289   14.597   44.840   6.9494   46.935   9.9600   42.853   9.7009  188.822   20.703  180.253   21.181 8.569443 29.61818 
1 1 1    3    6   24 o  477.452   14.202  295.945   17.564   0.0000   0.0000  295.945   17.564  ?   ?   477.452   14.202 0.000000 14.20185 
1 1 1    3    6   25 o   93.328   26.297   11.689   6.6294   17.113   9.0753   5.4830   9.7073  112.400   30.426   81.842   31.849 30.55854 44.04638 
1 1 1    3    6   26 o  387.061   15.243  194.716   15.283   0.0000   0.0000  194.716   15.283  ?   ?   387.061   15.243 0.000000 15.24315 
1 1 1    3    6   27 o  247.766   12.912   79.952   8.2584   68.330   11.943   90.599   11.432  227.972   20.442  263.307   16.849 -35.33554 26.49135 
1 1 1    3    6   28 o  188.341   14.885   46.431   7.2024   36.722   9.7413   58.139   10.697  165.911   23.310  210.119   19.891 -44.20773 30.64296 
1 1 1    3    6   29 o  284.934   18.435  106.440   13.533  107.400   20.518  105.700   18.005  283.929   28.274  282.547   24.854 1.382416 37.64536 
1 1 1    3    6   30 o  254.444   18.035   85.058   11.810   85.950   15.771   83.920   17.819  254.347   24.231  250.263   27.966 4.083801 37.00319 
1 1 1    3    6   31 o  154.737   22.363   32.186   8.7034   38.743   10.543   18.160   15.420  169.423   24.755  119.039   41.129 50.38339 48.00443 
1 1 1    3    6   32 o   70.867   25.989   5.4831   6.2450   14.356   8.2633  -6.3346   9.5365  102.100   29.553   59.380   27.251 42.71964 40.19958 
1 1 1    3    6   33 o  143.758   19.444   27.767   7.0546   24.460   10.362   30.624   9.6315  131.648   30.914  149.215   25.856 -17.56680 40.30107 
1 1 1    3    6   34 o  446.815   10.691  260.381   12.373  271.686   17.714  249.610   17.291  454.866   15.034  435.882   15.314 18.98386 21.46043 
1 1 1    3    6   35 o  288.530   12.021  108.907   8.9839  112.567   13.091  105.649   12.351  291.255   17.433  282.311   16.969 8.944122 24.32780 
1 1 1    3    6   36 o  106.810   25.135   16.097   6.8382   9.6513   9.7590   22.315   9.5847   88.921   32.506  124.527   30.057 -35.60548 44.27304 
1 1 1    3    6   37 o  391.529   10.901  200.737   11.056  199.163   15.734  202.272   15.538  387.738   15.666  390.929   15.345 -3.191284 21.92890 
1 1 1    3    6   38 f  102.754   37.804   14.400   13.229   0.0000   0.0000   14.400   13.229  ?   ?   102.754   37.804 0.000000 37.80351 
1 1 1    3    6   39 o  180.178   34.905   49.440   15.702   0.0000   0.0000   49.440   15.702  ?   ?   180.178   34.905 0.000000 34.90491 
1 1 1    3    6   40 o  122.615   27.323   22.182   8.4561   11.490   15.931   26.376   9.9778   98.154   39.930  132.594   29.779 -34.43993 49.81131 
1 1 1    3    6   41 o  281.932   12.842  105.571   9.3782  108.763   13.290  102.405   13.236  282.086   18.286  273.269   18.814 8.817413 26.23643 
1 1 1    3    6   42 o   60.861   25.681   1.9164   6.9353   4.6480   9.7058  -0.9335   9.9135   74.033   30.747   65.017   28.997 9.015572 42.26376 
1 1 1    3    6   43 o   51.421   23.360  -2.4939   6.7789  -5.7150   9.7325   0.5414   9.4475   57.459   26.772   65.348   28.768 -7.888905 39.29807 
1 1 1    3    6   44 o   84.571   29.247   10.926   7.7984   23.700   11.135  -1.3715   10.926  118.028   34.347   65.673   29.765 52.35524 45.44913 
1 1 1    3    6   45 o   57.250   25.391  -0.0394   7.4950  -1.5586   11.118   1.2262   10.148   65.035   29.688   66.573   29.535 -1.538132 41.87646 
1 1 1    3    6   46 o   88.898   30.648   13.177   8.5601   18.909   11.840   6.8981   12.391  101.227   35.958   78.262   33.711 22.96465 49.28893 
1 1 1    3    6   47 o  127.641   37.733   31.904   13.345   35.730   21.484   29.500   17.029  117.133   46.820  113.968   42.705 3.164680 63.37056 
1 1 1    3    6   48 o  142.452   30.137   34.908   10.773   24.307   13.097   57.090   18.946  107.521   37.859  158.679   44.366 -51.15804 58.32367 
1 1 1    3    6   49 o   47.908   23.013  -7.2360   8.3093   8.6658   11.608 -23.9480   11.900   75.624   32.601   46.181   23.149 29.44356 39.98422 
1 1 1    3    7    0 o  310.767   8.3456  125.143   6.7180  123.832   9.4621  126.475   9.5398  309.058   11.819  312.339   11.791 -3.280792 16.69532 
1 1 1    3    7    1 o  119.219   11.141   18.585   3.4005   17.787   4.7719   19.408   4.8470  115.946   16.342  121.289   15.803 -5.343033 22.73318 
1 1 1    3    7    2 o  382.665   8.3776  189.748   8.3040  184.758   11.676  194.856   11.812  377.500   11.941  387.686   11.763 -10.18524 16.76137 
1 1 1    3    7    3 o  601.079   10.530  468.313   16.395  450.900   27.799  477.600   20.302  589.321   18.210  606.885   12.914 -17.56390 22.32491 
1 1 1    3    7    4 o  630.085   18.476  515.500   30.155   0.0000   0.0000  515.500   30.155  ?   ?   630.085   18.476 0.000000 18.47579 
1 1 1    3    7    5 o  496.713   17.434  320.300   22.431   0.0000   0.0000  320.300   22.431  ?   ?   496.713   17.434 0.000000 17.43377 
1 1 1    3    7    6 o  272.678   12.731   96.426   8.9918   96.426   8.9918   0.0000   0.0000  272.678   12.731  ?   ?  0.000000 12.73052 
1 1 1    3    7    7 f  209.697   9.8858   57.000   5.3698   62.065   7.9008   52.652   7.3204  218.271   14.049  200.955   14.154 17.31587 19.94223 
1 1 1    3    7    8 o  759.077   14.473  747.741   28.457  781.200   41.447  717.900   39.141  775.083   20.644  743.062   20.336 32.02130 28.97771 
1 1 1    3    7    9 o  1023.44   13.642  1359.28   36.166  1343.00   61.932  1367.70   44.551  1015.31   23.549  1026.09   16.762 -10.77966 28.90500 
1 1 1    3    7   10 f  263.675   9.2912   90.141   6.3458   78.700   12.771   93.892   7.3124  245.051   20.303  269.065   10.492 -24.01498 22.85353 
1 1 1    3    7   11 o  298.958   10.329  115.948   7.9990  106.600   14.310  120.196   9.6470  285.398   19.473  304.284   12.239 -18.88589 22.99989 
1 1 1    3    7   12 o  486.366   8.9331  306.882   11.254  299.680   15.859  314.189   15.973  480.210   12.750  491.724   12.541 -11.51382 17.88353 
1 1 1    3    7   13 o  363.661   8.8667  171.641   8.3523  163.464   11.713  180.101   11.914  354.497   12.756  372.148   12.359 -17.65137 17.76082 
1 1 1    3    7   14 o  341.651   8.9142  151.525   7.8889  149.820   11.104  153.262   11.210  339.333   12.633  343.211   12.609 -3.878174 17.84896 
1 1 1    3    7   15 o  469.257   9.0407  285.800   10.989  289.459   15.692  282.280   15.394  471.742   12.842  465.869   12.756 5.873352 18.10095 
1 1 1    3    7   16 o  319.212   9.3361  132.196   7.7196  135.767   10.898  128.600   10.936  323.236   13.016  314.555   13.422 8.680481 18.69684 
1 1 1    3    7   17 o  538.405   10.995  376.099   15.333  369.457   18.684  389.800   26.835  533.389   13.523  547.180   18.933 -13.79083 23.26660 
1 1 1    3    7   18 o  647.746   11.486  544.223   19.271  540.499   23.641  551.600   33.270  645.278   14.144  651.176   19.725 -5.898621 24.27161 
1 1 1    3    7   19 o  353.139   11.662  161.730   10.667  163.900   19.912  160.856   12.633  354.253   21.805  352.089   13.852 2.164276 25.83310 
1 1 1    3    7   20 o  616.974   13.942  493.898   22.281  473.500   31.103  515.400   31.934  603.536   19.895  629.710   19.578 -26.17395 27.91250 
1 1 1    3    7   21 o  397.507   11.004  204.880   11.330  198.708   16.412  210.501   15.661  391.215   16.196  402.725   15.012 -11.51068 22.08338 
1 1 1    3    7   22 o  372.100   10.542  179.525   10.161  162.731   14.342  196.449   14.397  354.031   15.640  389.063   14.286 -35.03210 21.18240 
1 1 1    3    7   23 o  803.620   10.871  837.516   22.630  834.370   32.203  840.586   31.807  801.562   15.510  804.577   15.262 -3.014343 21.75950 
1 1 1    3    7   24 o  225.810   12.332   66.362   7.1860   63.606   10.412   68.868   9.9301  220.385   18.408  229.580   16.815 -9.194595 24.93181 
1 1 1    3    7   25 o  225.923   13.104   66.488   7.6355   68.202   11.689   65.212   10.084  227.975   19.996  223.220   17.583 4.754700 26.62727 
1 1 1    3    7   26 o  277.721   11.867  100.119   8.5368   91.227   12.538  107.804   11.656  264.046   18.448  287.515   15.710 -23.46918 24.23082 
1 1 1    3    7   27 o  643.993   10.519  538.230   17.547  534.393   25.196  541.844   24.450  640.987   15.175  645.538   14.622 -4.551208 21.07339 
1 1 1    3    7   28 o   83.557   27.669   8.7640   6.9753   4.9131   9.8910   12.574   9.8385   80.780   31.934   99.496   32.856 -18.71580 45.81829 
1 1 1    3    7   29 o   87.297   34.199   6.3189   11.251 -15.2900   17.997   20.180   14.414   78.354   36.474  123.412   39.706 -45.05778 53.91564 
1 1 1    3    7   30 o  438.685   14.860  250.980   16.886  245.300   22.937  257.700   24.950  432.350   20.481  442.773   21.754 -10.42267 29.87782 
1 1 1    3    7   31 o  225.194   14.689   66.509   8.5213   67.214   12.055   65.805   12.047  224.967   20.926  222.515   21.156 2.452652 29.75712 
1 1 1    3    7   32 o  193.913   15.262   49.535   7.6041   54.774   10.507   43.773   11.019  202.720   20.281  179.853   24.273 22.86725 31.63047 
1 1 1    3    7   33 o  527.295   10.404  362.301   14.210  378.943   21.138  348.577   19.196  537.432   15.184  515.795   14.367 21.63678 20.90388 
1 1 1    3    7   34 o   61.172   25.636   1.2329   6.8346  -3.6790   9.7981   5.8879   9.5384   63.566   28.554   80.236   31.473 -16.66999 42.49581 
1 1 1    3    7   35 o  326.506   11.743  139.465   9.9316  137.699   14.249  141.133   13.850  322.195   17.135  326.508   16.429 -4.313080 23.73839 
1 1 1    3    7   36 o  262.058   12.190   90.058   8.2747   81.435   12.260   97.273   11.214  246.193   19.382  270.678   16.066 -24.48506 25.17494 
1 1 1    3    7   37 o  117.880   22.119   19.390   6.5060   16.751   8.8219   22.536   9.6332  107.266   30.374  124.188   30.230 -16.92197 42.85404 
1 1 1    3    7   38 o  279.503   17.335  105.012   12.489  114.200   19.365   98.470   16.341  284.741   26.562  266.279   23.948 18.46277 35.76390 
1 1 1    3    7   39 o   48.486   22.760  -6.4106   7.2537  -1.7490   10.153 -11.2700   10.367   65.736   29.330   54.911   26.194 10.82500 39.32378 
1 1 1    3    7   40 o   98.682   28.630   14.541   7.7473   21.920   14.987   11.850   9.0503  116.458   40.530   90.835   31.502 25.62318 51.33298 
1 1 1    3    7   41 o  126.706   27.216   23.923   8.6658   27.560   16.237   22.474   10.247  126.351   42.230  119.830   32.287 6.520790 53.15786 
1 1 1    3    7   42 o  106.608   26.421   17.127   7.2593   15.740   10.545   18.377   10.009  100.011   34.028  107.344   32.890 -7.332985 47.32549 
1 1 1    3    7   43 o   74.150   27.804   7.2672   7.2210   8.0830   10.118   6.4202   10.309   80.555   32.154   77.527   31.895 3.028709 45.28990 
1 1 1    3    7   44 o   66.193   26.873   4.4963   7.1980  -0.6396   10.421   9.1819   9.9539   65.110   29.329   81.494   32.093 -16.38381 43.47551 
1 1 1    3    7   45 f   42.327   20.807 -13.4500   7.9415 -10.3493   11.206 -16.5787   11.256   55.650   26.730   50.824   24.940 4.826569 36.55829 
1 1 1    3    7   46 o   59.539   25.929   1.6149   7.4939   11.338   11.442  -5.6890   9.9168   84.590   34.042   56.032   26.399 28.55790 43.07877 
1 1 1    3    7   47 o   68.689   31.398   0.8334   12.488   0.0000   0.0000   0.8334   12.488  ?   ?    68.689   31.398 0.000000 31.39772 
1 1 1    3    7   48 o   97.213   32.810   17.895   9.8026   10.971   12.728   27.990   15.368   81.408   34.593  109.682   40.673 -28.27457 53.39436 
1 1 1    3    7   49 o  109.447   30.928   22.403   9.1562   29.607   12.877   15.037   13.022  115.825   37.557   85.537   35.577 30.28794 51.73225 
1 1 1    3    8    0 o  578.301   10.423  433.503   15.614  445.214   19.405  412.000   26.295  585.936   12.785  563.305   18.021 22.63049 22.09601 
1 1 1    3    8    1 o  513.074   10.159  341.215   13.502  337.372   16.537  348.900   23.385  510.070   12.516  518.417   17.414 -8.346283 21.44545 
1 1 1    3    8    2 o  1403.52   16.855  2556.97   61.276  2560.50   75.195  2550.00  105.719  1403.69   20.681  1398.48   29.184 5.208130 35.76875 
1 1 1    3    8    3 f  188.615   11.430   46.293   5.5582   56.030   10.197   42.178   6.6297  206.798   19.257  179.740   14.360 27.05823 24.02179 
1 1 1    3    8    4 o  570.819   10.527  422.392   15.565  436.900   27.664  415.671   18.829  579.991   18.414  566.133   12.840 13.85834 22.44823 
1 1 1    3    8    5 o  534.981   9.0322  370.940   12.516  379.915   17.982  362.505   17.433  541.221   12.827  528.679   12.730 12.54126 18.07123 
1 1 1    3    8    6 o  661.386   11.094  567.180   19.006  571.800   33.201  564.929   23.179  663.311   19.323  659.887   13.561 3.423645 23.60686 
1 1 1    3    8    7 o  469.899   12.821  286.442   15.606  287.700   22.145  285.200   21.996  470.544   18.168  468.499   18.125 2.045288 25.66359 
1 1 1    3    8    8 o  213.675   10.376   59.203   5.7431   63.825   8.3764   55.103   7.8895  221.242   14.700  205.475   14.925 15.76718 20.94872 
1 1 1    3    8    9 o  332.499   9.0880  143.337   7.8273  149.895   11.167  137.003   10.975  339.849   12.685  324.888   13.041 14.96149 18.19268 
1 1 1    3    8   10 o  338.433   8.8882  148.527   7.7918  159.000   16.347  145.448   8.8634  349.013   18.145  334.840   10.219 14.17230 20.82435 
1 1 1    3    8   11 o  335.730   10.314  146.299   8.9693  134.200   15.916  151.929   10.858  320.117   19.284  341.977   12.257 -21.85910 22.84987 
1 1 1    3    8   12 o  634.718   9.6864  523.059   15.925  514.400   31.765  525.966   18.406  627.076   19.556  636.222   11.168 -9.145935 22.52061 
1 1 1    3    8   13 o  285.182   9.3990  105.606   6.9431  113.562   9.9771   98.135   9.6683  295.376   13.040  274.523   13.596 20.85321 18.83885 
1 1 1    3    8   14 o  712.238   9.9825  658.824   18.417  660.353   26.136  657.315   25.956  712.069   14.170  710.448   14.104 1.621338 19.99293 
1 1 1    3    8   15 o  151.870   12.813   30.192   4.9933   34.331   7.1024   26.147   7.0214  161.375   17.258  140.111   19.906 21.26384 26.34591 
1 1 1    3    8   16 o  260.370   10.224   87.957   6.8956   91.013   10.023   85.210   9.5019  264.202   14.703  255.649   14.408 8.553085 20.58570 
1 1 1    3    8   17 o  328.131   11.221  139.671   9.5376  134.142   11.900  149.600   15.948  321.411   14.294  338.666   18.247 -17.25412 23.17862 
1 1 1    3    8   18 o  440.480   13.628  251.775   15.549  248.700   22.081  254.800   21.898  437.340   19.492  442.706   19.096 -5.366028 27.28717 
1 1 1    3    8   19 o  763.952   12.161  756.950   24.065  725.500   40.162  774.568   30.059  746.902   20.759  772.504   15.022 -25.60132 25.62391 
1 1 1    3    8   20 o  244.159   14.098   77.609   8.8783   72.517   10.977   87.240   15.096  235.570   18.129  257.909   22.833 -22.33910 29.15494 
1 1 1    3    8   21 o  1008.87   12.188  1320.13   31.850  1318.17   44.988  1322.10   45.097  1007.39   17.241  1008.88   17.257 -1.497681 24.39331 
1 1 1    3    8   22 o  608.185   10.134  479.589   15.966  480.194   22.917  479.018   22.256  608.214   14.546  607.507   14.143 0.7071533 20.28816 
1 1 1    3    8   23 o   87.114   26.506   9.9497   6.5152   17.975   9.4689   2.7338   8.9785  115.212   31.034   73.575   29.959 41.63670 43.13462 
1 1 1    3    8   24 o  311.011   11.537  125.500   9.2946  120.539   13.030  130.639   13.262  304.065   16.606  316.629   16.225 -12.56439 23.21651 
1 1 1    3    8   25 o  1038.60   12.450  1400.35   33.494  1405.46   47.541  1395.31   47.196  1039.27   17.660  1035.53   17.595 3.743408 24.92929 
1 1 1    3    8   26 o  363.743   11.355  171.741   10.699  167.264   15.321  176.001   14.947  358.529   16.498  367.856   15.686 -9.326843 22.76464 
1 1 1    3    8   27 o  431.246   10.653  241.406   11.900  245.961   16.874  236.898   16.786  434.817   14.982  426.705   15.187 8.112274 21.33273 
1 1 1    3    8   28 o  422.591   23.266  234.900   25.370  234.900   25.370   0.0000   0.0000  422.591   23.266  ?   ?  0.000000 23.26589 
1 1 1    3    8   29 o  391.676   14.712  199.896   14.927  191.100   19.904  211.200   22.564  381.424   20.217  400.578   21.829 -19.15384 29.75294 
1 1 1    3    8   30 o  324.825   14.027  137.582   11.802  139.184   14.549  134.500   20.182  325.691   17.307  318.024   24.693 7.666687 30.15436 
1 1 1    3    8   31 o  282.105   12.573  103.767   9.1876  113.698   12.935   93.654   13.052  293.996   17.059  266.207   19.054 27.78873 25.57476 
1 1 1    3    8   32 o  210.391   14.496   58.212   7.8518   68.556   10.895   47.034   11.326  227.323   18.667  186.434   24.011 40.88913 30.41370 
1 1 1    3    8   33 o  433.603   10.750  245.190   12.073  251.267   17.781  239.990   16.446  437.243   15.699  427.647   14.847 9.595795 21.60749 
1 1 1    3    8   34 o  352.857   11.496  162.704   10.508  163.425   15.478  162.088   14.310  351.790   16.986  350.823   15.748 0.9674988 23.16264 
1 1 1    3    8   35 o  270.894   12.867   96.263   9.0289  111.787   13.175   82.514   12.398  289.820   17.633  248.104   19.448 41.71637 26.25152 
1 1 1    3    8   36 o   76.624   24.822   7.8891   5.6261   10.789   7.3327   3.7385   8.7726   88.414   28.306   72.556   29.586 15.85708 40.94635 
1 1 1    3    8   37 o   61.910   24.559   3.2552   5.8685  -3.9947   8.4014   10.163   8.2010   56.971   25.929   86.917   29.996 -29.94592 39.64963 
1 1 1    3    8   38 o   58.018   26.043  -2.4423   8.1353 -22.5900   17.453   3.1507   9.1954   66.901   32.434   71.551   29.840 -4.649437 44.07206 
1 1 1    3    8   39 f  111.228   29.417   18.552   8.6057   7.1054   10.627   40.360   14.668   82.244   32.910  160.443   36.160 -78.19985 48.89380 
1 1 1    3    8   40 o   76.653   26.959   7.9348   6.6390   12.005   10.248   4.9913   8.7152   91.947   33.357   73.123   29.611 18.82450 44.60336 
1 1 1    3    8   41 o   62.856   27.351   0.6190   8.3241   28.240   19.308  -5.6866   9.2254  125.082   45.724   56.378   26.201 68.70499 52.69852 
1 1 1    3    8   42 o  130.877   24.316   25.185   7.9400   31.542   11.746   19.836   10.774  140.350   32.885  110.236   34.183 30.11372 47.43346 
1 1 1    3    8   43 o   92.038   28.279   13.197   7.3929   22.881   11.200   5.7208   9.8413  116.317   34.611   74.929   31.027 41.38798 46.48241 
1 1 1    3    8   44 o  115.398   28.440   21.280   8.4466   20.802   11.913   21.763   11.978  108.033   36.172  110.328   36.244 -2.295044 51.20594 
1 1 1    3    8   45 o   52.985   24.187  -2.1589   7.3793  -0.3200   11.091  -3.6196   9.8846   65.939   29.926   58.717   27.230 7.222431 40.46064 
1 1 1    3    8   46 o   66.150   29.080   2.6055   9.6241  -0.6641   11.506   10.220   17.560   65.555   30.029   86.356   38.547 -20.80090 48.86350 
1 1 1    3    8   47 o   53.527   24.900  -3.3314   8.3653  -3.6530   14.674  -3.1766   10.182   67.437   31.876   58.704   27.363 8.733109 42.00982 
1 1 1    3    8   48 o  105.562   31.288   20.586   9.1660   46.639   12.755  -7.2320   13.181  161.777   31.572   60.380   28.998 101.3970 42.86839 
1 1 1    3    8   49 o   64.585   28.743   3.7171   9.6849 -11.9100   20.128   8.4252   11.048   66.047   32.593   73.499   31.745 -7.451561 45.49768 
1 1 1    3    9    0 o  645.211   10.984  539.733   18.357  540.500   31.855  539.352   22.462  644.988   19.067  644.814   13.448 0.1742554 23.33221 
1 1 1    3    9    1 o  543.240   10.500  382.581   14.776  364.600   25.187  392.016   18.245  529.796   18.353  549.769   12.812 -19.97241 22.38288 
1 1 1    3    9    2 o  626.860   10.885  509.469   17.675  503.700   30.623  512.351   21.644  622.633   18.988  628.468   13.295 -5.835510 23.17958 
1 1 1    3    9    3 o  529.610   10.439  363.635   14.320  385.400   25.723  353.859   17.239  544.675   18.232  522.316   12.741 22.35895 22.24300 
1 1 1    3    9    4 o  651.865   13.644  551.322   23.039  545.200   32.379  557.600   32.788  647.661   19.300  654.981   19.326 -7.320679 27.31278 
1 1 1    3    9    5 f  877.057   15.448  998.652   35.095  1035.00   50.895  965.700   48.458  891.776   22.033  861.463   21.716 30.31274 30.93574 
1 1 1    3    9    6 o  517.043   10.505  346.652   14.069  338.330   17.066  364.300   24.853  510.643   12.903  529.415   18.123 -18.77161 22.24661 
1 1 1    3    9    7 o  656.154   9.6922  558.243   16.473  564.630   23.464  552.034   23.133  659.521   13.735  652.128   13.695 7.393494 19.39547 
1 1 1    3    9    8 o  361.832   9.0469  169.757   8.4792  168.320   11.960  171.209   12.023  360.090   12.823  363.170   12.781 -3.079865 18.10415 
1 1 1    3    9    9 o  368.739   9.3331  176.357   8.9145  174.693   12.807  177.921   12.416  366.705   13.482  370.120   12.951 -3.415619 18.69496 
1 1 1    3    9   10 o  264.789   11.885   91.082   8.1516   91.680   14.506   90.807   9.8546  263.922   21.404  263.803   14.477 0.1184692 25.83998 
1 1 1    3    9   11 o  575.341   9.4562  429.743   14.093  433.300   28.718  428.615   16.174  575.556   19.263  574.364   10.871 1.191345 22.11872 
1 1 1    3    9   12 o  276.766   10.048   99.507   7.2037  108.700   15.100   96.798   8.1965  287.223   20.429  272.837   11.598 14.38577 23.49182 
1 1 1    3    9   13 f  259.671   10.302   87.598   6.9291   96.610   14.308   84.837   7.9198  270.725   20.557  255.410   11.971 15.31505 23.78884 
1 1 1    3    9   14 o  546.565   10.901  388.001   15.433  357.900   26.422  403.588   19.013  523.313   19.492  557.072   13.176 -33.75922 23.52793 
1 1 1    3    9   15 o  657.044   9.8194  560.119   16.712  555.377   23.523  564.952   23.747  653.676   13.893  659.284   13.906 -5.608704 19.65636 
1 1 1    3    9   16 o  371.632   9.4927  179.098   9.1380  184.441   13.273  174.283   12.600  376.888   13.596  366.384   13.276 10.50330 19.00265 
1 1 1    3    9   17 o  266.345   16.464   92.506   11.303   83.560   16.976   99.630   15.150  251.668   26.436  275.834   21.370 -24.16582 33.99363 
1 1 1    3    9   18 o  279.173   12.630  101.102   9.1335  100.515   11.151  102.300   15.920  277.813   15.559  279.493   22.172 -1.679962 27.08613 
1 1 1    3    9   19 o  734.521   20.555  701.600   39.109  701.600   39.109   0.0000   0.0000  734.521   20.555  ?   ?  0.000000 20.55536 
1 1 1    3    9   20 o  1110.96   12.901  1601.10   37.127  1590.78   52.376  1611.53   52.635  1106.47   18.274  1113.67   18.246 -7.200928 25.82372 
1 1 1    3    9   21 o  931.040   11.681  1124.28   28.170  1114.34   39.709  1134.36   39.969  926.248   16.551  934.540   16.511 -8.291748 23.37810 
1 1 1    3    9   22 o  326.355   10.922  138.133   9.2333  138.229   12.966  138.035   13.152  326.250   15.342  326.007   15.575 0.2430725 21.86231 
1 1 1    3    9   23 o  730.387   10.615  691.919   20.083  694.862   28.552  689.038   28.252  731.401   15.071  728.343   14.975 3.057800 21.24558 
1 1 1    3    9   24 o  379.936   10.913  187.278   10.740  187.129   15.387  187.419   14.996  379.441   15.655  379.769   15.244 -0.3280640 21.85149 
1 1 1    3    9   25 o  543.909   10.302  383.818   14.514  390.934   20.779  377.038   20.283  548.447   14.627  538.622   14.538 9.824097 20.62235 
1 1 1    3    9   26 o  277.645   12.782  100.144   9.1928  105.546   13.084   94.878   12.919  284.071   17.872  269.155   18.645 14.91647 25.82723 
1 1 1    3    9   27 o  272.884   14.903   97.193   10.495   98.903   12.885   93.820   18.090  274.767   18.206  265.846   26.628 8.920593 32.25678 
1 1 1    3    9   28 o  356.386   17.388  165.773   16.051  158.100   24.554  171.500   21.212  344.960   27.713  360.800   22.814 -15.84006 35.89540 
1 1 1    3    9   29 o  714.906   15.104  666.621   27.970  663.900   39.009  669.500   40.124  711.037   21.180  713.786   21.701 -2.748596 30.32396 
1 1 1    3    9   30 o  293.187   12.680  112.014   9.6295  115.163   13.809  109.034   13.435  295.807   18.109  287.798   18.114 8.009003 25.61378 
1 1 1    3    9   31 o  106.923   26.721   15.882   7.3801   8.3897   10.320   23.726   10.559   88.558   33.232  129.866   31.672 -41.30788 45.90734 
1 1 1    3    9   32 o  267.254   12.473   93.305   8.6345   99.888   11.844   85.838   12.615  275.107   16.699  254.135   19.307 20.97159 25.52722 
1 1 1    3    9   33 o   97.781   26.949   13.371   7.0450   11.072   10.242   15.436   9.7059   94.032   33.440  105.173   32.416 -11.14108 46.57289 
1 1 1    3    9   34 o  226.068   14.191   67.407   8.2681   71.960   12.462   63.827   11.050  231.180   21.042  218.113   19.774 13.06619 28.87477 
1 1 1    3    9   35 o  165.365   17.011   36.617   7.1828   42.326   10.169   30.932   10.147  175.732   22.883  148.005   27.478 27.72688 35.75887 
1 1 1    3    9   36 o  293.362   11.932  112.981   9.0672  119.316   12.678  106.348   12.974  299.269   16.417  281.763   17.868 17.50543 24.26465 
1 1 1    3    9   37 o  444.311   12.548  260.172   14.441  258.684   18.071  262.800   24.023  440.796   15.827  439.671   21.093 1.124298 26.37060 
1 1 1    3    9   38 o  137.153   22.650   26.504   7.7658   14.530   12.806   33.469   9.7666  101.296   37.205  152.915   25.559 -51.61900 45.13890 
1 1 1    3    9   39 o  177.740   20.190   43.767   9.1308   59.634   11.733   19.400   14.540  206.362   22.304  111.267   39.813 95.09429 45.63532 
1 1 1    3    9   40 f   74.692   27.209   7.2575   6.8286  -4.1450   9.6283   18.798   9.6862   59.924   27.457  109.899   32.050 -49.97438 42.20308 
1 1 1    3    9   41 o  105.961   30.918   17.557   9.0120   23.110   20.030   16.147   10.091  115.479   45.510  101.310   33.267 14.16882 56.37193 
1 1 1    3    9   42 o   87.948   30.047   11.732   8.2220   21.850   19.078   9.4243   9.1116  111.037   44.206   82.461   31.166 28.57618 54.08805 
1 1 1    3    9   43 o   89.687   29.519   12.667   7.9437   13.623   11.452   11.779   11.028   92.568   34.951   88.358   34.068 4.210289 48.80812 
1 1 1    3    9   44 o   94.487   28.802   14.496   7.6876   13.444   11.899   15.250   10.072   90.683   35.268   94.848   33.213 -4.165062 48.44583 
1 1 1    3    9   45 o   81.440   30.379   10.488   8.5983   13.727   12.076   7.1578   12.246   89.671   35.337   78.228   33.602 11.44321 48.76254 
1 1 1    3    9   46 o   61.368   29.172  -6.5774   12.629   11.550   19.073 -20.7300   16.853   87.782   39.597   60.246   29.747 27.53606 49.52628 
1 1 1    3    9   47 o   71.734   31.793   4.8923   11.731   4.2150   16.125   5.6540   17.100   76.172   35.132   78.513   36.200 -2.341095 50.44542 
1 1 1    3    9   48 o   89.355   31.498   15.129   9.0677   11.140   12.911   19.012   12.738   80.066   34.450   93.780   36.486 -13.71357 50.18011 
1 1 1    3   10    0 o  714.489   9.9404  661.833   18.397  665.527   26.141  658.208   25.895  716.116   14.093  712.173   14.037 3.942871 19.89090 
1 1 1    3   10    1 o  782.333   11.910  793.848   24.136  777.700   41.232  802.265   29.769  773.216   20.587  786.179   14.618 -12.96375 25.24879 
1 1 1    3   10    2 o  350.275   10.476  159.089   9.5048  157.300   16.562  159.967   11.606  347.393   18.472  351.143   12.760 -3.750366 22.45080 
1 1 1    3   10    3 o  298.455   9.0706  115.469   7.0124  118.117   9.9886  112.896   9.8469  301.723   12.780  294.976   12.887 6.746948 18.14995 
1 1 1    3   10    4 o  624.111   9.4807  505.004   15.327  516.398   21.997  494.252   21.368  630.781   13.463  617.116   13.367 13.66486 18.97174 
1 1 1    3   10    5 o  193.570   10.963   48.757   5.4743   43.178   7.7735   54.246   7.7106  181.509   16.722  203.855   14.701 -22.34618 22.26491 
1 1 1    3   10    6 o  175.018   11.725   39.925   5.2849   41.218   7.5863   38.706   7.3666  177.274   16.718  171.731   16.775 5.542953 23.68304 
1 1 1    3   10    7 o  308.682   9.5433  123.586   7.6307  126.756   10.877  120.514   10.708  312.394   13.441  304.597   13.572 7.796844 19.10137 
1 1 1    3   10    8 o  353.269   9.3642  161.904   8.5689  151.662   11.994  172.583   12.247  341.600   13.555  364.454   12.973 -22.85367 18.76206 
1 1 1    3   10    9 o  343.687   9.5956  153.317   8.5425  156.535   12.320  150.338   11.855  346.882   13.711  339.974   13.462 6.908386 19.21533 
1 1 1    3   10   10 o  339.395   9.9082  149.600   8.7106  148.126   12.557  150.968   12.093  337.204   14.376  340.513   13.711 -3.309265 19.86611 
1 1 1    3   10   11 o  283.034   9.9040  104.064   7.2611  113.100   15.876  101.674   8.1652  292.798   21.073  279.641   11.272 13.15649 23.89841 
1 1 1    3   10   12 o  339.375   9.6041  149.573   8.4428  142.900   16.898  151.792   9.7465  329.682   19.881  341.739   11.010 -12.05640 22.72587 
1 1 1    3   10   13 o  198.855   11.937   51.577   6.1202   22.480   13.478   59.135   6.8691  128.316   37.918  212.904   12.511 -84.58817 39.92824 
1 1 1    3   10   14 o  693.032   10.180  623.301   18.276  590.600   35.919  634.724   21.229  672.519   20.619  699.125   11.723 -26.60590 23.71823 
1 1 1    3   10   15 o  588.450   9.8732  449.127   15.049  445.200   30.861  450.353   17.238  584.490   20.384  589.120   11.296 -4.629578 23.30470 
1 1 1    3   10   16 o  470.636   14.075  287.551   17.158  289.700   25.225  285.700   23.408  471.752   20.642  468.634   19.283 3.117279 28.24788 
1 1 1    3   10   17 o  410.496   9.5080  218.448   10.110  199.610   13.947  239.306   14.676  392.197   13.729  429.460   13.193 -37.26273 19.04014 
1 1 1    3   10   18 o  1202.64   18.763  1879.75   58.450  1864.00   82.028  1896.00   83.310  1195.54   26.488  1205.70   26.675 -10.15967 37.59229 
1 1 1    3   10   19 o  653.107   12.412  553.281   20.997  562.100   25.805  536.000   36.123  658.048   15.139  641.825   21.728 16.22388 26.48179 
1 1 1    3   10   20 o  294.792   13.738  112.771   10.491   96.379   13.036  142.900   17.673  271.672   18.637  330.791   20.730 -59.11911 27.87615 
1 1 1    3   10   21 f  656.022   14.493  558.713   24.627   0.0000   0.0000  558.713   24.627  ?   ?   656.022   14.493 0.000000 14.49255 
1 1 1    3   10   22 o  896.310   11.422  1042.19   26.519  1035.46   37.413  1048.98   37.596  892.679   16.180  898.493   16.154 -5.814148 22.86337 
1 1 1    3   10   23 o  271.742   12.290   95.841   8.6507  113.281   12.614   80.354   11.886  294.717   16.591  247.788   18.656 46.92845 24.96599 
1 1 1    3   10   24 o  330.415   11.633  141.698   9.9566  146.592   14.430  137.249   13.756  335.705   16.594  324.434   16.422 11.27020 23.34627 
1 1 1    3   10   25 o  197.631   16.242   51.163   8.2413   53.574   11.582   48.690   11.729  201.235   22.612  191.423   24.195 9.812088 33.11596 
1 1 1    3   10   26 o  358.421   12.686  166.931   11.778  161.763   14.328  177.700   20.683  352.523   15.691  367.999   21.795 -15.47556 26.85546 
1 1 1    3   10   27 o  321.322   28.419  137.300   23.410  137.300   23.410   0.0000   0.0000  321.322   28.419  ?   ?  0.000000 28.41879 
1 1 1    3   10   28 o  287.358   12.766  107.443   9.5020  102.138   13.459  112.715   13.417  278.820   18.744  293.169   17.751 -14.34924 25.81593 
1 1 1    3   10   29 o  103.481   30.864   14.543   8.8988   11.970   12.395   17.280   12.783  101.431   36.702  114.297   37.438 -12.86672 52.42786 
1 1 1    3   10   30 o  124.365   23.458   21.132   7.2797   26.282   10.431   16.242   10.164  137.321   30.151  108.862   33.103 28.45926 44.77621 
1 1 1    3   10   31 o  172.977   18.044   39.805   7.9659   37.523   11.585   41.851   10.971  164.853   28.140  175.433   24.836 -10.57985 37.53263 
1 1 1    3   10   32 o  224.548   13.895   66.309   8.0423   57.924   10.752   76.956   12.116  208.023   20.210  240.230   19.643 -32.20702 28.18298 
1 1 1    3   10   33 o   54.853   24.333  -1.9273   6.8864 -10.2810   9.9454   5.7667   9.5445   55.685   26.297   79.824   31.429 -24.13880 40.97912 
1 1 1    3   10   34 o   67.896   26.290   4.3803   6.5889   7.2179   9.7362   1.9827   8.9495   83.178   32.027   69.857   29.308 13.32069 43.41343 
1 1 1    3   10   35 o   84.391   26.557   9.8092   6.4763   7.1975   9.0678   12.529   9.2527   81.198   30.994   95.391   31.878 -14.19260 44.46218 
1 1 1    3   10   36 o   94.777   25.451   12.841   6.3801   11.445   9.6550   13.923   8.5005   92.244   32.503   98.371   30.339 -6.126564 44.46274 
1 1 1    3   10   37 o   97.654   35.158   13.254   11.355  -8.3100   18.893   25.450   14.208   81.304   37.684  126.967   39.234 -45.66315 54.40049 
1 1 1    3   10   38 o   84.309   27.844   10.056   7.0657   6.1640   10.740   13.026   9.3818   80.606   32.788   94.663   32.098 -14.05664 45.88346 
1 1 1    3   10   39 o   64.597   25.354   4.1985   6.1935   3.6037   7.9796   5.0999   9.8229   68.169   28.055   75.896   31.168 -7.726479 41.93520 
1 1 1    3   10   40 o   67.115   25.991   4.9830   6.4406   3.4411   10.058   6.0549   8.3854   72.758   30.826   74.284   29.391 -1.525314 42.59178 
1 1 1    3   10   41 o  168.107   18.851   39.403   8.0671   16.401   11.344   62.936   11.474  101.217   35.260  210.906   21.295 -109.6884 41.19091 
1 1 1    3   10   42 o   80.897   30.263   9.2354   8.5446   4.1740   14.476   11.941   10.585   80.867   35.605   89.172   33.618 -8.304977 48.96830 
1 1 1    3   10   43 o   52.348   24.140  -3.4713   7.6093   15.760   15.686  -9.3897   8.7017   97.132   39.579   49.096   23.575 48.03532 46.06843 
1 1 1    3   10   44 o  115.162   28.337   21.536   8.3955   24.634   11.692   18.239   12.063  116.252   35.536  100.086   36.208 16.16633 50.73340 
1 1 1    3   10   45 o  114.206   28.854   21.759   8.5387   31.253   11.712   10.989   12.475  131.776   34.064   84.032   34.876 47.74400 48.75111 
1 1 1    3   10   46 o  112.193   33.695   23.498   10.579   30.440   20.832   21.086   12.281  108.154   44.993  102.586   36.602 5.567482 58.00040 
1 1 1    3   10   47 o   71.421   30.207   6.7708   9.6313   1.4870   11.512   19.100   17.584   66.226   30.223   92.481   39.996 -26.25467 50.13098 
1 1 1    3   10   48 o  106.555   27.430   19.847   7.6158   16.210   10.810   23.432   10.732   88.832   33.857  106.687   34.254 -17.85528 48.16197 
1 1 1    3   11    0 o  265.711   19.714   92.400   13.472   92.400   13.472   0.0000   0.0000  265.711   19.714  ?   ?  0.000000 19.71357 
1 1 1    3   11    1 o  383.201   10.402  190.453   10.325  197.700   18.427  187.137   12.465  389.849   18.248  379.720   12.673 10.13000 22.21674 
1 1 1    3   11    2 o  312.235   9.1943  126.409   7.4362  126.900   10.709  125.951   10.334  312.652   13.223  311.503   12.807 1.149261 18.40844 
1 1 1    3   11    3 f  206.655   10.776   55.553   5.7482   56.959   8.2079   54.198   8.0528  208.811   15.281  203.649   15.379 5.162140 21.68011 
1 1 1    3   11    4 o  200.692   10.921   52.415   5.6558   53.707   8.0938   51.182   7.9065  202.672   15.536  197.820   15.555 4.851959 21.98466 
1 1 1    3   11    5 o  375.845   9.2928  183.221   9.0470  184.822   12.804  181.624   12.785  377.210   13.104  373.925   13.200 3.285461 18.59968 
1 1 1    3   11    6 o  486.756   9.2675  307.377   11.685  314.551   16.600  300.332   16.451  492.001   13.026  480.729   13.211 11.27194 18.55249 
1 1 1    3   11    7 o  346.800   13.399  156.419   12.037   0.0000   0.0000  156.419   12.037  ?   ?   346.800   13.399 0.000000 13.39918 
1 1 1    3   11    8 o  294.455   10.111  112.606   7.7117  118.580   10.981  106.793   10.833  301.776   14.047  285.946   14.675 15.82980 20.31443 
1 1 1    3   11    9 o  241.050   11.273   75.546   7.0389   75.515   10.056   75.575   9.8562  239.963   16.274  240.121   15.937 -0.1581726 22.77776 
1 1 1    3   11   10 o  647.608   10.017  544.896   16.804  547.409   24.004  542.480   23.531  648.043   14.300  645.182   14.080 2.861389 20.06852 
1 1 1    3   11   11 o  279.285   10.882  101.371   7.8723  105.905   11.553   97.442   10.756  284.502   15.738  272.943   15.274 11.55847 21.93165 
1 1 1    3   11   12 o   37.759   17.883  -5.5582   4.6611 -14.9300   11.837  -3.8383   5.0708   59.011   28.105   42.980   19.779 16.03033 34.36724 
1 1 1    3   11   13 o  197.635   12.237   50.930   6.2336   46.410   14.375   51.976   6.9179  185.179   31.069  199.525   13.464 -14.34567 33.86103 
1 1 1    3   11   14 o  986.213   13.938  1263.44   35.606  1262.00   61.530  1264.16   43.659  982.729   24.172  985.757   17.098 -3.027649 29.60764 
1 1 1    3   11   15 o  307.814   15.993  123.433   12.708  112.500   18.989  132.300   17.101  292.497   25.312  318.079   20.872 -25.58191 32.80788 
1 1 1    3   11   16 o   87.654   23.526   10.352   5.4531  -6.2890   14.051   13.303   5.9169   76.473   34.284   99.081   23.424 -22.60842 41.52156 
1 1 1    3   11   17 o   56.658   24.907  -1.9160   7.0597   0.0000   0.0000  -1.9160   7.0597  ?   ?    56.658   24.907 0.000000 24.90670 
1 1 1    3   11   18 o  1093.35   14.763  1551.63   41.811  1502.28   50.160  1664.00   75.686  1075.25   18.010  1129.70   25.864 -54.45007 31.51671 
1 1 1    3   11   19 o  106.523   25.841   15.388   7.0573   20.602   9.7292   9.5985   10.252  123.125   30.631   93.082   33.419 30.04236 45.33293 
1 1 1    3   11   20 o  262.586   14.462   89.783   9.7986   94.878   11.592   77.030   18.340  269.726   16.673  240.845   30.051 28.88071 34.36622 
1 1 1    3   11   21 o  272.871   13.745   96.905   9.6837   85.288   12.059  118.000   16.250  255.431   18.348  300.296   21.023 -44.86505 27.90354 
1 1 1    3   11   22 o  133.752   21.035   23.866   7.0472   28.744   10.038   19.126   9.8959  145.878   27.576  118.641   31.626 27.23692 41.95958 
1 1 1    3   11   23 o  669.791   14.726  582.970   25.548   0.0000   0.0000  582.970   25.548  ?   ?   669.791   14.726 0.000000 14.72566 
1 1 1    3   11   24 o   50.248   22.232  -1.8680   5.7123  -0.7092   8.8502  -2.6955   7.4787   66.158   28.494   56.969   25.311 9.188835 38.11196 
1 1 1    3   11   25 o  582.778   10.524  440.835   15.887  442.115   22.406  439.540   22.528  582.996   14.837  581.274   14.962 1.722046 21.07155 
1 1 1    3   11   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   11   27 o  116.086   30.934   18.526   9.4699   33.550   19.972   14.169   10.756  155.105   46.233  104.723   34.343 50.38257 57.59278 
1 1 1    3   11   28 o  190.714   17.701   47.977   8.6447   51.360   13.358   45.539   11.340  195.100   27.169  184.259   24.355 10.84109 36.48780 
1 1 1    3   11   29 o   44.789   21.025  -6.3106   6.1900  -1.6194   9.8803  -9.3417   7.9419   67.768   29.635   49.082   23.274 18.68533 37.68199 
1 1 1    3   11   30 o  486.583   10.663  308.315   13.439  327.195   19.972  292.690   18.168  499.782   15.427  472.897   14.832 26.88440 21.40029 
1 1 1    3   11   31 o  258.686   12.915   87.492   8.6542  101.457   13.288   77.205   11.405  276.568   18.657  241.182   18.394 35.38675 26.19979 
1 1 1    3   11   32 o  170.156   16.548   38.511   7.2014   41.938   10.653   35.627   9.7726  175.191   24.114  161.233   24.142 13.95824 34.12198 
1 1 1    3   11   33 o  134.227   22.026   24.729   7.3925   34.256   11.282   17.562   9.7857  155.748   29.034  110.790   32.187 44.95795 43.34697 
1 1 1    3   11   34 o  226.466   13.833   67.732   8.0755   67.730   11.431   67.735   11.410  224.185   19.892  224.212   19.850 -0.2636719E-01 28.10217 
1 1 1    3   11   35 o  177.583   16.779   42.295   7.6267   40.926   11.004   43.562   10.580  170.880   25.652  177.375   23.615 -6.494751 34.86646 
1 1 1    3   11   36 o   83.728   29.590   9.2438   8.0075   0.8950   9.9932   24.220   13.384   70.004   30.214  125.082   37.975 -55.07832 48.52822 
1 1 1    3   11   37 o  118.049   29.273   20.749   8.9070   28.820   19.557   18.637   10.005  130.994   46.248  110.809   32.647 20.18496 56.60999 
1 1 1    3   11   38 o  215.416   18.615   63.537   10.285   64.540   15.201   62.690   13.968  209.690   28.743  208.447   26.466 1.243256 39.07173 
1 1 1    3   11   39 o  157.144   18.876   34.215   7.5299   41.132   11.507   29.034   9.9581  166.806   27.596  138.965   28.617 27.84094 39.75552 
1 1 1    3   11   40 o  198.863   16.232   53.922   8.2886   59.845   11.503   47.525   11.954  205.459   21.954  179.456   26.514 26.00240 34.42329 
1 1 1    3   11   41 f   73.087   27.644   6.8689   7.1721   7.6466   9.8148   5.9778   10.506   79.342   31.669   77.215   32.023 2.127068 45.03802 
1 1 1    3   11   42 o   78.942   27.792   9.1958   7.0573  -3.3488   9.7534   22.981   10.224   59.789   27.483  117.579   32.490 -57.79036 42.55501 
1 1 1    3   11   43 o   65.647   29.072   1.2589   9.7894   7.8980   19.117  -1.1009   11.397   88.126   39.708   66.143   30.141 21.98288 49.85153 
1 1 1    3   11   44 o   74.057   29.547   7.4899   8.5397  -2.1157   12.354   16.279   11.817   66.065   30.569   94.877   35.570 -28.81185 46.90113 
1 1 1    3   11   45 o   35.527   18.049 -28.9301   8.7894 -24.3479   11.791 -34.6600   13.185   46.681   23.347   45.505   23.005 1.176315 32.77699 
1 1 1    3   11   46 f   48.921   23.589  -8.7382   8.9277 -28.0094   12.899   8.9843   12.369   47.264   23.748   78.433   33.733 -31.16931 41.25398 
1 1 1    3   11   47 o   72.312   30.541   7.5464   9.8237  -2.9206   12.644   23.490   15.605   62.733   29.633   98.608   39.730 -35.87535 49.56398 
1 1 1    3   11   48 o   47.575   22.969  -7.5389   8.5288  -1.9555   12.124 -13.0091   12.000   61.276   28.967   52.021   25.573 9.254841 38.64045 
1 1 1    3   12    0 o  465.567   10.655  281.316   12.849  277.400   22.398  283.237   15.687  461.304   18.745  466.918   12.970 -5.614349 22.79465 
1 1 1    3   12    1 o  233.794   10.502   70.940   6.3601   72.006   9.2201   69.971   8.7848  234.788   15.243  231.499   14.726 3.288635 21.19462 
1 1 1    3   12    2 o  506.087   9.3306  332.285   12.232  336.740   17.390  327.922   17.208  509.038   13.189  502.324   13.225 6.713684 18.67715 
1 1 1    3   12    3 o  710.438   10.078  655.087   18.547  660.044   26.299  650.183   26.160  712.361   14.252  707.013   14.284 5.348145 20.17846 
1 1 1    3   12    4 f  277.627   10.060  100.059   7.2349   99.291   10.187  100.841   10.277  275.867   14.305  278.014   14.320 -2.147186 20.24047 
1 1 1    3   12    5 f  358.940   9.5264  167.253   8.8572  172.785   12.725  162.055   12.336  364.402   13.481  352.904   13.495 11.49789 19.07497 
1 1 1    3   12    6 o  268.181   10.268   93.431   7.1327   94.436   9.9724   92.378   10.206  268.855   14.372  265.817   14.882 3.038086 20.68879 
1 1 1    3   12    7 o  194.237   12.646   49.311   6.3277   57.483   9.2983   42.262   8.6359  209.001   17.332  178.678   18.948 30.32330 25.67913 
1 1 1    3   12    8 o  432.523   9.7447  243.036   10.918  244.142   15.631  241.982   15.255  432.813   13.943  430.948   13.666 1.865356 19.52324 
1 1 1    3   12    9 o  281.776   10.956  103.221   7.9966   99.789   11.338  106.618   11.280  276.026   15.925  285.463   15.311 -9.436615 22.09146 
1 1 1    3   12   10 f  228.616   12.089   68.159   7.1337   60.552   10.461   74.771   9.7530  214.306   19.044  238.911   15.850 -24.60501 24.77677 
1 1 1    3   12   11 o  375.714   10.319  183.281   10.043  185.031   14.384  181.618   14.027  377.017   14.729  373.553   14.496 3.463684 20.66627 
1 1 1    3   12   12 o  684.326   10.365  607.767   18.373  633.054   26.702  585.028   25.321  697.680   14.775  670.732   14.574 26.94849 20.75357 
1 1 1    3   12   13 o  272.879   17.212   97.252   12.104   82.920   18.163  108.700   16.233  249.926   28.570  287.840   21.938 -37.91437 36.02095 
1 1 1    3   12   14 o  364.897   11.798  172.751   11.152  204.300   22.434  162.397   12.852  395.365   21.992  353.664   14.029 41.70007 26.08591 
1 1 1    3   12   15 o   76.100   25.505   7.0887   5.9229   10.410   15.554   6.5255   6.4055  106.290   40.589   75.382   26.482 30.90836 48.46361 
1 1 1    3   12   16 o  190.925   21.059   47.999   10.242   0.0000   0.0000   47.999   10.242  ?   ?   190.925   21.059 0.000000 21.05926 
1 1 1    3   12   17 o  312.403   14.035  126.658   11.358  119.400   19.461  130.406   13.986  301.621   25.138  316.376   17.131 -14.75436 30.42012 
1 1 1    3   12   18 o   56.687   25.763  -5.0430   8.2565  -5.0040   20.324  -5.0508   9.0357   96.076   42.247   59.961   27.132 36.11510 50.20859 
1 1 1    3   12   19 o  395.194   12.482  202.633   12.778  191.100   22.366  208.222   15.568  382.344   22.684  400.449   15.009 -18.10516 27.20008 
1 1 1    3   12   20 o  586.499   10.241  446.089   15.558  453.953   22.388  438.745   21.636  591.246   14.618  581.284   14.369 9.961853 20.49813 
1 1 1    3   12   21 o   92.210   27.506   11.258   7.0675   10.322   7.9774   14.670   15.238   90.457   29.572  113.688   40.750 -23.23093 50.34928 
1 1 1    3   12   22 o  454.125   12.107  267.695   14.242  267.693   17.219  267.700   25.340  453.888   14.646  453.028   21.594 0.8601685 26.09222 
1 1 1    3   12   23 o   57.760   24.621  -0.0518   6.4843   0.7228   8.9002  -0.9281   9.4663   69.051   29.112   68.103   29.400 0.9484482 41.37450 
1 1 1    3   12   24 o  395.164   14.854  203.106   15.204   0.0000   0.0000  203.106   15.204  ?   ?   395.164   14.854 0.000000 14.85384 
1 1 1    3   12   25 o  331.344   13.642  142.777   11.708  144.116   14.637  140.400   19.509  332.079   17.074  326.515   23.218 5.563416 28.82021 
1 1 1    3   12   26 o  290.414   31.831  113.300   23.553  113.300   23.553   0.0000   0.0000  290.414   31.831  ?   ?  0.000000 31.83093 
1 1 1    3   12   27 o  254.005   12.854   84.194   8.4297   84.269   12.388   84.129   11.504  252.992   19.043  253.068   17.660 -0.7675171E-01 25.97141 
1 1 1    3   12   28 o   80.750   27.865   7.9614   7.0768   4.1520   8.6357   15.750   12.348   74.757   29.748  109.979   36.826 -35.22188 47.34051 
1 1 1    3   12   29 o  389.282   11.301  197.398   11.395  204.990   16.659  190.722   15.622  395.486   16.261  381.599   15.804 13.88727 22.67611 
1 1 1    3   12   30 o  183.592   16.649   44.653   7.8314   33.454   11.318   54.941   10.848  154.931   29.274  202.566   20.978 -47.63472 36.01431 
1 1 1    3   12   31 o   66.812   26.500   3.5550   6.8321   5.7285   9.6545   1.3747   9.6696   80.236   31.603   71.481   30.252 8.754745 43.74849 
1 1 1    3   12   32 o   93.652   27.537   12.231   7.1242   27.185   10.394  -1.0188   9.7839  138.192   29.905   67.439   29.491 70.75332 42.00043 
1 1 1    3   12   33 o  247.033   13.681   80.463   8.7200   80.832   12.836   80.147   11.883  244.978   20.414  244.597   18.902 0.3810577 27.82101 
1 1 1    3   12   34 o  112.882   24.282   17.985   6.8892   18.749   10.239   17.354   9.3123  113.161   32.938  109.271   31.299 3.889664 45.43705 
1 1 1    3   12   35 o  193.387   15.277   49.920   7.5905   66.186   11.698   38.092   9.9756  220.243   20.750  165.117   24.028 55.12538 31.74794 
1 1 1    3   12   36 o   92.689   35.199   10.955   11.657   6.0540   18.593   14.130   14.964   95.747   41.268  102.940   39.686 -7.193085 57.25421 
1 1 1    3   12   37 o  117.227   26.330   20.157   7.7998   42.760   13.341   8.4188   9.6142  168.388   31.751   83.100   31.868 85.28840 44.98559 
1 1 1    3   12   38 o   78.867   29.858   7.7991   8.3714  -2.6683   10.592   25.220   13.664   64.987   29.394  123.518   38.528 -58.53085 48.45999 
1 1 1    3   12   39 o   82.415   27.733   9.8179   7.0031   2.9181   9.5021   18.022   10.361   70.271   29.875  106.504   33.601 -36.23295 44.96151 
1 1 1    3   12   40 o  158.737   17.639   34.908   7.1300   35.108   10.167   34.714   10.002  153.273   26.572  152.640   26.242 0.6332397 37.34549 
1 1 1    3   12   41 o  152.899   31.373   37.341   12.009   37.341   12.009   0.0000   0.0000  152.899   31.373  ?   ?  0.000000 31.37291 
1 1 1    3   12   42 o   66.823   27.871   4.0390   8.0232  -7.6245   11.350   15.689   11.343   59.047   27.948   96.230   35.066 -37.18362 44.84077 
1 1 1    3   12   43 o   52.438   25.085  -8.6108   9.6483 -29.7000   18.257  -0.4380   11.365   59.613   29.694   66.330   30.177 -6.717083 42.33665 
1 1 1    3   12   44 o   71.432   30.014   5.9266   9.4091   4.6560   18.092   6.3977   11.016   80.735   37.229   74.584   31.949 6.151131 49.05820 
1 1 1    3   12   45 o   57.020   27.351  -8.2676   11.645 -19.3300   15.481   6.1520   17.674   57.736   28.509   80.082   36.880 -22.34617 46.61414 
1 1 1    3   12   46 f   37.626   18.983 -23.2284   8.7056 -31.0600   13.623 -17.8234   11.318   47.299   23.848   48.416   23.992 -1.116440 33.82781 
1 1 1    3   12   47 o   73.817   29.702   9.1051   8.7088   31.498   12.720 -10.6509   11.948  120.299   37.116   54.089   26.361 66.20987 45.52408 
1 1 1    3   13    0 o  1033.63   12.112  1389.48   32.427  1425.73   46.805  1356.01   44.969  1044.78   17.295  1019.04   17.036 25.74042 24.27637 
1 1 1    3   13    1 o  965.471   11.669  1211.98   29.182  1259.97   42.411  1168.83   40.217  982.407   16.666  946.327   16.406 36.07983 23.38659 
1 1 1    3   13    2 o  472.124   9.4278  289.453   11.530  289.910   16.380  289.004   16.232  471.862   13.401  471.143   13.300 0.7193298 18.88116 
1 1 1    3   13    3 o  182.887   12.866   43.752   6.0563   35.302   8.3174   53.289   8.8360  162.892   20.141  201.229   17.114 -38.33719 26.43046 
1 1 1    3   13    4 o  539.879   9.6558  378.624   13.503  392.389   19.375  365.623   18.830  548.794   13.629  529.725   13.723 19.06927 19.34098 
1 1 1    3   13    5 o   68.058   23.646   5.5104   5.1002   18.849   7.6837  -4.9955   6.8191  117.129   26.003   49.895   22.952 67.23393 34.68383 
1 1 1    3   13    6 o  331.790   9.9384  143.045   8.5414  148.922   12.238  137.463   11.927  337.995   13.978  324.700   14.181 13.29556 19.91162 
1 1 1    3   13    7 o  187.165   13.568   45.875   6.5332   42.460   9.3158   49.179   9.1647  178.737   20.491  192.933   18.568 -14.19521 27.65241 
1 1 1    3   13    8 o  451.392   9.8253  264.652   11.488  259.547   16.383  269.590   16.114  446.327   14.171  454.973   13.673 -8.645996 19.69149 
1 1 1    3   13    9 f  580.389   9.9994  437.396   15.033  458.812   21.786  417.932   20.770  593.661   14.168  566.599   14.152 27.06104 20.02469 
1 1 1    3   13   10 o  170.289   14.830   38.017   6.4762   30.002   8.9375   46.877   9.3973  149.496   23.884  188.492   19.530 -38.99577 30.85241 
1 1 1    3   13   11 o  308.235   13.303  123.437   10.621  133.100   19.680  119.466   12.616  318.066   24.065  302.587   16.155 15.47867 28.98443 
1 1 1    3   13   12 o  314.758   15.898  129.113   12.920  127.900   18.790  130.200   17.794  312.146   23.410  315.211   21.930 -3.064789 32.07698 
1 1 1    3   13   13 o  496.083   11.859  319.293   15.239  321.200   27.862  318.478   18.202  496.548   21.662  495.263   14.189 1.285065 25.89533 
1 1 1    3   13   14 o  404.878   10.400  212.569   10.907  204.300   24.019  214.717   12.242  395.237   23.568  406.857   11.616 -11.61981 26.27522 
1 1 1    3   13   15 o  224.499   15.839   65.775   9.1516   0.0000   0.0000   65.775   9.1516  ?   ?   224.499   15.839 0.000000 15.83893 
1 1 1    3   13   16 o  599.763   12.758  466.691   19.820  360.100   32.938  527.197   24.816  525.662   24.190  637.244   15.034 -111.5821 28.48113 
1 1 1    3   13   17 o  512.026   11.146  340.010   14.783  336.600   32.820  340.878   16.558  508.079   24.938  512.592   12.471 -4.512939 27.88195 
1 1 1    3   13   18 o  701.554   11.057  638.352   20.093  660.800   41.201  631.346   23.016  712.227   22.333  697.532   12.738 14.69482 25.71005 
1 1 1    3   13   19 o  516.369   10.683  345.834   14.289  326.600   30.283  351.343   16.206  500.439   23.362  520.365   12.023 -19.92566 26.27410 
1 1 1    3   13   20 o  207.717   15.942   56.405   8.5120   35.800   20.378   60.760   9.3684  161.809   46.285  215.510   16.918 -53.70137 49.28004 
1 1 1    3   13   21 o   51.822   22.644  -1.2357   5.7576   1.4728   7.2799  -5.7598   9.4087   64.517   26.698   60.350   27.457 4.166161 38.29686 
1 1 1    3   13   22 o  339.169   12.837  149.409   11.278  149.835   13.935  148.600   19.201  339.402   15.851  336.607   22.145 2.795258 27.23347 
1 1 1    3   13   23 o  276.552   12.700   99.362   9.0979  108.822   12.554   88.900   13.203  288.592   16.868  260.290   19.729 28.30212 25.95672 
1 1 1    3   13   24 o  421.484   12.465  230.861   13.609  226.836   16.895  238.300   22.968  417.392   15.626  426.943   20.768 -9.551544 25.99041 
1 1 1    3   13   25 f  601.897   23.304  475.600   36.333  475.600   36.333   0.0000   0.0000  601.897   23.304  ?   ?  0.000000 23.30378 
1 1 1    3   13   26 o  478.288   10.419  297.227   12.909  308.543   18.741  287.011   17.806  486.503   14.872  469.266   14.649 17.23694 20.87467 
1 1 1    3   13   27 o   93.916   30.948   11.384   8.7307   12.650   12.453   10.160   12.244  103.023   36.847   97.164   36.250 5.859360 51.68927 
1 1 1    3   13   28 o  197.591   15.950   51.438   8.0939   58.908   11.803   44.807   11.120  210.019   22.024  182.271   24.147 27.74730 32.68283 
1 1 1    3   13   29 o   79.560   27.133   7.9541   6.7042   7.3275   9.7836   8.5088   9.2051   84.651   32.222   86.232   31.563 -1.581551 45.10580 
1 1 1    3   13   30 o  251.163   13.827   82.893   8.9609   81.225   13.107   84.357   12.279  246.426   20.727  251.804   18.964 -5.378693 28.09333 
1 1 1    3   13   31 o  214.212   14.411   60.549   7.9496   61.591   11.030   59.423   11.467  214.212   20.114  209.899   21.390 4.312332 29.36184 
1 1 1    3   13   32 o  114.509   24.760   18.411   7.1302   9.8636   10.455   25.843   9.7494   90.735   33.567  134.711   28.812 -43.97622 44.23626 
1 1 1    3   13   33 o  145.729   18.212   28.709   6.7248   18.740   9.1843   40.231   9.8735  113.651   30.543  171.035   22.858 -57.38363 38.14912 
1 1 1    3   13   34 o  222.457   14.393   65.696   8.2490   62.652   12.424   68.096   11.032  213.345   22.836  224.426   19.160 -11.08127 29.80926 
1 1 1    3   13   35 o   98.080   29.044   14.036   7.9014   6.9349   9.4052   31.070   14.567   80.214   31.312  140.306   38.786 -60.09190 49.84755 
1 1 1    3   13   36 o   43.790   21.000  -8.7542   6.8569  -6.0606  10.0000 -11.1442   9.4200   59.286   27.457   51.576   24.702 7.710068 36.93384 
1 1 1    3   13   37 o  151.571   26.053   33.461   9.8602   40.320   14.096   26.890   13.798  160.044   34.979  127.804   38.503 32.24018 52.01915 
1 1 1    3   13   38 o   70.214   25.773   6.2678   6.1439   4.6008   8.2067   8.3936   9.2672   70.517   28.669   81.342   31.266 -10.82535 42.42034 
1 1 1    3   13   39 o   87.094   26.924   11.370   6.6899   9.9881   10.761   12.241   8.5412   86.264   33.542   90.019   30.626 -3.754852 45.42047 
1 1 1    3   13   40 o  108.208   27.963   18.206   7.8941   8.8630   11.267   27.217   11.064   83.634   33.737  128.957   32.989 -45.32288 47.18534 
1 1 1    3   13   41 o   81.642   29.289   10.002   7.8737   3.5772   10.723   17.518   11.598   72.206   31.231  101.094   35.624 -28.88752 47.37532 
1 1 1    3   13   42 o  116.290   25.771   21.107   7.5588   19.097   9.8698   23.957   11.755  105.046   32.740  114.866   35.719 -9.820709 48.45424 
1 1 1    3   13   43 f   61.091   26.584   1.9834   7.8643   0.1411   11.496   3.6037   10.782   66.688   30.344   70.123   30.804 -3.434982 43.23911 
1 1 1    3   13   44 o   63.042   29.926  -5.6436   13.201 -13.6600   19.821   0.7459   17.696   68.594   33.542   75.692   35.537 -7.097534 48.86675 
1 1 1    3   13   45 o   61.998   28.480  -0.4404   10.450   15.850   20.050  -6.5154   12.244   89.189   40.381   59.420   28.379 29.76876 49.35601 
1 1 1    3   13   46 o   49.330   23.986 -10.1224   9.7376 -38.3700   15.445   8.5140   12.545   47.996   24.336   75.757   33.254 -27.76041 41.20765 
1 1 1    3   13   47 o   63.039   27.532   4.2417   8.5026   5.6202   11.642   2.6660   12.447   69.065   31.066   66.387   30.706 2.678589 43.67953 
1 1 1    3   14    0 o  487.510   9.6562  308.805   12.194  307.367   17.301  310.224   17.189  485.571   13.755  487.858   13.602 -2.286560 19.34483 
1 1 1    3   14    1 o  326.521   10.185  138.578   8.6145  145.135   12.157  131.966   12.209  333.616   14.068  318.003   14.821 15.61398 20.43467 
1 1 1    3   14    2 o  120.794   19.169   19.589   5.7976   23.363   8.1421   15.707   8.2573  130.863   24.930  106.820   29.067 24.04336 38.29388 
1 1 1    3   14    3 f  440.761   9.7580  252.424   11.141  259.430   15.888  245.646   15.626  446.128   13.748  434.085   13.897 12.04355 19.54869 
1 1 1    3   14    4 o  320.991   10.261  133.908   8.5316  127.601   12.112  140.121   12.020  312.734   14.951  327.842   14.154 -15.10803 20.58848 
1 1 1    3   14    5 o  585.187   9.8718  444.875   14.964  440.815   21.139  448.951   21.185  581.606   14.032  586.974   13.933 -5.368103 19.77438 
1 1 1    3   14    6 o  251.625   11.691   82.329   7.6199   89.054   10.986   76.096   10.578  260.706   16.352  240.784   17.070 19.92149 23.63813 
1 1 1    3   14    7 o  615.803   10.159  492.433   16.205  495.498   23.092  489.459   22.745  616.887   14.451  613.146   14.321 3.741516 20.34542 
1 1 1    3   14    8 o  456.302   14.074  270.850   16.635   0.0000   0.0000  270.850   16.635  ?   ?   456.302   14.074 0.000000 14.07421 
1 1 1    3   14    9 o  112.216   26.991   17.187   7.7498   12.140   14.778   19.102   9.1017  107.350   39.870  118.185   29.752 -10.83520 49.74673 
1 1 1    3   14   10 o  189.053   23.822   47.426   11.407   46.790   17.066   47.940   15.335  184.967   36.913  188.230   32.635 -3.263184 49.27087 
1 1 1    3   14   11 o  1053.32   12.554  1440.04   34.252  1450.49   48.641  1429.77   48.240  1055.99   17.782  1048.42   17.763 7.565308 25.13463 
1 1 1    3   14   12 o  399.724   10.845  207.236   11.228  217.749   16.652  198.470   15.205  409.416   15.702  390.922   15.016 18.49387 21.72635 
1 1 1    3   14   13 f  557.091   10.461  402.454   15.095  399.860   21.739  404.869   20.977  554.914   15.124  558.438   14.501 -3.523987 20.95286 
1 1 1    3   14   14 o  301.325   15.296  118.201   11.899   0.0000   0.0000  118.201   11.899  ?   ?   301.325   15.296 0.000000 15.29564 
1 1 1    3   14   15 o  390.780   13.645  198.185   13.812  153.200   25.240  217.415   16.503  341.194   28.829  409.175   15.570 -67.98010 32.76465 
1 1 1    3   14   16 o  723.939   11.302  679.752   21.194  681.300   43.016  679.256   24.355  723.135   22.965  723.507   12.996 -0.3717041 26.38692 
1 1 1    3   14   17 o  239.831   13.701   74.906   8.4761   70.060   21.928   75.758   9.1904  227.569   38.577  241.086   14.788 -13.51741 41.31472 
1 1 1    3   14   18 o  595.415   10.851  459.862   16.735  401.200   33.963  478.672   19.232  554.549   23.644  607.345   12.225 -52.79553 26.61730 
1 1 1    3   14   19 o  629.801   10.825  514.578   17.660  536.100   37.044  508.249   20.089  641.103   22.307  625.753   12.394 15.34991 25.51877 
1 1 1    3   14   20 f  442.168   11.413  253.735   13.071  248.300   28.281  255.212   14.740  434.982   25.208  443.333   12.836 -8.350403 28.28816 
1 1 1    3   14   21 o  165.604   20.896   36.342   8.7641   37.160   21.341   36.176   9.6121  164.226   47.481  164.798   23.156 -0.5716400 52.82633 
1 1 1    3   14   22 f  363.209   17.572  171.882   16.532  182.000   25.983  165.000   21.429  371.253   27.208  354.283   23.484 16.96982 35.94149 
1 1 1    3   14   23 o  181.520   21.324   43.671   9.8354   43.671   9.8354   0.0000   0.0000  181.520   21.324  ?   ?  0.000000 21.32408 
1 1 1    3   14   24 o  159.662   46.447   35.620   20.365   35.620   20.365   0.0000   0.0000  159.662   46.447  ?   ?  0.000000 46.44692 
1 1 1    3   14   25 o  204.183   22.477   55.418   11.691   55.418   11.691   0.0000   0.0000  204.183   22.477  ?   ?  0.000000 22.47658 
1 1 1    3   14   26 o  201.660   17.442   53.604   9.0214   51.750   14.542   54.764   11.502  194.931   29.743  202.755   22.267 -7.824646 37.15469 
1 1 1    3   14   27 o   57.003   25.628  -3.5064   7.9128  -0.7390   10.153  -7.7870   12.628   70.109   30.356   68.745   31.479 1.363953 43.73136 
1 1 1    3   14   28 o   57.992   24.848  -0.0335   6.6663  -2.3878   9.9901   1.8563   8.9504   66.615   29.441   70.459   29.417 -3.844009 41.61853 
1 1 1    3   14   29 o   75.866   25.134   7.4336   5.7554   5.5490   7.7976   9.6891   8.5302   74.985   28.713   87.787   30.576 -12.80229 41.94440 
1 1 1    3   14   30 o  291.636   12.457  111.325   9.4100  124.722   14.518  101.618   12.357  306.286   18.384  276.771   17.324 29.51547 25.26050 
1 1 1    3   14   31 o   93.536   26.938   12.273   6.8814   10.749   9.9731   13.658   9.5071   92.163   32.974   99.352   32.274 -7.188248 46.13984 
1 1 1    3   14   32 o  225.957   14.265   67.542   8.3064   80.292   12.413   57.202   11.178  244.160   19.797  205.179   21.345 38.98108 29.11212 
1 1 1    3   14   33 o   57.172   24.412   0.5030   6.3951   2.4726   9.5881  -1.0754   8.5833   72.097   30.296   62.426   27.452 9.670849 40.88401 
1 1 1    3   14   34 o   75.695   27.451   7.1075   6.9397   12.172   9.8116   2.0371   9.8168   93.846   32.786   71.462   30.374 22.38445 44.69297 
1 1 1    3   14   35 o  106.917   29.262   17.024   8.3400   2.8600   18.680   20.550   9.3205   91.464   40.349  116.919   30.468 -25.45473 50.56004 
1 1 1    3   14   36 o   74.474   26.863   7.2059   6.6324   14.084   10.571   2.7402   8.5176   97.490   34.032   67.987   28.561 29.50323 44.42904 
1 1 1    3   14   37 o   94.451   26.424   13.316   6.7188   10.547   8.2007   18.970   11.718   85.740   29.973  108.795   35.854 -23.05460 46.73204 
1 1 1    3   14   38 o  120.895   25.084   21.660   7.5979   25.149   11.295   18.775   10.268  124.423   34.053  108.124   33.345 16.29840 47.66054 
1 1 1    3   14   39 o   55.445   24.903  -1.5509   7.4503   5.9422   10.560  -8.9783   10.513   77.199   32.067   56.223   26.694 20.97589 41.72393 
1 1 1    3   14   40 o   77.567   27.536   8.7547   6.9418   11.600   8.9402   4.4346   11.016   86.839   31.204   74.494   31.930 12.34552 44.64557 
1 1 1    3   14   41 f  133.537   24.095   26.953   8.0280   35.587   11.578   18.958   11.141  146.963   31.369  103.646   34.979 43.31683 46.98449 
1 1 1    3   14   42 o   56.821   25.786  -1.2892   8.2333   0.9884   12.130  -3.2348   11.211   69.325   31.397   62.256   28.916 7.069534 42.68354 
1 1 1    3   14   43 o   75.859   29.920   8.6587   8.6645   8.9257   12.169   8.3843   12.340   79.453   33.795   78.751   33.776 0.7019119 47.77975 
1 1 1    3   14   44 o   57.945   27.971  -9.4745   12.637   9.1310   18.912 -24.4800   16.984   82.885   38.163   57.585   28.677 25.30018 47.73684 
1 1 1    3   14   45 o   51.876   24.462  -4.3768   8.5473  -5.0780   17.693  -4.1633   9.7620   68.709   33.150   55.401   26.129 13.30845 42.20963 
1 1 1    3   14   46 o   66.750   29.550   4.8030   10.106  -1.8621   12.623   16.700   16.865   62.550   29.566   85.467   37.988 -22.91653 48.13768 
1 1 1    3   14   47 o   51.628   24.526  -3.9607   8.8991  -3.9961   12.843  -3.9281   12.342   59.427   28.563   58.675   28.148 0.7520523 40.10210 
1 1 1    3   15    0 o  453.978   9.9118  267.709   11.656  273.181   16.805  262.636   16.180  457.895   14.168  449.019   13.911 8.876251 19.85618 
1 1 1    3   15    1 o  415.975   10.017  224.764   10.793  221.774   15.472  227.598   15.064  412.543   14.479  418.022   13.912 -5.479401 20.07916 
1 1 1    3   15    2 o  250.504   11.745   81.591   7.6212   73.132   10.903   89.673   10.657  235.882   17.980  261.740   15.793 -25.85794 23.93096 
1 1 1    3   15    3 o   65.780   24.614   4.3103   5.6535   8.8063   8.3112   0.4385   7.7128   86.131   30.170   63.714   26.994 22.41747 40.48360 
1 1 1    3   15    4 o  239.533   12.355   74.791   7.6398   65.891   11.206   82.521   10.443  223.661   19.538  251.094   16.142 -27.43234 25.34340 
1 1 1    3   15    5 o  240.714   12.816   75.541   7.9624   96.593   12.113   59.521   10.566  271.619   17.306  212.594   19.401 59.02475 25.99819 
1 1 1    3   15    6 o  464.369   11.705  280.087   14.079  273.800   23.998  283.387   17.385  457.825   20.236  466.756   14.379 -8.931183 24.82483 
1 1 1    3   15    7 o  299.307   16.596  116.967   12.816  123.000   18.678  111.600   17.617  305.689   23.776  291.134   23.564 14.55505 33.47445 
1 1 1    3   15    8 o  441.620   11.971  253.176   13.694  251.073   16.899  257.200   23.371  439.508   14.844  444.150   20.314 -4.642273 25.15953 
1 1 1    3   15    9 o  415.228   10.654  223.664   11.459  216.425   16.310  230.719   16.101  408.092   15.430  421.414   14.750 -13.32227 21.34588 
1 1 1    3   15   10 o  611.936   10.570  485.689   16.755  481.694   23.896  489.551   23.498  608.952   15.150  613.942   14.776 -4.989990 21.16191 
1 1 1    3   15   11 o  199.828   15.013   52.148   7.7141   53.077   10.664   51.128   11.172  200.857   20.799  196.859   22.303 3.997681 30.49610 
1 1 1    3   15   12 o   81.762   29.973   7.0126   8.3055   1.4620   17.514   8.6230   9.4337   96.686   40.804   88.740   32.033 7.946411 51.87593 
1 1 1    3   15   13 o  670.258   15.687  583.465   27.236  566.500   38.887  599.800   38.158  659.426   22.766  678.711   21.704 -19.28528 31.45429 
1 1 1    3   15   14 o  908.957   12.221  1071.88   28.774  1069.98   40.990  1073.73   40.402  907.349   17.440  908.990   17.159 -1.641418 24.46624 
1 1 1    3   15   15 o  236.936   16.455   73.289   10.036  101.900   24.548   67.547   10.998  276.380   35.080  227.121   18.864 49.25903 39.83046 
1 1 1    3   15   16 o  572.382   10.922  424.959   16.193  433.200   34.938  422.704   18.275  576.349   23.402  570.741   12.361 5.608337 26.46640 
1 1 1    3   15   17 f  247.665   14.128   79.915   9.0258   50.760   22.521   85.494   9.8516  191.520   45.979  256.107   14.915 -64.58699 48.33750 
1 1 1    3   15   18 o  217.135   15.364   61.581   8.5855   66.500   18.653   60.259   9.6707  222.421   33.409  214.502   17.559 7.918869 37.74216 
1 1 1    3   15   19 o  462.605   11.177  277.728   13.394  247.100   29.234  285.865   15.068  433.630   26.149  469.223   12.397 -35.59256 28.93906 
1 1 1    3   15   20 o  146.558   24.480   28.851   8.9655   31.700   19.414   28.079   10.108  152.497   45.612  143.830   28.138 8.667450 53.59275 
1 1 1    3   15   21 f   44.703   21.766 -14.4171   8.0912   18.840   20.514 -20.5439   8.8051  128.982   47.133   42.763   21.185 86.21854 51.67546 
1 1 1    3   15   22 o   53.858   24.957  -6.9407   8.2785  -2.7600   21.727  -7.6507   8.9539  100.933   44.048   55.790   25.888 45.14321 51.09208 
1 1 1    3   15   23 o  421.425   26.857  235.100   29.165  235.100   29.165   0.0000   0.0000  421.425   26.857  ?   ?  0.000000 26.85738 
1 1 1    3   15   24 o  140.021   36.339   27.333   13.294   18.500   21.857   32.520   16.749  129.012   48.374  152.137   41.397 -23.12480 63.66908 
1 1 1    3   15   25 o  378.300   11.391  186.172   11.162  216.691   16.161  158.333   15.436  407.405   15.314  347.903   17.128 59.50110 22.97630 
1 1 1    3   15   26 o   69.751   28.285   2.9633   7.9641   5.2430   10.294  -0.4351   12.569   81.814   32.504   78.389   33.858 3.424843 46.93479 
1 1 1    3   15   27 o   72.714   26.345   5.9904   6.3897   10.392   10.664   3.5249   7.9810   93.845   34.030   70.868   28.463 22.97696 44.36391 
1 1 1    3   15   28 o   77.725   27.823   7.1554   7.1016   12.155   10.606   3.0922   9.5613   97.579   34.087   74.604   30.707 22.97448 45.87923 
1 1 1    3   15   29 o  204.809   15.204   55.467   8.0084   72.955   11.188   37.089   11.469  233.918   18.618  162.918   28.197 70.99950 33.78962 
1 1 1    3   15   30 o  223.367   14.995   66.008   8.6254   76.789   12.515   56.254   11.904  238.931   20.418  203.197   23.023 35.73334 30.77207 
1 1 1    3   15   31 o  104.519   27.115   15.582   7.4037   16.285   11.104   15.019   9.9342  107.020   34.885  102.995   32.944 4.025116 47.98192 
1 1 1    3   15   32 o   70.219   25.473   5.8746   5.9762   10.228   7.9111   0.0883   9.1207   87.030   29.475   66.344   28.749 20.68540 41.17367 
1 1 1    3   15   33 o   86.243   27.571   10.424   6.9584   28.996   10.555  -3.8511   9.2540  140.700   29.884   60.199   27.327 80.50109 40.49437 
1 1 1    3   15   34 o  148.840   33.459   33.728   12.586   40.340   19.386   28.910   16.548  153.936   45.471  132.676   42.528 21.25960 62.25924 
1 1 1    3   15   35 o  184.134   17.161   46.131   8.0907   52.573   12.022   40.798   10.939  191.959   24.754  168.056   25.965 23.90242 35.87406 
1 1 1    3   15   36 o   74.573   27.897   6.9922   7.2608   1.7920   8.8527   17.680   12.691   66.709   28.610  105.766   37.266 -39.05652 46.98127 
1 1 1    3   15   37 o  153.617   20.301   33.255   7.8804   33.347   11.382   33.170   10.922  146.472   30.967  147.060   29.694 -0.5874481 42.90296 
1 1 1    3   15   38 o   65.807   26.914   3.8831   7.2863   16.945   10.232  -9.5564   10.379  102.290   33.494   55.279   26.325 47.01085 42.60091 
1 1 1    3   15   39 f  102.932   27.205   16.496   7.3633   8.1471   10.065   26.110   10.801   79.993   32.021  125.641   32.825 -45.64794 45.85693 
1 1 1    3   15   40 o  109.564   26.458   18.779   7.4240   18.958   11.756   18.661   9.5748  103.584   35.905  105.169   32.160 -1.585075 48.20205 
1 1 1    3   15   41 o  196.685   18.242   55.055   9.1880   50.129   13.468   59.343   12.566  174.036   31.013  196.599   25.260 -22.56238 39.99831 
1 1 1    3   15   42 o   46.905   22.302  -6.2255   7.3899 -10.2985   9.4773   0.0921   11.803   49.694   24.045   66.710   30.505 -17.01542 38.84264 
1 1 1    3   15   43 o   72.352   30.388   6.9138   9.6381   1.8595   11.348   20.000   18.259   67.047   30.366   94.947   40.910 -27.89970 50.94831 
1 1 1    3   15   44 o   76.421   31.237   9.4883   9.8081   21.480   19.597   5.4805   11.329   93.671   41.325   70.965   31.358 22.70656 51.87551 
1 1 1    3   15   45 o   56.691   27.341  -7.4960   12.008   0.0000   0.0000  -7.4960   12.008  ?   ?    56.691   27.341 0.000000 27.34100 
1 1 1    3   15   46 o   63.434   29.047   2.5729   10.752   5.8000   20.452   1.3401   12.640   74.527   35.877   64.608   30.238 9.918877 46.91960 
1 1 1    3   16    0 o  318.441   15.289  131.985   12.612  125.100   17.948  138.700   17.725  308.320   22.631  325.039   21.168 -16.71927 30.98816 
1 1 1    3   16    1 o  563.489   14.180  412.954   20.698  425.000   29.714  401.600   28.848  570.450   20.109  554.529   20.083 15.92053 28.42010 
1 1 1    3   16    2 o  122.975   29.032   20.699   9.0994   26.850   12.907   14.620   12.830  139.589   35.588  109.183   37.529 30.40550 51.71948 
1 1 1    3   16    3 o  201.273   21.229   53.489   10.901   56.710   16.383   50.930   14.603  204.998   31.890  194.507   29.944 10.49059 43.74488 
1 1 1    3   16    4 o  241.546   15.377   76.188   9.5712   81.112   12.407   68.950   15.043  248.676   19.414  227.946   25.939 20.72998 32.39950 
1 1 1    3   16    5 o  359.466   12.694  167.800   11.819  188.673   14.966  133.200   19.268  380.952   15.166  318.394   23.529 62.55734 27.99365 
1 1 1    3   16    6 o  566.883   10.407  416.889   15.282  426.797   21.903  407.490   21.333  573.106   14.754  559.998   14.707 13.10736 20.83215 
1 1 1    3   16    7 o  289.801   12.235  109.002   9.1847  106.781   13.597  110.865   12.456  285.864   18.462  291.547   16.562 -5.682861 24.80174 
1 1 1    3   16    8 o  552.216   10.578  395.525   15.130  420.490   22.081  373.429   20.774  568.958   14.983  536.177   14.958 32.78046 21.17109 
1 1 1    3   16    9 o  551.473   10.505  394.426   15.006  393.450   21.286  395.389   21.157  550.405   14.930  551.773   14.803 -1.367920 21.02449 
1 1 1    3   16   10 f  341.678   16.890  151.719   14.948  152.900   22.599  150.800   19.932  341.288   25.752  339.414   22.803 1.873627 34.39720 
1 1 1    3   16   11 o  196.476   25.313   51.188   12.583   46.060   17.320   56.920   18.311  183.822   37.641  205.256   35.739 -21.43410 51.90491 
1 1 1    3   16   12 o  281.637   15.637  103.341   11.363  111.336   16.381   95.927   15.774  291.573   21.848  270.392   22.733 21.18076 31.52995 
1 1 1    3   16   13 o  162.454   28.084   35.465   11.390   51.653   17.226   22.887   15.184  195.362   35.341  131.600   40.542 63.76231 53.78322 
1 1 1    3   16   14 o  312.337   14.667  126.690   11.866  111.332   17.461  139.868   16.175  291.277   23.339  327.316   19.161 -36.03806 30.19668 
1 1 1    3   16   15 o  353.752   14.638  162.542   13.414  161.500   25.611  162.937   15.746  350.098   28.489  353.990   17.172 -3.891357 33.26415 
1 1 1    3   16   16 o  163.532   18.748   35.261   7.7982   7.8440   21.248   39.528   8.3832  113.950   46.203  173.227   18.994 -59.27699 49.95499 
1 1 1    3   16   17 o  657.724   10.905  561.326   18.579  596.700   40.272  551.762   20.941  675.971   23.000  651.919   12.401 24.05145 26.12996 
1 1 1    3   16   18 o  432.595   11.620  242.930   13.021  273.400   29.604  235.622   14.499  456.329   25.142  425.902   13.142 30.42715 28.36972 
1 1 1    3   16   19 o  295.329   13.409  113.342   10.258  109.600   25.718  114.050   11.186  285.509   35.544  296.159   14.581 -10.65024 38.41912 
1 1 1    3   16   20 o  222.551   17.360   64.931   9.9282   5.7140   23.902   77.278   10.914  115.809   48.187  242.889   17.464 -127.0800 51.25401 
1 1 1    3   16   21 o   98.095   30.134   12.751   8.3955   4.1830   18.079   15.107   9.4796  100.907   41.941  106.165   31.899 -5.258476 52.69321 
1 1 1    3   16   22 o  381.743   29.033  193.900   28.493  193.900   28.493   0.0000   0.0000  381.743   29.033  ?   ?  0.000000 29.03287 
1 1 1    3   16   23 o  416.784   12.304  225.991   13.283  211.300   29.744  229.651   14.846  397.974   29.054  419.928   13.648 -21.95444 32.09964 
1 1 1    3   16   24 o  278.012   19.722  101.937   14.110  112.900   26.036   97.378   16.790  287.043   35.794  270.455   24.223 16.58829 43.22008 
1 1 1    3   16   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   16   26 o  141.894   27.135   27.832   9.6100   85.340   25.150   18.000   10.399  244.143   41.237  113.543   33.236 130.6002 52.96350 
1 1 1    3   16   27 o   67.655   25.918   4.3966   6.3550   4.0701   8.0977   4.9200   10.254   72.241   28.788   80.299   32.258 -8.057655 43.23536 
1 1 1    3   16   28 o  183.860   17.706   45.094   8.3282   35.380   12.220   53.520   11.381  157.922   30.979  198.769   22.500 -40.84718 38.28795 
1 1 1    3   16   29 o  122.863   22.513   20.875   6.9007   25.630   11.136   17.911   8.7922  132.905   32.596  111.843   29.808 21.06190 44.17056 
1 1 1    3   16   30 o  148.597   18.938   29.901   7.1235   24.940   10.835   33.677   9.4540  130.683   32.214  155.838   24.206 -25.15498 40.29437 
1 1 1    3   16   31 o   91.796   26.972   11.949   6.8374   18.297   10.867   7.7902   8.7968  111.619   34.284   81.817   30.686 29.80235 46.01105 
1 1 1    3   16   32 o  115.827   24.329   19.086   7.0672   10.406   10.066   27.525   9.9246   89.909   32.991  137.608   28.769 -47.69869 43.77323 
1 1 1    3   16   33 o  137.519   25.195   27.072   8.6439   23.177   10.182   37.120   16.356  123.982   31.609  151.352   40.794 -27.37006 51.60698 
1 1 1    3   16   34 o   68.735   27.010   4.8110   7.0366  -4.4274   10.434   12.518   9.5301   62.551   28.632   93.081   32.324 -30.53023 43.18101 
1 1 1    3   16   35 o  103.841   26.225   16.066   7.0559   20.610   10.397   12.185   9.6071  114.273   33.170   91.406   32.399 22.86712 46.36755 
1 1 1    3   16   36 o   70.331   27.823   5.3485   7.5135   7.8645   9.5392   1.2370   12.195   80.135   31.462   73.844   32.587 6.291298 45.29622 
1 1 1    3   16   37 o   72.814   27.122   6.9375   6.8489   3.1916   9.8429   10.453   9.5360   70.837   30.268   85.491   31.972 -14.65378 44.02692 
1 1 1    3   16   38 o   61.263   25.495   2.8185   6.6922  -1.0671   10.114   5.8441   8.9251   64.164   28.899   73.347   29.868 -9.183060 41.56034 
1 1 1    3   16   39 o   76.735   27.933   8.5613   7.1952   26.060   11.473  -2.7832   9.2377  122.571   34.614   58.652   26.882 63.91839 43.82682 
1 1 1    3   16   40 o   82.041   28.360   10.640   7.3319   15.481   9.8989   4.7564   10.913   94.771   32.941   73.021   31.544 21.74976 45.60903 
1 1 1    3   16   41 o   65.722   27.798   4.1533   8.1577   13.254   11.570  -4.8421   11.503   87.558   34.562   60.665   28.536 26.89279 44.82038 
1 1 1    3   16   42 o  108.804   30.266   20.884   8.8407   33.115   12.726   9.4769   12.291  130.075   36.359   79.455   33.883 50.62029 49.69940 
1 1 1    3   16   43 o   55.474   26.894 -10.1104   12.000   0.9311   19.518 -16.8200   15.215   75.339   35.939   57.685   28.442 17.65450 45.83212 
1 1 1    3   16   44 o   54.473   24.879  -0.5896   7.8208  -3.6870   11.752   1.8729   10.478   59.767   28.332   63.699   28.978 -3.931488 40.52679 
1 1 1    3   16   45 o   53.983   25.494  -3.3284   9.3484 -23.3249   11.184   43.050   17.032   43.882   22.058  124.526   43.214 -80.64438 48.51765 
1 1 1    3   16   46 o   55.847   26.436  -2.1566   10.160 -22.8200   18.546   6.7045   12.145   56.591   28.440   68.645   31.216 -12.05399 42.22918 
1 1 1    3   17    0 o  387.564   10.735  194.881   10.777  191.989   15.344  197.697   15.139  384.319   15.413  390.028   14.985 -5.709106 21.49712 
1 1 1    3   17    1 o  381.948   10.754  189.273   10.639  192.223   14.913  186.215   15.183  384.598   14.969  378.495   15.486 6.103271 21.53845 
1 1 1    3   17    2 o  474.058   10.546  291.541   12.950  307.695   18.686  276.611   17.964  486.623   14.824  461.367   15.031 25.25574 21.11150 
1 1 1    3   17    3 f  320.653   17.333  134.126   14.343  134.126   14.343   0.0000   0.0000  320.653   17.333  ?   ?  0.000000 17.33265 
1 1 1    3   17    4 o  787.025   11.130  803.607   22.691  826.759   32.684  782.067   31.526  797.584   15.820  775.750   15.689 21.83441 22.28056 
1 1 1    3   17    5 o  202.998   15.372   53.844   8.0232   37.586   11.899   67.397   10.864  167.184   28.500  226.831   18.656 -59.64705 34.06260 
1 1 1    3   17    6 o  124.704   27.339   21.118   8.5874   25.120   15.234   19.255   10.397  136.667   40.291  119.225   32.688 17.44208 51.88333 
1 1 1    3   17    7 o  252.852   18.088   83.567   11.769   94.840   17.180   73.600   16.154  268.412   24.998  235.816   26.929 32.59515 36.74329 
1 1 1    3   17    8 o  256.462   21.145   86.229   13.922   70.600   20.079  100.700   19.320  229.262   34.913  276.248   27.359 -46.98557 44.35574 
1 1 1    3   17    9 o  378.444   14.230  185.952   13.950  179.407   16.852  200.200   24.865  371.488   17.512  390.945   24.681 -19.45691 30.26250 
1 1 1    3   17   10 o  107.338   32.542   15.208   9.8334   2.9904   14.722   25.051   13.213   91.460   37.917  135.702   36.705 -44.24162 52.77218 
1 1 1    3   17   11 o  527.675   12.216  361.293   16.697  362.472   23.927  360.173   23.311  528.022   17.494  526.390   17.097 1.632446 24.46102 
1 1 1    3   17   12 o  343.854   13.732  153.505   12.231  140.952   17.058  166.785   17.546  328.428   20.149  357.524   19.014 -29.09549 27.70400 
1 1 1    3   17   13 f  102.933   32.042   13.836   9.4566   14.292   14.003   13.454   12.822  110.821   39.133  106.965   37.474 3.855476 54.18181 
1 1 1    3   17   14 o  394.541   12.477  202.061   12.751  182.421   18.598  219.482   17.516  373.805   19.273  410.855   16.458 -37.05020 25.34439 
1 1 1    3   17   15 o  429.971   12.498  240.021   13.920  230.181   20.275  248.796   19.145  420.446   18.616  437.322   16.901 -16.87582 25.14369 
1 1 1    3   17   16 o  310.654   12.841  125.334   10.333  129.400   25.447  124.532   11.307  311.889   31.949  309.570   14.100 2.319427 34.92209 
1 1 1    3   17   17 o  315.417   13.244  129.262   10.821  120.600   22.714  131.805   12.307  301.414   29.470  318.368   14.923 -16.95328 33.03278 
1 1 1    3   17   18 o  196.902   18.933   51.026   9.5373   45.340   24.581   52.034   10.348  179.905   50.618  198.602   20.405 -18.69652 54.57593 
1 1 1    3   17   19 o  344.588   13.297  154.381   11.869  193.800   28.584  146.169   13.047  382.266   29.086  335.119   15.030 47.14670 32.73951 
1 1 1    3   17   20 o  556.159   18.447  403.904   26.576  359.200   36.389  455.000   38.904  521.381   27.037  588.095   25.539 -66.71356 37.19175 
1 1 1    3   17   21 o  199.492   46.825   56.590   23.781   56.590   23.781   0.0000   0.0000  199.492   46.825  ?   ?  0.000000 46.82486 
1 1 1    3   17   22 o  390.393   12.163  198.291   12.300  213.700   29.050  194.925   13.577  400.405   28.189  386.854   13.549 13.55072 31.27612 
1 1 1    3   17   23 f  309.618   13.651  124.983   10.948   87.440   26.410  132.775   12.031  249.118   42.449  318.978   14.561 -69.85963 44.87682 
1 1 1    3   17   24 o  431.651   16.204  243.975   18.117   0.0000   0.0000  243.975   18.117  ?   ?   431.651   16.204 0.000000 16.20361 
1 1 1    3   17   25 o  163.592   27.317   36.805   11.167   37.480   25.291   36.641   12.446  159.555   52.679  162.047   30.777 -2.492126 61.01059 
1 1 1    3   17   26 o   57.959   26.561  -5.6372   9.0152   12.750   24.525  -8.5099   9.6939  120.243   49.300   56.931   26.591 63.31215 56.01368 
1 1 1    3   17   27 o   93.863   31.217   11.799   8.8752   31.210   25.182   9.0460   9.4838  145.519   52.361   87.433   32.032 58.08598 61.38211 
1 1 1    3   17   28 o  163.694   22.867   36.717   9.4314   8.0820   24.947   41.492   10.187  112.694   48.171  174.057   23.171 -61.36369 53.45389 
1 1 1    3   17   29 o  110.792   24.496   17.309   6.8433   20.057   9.1093   13.749   10.368  117.797   29.825   99.839   33.743 17.95770 45.03473 
1 1 1    3   17   30 o  224.594   15.037   67.038   8.6977   77.223   13.222   59.269   11.548  237.973   21.688  208.244   21.728 29.72920 30.69989 
1 1 1    3   17   31 o  184.466   16.271   45.663   7.6948   55.449   11.740   38.293   10.188  200.088   23.074  165.159   24.563 34.92923 33.70102 
1 1 1    3   17   32 o  168.610   22.556   39.693   9.6046   36.097   11.605   47.510   17.111  156.705   29.677  173.355   39.044 -16.64949 49.04259 
1 1 1    3   17   33 o   67.396   27.440   3.7041   7.5313   8.8210   20.083   2.8668   8.1242   99.565   42.902   67.269   28.050 32.29597 51.25811 
1 1 1    3   17   34 o   60.034   24.557   2.6941   6.0674  -2.2195   9.1531   6.5455   8.1037   61.020   27.487   75.079   29.132 -14.05912 40.05232 
1 1 1    3   17   35 o  200.194   19.585   55.895   10.026   73.050   16.156   45.150   12.786  220.371   29.007  172.121   29.754 48.25005 41.55358 
1 1 1    3   17   36 o  188.310   16.304   48.629   7.8743   52.840   11.843   45.292   10.542  189.933   24.653  176.495   23.655 13.43832 34.16581 
1 1 1    3   17   37 o   87.052   27.847   11.658   7.0977   11.621   10.916   11.685   9.3420   88.449   33.949   87.587   31.837 0.8617401 46.54126 
1 1 1    3   17   38 o   69.932   27.721   5.8579   7.4721  -5.7640   10.687   16.971   10.451   59.274   27.761   99.983   33.877 -40.70892 43.79882 
1 1 1    3   17   39 o   78.973   29.592   9.3847   8.1766   0.7664   11.607   17.875   11.520   68.654   30.936   99.824   35.469 -31.17063 47.06496 
1 1 1    3   17   40 o  101.743   29.513   17.606   8.2331   21.193   11.175   13.346   12.176  106.312   35.012   88.041   35.228 18.27175 49.66751 
1 1 1    3   17   41 f   64.835   27.310   4.4253   7.8213   9.3259   10.746  -1.0951   11.405   78.184   32.402   63.719   29.444 14.46484 43.78193 
1 1 1    3   17   42 o   82.331   32.133   12.197   9.9036   8.5691   12.882   17.440   15.486   77.106   33.776   90.384   38.269 -13.27790 51.04268 
1 1 1    3   17   43 o   54.637   25.036  -0.8398   8.0063 -18.8372   12.283   12.456   10.557   49.633   24.663   81.386   32.718 -31.75367 40.97251 
1 1 1    3   17   44 o   87.368   32.337   15.636   9.7054   21.290   15.495   11.986   12.450   91.124   38.415   78.669   33.839 12.45525 51.19334 
1 1 1    3   17   45 o   54.146   24.915  -0.1063   8.0435   1.1783   10.468  -1.9577   12.568   60.424   28.022   60.402   28.821 0.2178955E-01 40.19794 
1 1 1    3   18    0 o  324.546   14.725  136.814   12.379  139.344   15.403  132.200   20.802  326.775   18.271  317.108   25.541 9.666809 31.40315 
1 1 1    3   18    1 o  446.938   15.973  259.591   18.492  262.200   26.745  257.200   25.598  447.761   23.138  443.605   22.348 4.156067 32.16861 
1 1 1    3   18    2 o  642.136   15.242  535.679   25.352  530.900   35.961  540.400   35.745  638.255   21.752  643.999   21.428 -5.744263 30.53331 
1 1 1    3   18    3 o  342.564   17.926  153.037   15.852  166.400   23.342  141.600   21.594  356.044   25.478  328.279   25.597 27.76532 36.11599 
1 1 1    3   18    4 o  591.311   12.595  453.777   19.292  435.578   23.305  493.400   34.387  579.022   15.538  615.368   21.573 -36.34576 26.58654 
1 1 1    3   18    5 o  1009.51   14.605  1323.52   38.192  1322.77   46.921  1325.00   65.745  1008.52   17.961  1007.36   25.196 1.158081 30.94221 
1 1 1    3   18    6 o  839.865   11.803  915.189   25.677  939.972   36.848  891.797   35.799  850.399   16.728  828.328   16.685 22.07159 23.62635 
1 1 1    3   18    7 o  399.323   12.438  206.931   12.866  200.216   18.860  212.775   17.596  392.318   18.559  404.595   16.789 -12.27722 25.02642 
1 1 1    3   18    8 o  489.948   12.294  311.503   15.602  301.848   22.304  320.755   21.833  481.776   17.872  496.735   16.968 -14.95956 24.64412 
1 1 1    3   18    9 o  613.673   12.052  488.674   19.158  499.489   27.704  478.763   26.521  619.810   17.256  606.866   16.871 12.94397 24.13292 
1 1 1    3   18   10 o  110.830   33.218   16.319   10.290   1.7373   15.238   28.540   13.950   90.859   38.188  144.400   37.098 -53.54038 53.24096 
1 1 1    3   18   11 o  430.848   12.314  240.935   13.743  243.616   19.559  238.320   19.314  432.772   17.448  428.045   17.419 4.726898 24.65480 
1 1 1    3   18   12 o  804.684   11.613  840.320   24.206  852.478   34.778  828.897   33.711  809.640   16.583  798.418   16.300 11.22137 23.25279 
1 1 1    3   18   13 o  676.088   11.438  593.234   20.031  611.420   29.054  576.756   27.655  685.632   16.359  665.969   16.031 19.66309 22.90468 
1 1 1    3   18   14 o  476.672   17.468  295.796   21.568  295.796   21.568   0.0000   0.0000  476.672   17.468  ?   ?  0.000000 17.46755 
1 1 1    3   18   15 o  795.080   11.912  820.839   24.532  825.629   35.326  816.377   34.095  796.307   17.126  791.955   16.620 4.351990 23.86517 
1 1 1    3   18   16 o  271.928   15.450   96.524   10.837   85.088   15.437  107.639   15.218  253.843   23.753  286.367   20.655 -32.52493 31.47737 
1 1 1    3   18   17 o  402.318   11.869  210.262   12.369  189.300   26.451  216.128   13.993  378.418   27.166  407.741   13.248 -29.32300 30.22418 
1 1 1    3   18   18 o  469.118   11.706  285.939   14.225  294.000   33.423  284.155   15.719  471.544   27.483  467.482   12.981 4.062286 30.39435 
1 1 1    3   18   19 o  197.986   35.638   53.871   17.605   53.220   24.914   54.520   24.880  193.103   49.560  195.505   49.175 -2.401764 69.81628 
1 1 1    3   18   20 o  343.592   18.768  154.894   16.640  107.400   28.260  180.100   20.587  279.082   40.256  369.828   21.584 -90.74582 45.67787 
1 1 1    3   18   21 o  487.614   13.514  309.778   17.069  217.800   30.585  351.380   20.570  403.423   29.473  518.892   15.304 -115.4685 33.20924 
1 1 1    3   18   22 o  378.303   12.661  186.467   12.407  139.700   28.986  196.956   13.728  319.213   35.665  388.612   13.637 -69.39886 38.18311 
1 1 1    3   18   23 o  313.068   18.781  129.340   15.160   0.0000   0.0000  129.340   15.160  ?   ?   313.068   18.781 0.000000 18.78138 
1 1 1    3   18   24 o  111.473   29.702   17.418   8.7311   20.610   24.900   16.970   9.3230  132.433   51.155  110.140   31.238 22.29255 59.93872 
1 1 1    3   18   25 o  307.861   19.185  125.950   15.223  165.100   29.550  111.805   17.762  344.136   33.577  287.901   24.037 56.23483 41.29390 
1 1 1    3   18   26 o  187.577   27.848   48.904   13.120   80.530   27.528   39.608   14.924  228.596   48.017  164.870   35.959 63.72549 59.98891 
1 1 1    3   18   27 o  106.252   32.317   16.105   9.6864   12.450   26.488   16.669   10.407  119.419   50.278  108.068   33.610 11.35017 60.47704 
1 1 1    3   18   28 o  122.546   27.139   21.423   8.3875   19.200   25.096   21.702   8.8992  124.689   50.333  122.886   28.509 1.803146 57.84601 
1 1 1    3   18   29 o   90.441   30.352   11.230   8.3880   14.990   22.557   10.626   9.0359  115.170   47.257   89.509   31.452 25.66083 56.76672 
1 1 1    3   18   30 o  139.516   24.386   27.492   8.4918   18.460   17.177   30.413   9.7692  113.864   42.846  145.699   26.875 -31.83553 50.57721 
1 1 1    3   18   31 o  136.870   36.105   29.219   12.985   24.000   21.974   32.020   16.097  123.788   47.988  140.065   41.450 -16.27706 63.41126 
1 1 1    3   18   32 o  170.812   23.035   41.204   9.9319   40.390   22.310   41.405   11.092  148.055   49.500  169.314   26.132 -21.25893 55.97452 
1 1 1    3   18   33 o  350.835   11.655  162.933   10.592  174.259   15.131  152.048   14.833  359.170   16.263  334.326   17.186 24.84418 23.66123 
1 1 1    3   18   34 o  189.156   18.945   49.743   9.1577   58.880   15.451   44.796   11.370  194.991   31.679  174.420   25.957 20.57124 40.95503 
1 1 1    3   18   35 o  105.915   26.726   17.166   7.3323   31.904   10.450   2.8745   10.290  143.656   29.081   71.219   30.699 72.43729 42.28650 
1 1 1    3   18   36 o  112.358   27.233   19.585   7.8432   22.522   11.630   17.135   10.622  114.489   35.517  101.479   34.155 13.00980 49.27493 
1 1 1    3   18   37 o  122.177   25.145   22.775   7.6925   25.702   10.528   19.423   11.267  123.858   32.432  105.546   35.176 18.31259 47.84554 
1 1 1    3   18   38 o   98.210   29.981   16.059   8.3255   14.652   11.837   17.436   11.712   92.596   35.396   98.746   35.684 -6.149590 50.26225 
1 1 1    3   18   39 o  130.096   25.291   26.576   8.2159   37.667   11.366   14.439   11.890  150.020   30.292   90.278   35.215 59.74217 46.45119 
1 1 1    3   18   40 o   78.320   28.731   10.052   7.6333   16.110   11.888   5.8011   9.9571   91.684   35.365   71.009   30.395 20.67443 46.63220 
1 1 1    3   18   41 o   63.146   28.459   1.6616   9.8266   0.2418   12.262   4.2100   16.428   65.782   30.444   75.180   34.947 -9.397621 46.34792 
1 1 1    3   18   42 o   73.105   30.494   8.4104   9.6063   30.420   19.334   1.1956   11.069  102.151   42.978   63.862   29.327 38.28893 52.03100 
1 1 1    3   18   43 o   69.121   28.167   7.5731   7.9447   8.9051   12.341   6.6304   10.382   74.201   32.761   69.408   30.365 4.792953 44.66916 
1 1 1    3   18   44 o   56.265   26.659  -2.5554   10.380  -6.6777   13.349   3.7490   16.509   57.975   28.166   69.588   33.156 -11.61235 43.50456 
1 1 1    3   18   45 o   83.996   29.522   14.696   7.9611   22.959   11.454   6.9731   11.073   95.128   35.145   66.895   30.174 28.23341 46.32098 
1 1 1    3   19    0 o  461.854   12.059  276.805   14.426  259.350   20.066  295.477   20.754  446.592   17.346  476.741   16.807 -30.14975 24.15259 
1 1 1    3   19    1 o  401.303   12.586  209.018   13.083  167.677   18.843  247.499   18.179  358.247   20.390  436.392   16.082 -78.14459 25.96885 
1 1 1    3   19    2 o  249.025   16.087   80.927   10.321   71.830   13.897   92.118   15.413  233.522   23.285  264.832   22.687 -31.30936 32.51036 
1 1 1    3   19    3 o  273.329   25.314   98.401   17.719   98.401   17.719   0.0000   0.0000  273.329   25.314  ?   ?  0.000000 25.31428 
1 1 1    3   19    4 o  751.843   11.925  733.508   23.224  755.656   33.489  712.991   32.233  762.366   16.959  740.557   16.803 21.80872 23.87350 
1 1 1    3   19    5 o  296.684   16.391  114.762   12.548  118.295   18.882  111.969   16.791  300.024   24.511  292.201   22.354 7.823120 33.17387 
1 1 1    3   19    6 o  371.625   14.056  179.353   13.530  167.939   19.722  189.504   18.598  358.346   21.344  381.586   18.815 -23.23993 28.45292 
1 1 1    3   19    7 o  624.749   11.517  506.456   18.638  488.403   26.350  524.529   26.365  612.899   16.598  635.245   16.023 -22.34595 23.06981 
1 1 1    3   19    8 o  676.567   11.503  593.988   20.159  615.898   29.847  575.610   27.336  688.193   16.743  665.443   15.859 22.74994 23.06181 
1 1 1    3   19    9 o  906.125   12.238  1065.81   28.724  1096.40   41.839  1038.53   39.505  917.931   17.596  893.504   17.069 24.42755 24.51477 
1 1 1    3   19   10 o  589.483   11.208  450.946   17.114  453.873   24.586  448.194   23.836  590.776   16.066  587.126   15.673 3.649841 22.44498 
1 1 1    3   19   11 o  244.685   16.345   78.229   10.300   87.418   14.772   69.533   14.370  257.789   22.342  229.284   24.578 28.50491 33.21556 
1 1 1    3   19   12 o   63.442   27.603  -1.4007   8.4764   5.1609   13.300  -5.8888   11.000   90.941   36.666   66.229   29.955 24.71289 47.34625 
1 1 1    3   19   13 o  269.152   16.258   94.626   11.282   84.608   16.169  104.131   15.749  252.930   25.006  281.488   21.769 -28.55855 33.15386 
1 1 1    3   19   14 o   86.544   32.877   7.1235   10.172   9.0555   14.674   5.3361   14.114  101.179   39.218   93.211   37.704 7.967445 54.40260 
1 1 1    3   19   15 o  671.500   16.980  587.614   29.535  587.614   29.535   0.0000   0.0000  671.500   16.980  ?   ?  0.000000 16.98013 
1 1 1    3   19   16 f  481.731   12.456  301.643   15.542  293.669   22.182  309.333   21.784  474.383   18.052  487.026   17.268 -12.64310 24.98101 
1 1 1    3   19   17 o  297.770   18.889  116.330   14.494  112.800   27.864  117.639   16.971  287.553   38.366  298.750   22.087 -11.19656 44.26965 
1 1 1    3   19   18 o   84.898   40.049 -23.4900   22.954 -23.4900   22.954   0.0000   0.0000   84.898   40.049  ?   ?  0.000000 40.04908 
1 1 1    3   19   19 o   52.140   24.770 -11.0337   9.0767 -35.7300   23.702  -6.7897   9.8257   78.666   38.055   60.228   27.648 18.43788 47.03801 
1 1 1    3   19   20 o  530.325   11.718  366.009   16.097  358.700   36.243  367.805   17.966  518.993   27.053  531.318   13.054 -12.32471 30.03796 
1 1 1    3   19   21 o  250.929   15.251   82.606   9.8660   86.310   24.275   81.873   10.798  248.216   39.044  249.467   16.808 -1.251770 42.50843 
1 1 1    3   19   22 o   67.562   30.277  -4.0989   10.948   0.0000   0.0000  -4.0989   10.948  ?   ?    67.562   30.277 0.000000 30.27728 
1 1 1    3   19   23 o  282.013   14.354  104.426   10.451   81.060   28.901  107.941   11.210  231.740   49.642  286.509   15.158 -54.76978 51.90445 
1 1 1    3   19   24 o  497.203   12.273  323.250   15.807  336.900   37.209  320.244   17.460  496.106   29.082  494.335   13.636 1.770813 32.12037 
1 1 1    3   19   25 o  250.766   15.379   83.148   9.9413  127.100   29.095   77.339   10.578  295.594   38.947  241.251   17.037 54.34331 42.51041 
1 1 1    3   19   26 o  218.546   49.783   76.490   27.553   76.490   27.553   0.0000   0.0000  218.546   49.783  ?   ?  0.000000 49.78332 
1 1 1    3   19   27 o  131.377   36.430   25.921   12.830   36.960   25.724   22.266   14.803  150.118   53.037  122.215   40.299 27.90242 66.61054 
1 1 1    3   19   28 o   64.087   27.762   0.0732   8.4998  -2.3910   24.389   0.4139   9.0683   98.539   44.583   66.610   28.765 31.92854 53.05716 
1 1 1    3   19   29 o   98.610   28.186   14.137   7.5598   5.6600   23.908   15.079   7.9686  104.210   45.822  101.583   28.904 2.626968 54.17662 
1 1 1    3   19   30 o  102.152   35.320   15.331   11.373  -1.6330   21.211   22.175   13.473   91.373   41.437  118.816   38.404 -27.44357 56.49677 
1 1 1    3   19   31 o   71.161   31.818  -1.3452   12.018   14.170   18.612 -12.4400   15.739  104.682   42.937   69.141   32.779 35.54101 54.01870 
1 1 1    3   19   32 o   62.253   26.368   1.8598   7.3566  -3.1590   20.355   2.6139   7.8899   85.692   39.505   65.469   27.496 20.22233 48.13162 
1 1 1    3   19   33 o   52.430   24.672  -6.8777   8.6144   0.0000   0.0000  -6.8777   8.6144  ?   ?    52.430   24.672 0.000000 24.67240 
1 1 1    3   19   34 o   93.464   28.545   13.557   7.5459   21.363   9.4772   0.0351   12.473  115.426   31.029   71.893   32.261 43.53252 44.76064 
1 1 1    3   19   35 o  164.850   19.267   38.454   8.0718   25.461   12.258   48.401   10.725  120.829   36.266  181.775   23.316 -60.94621 43.11505 
1 1 1    3   19   36 o  165.433   17.932   38.529   7.5613   41.360   10.281   35.192   11.160  165.908   24.674  147.943   30.145 17.96593 38.95525 
1 1 1    3   19   37 o  104.232   29.501   18.002   8.3239   24.982   12.094   11.718   11.474  116.506   36.231   86.400   34.319 30.10532 49.90432 
1 1 1    3   19   38 o  146.095   21.048   31.673   7.7353   30.282   10.453   33.357   11.501  133.369   30.867  138.129   32.659 -4.759674 44.93786 
1 1 1    3   19   39 f   66.788   27.826   5.2152   7.9855   4.1588   12.282   5.9887   10.510   71.800   32.130   72.052   31.042 -0.2521973 44.67602 
1 1 1    3   19   40 o   54.264   24.998  -1.7025   8.1293   2.0233   11.868  -4.9965   11.158   67.140   30.658   58.025   27.535 9.115520 41.20805 
1 1 1    3   19   41 o   85.753   36.322   15.598   13.958   16.740   20.554   14.620   19.014   86.112   39.699   84.173   38.574 1.939438 55.35290 
1 1 1    3   19   42 o   62.553   27.397   3.9898   8.4732   6.9799   13.106   1.8424   11.106   72.062   32.636   63.586   29.265 8.476147 43.83545 
1 1 1    3   19   43 o   82.203   31.876   14.237   9.6973   5.6570   15.626   19.612   12.367   70.634   33.236   89.614   35.619 -18.98004 48.71651 
1 1 1    3   19   44 o   62.824   27.708   5.3422   8.8034   16.344   12.573  -5.2388   12.330   80.669   34.332   56.088   27.207 24.58171 43.80587 
1 1 1    3   20    0 o  123.266   32.077   20.716   10.341   14.253   15.375   26.054   13.974  112.981   40.877  138.172   37.902 -25.19101 55.74471 
1 1 1    3   20    1 o  500.125   11.921  324.634   15.444  327.998   21.854  321.279   21.828  502.187   16.800  496.997   16.955 5.189545 23.86903 
1 1 1    3   20    2 f  582.881   11.667  440.924   17.615  434.103   25.328  447.315   24.515  577.706   16.925  586.545   16.135 -8.839050 23.38396 
1 1 1    3   20    3 o  434.202   12.477  244.751   14.033  269.522   20.528  223.021   19.227  455.137   17.412  413.960   17.931 41.17719 24.99442 
1 1 1    3   20    4 o  443.413   12.314  255.241   14.144  263.002   20.300  247.918   19.719  449.579   17.431  436.495   17.440 13.08414 24.65766 
1 1 1    3   20    5 o  373.924   12.792  181.552   12.390  176.440   17.802  186.355   17.254  367.609   18.758  378.405   17.603 -10.79547 25.72412 
1 1 1    3   20    6 o  458.380   11.963  272.754   14.204  265.057   20.838  279.434   19.413  451.233   17.828  463.519   16.169 -12.28531 24.06795 
1 1 1    3   20    7 o  325.000   13.421  137.210   11.298  122.919   16.959  148.613   15.150  306.156   21.522  337.453   17.391 -31.29620 27.66991 
1 1 1    3   20    8 o  259.328   15.398   87.761   10.297   86.216   14.934   89.160   14.217  255.884   22.769  260.520   21.253 -4.636063 31.14636 
1 1 1    3   20    9 o  150.846   24.772   30.549   9.3431   20.773   14.543   37.420   12.192  125.623   39.827  166.342   29.370 -40.71961 49.48468 
1 1 1    3   20   10 f   83.697   31.469   6.8970   9.2626   14.372   15.024   2.3134   11.765  112.262   40.439   81.462   33.844 30.80002 52.73224 
1 1 1    3   20   11 o  162.704   25.884   35.563   10.544   51.643   16.196   23.737   13.890  195.017   33.255  132.030   38.344 62.98767 50.75568 
1 1 1    3   20   12 o  168.704   25.661   38.182   10.860   39.080   16.448   37.487   14.461  167.911   38.622  165.084   34.908 2.826706 52.05989 
1 1 1    3   20   13 o  264.339   17.475   91.504   11.898   97.672   18.082   86.795   15.801  271.383   26.042  256.133   24.099 15.25012 35.48176 
1 1 1    3   20   14 o  169.350   23.959   38.366   10.217   42.273   16.492   35.932   13.015  174.613   37.575  161.895   32.169 12.71793 49.46466 
1 1 1    3   20   15 o  145.532   30.151   29.056   10.993   36.024   16.223   23.142   14.947  160.530   39.326  130.627   40.221 29.90298 56.25160 
1 1 1    3   20   16 o  208.695   30.859   59.047   16.179   69.670   25.055   51.450   21.188  222.204   45.071  190.753   43.806 31.45120 62.85203 
1 1 1    3   20   17 o  306.616   24.791  124.818   19.521  124.818   19.521   0.0000   0.0000  306.616   24.791  ?   ?  0.000000 24.79066 
1 1 1    3   20   18 o  224.924   17.022   66.537   9.8442   94.870   22.736   60.000   10.921  263.545   34.105  212.878   20.041 50.66676 39.55722 
1 1 1    3   20   19 o  354.996   13.130  164.298   12.073  177.700   30.074  161.723   13.182  361.902   32.425  351.957   14.459 9.945526 35.50281 
1 1 1    3   20   20 o   92.652   31.865   10.784   9.2507   0.0000   0.0000   10.784   9.2507  ?   ?    92.652   31.865 0.000000 31.86501 
1 1 1    3   20   21 o  134.360   29.454   25.272   9.9682   36.340   30.313   23.930   10.555  159.481   57.442  130.204   31.613 29.27681 65.56653 
1 1 1    3   20   22 o  169.504   21.120   38.726   9.0720   37.230   27.637   38.906   9.6042  157.780   55.031  169.491   22.427 -11.71068 59.42507 
1 1 1    3   20   23 o  105.007   29.843   15.577   8.5001   45.700   26.607   12.153   8.9702  169.479   53.884   95.004   31.373 74.47472 62.35201 
1 1 1    3   20   24 o  101.745   30.416   14.648   8.6347 -12.4600   24.677   18.430   9.2174   92.994   43.090  113.259   30.665 -20.26453 52.88815 
1 1 1    3   20   25 o   86.642   31.097   9.4630   8.8768   12.130   24.645   9.0653   9.5156  115.658   48.585   86.730   32.036 28.92787 58.19616 
1 1 1    3   20   26 o   96.254   29.023   13.209   7.8371 -34.8100   23.282   19.345   8.3227   74.436   36.389  115.787   28.046 -41.35172 45.94306 
1 1 1    3   20   27 o   88.940   33.982   9.3354   10.907  -7.4790   21.934   14.858   12.571   89.236   41.092  103.340   37.015 -14.10426 55.30503 
1 1 1    3   20   28 o   93.283   37.299   9.5845   13.639 -24.2000   22.540   29.100   17.131   77.555   37.418  133.839   43.310 -56.28316 57.23484 
1 1 1    3   20   29 o   76.595   32.801   2.6839   11.606 -29.9000   22.632   14.310   13.519   73.702   35.998  101.173   38.022 -27.47067 52.36005 
1 1 1    3   20   30 o   85.792   35.587   7.0082   12.979   42.810   22.661 -10.4700   15.833  150.858   49.867   70.889   33.386 79.96855 60.01119 
1 1 1    3   20   31 o   72.487   28.090   6.0824   7.5270 -15.4800   19.914   9.6765   8.1301   74.983   35.914   83.084   29.767 -8.100822 46.64630 
1 1 1    3   20   32 o   61.871   26.727   1.1878   7.8338   0.0579   19.791   1.3977   8.5305   86.010   39.393   64.358   27.846 21.65236 48.24099 
1 1 1    3   20   33 o   94.277   34.065   14.072   10.672   0.0000   0.0000   14.072   10.672  ?   ?    94.277   34.065 0.000000 34.06516 
1 1 1    3   20   34 o  161.484   20.508   37.391   8.3849   44.070   20.753   36.088   9.1664  143.694   47.733  156.488   23.326 -12.79327 53.12738 
1 1 1    3   20   35 o   76.417   30.500   7.6130   9.1026 -11.5400   18.164   14.036   10.519   70.692   33.975   92.205   33.742 -21.51283 47.88336 
1 1 1    3   20   36 o   91.137   32.195   14.022   9.4789   22.860   20.567   11.639   10.681  104.469   44.161   85.607   33.381 18.86199 55.35786 
1 1 1    3   20   37 o   75.126   27.722   8.6426   7.1223   14.413   9.2422   0.2042   11.176   90.912   31.817   65.852   29.946 25.06005 43.69281 
1 1 1    3   20   38 o   90.796   30.966   14.775   8.7325   20.468   12.895   9.9532   11.868   99.580   37.192   79.907   33.649 19.67307 50.15442 
1 1 1    3   20   39 o   76.519   28.903   9.8707   7.8331   12.201   10.566   7.0263   11.672   81.946   32.806   73.492   32.173 8.454697 45.94928 
1 1 1    3   20   40 o   72.092   32.993   5.4852   13.845  -8.0950   20.831   16.230   18.529   68.984   33.868   85.331   38.709 -16.34711 51.43350 
1 1 1    3   20   41 o   85.814   30.226   14.344   8.3489   10.492   12.927   17.101   10.935   76.242   33.603   88.642   33.989 -12.40031 47.79580 
1 1 1    3   20   42 o   43.903   21.357  -8.1832   7.7422 -18.0193   12.163  -1.4833   10.039   48.400   24.130   56.693   26.664 -8.292404 35.96161 
1 1 1    3   20   43 o   52.216   25.163  -5.0672   10.125   4.7360   13.461 -17.8400   15.365   66.159   31.040   53.376   26.689 12.78325 40.93594 
1 1 1    3   20   44 o   81.088   30.896   15.371   9.0004   12.892   13.386   17.416   12.159   72.374   32.858   79.637   33.825 -7.262299 47.15703 
1 1 1    3   21    0 o  494.387   11.686  317.323   14.966  296.962   20.914  338.690   21.425  477.636   16.904  510.193   16.212 -32.55731 23.42140 
1 1 1    3   21    1 o  232.682   17.214   70.868   10.301   85.971   14.759   56.521   14.385  255.530   22.528  205.737   27.697 49.79285 35.70210 
1 1 1    3   21    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   21    3 o  419.767   18.530  229.627   20.148  229.627   20.148   0.0000   0.0000  419.767   18.530  ?   ?  0.000000 18.53014 
1 1 1    3   21    4 o  565.964   16.346  416.894   23.964  416.894   23.964   0.0000   0.0000  565.964   16.346  ?   ?  0.000000 16.34631 
1 1 1    3   21    5 o  261.180   15.761   89.079   10.613   99.369   15.669   80.357   14.426  274.851   22.197  246.863   22.819 27.98849 31.83426 
1 1 1    3   21    6 o   89.518   32.381   8.8739   9.6469   20.441   15.370   1.3562   12.391  125.556   41.049   81.711   34.395 43.84513 53.55345 
1 1 1    3   21    7 o   93.994   33.046   10.378   9.9753   5.0305   14.817   14.811   13.491   94.485   38.481  110.632   38.456 -16.14697 54.40225 
1 1 1    3   21    8 o  111.452   31.800   16.835   9.6318   13.852   13.967   19.540   13.301  109.255   39.028  121.355   38.037 -12.10024 54.49829 
1 1 1    3   21    9 o  360.111   13.580  168.621   12.667  177.724   18.667  160.851   17.246  368.401   19.632  350.538   19.065 17.86307 27.36581 
1 1 1    3   21   10 o  531.926   12.016  367.651   16.557  393.485   24.730  346.667   22.289  549.324   17.380  515.746   16.684 33.57776 24.09193 
1 1 1    3   21   11 o  431.455   13.095  242.081   14.635  225.698   21.063  257.373   20.349  415.559   19.568  444.129   17.688 -28.57037 26.37736 
1 1 1    3   21   12 o  302.567   15.678  119.617   12.245  123.448   18.403  116.574   16.404  305.761   23.413  297.547   21.427 8.214142 31.73809 
1 1 1    3   21   13 o  193.468   30.898   50.859   14.963   0.0000   0.0000   50.859   14.963  ?   ?   193.468   30.898 0.000000 30.89774 
1 1 1    3   21   14 o  542.582   17.543  384.690   24.656  388.100   36.401  381.800   33.515  542.151   25.920  538.456   24.029 3.694214 35.34512 
1 1 1    3   21   15 o  187.336   29.430   47.716   13.810   66.381   18.753   25.600   20.414  220.147   33.980  139.232   47.346 80.91425 58.27812 
1 1 1    3   21   16 o  616.584   14.274  495.839   22.797  507.416   28.635  475.800   37.673  622.555   17.757  600.074   24.237 22.48114 30.04542 
1 1 1    3   21   17 o  259.974   20.580   89.477   13.746   85.915   16.789   96.720   23.940  253.092   25.978  264.826   35.817 -11.73499 44.24618 
1 1 1    3   21   18 o   65.780   30.041  -6.7357   11.400 -28.6900   26.055  -1.5382   12.677   87.572   41.706   77.000   33.624 10.57215 53.57153 
1 1 1    3   21   19 o   73.331   30.834   1.6336   9.9409   0.0000   0.0000   1.6336   9.9409  ?   ?    73.331   30.834 0.000000 30.83351 
1 1 1    3   21   20 o   71.604   29.965   1.9197   9.3177  -5.8900   25.450   3.1285   10.013  102.239   45.964   76.118   31.388 26.12026 55.65932 
1 1 1    3   21   21 o  289.764   15.132  110.636   11.318   77.140   29.658  116.345   12.245  221.635   52.472  296.876   15.982 -75.24059 54.85232 
1 1 1    3   21   22 o  125.410   29.141   22.417   9.2861  -8.0150   26.370   26.725   9.9216  100.195   45.731  137.266   28.822 -37.07070 54.05610 
1 1 1    3   21   23 o  188.952   20.130   48.276   9.7007   38.340   23.416   50.334   10.658  154.519   50.673  192.305   21.781 -37.78586 55.15544 
1 1 1    3   21   24 o   84.893   30.368   9.1490   8.4584   14.790   24.085   8.3554   9.0338  117.442   48.577   83.844   31.166 33.59785 57.71539 
1 1 1    3   21   25 o  115.951   29.907   19.671   9.0413   9.5780   24.128   21.319   9.7518  110.164   47.239  120.325   31.072 -10.16079 56.54174 
1 1 1    3   21   26 o   46.556   22.261  -9.3322   7.5806 -20.8700   22.550  -7.8622   8.0490   80.050   38.308   50.243   23.706 29.80680 45.04969 
1 1 1    3   21   27 o   94.552   35.013   11.984   11.381   25.740   22.486   7.2467   13.196  126.817   48.712   88.056   36.140 38.76100 60.65434 
1 1 1    3   21   28 o  225.508   41.938   82.870   23.596   82.870   23.596   0.0000   0.0000  225.508   41.938  ?   ?  0.000000 41.93772 
1 1 1    3   21   29 o   54.826   25.464  -5.5983   8.6932  -7.7930   20.749  -5.1310   9.5740   83.084   38.838   58.523   27.020 24.56068 47.31267 
1 1 1    3   21   30 o   55.089   24.871  -2.2370   7.5436  -5.4160   20.090  -1.7152   8.1392   82.567   38.469   58.066   26.058 24.50147 46.46400 
1 1 1    3   21   31 o   72.189   27.170   6.6870   6.9083 -12.1400   22.051   8.7359   7.2745   79.531   38.012   78.617   28.158 0.9143219 47.30485 
1 1 1    3   21   32 o   70.881   30.386   3.4192   9.9780   0.0000   0.0000   3.4192   9.9780  ?   ?    70.881   30.386 0.000000 30.38560 
1 1 1    3   21   33 o   74.589   28.043   7.6789   7.3553  -4.7740   16.633   10.706   8.2007   73.817   34.592   83.680   29.905 -9.862846 45.72606 
1 1 1    3   21   34 o   83.834   30.037   11.012   8.2784   28.470   19.593   7.2183   9.1337  114.776   45.081   75.345   30.382 39.43063 54.36309 
1 1 1    3   21   35 o   90.469   30.186   13.666   8.2964  -5.9010   19.661   17.904   9.1510   75.484   36.026  101.949   31.485 -26.46507 47.84508 
1 1 1    3   21   36 o   56.896   25.718  -0.6716   8.0933   4.3470   17.816  -1.9765   9.0848   79.925   36.886   57.795   26.551 22.12946 45.44823 
1 1 1    3   21   37 o   67.096   27.922   5.4487   8.0271   25.030   20.505   1.9048   8.7233   99.758   43.167   61.832   27.410 37.92600 51.13405 
1 1 1    3   21   38 o  111.125   33.287   24.067   10.334   12.670   19.453   28.549   12.198   83.945   38.671  116.774   36.397 -32.82910 53.10563 
1 1 1    3   21   39 f   69.664   32.270   3.5883   13.824 -12.8000   20.879   16.380   18.446   66.325   32.816   84.898   38.555 -18.57262 50.62964 
1 1 1    3   21   40 o   97.801   33.702   20.678   10.350   23.840   20.035   19.527   12.089   89.100   40.351   91.413   35.550 -2.312721 53.77748 
1 1 1    3   21   41 o   70.109   28.704   8.6905   8.2988   2.7099   13.082   12.718   10.736   65.317   30.630   77.787   32.324 -12.46989 44.53173 
1 1 1    3   21   42 o   68.630   30.265   8.3709   10.500   17.830   15.415   0.1816   14.343   80.135   35.918   62.760   30.170 17.37529 46.90776 
1 1 1    3   21   43 o   62.657   27.206   6.5015   8.2014   8.8640   11.569   4.1150   11.628   67.471   30.600   61.939   28.992 5.532242 42.15323 
1 1 1    3   22    0 o  315.554   14.812  129.570   12.107  123.515   17.965  134.606   16.386  306.297   22.807  320.437   19.839 -14.14029 30.22835 
1 1 1    3   22    1 f  213.566   19.982   60.085   10.926   59.273   16.265   60.753   14.748  209.698   30.868  213.225   27.332 -3.527206 41.22903 
1 1 1    3   22    2 o  363.607   13.752  171.931   12.952  181.954   19.000  163.231   17.703  372.741   19.750  353.051   19.432 19.69049 27.70675 
1 1 1    3   22    3 o  361.461   13.764  169.918   12.888  172.449   18.374  167.467   18.081  362.856   19.622  357.566   19.596 5.289917 27.73129 
1 1 1    3   22    4 o  278.327   16.256  101.258   11.669  104.858   16.980   98.036   16.063  281.878   23.469  272.600   22.963 9.278137 32.83379 
1 1 1    3   22    5 o  321.111   14.906  134.221   12.399  141.816   17.758  126.997   17.319  328.616   20.971  310.756   21.651 17.86081 30.14252 
1 1 1    3   22    6 o  589.092   11.880  450.940   18.128  469.954   26.300  433.732   25.020  600.370   16.912  576.806   16.746 23.56390 23.80014 
1 1 1    3   22    7 o   81.511   32.011   5.3187   9.8780   26.795   15.030 -11.0113   13.106  139.335   39.713   67.379   31.285 71.95562 50.55606 
1 1 1    3   22    8 f  279.642   16.709  102.346   12.048  118.503   17.316   87.188   16.773  299.782   22.463  256.142   25.624 43.64029 34.07561 
1 1 1    3   22    9 o  125.585   32.318   21.768   10.575   18.611   15.995   24.220   14.094  121.659   41.897  132.688   38.651 -11.02871 57.00203 
1 1 1    3   22   10 o   92.554   33.569   9.6259   10.378   2.6933   16.053   14.604   13.603   93.439   39.230  109.735   38.590 -16.29590 55.02837 
1 1 1    3   22   11 o  187.583   27.255   47.460   12.856   32.240   23.536   53.931   15.347  153.899   50.819  199.209   30.731 -45.31020 59.38768 
1 1 1    3   22   12 o   98.470   39.329   7.4148   15.146   2.8240   23.622   10.620   19.738  110.447   47.034  113.040   44.976 -2.593025 65.07693 
1 1 1    3   22   13 o  445.078   15.114  258.513   17.425  254.874   21.436  265.600   29.916  441.035   18.764  447.169   25.939 -6.134216 32.01432 
1 1 1    3   22   14 o  126.600   34.008   22.364   11.390   57.322   16.590  -8.8019   15.665  204.323   32.429   77.351   35.282 126.9719 47.92181 
1 1 1    3   22   15 o   77.756   32.354   2.4301   10.775   21.378   15.555 -15.0500   14.940  125.746   41.303   68.840   32.424 56.90629 52.50998 
1 1 1    3   22   16 o  243.345   24.225   79.364   15.067   71.501   19.271   91.730   24.166  227.301   33.755  256.200   37.528 -28.89862 50.47509 
1 1 1    3   22   17 o  255.809   19.734   86.841   12.975  118.400   23.225   72.521   15.645  294.184   30.942  231.322   26.593 62.86185 40.79963 
1 1 1    3   22   18 o  216.364   26.935   63.894   14.769   71.740   18.899   51.590   23.668  226.629   33.177  184.428   48.789 42.20168 59.00110 
1 1 1    3   22   19 f  384.065   12.936  193.053   12.870  204.400   32.057  190.873   14.052  383.564   32.573  381.476   14.220 2.087677 35.54224 
1 1 1    3   22   20 o   84.629   30.695   8.6057   8.6772   6.7840   27.533   8.8066   9.1432  116.035   50.115   86.050   31.463 29.98434 59.17331 
1 1 1    3   22   21 o  206.756   17.441   57.095   9.2537   63.790   25.762   56.104   9.9154  199.252   49.997  204.391   18.944 -5.139084 53.46547 
1 1 1    3   22   22 o  165.333   22.682   37.628   9.4578   25.640   24.146   39.801   10.279  132.603   50.586  169.499   24.090 -36.89565 56.02963 
1 1 1    3   22   23 o   80.197   30.266   7.3686   8.5850   21.630   25.799   5.5927   9.1039  126.665   51.067   77.173   30.596 49.49233 59.53126 
1 1 1    3   22   24 o  152.236   23.438   32.395   8.9460   23.050   24.895   33.780   9.5864  126.438   50.447  154.907   24.722 -28.46922 56.17899 
1 1 1    3   22   25 o  114.038   29.146   19.203   8.6418   27.240   24.775   18.090   9.2210  130.425   50.845  110.178   31.003 20.24651 59.55182 
1 1 1    3   22   26 o  107.444   28.867   17.168   8.2053   34.810   24.689   14.978   8.6998  139.336   51.575  100.361   30.650 38.97487 59.99511 
1 1 1    3   22   27 o  239.027   21.296   79.399   13.047   86.620   26.793   77.155   14.938  222.011   47.990  232.515   25.206 -10.50359 54.20654 
1 1 1    3   22   28 o  152.995   36.562   38.027   14.292   49.700   24.941   32.320   17.439  156.862   52.338  134.702   43.708 22.16019 68.18830 
1 1 1    3   22   29 o   74.957   32.152   3.5916   11.183  -5.2550   22.173   6.6098   12.951   85.425   40.002   83.226   35.105 2.198883 53.22099 
1 1 1    3   22   30 o   56.963   25.917  -2.5876   8.3850  -3.1450   20.481  -2.4753   9.1906   83.144   38.773   59.731   27.160 23.41316 47.33909 
1 1 1    3   22   31 o   65.317   28.613   1.3670   9.2463   0.0000   0.0000   1.3670   9.2463  ?   ?    65.317   28.613 0.000000 28.61348 
1 1 1    3   22   32 o   47.263   22.341  -6.0629   7.2092   3.8780   20.909  -7.4041   7.6801   86.905   40.056   47.456   22.612 39.44905 45.99769 
1 1 1    3   22   33 o  132.895   25.423   27.272   8.4326   24.810   20.564   27.769   9.2457  107.803   44.762  131.948   27.922 -24.14475 52.75718 
1 1 1    3   22   34 o   97.486   29.314   15.966   8.0032   7.3280   15.841   18.926   9.2738   82.258   36.673  104.259   31.601 -22.00076 48.41016 
1 1 1    3   22   35 o  102.716   30.102   18.357   8.5261   53.950   20.123   10.569   9.4127  150.351   46.731   80.674   31.371 69.67729 56.28393 
1 1 1    3   22   36 o   50.430   23.872  -5.2723   8.2843  -5.0630   19.394  -5.3190   9.1622   71.870   34.683   52.992   25.090 18.87824 42.80679 
1 1 1    3   22   37 o   57.323   25.523   1.3561   7.6457   5.1640   17.436   0.4497   8.5072   75.642   35.437   57.930   26.259 17.71295 44.10601 
1 1 1    3   22   38 o   64.323   29.370   2.5245   10.889   8.9590   20.828   0.1044   12.773   78.257   37.274   64.365   30.210 13.89120 47.97975 
1 1 1    3   22   39 o   70.471   30.355   8.1017   10.047   50.080   19.099  -7.9585   11.814  125.767   45.551   54.571   26.508 71.19630 52.70303 
1 1 1    3   22   40 o   53.579   24.994  -1.1018   8.5220  -1.6400   21.281  -0.9990   9.3002   68.406   33.710   55.356   25.917 13.05033 42.52124 
1 1 1    3   22   41 o   58.954   27.496   1.4940   10.305   0.0000   0.0000   1.4940   10.305  ?   ?    58.954   27.496 0.000000 27.49584 
1 1 1    3   22   42 o   69.653   31.166   10.713   11.552   45.490   21.571  -3.2690   13.678   94.756   42.480   57.496   28.061 37.25990 50.91122 
1 1 1    3   23    0 o  510.384   12.092  338.670   15.986  354.343   24.088  326.335   21.370  520.888   17.853  500.182   16.494 20.70596 24.30572 
1 1 1    3   23    1 o  279.551   16.291  102.260   11.745   95.887   17.919  107.060   15.552  268.505   26.094  285.068   21.214 -16.56342 33.62880 
1 1 1    3   23    2 f  240.415   18.374   75.957   11.355   82.005   17.588   71.633   14.870  247.619   27.907  231.950   25.153 15.66937 37.56940 
1 1 1    3   23    3 o  285.712   16.222  106.807   11.956  138.140   18.579   84.662   15.620  323.697   22.294  252.600   24.167 71.09744 32.87976 
1 1 1    3   23    4 f   91.133   33.052   9.3114   10.061   13.958   15.542   5.9599   13.199  111.548   40.985   91.518   36.657 20.02956 54.98653 
1 1 1    3   23    5 o  309.055   15.569  124.855   12.423  115.332   17.671  134.163   17.470  295.299   23.291  319.158   21.253 -23.85870 31.53014 
1 1 1    3   23    6 o  490.561   12.507  313.086   15.892  325.109   22.906  301.927   22.067  498.761   17.730  480.651   17.724 18.10916 25.06974 
1 1 1    3   23    7 o  180.088   27.522   43.865   12.431   57.610   21.565   37.025   15.213  202.142   42.533  162.771   36.929 39.37085 56.32773 
1 1 1    3   23    8 o  139.600   37.967   27.247   14.092   17.500   20.232   36.430   19.639  124.802   46.591  160.267   45.297 -35.46535 64.98116 
1 1 1    3   23    9 o  386.862   19.245  196.167   19.286  182.900   27.671  208.700   26.894  369.677   29.133  396.159   26.358 -26.48218 39.28711 
1 1 1    3   23   10 o  299.080   19.349  117.805   14.909  147.751   19.091   70.990   23.871  334.254   22.176  224.093   42.682 110.1613 48.09891 
1 1 1    3   23   11 o  103.033   35.348   13.399   11.380   17.980   17.012   9.6879   15.311  120.619   43.076  102.376   39.954 18.24371 58.75206 
1 1 1    3   23   12 o  112.995   35.122   17.376   11.367   33.869   17.747   5.9030   14.801  153.803   42.916   94.554   38.479 59.24896 57.64064 
1 1 1    3   23   13 o   98.703   34.877   11.923   11.124   7.8143   16.988   15.007   14.719  102.203   41.357  111.041   40.023 -8.838493 57.55213 
1 1 1    3   23   14 o  188.908   28.791   48.935   13.643   39.389   16.780   67.550   23.432  165.453   39.668  216.122   43.364 -50.66951 58.77045 
1 1 1    3   23   15 o  142.556   38.256   29.256   14.421   56.130   20.338   2.0820   20.451  196.835   41.211  100.838   43.372 95.99719 59.82886 
1 1 1    3   23   16 o   82.283   35.656  -0.0973   14.030   0.7140   18.845  -1.1060   21.014   95.180   41.284   97.805   42.984 -2.625320 59.59842 
1 1 1    3   23   17 o  254.428   18.940   86.199   12.393   87.620   18.816   85.110   16.469  251.824   29.399  249.927   25.811 1.896988 39.12179 
1 1 1    3   23   18 o   88.240   32.795   9.0331   10.002  -5.2782   16.160   17.921   12.735   80.661   36.411  112.994   37.384 -32.33275 52.18550 
1 1 1    3   23   19 o  313.600   19.558  131.756   15.808  121.500   30.840  135.411   18.410  283.770   43.330  316.176   22.629 -32.40536 48.88291 
1 1 1    3   23   20 o  193.176   20.057   50.547   9.8900   43.430   23.172   52.132   10.936  162.611   50.082  195.368   21.993 -32.75668 54.69808 
1 1 1    3   23   21 o  219.943   17.558   64.937   9.9196   60.470   29.026   65.528   10.555  184.619   55.896  220.453   18.659 -35.83360 58.92819 
1 1 1    3   23   22 o  207.969   19.211   58.677   10.232   26.190   27.096   64.080   11.050  131.809   52.617  217.063   19.874 -85.25461 56.24579 
1 1 1    3   23   23 o   68.123   27.847   3.3942   7.7959   9.5940   23.598   2.6347   8.2597  107.573   46.428   67.877   28.292 39.69534 54.36945 
1 1 1    3   23   24 o  116.914   27.485   20.078   8.1832   42.350   22.678   16.744   8.7744  153.874   49.834  105.878   30.397 47.99569 58.37343 
1 1 1    3   23   25 o   89.745   28.916   11.707   7.6425   1.9450   20.734   13.242   8.2214   93.003   41.673   94.660   29.938 -1.657372 51.31203 
1 1 1    3   23   26 o   86.748   36.298   7.1131   13.671   6.8290   20.249   7.3510   18.533   96.162   42.229   94.475   40.960 1.687157 58.83038 
1 1 1    3   23   27 o   68.375   28.230   3.8239   8.1124  -1.8370   20.121   4.9227   8.8649   85.758   39.441   72.566   29.683 13.19282 49.36234 
1 1 1    3   23   28 o   91.927   30.740   13.063   8.6039   4.8560   20.108   14.902   9.5193   90.603   40.783   97.022   32.333 -6.418640 52.04494 
1 1 1    3   23   29 o   55.072   26.435 -11.1121   10.922 -50.4300   21.899   1.9067   12.601   60.148   30.315   74.104   32.892 -13.95646 44.73116 
1 1 1    3   23   30 o   87.239   39.801   4.8140   19.946   0.0000   0.0000   4.8140   19.946  ?   ?    87.239   39.801 0.000000 39.80051 
1 1 1    3   23   31 o   74.557   28.658   7.7091   7.7859   40.410   21.586   2.8183   8.3478  130.948   48.273   64.784   27.783 66.16386 55.69688 
1 1 1    3   23   32 o   65.410   27.776   3.5924   8.1966  -1.4270   18.205   4.8687   9.1797   77.042   36.130   69.915   29.526 7.127159 46.65984 
1 1 1    3   23   33 o   51.654   23.932  -3.2667   7.6090 -24.2100   17.730   1.4611   8.4241   60.409   29.951   61.434   27.099 -1.025146 40.39104 
1 1 1    3   23   34 o   67.291   27.753   5.5166   7.8297   13.930   19.791   3.9554   8.5253   89.020   40.229   65.378   28.058 23.64223 49.04708 
1 1 1    3   23   35 o   92.891   30.824   15.892   8.6553   23.520   19.408   13.998   9.6701   96.570   41.892   86.647   32.237 9.923347 52.85989 
1 1 1    3   23   36 o   50.450   23.627  -3.2318   7.7393   2.1250   18.248  -4.4066   8.5459   73.143   34.853   51.353   24.290 21.78959 42.48169 
1 1 1    3   23   37 o   61.424   28.528   0.4734   10.910 -44.7500   20.360   18.691   12.922   53.251   27.094   89.159   36.073 -35.90816 45.11474 
1 1 1    3   23   38 o   50.296   24.304  -6.8630   9.6007  -4.5790   17.602  -7.8303   11.455   64.729   31.643   53.600   26.052 11.12962 40.98773 
1 1 1    3   23   39 o   70.495   29.793   9.2571   9.3580  -7.1430   21.244   13.206   10.424   65.118   32.370   77.641   32.022 -12.52327 45.53327 
1 1 1    3   23   40 o   69.651   29.495   9.5870   9.2012   0.0000   0.0000   9.5870   9.2012  ?   ?    69.651   29.495 0.000000 29.49510 
1 1 1    3   23   41 o   55.187   25.907   0.8037   9.4007 -31.4500   21.574   8.3628   10.444   54.046   27.536   65.884   29.546 -11.83821 40.38784 
1 1 1    3   23   42 o   56.107   26.293   2.6992   9.6098   13.370   20.311  -0.3785   10.908   67.285   33.114   54.462   26.213 12.82297 42.23396 
1 1 1    3   24    0 o  299.741   22.427  118.901   17.287   87.350   24.362  150.900   24.534  251.141   38.692  335.806   28.473 -84.66551 48.03911 
1 1 1    3   24    1 o  542.901   17.425  385.539   24.505  415.600   36.512  360.900   33.056  560.685   25.140  522.790   24.410 37.89502 35.04078 
1 1 1    3   24    2 o  280.760   22.937  104.521   16.535   95.520   23.270  113.700   23.500  264.324   34.836  289.917   31.816 -25.59241 47.17828 
1 1 1    3   24    3 o  390.290   18.814  199.628   19.020  201.200   28.725  198.400   25.381  387.805   28.801  386.412   25.501 1.392975 38.46791 
1 1 1    3   24    4 o  372.296   19.820  182.415   19.044  156.900   28.097  204.100   25.902  340.714   32.218  391.807   25.664 -51.09262 41.19049 
1 1 1    3   24    5 o  220.288   24.015   64.826   13.481   54.521   16.645   84.480   22.986  198.897   33.497  247.206   37.038 -48.30821 49.93842 
1 1 1    3   24    6 o  115.790   37.182   17.992   12.645   30.710   16.015  -3.0650   20.606  147.239   40.653   96.631   42.514 50.60806 58.82234 
1 1 1    3   24    7 o  439.385   13.167  251.665   14.986  252.186   21.975  251.212   20.489  438.199   19.360  437.742   18.070 0.4564209 26.48271 
1 1 1    3   24    8 o  468.199   13.034  285.802   15.807  290.047   22.975  281.987   21.782  469.961   18.873  463.629   18.138 6.331238 26.17578 
1 1 1    3   24    9 o  210.064   22.043   58.892   11.816   41.815   16.689   76.057   16.731  171.464   38.516  237.134   27.764 -65.67023 47.47968 
1 1 1    3   24   10 o  158.383   27.213   34.392   10.762   37.896   17.350   32.201   13.721  162.114   41.224  150.715   35.696 11.39920 54.53041 
1 1 1    3   24   11 o  101.942   35.260   13.238   11.335   4.9752   17.140   19.660   15.110   97.858   40.769  120.905   40.736 -23.04714 57.63286 
1 1 1    3   24   12 o  138.548   34.196   27.304   12.198   30.960   19.361   24.897   15.707  146.189   45.904  132.434   41.308 13.75517 61.75341 
1 1 1    3   24   13 o  237.612   29.465   77.598   17.746   81.710   25.524   73.750   24.691  236.586   43.243  223.994   44.124 12.59198 61.78148 
1 1 1    3   24   14 o  213.548   27.400   62.605   14.807   51.879   18.749   80.380   24.136  188.485   39.658  234.870   41.174 -46.38503 57.16658 
1 1 1    3   24   15 o  103.249   35.855   14.098   11.726   23.316   17.179   6.0576   16.045  127.851   43.434   95.492   39.586 32.35865 58.76709 
1 1 1    3   24   16 o  318.080   15.530  133.405   12.796  143.311   17.957  123.187   18.238  326.488   21.351  301.405   23.547 25.08350 31.78609 
1 1 1    3   24   17 o  210.418   23.441   60.588   12.559   51.986   19.122   67.114   16.656  185.076   40.970  217.863   30.337 -32.78772 50.97902 
1 1 1    3   24   18 o   87.673   33.518   8.6875   10.614   2.5036   16.090   13.452   14.124   88.780   38.328  103.098   38.841 -14.31833 54.56741 
1 1 1    3   24   19 o  192.098   23.348   51.025   11.379   44.379   18.018   55.434   14.676  168.090   41.607  196.683   29.734 -28.59305 51.13914 
1 1 1    3   24   20 o  299.866   20.108  122.094   15.528  102.500   30.108  129.194   18.125  249.342   48.361  306.345   23.009 -57.00285 53.55530 
1 1 1    3   24   21 o  177.474   19.551   43.075   8.8385   64.680   25.593   40.149   9.4179  192.463   50.649  170.163   21.873 22.29990 55.17058 
1 1 1    3   24   22 o   57.110   25.969  -3.5803   8.4037   12.380   20.447  -6.8243   9.2183  105.900   44.358   55.743   26.000 50.15755 51.41658 
1 1 1    3   24   23 o  173.721   19.035   41.473   8.4253   11.780   24.510   45.452   8.9721  108.210   47.009  181.770   19.353 -73.55918 50.83700 
1 1 1    3   24   24 o  111.821   36.679   19.938   12.269   37.060   23.913   13.821   14.293  139.266   50.889   99.380   38.654 39.88528 63.90422 
1 1 1    3   24   25 o   94.843   37.318   12.419   13.449   26.970   22.922   4.7800   16.608  121.937   48.484   87.472   38.333 34.46538 61.80658 
1 1 1    3   24   26 o   87.190   28.745   11.438   7.5317 -32.0700   22.382   16.993   7.9981   69.355   34.252  104.725   28.653 -35.37023 44.65677 
1 1 1    3   24   27 o  109.632   29.867   19.151   8.7121   19.710   22.544   19.052   9.4459  107.370   45.841  108.241   31.674 -0.8707047 55.71947 
1 1 1    3   24   28 o  177.759   20.168   45.175   9.1220   71.970   24.290   40.775   9.8424  184.523   49.705  166.092   23.536 18.43193 54.99559 
1 1 1    3   24   29 o   80.154   32.569   8.6033   10.583   0.0000   0.0000   8.6033   10.583  ?   ?    80.154   32.569 0.000000 32.56850 
1 1 1    3   24   30 o   54.058   25.722  -7.7085   9.8663   19.740   16.363 -23.3873   12.367  100.988   40.686   49.431   24.593 51.55661 47.54126 
1 1 1    3   24   31 o   46.842   22.049  -4.9699   6.8897  -5.0080   17.795  -4.9632   7.4725   72.777   34.605   49.017   23.039 23.75986 41.57243 
1 1 1    3   24   32 o   82.562   30.816   11.394   8.8503   6.0910   20.177   12.658   9.8483   83.018   38.637   85.610   32.391 -2.591827 50.41798 
1 1 1    3   24   33 f   54.611   24.664  -0.4244   7.4264   21.020   19.915  -3.8880   8.0037   95.181   41.837   51.360   24.045 43.82084 48.25445 
1 1 1    3   24   34 o   40.918   20.194 -12.7612   7.7313   6.9200   15.852 -18.9043   8.8561   76.582   35.141   40.390   20.206 36.19194 40.53634 
1 1 1    3   24   35 o   70.051   28.823   7.6965   8.4204  -0.6741   20.146   9.4684   9.2689   71.907   34.857   74.210   30.353 -2.303429 46.22041 
1 1 1    3   24   36 o   69.709   30.541   7.3860   10.536 -11.8200   20.453   14.324   12.293   64.535   32.026   81.100   34.204 -16.56425 46.85701 
1 1 1    3   24   37 o   51.294   24.555  -4.6647   9.2834 -19.1100   14.659   5.0078   11.995   52.279   26.130   66.316   30.482 -14.03672 40.14837 
1 1 1    3   24   38 o   71.212   29.790   9.9987   9.2054  -4.2380   21.054   13.364   10.236   65.434   32.476   77.226   31.778 -11.79169 45.43689 
1 1 1    3   24   39 f   58.141   26.405   3.2708   8.6526   13.430   17.083  -0.2351   10.035   72.742   34.386   55.779   26.364 16.96317 43.32985 
1 1 1    3   24   40 o   65.280   29.379   8.3724   10.430   13.740   23.542   7.0616   11.634   69.611   34.514   63.953   29.617 5.658546 45.47929 
1 1 1    3   24   41 o   76.742   29.793   14.831   8.4789   18.150   16.966   13.726   9.7890   70.554   33.615   71.850   30.424 -1.295715 45.33911 
1 1 1    3   25    0 o  128.004   33.518   23.015   11.245   19.433   17.761   25.411   14.527  123.712   44.031  134.205   39.282 -10.49296 59.00707 
1 1 1    3   25    1 o  169.954   26.487   39.332   11.280   21.498   17.776   51.356   14.596  127.678   44.156  193.472   30.103 -65.79460 53.44118 
1 1 1    3   25    2 o  195.975   23.352   51.549   11.621   68.580   18.062   39.521   15.179  223.316   32.151  167.269   36.093 56.04703 48.33653 
1 1 1    3   25    3 f  267.586   16.904   94.230   11.657  109.246   18.574   84.472   14.972  285.486   25.382  251.495   23.246 33.99072 34.41825 
1 1 1    3   25    4 o  144.621   29.781   29.075   10.785   28.028   15.988   29.949   14.609  140.269   41.254  144.860   38.336 -4.591110 56.31678 
1 1 1    3   25    5 o  175.442   25.664   41.826   11.318   30.366   16.306   52.479   15.722  145.415   41.337  194.530   32.337 -49.11478 52.48253 
1 1 1    3   25    6 o   88.379   34.168   7.4950   11.116   13.634   16.966   2.8780   14.714  111.458   42.432   89.034   37.478 22.42426 56.61332 
1 1 1    3   25    7 o  307.650   18.262  124.989   14.488  125.500   27.486  124.792   17.048  300.197   36.069  306.228   21.632 -6.031677 42.05863 
1 1 1    3   25    8 o  199.273   26.710   54.132   13.440   40.640   25.302   59.435   15.863  164.767   52.563  207.503   30.416 -42.73593 60.72924 
1 1 1    3   25    9 o  161.530   40.870   38.165   17.114   54.650   24.299   21.940   24.107  189.941   49.048  133.134   50.604 56.80666 70.47277 
1 1 1    3   25   10 o  353.794   20.188  166.428   18.425  178.100   26.755  155.900   25.410  361.272   28.830  337.565   29.352 23.70721 41.14269 
1 1 1    3   25   11 o  175.936   31.274   43.560   13.730   41.387   17.005   47.630   23.271  167.738   39.747  175.790   49.176 -8.052856 63.23095 
1 1 1    3   25   12 o  219.168   27.611   66.268   15.327   67.666   19.585   64.060   24.620  217.046   36.104  204.116   47.464 12.92992 59.63508 
1 1 1    3   25   13 o  417.965   16.622  230.873   17.996  227.489   22.422  237.000   30.167  411.905   21.086  414.936   28.235 -3.031403 35.23953 
1 1 1    3   25   14 o  348.181   14.758  159.779   13.311  147.716   19.550  170.203   18.173  330.016   23.014  356.426   19.761 -26.41003 30.33403 
1 1 1    3   25   15 o  292.810   17.329  114.364   13.085  141.668   18.960   89.528   18.082  322.662   22.832  253.012   28.063 69.65013 36.17787 
1 1 1    3   25   16 o  288.885   17.719  111.747   13.195  122.422   20.170  103.761   17.447  296.562   26.538  274.053   24.847 22.50903 36.35435 
1 1 1    3   25   17 o   80.785   32.956   5.3767   10.891   7.3754   14.837   3.0417   16.036   92.436   38.172   88.478   38.230 3.957748 54.02439 
1 1 1    3   25   18 o  212.985   22.691   62.763   12.326   59.177   18.784   65.474   16.335  195.849   38.399  212.340   30.580 -16.49106 49.08774 
1 1 1    3   25   19 o  128.105   32.363   24.806   10.743   27.888   15.092   21.641   15.295  131.879   40.385  118.056   40.952 13.82301 57.51567 
1 1 1    3   25   20 o   63.546   29.288  -5.7753   11.176 -46.2200   23.191   6.4590   12.755   67.301   33.515   85.447   35.347 -18.14545 48.71037 
1 1 1    3   25   21 o   69.813   28.451   4.0590   8.1063  -8.1590   25.939   5.3814   8.5337   92.431   43.277   73.868   29.515 18.56265 52.38338 
1 1 1    3   25   22 o   61.266   26.984  -0.4488   8.3225   23.450   25.967  -3.1848   8.7860  120.216   50.140   58.512   26.586 61.70352 56.75272 
1 1 1    3   25   23 o  101.128   35.212   15.943   11.313   6.7770   25.008   18.302   12.685  100.438   45.320  106.753   37.280 -6.315369 58.68319 
1 1 1    3   25   24 o   61.352   27.465  -1.2415   8.9829   7.7630   22.072  -3.0291   9.8342   96.562   43.152   61.396   27.986 35.16584 51.43213 
1 1 1    3   25   25 o   47.951   22.683  -6.6761   7.4567  -4.2360   20.098  -7.0656   8.0298   81.543   38.152   49.686   23.514 31.85713 44.81647 
1 1 1    3   25   26 o  101.091   28.030   16.167   7.5957   7.8120   17.822   18.021   8.3965   88.731   39.263  105.826   29.516 -17.09457 49.12051 
1 1 1    3   25   27 f   66.259   28.524   2.8474   8.8602   0.0000   0.0000   2.8474   8.8602  ?   ?    66.259   28.524 0.000000 28.52362 
1 1 1    3   25   28 o   92.369   32.457   14.498   9.6221   21.090   21.603   12.866   10.747  102.315   44.290   88.352   33.738 13.96351 55.67687 
1 1 1    3   25   29 o   79.666   29.515   9.9655   8.0889  -7.6880   20.348   13.279   8.8154   74.592   35.877   88.615   31.070 -14.02282 47.46077 
1 1 1    3   25   30 o  112.365   34.378   23.553   10.939  -6.6790   20.565   35.483   12.918   74.399   35.855  137.629   35.872 -63.23035 50.71878 
1 1 1    3   25   31 o   83.626   32.914   12.166   10.465   33.870   20.752   4.7643   12.118  111.704   45.522   72.317   32.170 39.38609 55.74163 
1 1 1    3   25   32 o   77.167   30.891   9.8700   9.3676   21.030   18.725   6.1446   10.819   93.868   40.930   71.501   31.146 22.36732 51.43309 
1 1 1    3   25   33 o   50.221   23.961  -5.7949   8.6822 -32.1600   17.627   2.6503   9.9762   54.006   27.217   63.808   28.724 -9.801926 39.57014 
1 1 1    3   25   34 o   63.895   27.797   4.7783   8.5940   5.5760   20.528   4.6088   9.4632   74.923   36.036   64.799   28.645 10.12366 46.03431 
1 1 1    3   25   35 o   64.345   28.403   5.2076   9.2703   14.690   20.563   2.7888   10.386   78.783   37.384   62.270   28.526 16.51323 47.02477 
1 1 1    3   25   36 o   58.188   27.179   0.6220   10.128   9.7420   18.741  -3.1401   12.037   72.818   34.867   57.460   27.626 15.35740 44.48516 
1 1 1    3   25   37 o   62.746   27.404   5.9961   8.4237  -3.1350   21.255   7.6976   9.1751   65.013   32.328   66.165   28.753 -1.151840 43.26475 
1 1 1    3   25   38 o   74.851   30.630   13.127   9.4448  -6.7010   19.061   19.580   10.874   60.455   30.150   85.488   33.582 -25.03361 45.13039 
1 1 1    3   25   39 o   76.692   33.024   17.339   11.883   0.0000   0.0000   17.339   11.883  ?   ?    76.692   33.024 0.000000 33.02404 
1 1 1    3   25   40 o   42.835   21.218  -9.4450   8.8205  -3.2410   19.086 -11.1300   9.9465   57.998   29.107   44.116   21.966 13.88247 36.46486 
1 1 1    3   26    0 o  168.904   38.266   41.267   16.354   38.390   23.407   44.010   22.859  159.958   50.506  170.543   49.092 -10.58430 70.43367 
1 1 1    3   26    1 o  233.272   28.234   74.483   16.713   90.150   26.939   64.680   21.310  248.658   43.403  211.432   40.382 37.22554 59.28347 
1 1 1    3   26    2 o  125.259   41.882   21.796   15.971   24.390   25.777   20.180   20.347  138.053   52.362  126.149   46.796 11.90387 70.22541 
1 1 1    3   26    3 o  258.903   27.476   91.397   18.145   83.210   26.435   98.690   24.950  237.676   44.576  263.693   37.591 -26.01701 58.31095 
1 1 1    3   26    4 o  174.228   31.229   42.586   13.576   34.795   16.701   57.760   23.308  153.731   41.133  195.793   46.626 -42.06230 62.17690 
1 1 1    3   26    5 o  196.781   24.980   52.751   12.446   49.254   15.607   58.860   20.628  186.507   33.539  200.407   41.115 -13.90022 53.05965 
1 1 1    3   26    6 o  375.388   17.452  185.972   16.969  178.992   21.237  198.300   28.223  365.380   22.549  380.628   28.840 -15.24811 36.60853 
1 1 1    3   26    7 o  283.338   17.878  106.535   13.054  111.069   20.019  103.182   17.219  284.790   27.479  276.029   24.331 8.761169 36.70273 
1 1 1    3   26    8 o  151.313   28.942   32.243   10.930   53.796   18.852   21.329   13.415  191.128   39.390  121.724   38.209 69.40405 54.87669 
1 1 1    3   26    9 o  246.994   18.676   81.455   11.861  100.999   17.252   63.938   16.333  272.246   24.734  213.381   30.410 58.86485 39.19822 
1 1 1    3   26   10 o  188.683   24.419   48.936   11.655   78.384   17.413   25.037   15.687  236.936   28.976  129.801   41.386 107.1353 50.52111 
1 1 1    3   26   11 o  107.596   38.539   15.628   13.627   3.7035   18.445   29.960   20.220   95.750   41.187  139.426   47.123 -43.67599 62.58531 
1 1 1    3   26   12 o  209.674   27.719   61.705   14.685   56.241   18.576   70.810   23.980  193.491   38.419  212.573   44.955 -19.08215 59.13511 
1 1 1    3   26   13 o   65.049   29.474  -4.1805   10.705   17.169   14.977 -26.4855   15.308  110.941   40.313   59.465   29.162 51.47575 49.75451 
1 1 1    3   26   14 o  177.224   27.832   44.766   12.356   44.359   18.834   45.072   16.371  166.329   43.294  171.576   37.851 -5.246811 57.50704 
1 1 1    3   26   15 o   71.564   31.509  -0.5786   11.338  -8.1170   16.052   6.9258   16.016   75.267   34.833   93.329   39.184 -18.06163 52.42847 
1 1 1    3   26   16 o  117.199   34.803   21.008   11.333   19.024   17.550   22.426   14.843  114.045   43.217  119.804   40.375 -5.759140 59.14264 
1 1 1    3   26   17 o  183.947   26.215   48.379   12.138   24.150   17.824   69.328   16.574  122.573   44.058  217.566   30.226 -94.99283 53.42945 
1 1 1    3   26   18 o  229.574   20.835   72.812   12.255   78.474   18.012   67.933   16.721  230.166   31.001  213.907   31.088 16.25914 43.90320 
1 1 1    3   26   19 o  227.802   20.542   71.854   11.991   60.459   18.888   79.547   15.519  193.593   39.013  235.481   25.869 -41.88882 46.81059 
1 1 1    3   26   20 o  101.565   34.589   15.901   10.895   26.620   17.017   8.4549   14.184  124.094   43.187   89.587   37.185 34.50706 56.99009 
1 1 1    3   26   21 o   81.734   31.949   8.2755   9.8022   10.870   21.346   7.5822   11.034  100.445   43.752   82.308   33.323 18.13707 54.99657 
1 1 1    3   26   22 o   74.803   34.024  -1.5927   14.437  -7.2400   23.915   1.6450   18.108   86.177   40.722   85.025   38.447 1.152267 56.00382 
1 1 1    3   26   23 o   75.314   28.785   7.4037   7.8272   11.490   25.192   6.9670   8.2348  100.613   45.435   74.883   29.280 25.72929 54.05225 
1 1 1    3   26   24 o   73.724   28.411   7.1262   7.6666 -11.6000   24.349   9.1869   8.0774   81.110   39.071   79.648   29.497 1.462189 48.95503 
1 1 1    3   26   25 o   59.663   25.497   2.0134   6.9864   17.270   24.236   0.6308   7.2961  100.872   45.138   57.865   25.382 43.00714 51.78465 
1 1 1    3   26   26 o  191.011   20.876   53.231   10.161   0.0000   0.0000   53.231   10.161  ?   ?   191.011   20.876 0.000000 20.87554 
1 1 1    3   26   27 f  100.524   33.127   18.097   10.003   36.070   21.875   13.344   11.248  118.818   47.326   88.368   34.313 30.45054 58.45582 
1 1 1    3   26   28 o   78.524   29.245   9.8287   7.9624   0.9234   20.463   11.418   8.6435   79.519   37.604   82.820   30.544 -3.300972 48.44598 
1 1 1    3   26   29 o  103.216   28.343   18.168   7.8093   32.060   21.106   15.964   8.4058  109.119   45.332   94.939   30.298 14.18066 54.52502 
1 1 1    3   26   30 o   39.662   19.599 -12.9404   7.3646   5.6080   17.958 -16.6909   8.0749   78.188   36.409   39.433   19.659 38.75558 41.37797 
1 1 1    3   26   31 o   43.568   21.369 -11.4835   8.2307 -22.6300   15.032  -6.7106   9.8363   53.642   26.756   52.656   25.226 0.9856071 36.77251 
1 1 1    3   26   32 o   54.735   25.960  -4.0405   9.8921 -11.2000   19.550  -1.5768   11.469   65.154   32.146   60.528   28.478 4.625504 42.94663 
1 1 1    3   26   33 o   54.080   25.451  -2.3509   9.1698   3.1490   20.286  -3.7632   10.280   71.828   34.856   54.975   26.186 16.85304 43.59585 
1 1 1    3   26   34 o   80.351   34.617   15.841   13.070   29.050   20.629   6.9820   16.894   88.550   40.429   70.749   33.663 17.80100 52.60871 
1 1 1    3   26   35 o   45.196   22.367 -12.2509   9.7199 -17.3800   18.440 -10.2775   11.438   56.987   28.601   50.329   24.785 6.658035 37.84568 
1 1 1    3   26   36 o   55.598   25.851   1.2412   8.9991   22.580   21.421  -3.3319   9.9166   77.203   37.049   52.197   25.091 25.00610 44.74564 
1 1 1    3   26   37 o   69.059   28.983   10.473   8.7564   11.120   19.336   10.306   9.8211   68.363   33.365   68.242   29.702 0.1213989 44.66969 
1 1 1    3   26   38 o   52.876   25.912  -3.9890   12.021   0.0000   0.0000  -3.9890   12.021  ?   ?    52.876   25.912 0.000000 25.91228 
1 1 1    3   26   39 o   57.479   26.117   5.7108   8.4793   20.040   21.525   3.0788   9.2253   66.877   33.130   54.542   25.623 12.33541 41.88277 
1 1 1    3   27    0 o   94.552   34.763   10.910   11.184   1.8743   17.041   17.747   14.822   91.200   39.408  113.970   40.260 -22.76995 56.33697 
1 1 1    3   27    1 o  219.207   21.279   64.896   11.930   54.182   16.674   76.134   17.077  193.840   34.471  233.824   28.804 -39.98398 44.92140 
1 1 1    3   27    2 o  297.667   17.236  117.723   13.233  102.723   18.567  133.210   18.865  273.284   26.564  313.457   23.403 -40.17285 35.40260 
1 1 1    3   27    3 o  169.166   28.697   40.304   12.126   62.651   18.541   23.603   16.029  207.748   35.743  126.820   41.940 80.92799 55.10479 
1 1 1    3   27    4 o  212.355   22.654   61.385   12.269   53.429   18.530   67.596   16.371  189.326   39.080  219.399   29.559 -30.07368 48.99980 
1 1 1    3   27    5 o  260.917   18.457   91.053   12.394   82.110   17.559   99.932   17.496  242.497   28.498  269.743   25.338 -27.24562 38.13281 
1 1 1    3   27    6 o  284.850   17.174  108.099   12.613  136.916   19.547   87.543   16.509  316.646   24.011  251.909   25.658 64.73718 35.14063 
1 1 1    3   27    7 o  101.924   34.775   14.405   11.013   16.098   17.636   13.323   14.100  112.336   43.142  102.994   38.807 9.342171 58.02833 
1 1 1    3   27    8 o  142.778   31.613   29.790   11.383   46.338   17.929   18.615   14.734  173.415   40.625  114.078   40.157 59.33699 57.12196 
1 1 1    3   27    9 o  218.655   23.388   65.881   13.041   63.196   17.212   69.500   19.982  208.204   33.016  215.498   37.138 -7.293900 49.69156 
1 1 1    3   27   10 o   79.720   34.329   1.9394   12.842  -4.3154   15.730   14.440   22.237   78.853   35.728  113.312   46.757 -34.45887 58.84523 
1 1 1    3   27   11 f  151.124   31.247   33.676   11.828   42.807   18.115   26.891   15.616  163.207   42.449  130.502   41.258 32.70467 59.19607 
1 1 1    3   27   12 o  206.209   23.266   59.165   12.210   65.850   17.646   53.023   16.913  210.415   33.499  186.316   36.350 24.09888 49.43159 
1 1 1    3   27   13 o   59.299   27.814  -8.5738   10.798   1.8130   18.303 -14.1180   13.372   90.026   39.816   62.020   29.631 28.00515 49.63132 
1 1 1    3   27   14 o   74.913   32.397   1.7281   11.536   16.067   17.156 -10.1066   15.586  107.623   42.212   71.370   33.457 36.25304 53.86311 
1 1 1    3   27   15 o  227.506   34.409   78.922   19.644   78.922   19.644   0.0000   0.0000  227.506   34.409  ?   ?  0.000000 34.40902 
1 1 1    3   27   16 f  208.130   22.366   60.760   11.869   63.317   18.135   58.844   15.697  201.051   36.151  197.570   31.748 3.481583 48.11269 
1 1 1    3   27   17 o   74.067   31.299   3.5934   10.326   2.3871   16.571   4.3590   13.202   85.350   37.809   81.603   34.966 3.746796 51.49900 
1 1 1    3   27   18 o   89.377   33.885   11.018   10.792   24.742   15.973  -0.5073   14.637  119.895   41.836   77.483   34.844 42.41161 54.44582 
1 1 1    3   27   19 o  135.611   34.796   29.994   12.284   28.580   25.011   30.444   14.101  122.345   49.930  133.390   38.605 -11.04532 63.11384 
1 1 1    3   27   20 o  103.024   39.498   17.357   14.766   3.1210   23.708   26.380   18.874   93.240   42.856  118.587   44.847 -25.34708 62.03090 
1 1 1    3   27   21 o  135.111   34.635   30.661   12.178   35.970   23.714   28.759   14.192  127.882   49.775  126.196   39.249 1.686874 63.38751 
1 1 1    3   27   22 o   50.573   23.642  -5.0297   7.6898  -2.1720   20.179  -5.5152   8.3174   81.644   38.209   52.209   24.464 29.43517 45.36953 
1 1 1    3   27   23 o   50.754   23.570  -4.0010   7.4436 -24.4100   20.086  -0.7518   8.0142   66.181   32.640   57.606   25.854 8.574547 41.63905 
1 1 1    3   27   24 f   62.189   26.485   2.8263   7.4916   0.0000   0.0000   2.8263   7.4916  ?   ?    62.189   26.485 0.000000 26.48536 
1 1 1    3   27   25 o  129.997   33.321   30.025   11.272   0.0000   0.0000   30.025   11.272  ?   ?   129.997   33.321 0.000000 33.32075 
1 1 1    3   27   26 o   65.808   28.013   4.1505   8.3736   38.600   19.026  -4.1257   9.3253  124.903   45.429   55.537   25.985 69.36673 52.33578 
1 1 1    3   27   27 o   96.443   30.105   16.471   8.3414   31.210   18.942   12.926   9.2907  110.421   44.021   85.493   31.640 24.92781 54.21166 
1 1 1    3   27   28 o   49.125   22.735  -2.5843   6.8390  -3.4320   15.576  -2.3819   7.6120   67.761   32.264   51.943   24.021 15.81780 40.22383 
1 1 1    3   27   29 o   81.546   29.290   11.897   7.8765   6.6700   17.275   13.268   8.8499   77.029   35.817   84.471   30.944 -7.441566 47.33229 
1 1 1    3   27   30 o   48.276   22.751  -3.8493   7.3750   8.6480   19.074  -6.0460   7.9970   77.784   36.637   47.628   22.798 30.15528 43.15079 
1 1 1    3   27   31 o   46.379   22.380  -6.9272   8.0719  -3.8760   19.746  -7.5393   8.8446   67.870   33.250   48.011   23.230 19.85958 40.56083 
1 1 1    3   27   32 o   69.713   30.238   8.4680   10.110   19.630   20.386   4.8268   11.643   81.286   38.156   65.640   30.119 15.64597 48.61160 
1 1 1    3   27   33 o   51.703   24.704  -3.4611   9.2990   20.320   18.695 -11.2789   10.719   79.865   37.177   48.275   23.815 31.59073 44.15068 
1 1 1    3   27   34 o   39.778   20.051 -20.2275   9.6007  -2.6870   19.156 -26.1112   11.095   62.943   31.194   40.698   20.634 22.24501 37.40104 
1 1 1    3   27   35 o   69.083   30.303   10.786   10.401  -6.0080   21.421   15.966   11.897   61.431   30.830   75.991   32.882 -14.55934 45.07466 
1 1 1    3   27   36 o   41.812   20.668  -9.6728   8.2134 -32.3200   19.226  -4.6166   9.0841   50.157   25.594   48.018   23.307 2.139164 34.61543 
1 1 1    3   27   37 f   64.348   29.786   10.142   11.747   0.0000   0.0000   10.142   11.747  ?   ?    64.348   29.786 0.000000 29.78599 
1 1 1    3   27   38 o   58.140   26.754   6.6715   9.2772   9.9880   22.245   5.9733   10.207   61.170   30.795   57.533   27.004 3.636951 40.95795 
1 1 1    3   28    0 o  120.981   34.771   21.986   11.476   16.489   16.368   27.299   16.093  110.393   41.760  132.086   41.898 -21.69336 59.15507 
1 1 1    3   28    1 o  201.269   23.946   56.200   12.239   56.410   18.062   56.022   16.643  192.982   37.483  194.579   34.273 -1.597015 50.79039 
1 1 1    3   28    2 o  187.117   24.818   48.919   11.732   61.970   17.307   37.821   15.959  205.118   33.747  155.865   39.484 49.25269 51.94078 
1 1 1    3   28    3 o  356.369   15.703  168.791   14.496  157.937   21.496  177.844   19.631  337.664   24.749  361.622   21.049 -23.95798 32.48923 
1 1 1    3   28    4 o  316.360   16.787  133.924   13.707  100.136   19.328  168.114   19.443  265.441   28.560  351.037   21.486 -85.59644 35.73934 
1 1 1    3   28    5 o  302.186   15.884  121.894   12.389  125.371   19.239  119.430   16.195  300.060   24.979  295.650   21.289 4.410004 32.82074 
1 1 1    3   28    6 o  148.696   30.647   32.587   11.412   19.357   18.453   40.780   14.521  115.891   44.220  163.815   35.266 -47.92379 56.56034 
1 1 1    3   28    7 o  305.108   16.738  124.919   13.178  136.445   20.736  117.111   17.067  311.533   25.932  291.094   22.817 20.43912 34.54139 
1 1 1    3   28    8 o  144.732   35.002   32.247   12.979   38.524   16.120   20.680   21.883  155.051   39.903  119.100   47.367 35.95099 61.93407 
1 1 1    3   28    9 o  131.133   37.729   27.296   13.505   26.574   17.820   28.270   20.698  127.179   44.199  129.912   47.363 -2.732834 64.78284 
1 1 1    3   28   10 o  265.604   18.994   96.218   12.981  100.904   18.309   91.482   18.409  265.416   27.007  250.989   28.839 14.42691 39.51025 
1 1 1    3   28   11 o  274.122   17.139  101.681   12.109   99.866   17.221  103.454   17.029  265.044   25.395  270.553   24.566 -5.509277 35.33279 
1 1 1    3   28   12 o   96.915   41.062   9.3095   17.848   9.3095   17.848   0.0000   0.0000   96.915   41.062  ?   ?  0.000000 41.06209 
1 1 1    3   28   13 o   70.725   30.545   1.7407   10.228  -0.6934   17.066   3.1049   12.776   82.975   37.440   78.996   34.128 3.979469 50.66053 
1 1 1    3   28   14 o   98.217   34.829   14.573   11.103   7.3213   17.435   19.520   14.402   92.552   39.927  110.046   39.597 -17.49339 56.23261 
1 1 1    3   28   15 o  135.803   31.524   28.749   10.876   8.7967   17.945   40.333   13.673   94.399   40.616  159.388   34.147 -64.98885 53.06244 
1 1 1    3   28   16 f  172.877   25.809   43.959   11.204   36.377   16.612   50.285   15.174  142.617   42.081  177.551   34.234 -34.93417 54.24760 
1 1 1    3   28   17 o   61.661   28.840  -6.6509   11.467  -2.3840   24.824  -7.8083   12.929   90.441   42.342   64.457   30.298 25.98347 52.06607 
1 1 1    3   28   18 o   90.634   37.347   11.027   14.162   61.780   24.687 -13.8700   17.291  169.452   51.604   69.003   33.160 100.4480 61.33937 
1 1 1    3   28   19 o   86.481   32.999   11.160   10.276   25.709   14.413  -3.8836   14.656  117.866   39.784   71.246   33.082 46.61988 51.74149 
1 1 1    3   28   20 o   75.729   31.044   6.8093   9.7227  -1.2003   14.965   12.660   12.790   73.744   33.952   90.182   36.098 -16.43828 49.55546 
1 1 1    3   28   21 o   93.019   35.836   14.833   12.194   14.833   12.194   0.0000   0.0000   93.019   35.836  ?   ?  0.000000 35.83559 
1 1 1    3   28   22 o   76.362   28.770   8.7567   7.7490  -3.3770   23.078   10.299   8.2266   80.831   38.701   80.739   29.794 0.9158325E-01 48.84114 
1 1 1    3   28   23 o   63.069   27.654   2.1728   8.6535   0.0000   0.0000   2.1728   8.6535  ?   ?    63.069   27.654 0.000000 27.65354 
1 1 1    3   28   24 o   72.689   30.377   6.8873   9.5572 -10.8400   20.522   11.797   10.800   70.999   34.590   83.339   33.234 -12.34063 47.96840 
1 1 1    3   28   25 o   76.757   29.863   9.5166   8.5330   9.9400   19.322   9.4140   9.5108   83.818   38.586   77.043   31.026 6.774529 49.51192 
1 1 1    3   28   26 o   82.517   29.963   12.068   8.2715   24.250   19.215   9.2973   9.1641   97.412   41.969   75.802   30.480 21.61047 51.86954 
1 1 1    3   28   27 o   52.967   23.988  -0.3129   7.0812   18.950   19.494  -3.2409   7.6003   89.161   40.143   50.200   23.479 38.96092 46.50503 
1 1 1    3   28   28 o   49.885   23.627  -4.4124   8.1388 -35.0000   19.640   1.9293   8.9428   55.692   28.146   60.361   27.182 -4.669926 39.12868 
1 1 1    3   28   29 o   63.621   27.531   5.0215   8.3410   4.7710   20.049   5.0739   9.1725   73.390   35.378   64.772   28.434 8.618210 45.38794 
1 1 1    3   28   30 o   65.827   27.883   6.8297   8.2262  -6.9530   20.137   9.5906   9.0125   64.994   32.170   71.671   29.686 -6.677437 43.77408 
1 1 1    3   28   31 o  110.343   30.762   25.184   9.1222   40.960   21.041   21.533   10.123   96.997   42.805   95.576   33.307 1.421745 54.23658 
1 1 1    3   28   32 f   53.497   25.889  -4.1153   10.997  -6.3860   16.783  -2.4070   14.557   59.267   29.341   59.440   28.997 -0.1734657 41.25171 
1 1 1    3   28   33 o   61.326   27.895   5.6421   9.7058  -9.2870   20.162   10.145   11.073   59.378   29.815   67.923   30.444 -8.544678 42.61190 
1 1 1    3   28   34 o   39.619   19.697 -11.4298   7.8738  -7.8230   20.702 -12.0398   8.5136   58.943   29.678   40.918   20.365 18.02557 35.99330 
1 1 1    3   28   35 o   50.538   24.102  -0.7053   8.7664 -30.6200   20.197   6.2385   9.7308   50.621   25.863   59.793   27.473 -9.172577 37.73130 
1 1 1    3   28   36 o   52.047   24.843   0.9776   9.3548   0.0000   0.0000   0.9776   9.3548  ?   ?    52.047   24.843 0.000000 24.84285 
1 1 1    3   28   37 o   44.871   21.814  -3.1208   8.0425 -21.3800   22.358  -0.4070   8.6195   51.382   26.326   48.434   23.309 2.948051 35.16224 
1 1 1    3   29    0 o  219.672   22.164   67.217   12.439   71.493   17.801   63.135   17.390  218.410   32.450  203.602   34.184 14.80705 47.13379 
1 1 1    3   29    1 o  292.483   18.220  116.215   13.735   94.950   20.572  133.318   18.450  252.249   32.221  308.941   23.225 -56.69125 39.71923 
1 1 1    3   29    2 o  289.928   17.774  113.981   13.284  129.559   20.513  102.729   17.434  301.113   26.573  269.116   25.306 31.99741 36.69491 
1 1 1    3   29    3 o  139.361   32.958   29.867   11.710   31.860   17.237   28.159   15.959  136.975   43.351  130.074   41.772 6.900894 60.20141 
1 1 1    3   29    4 o  159.740   29.665   37.941   11.823   53.480   19.350   28.684   14.935  179.114   42.369  131.883   40.132 47.23143 58.35813 
1 1 1    3   29    5 o  304.811   17.381  125.940   13.667  138.268   20.452  115.995   18.370  311.584   25.566  285.756   25.071 25.82837 35.80750 
1 1 1    3   29    6 o  369.770   14.516  182.608   13.904  174.850   21.377  188.296   18.304  352.661   23.536  370.985   19.113 -18.32397 30.31905 
1 1 1    3   29    7 o  161.406   35.766   41.288   14.560   39.468   18.712   44.080   23.180  149.532   44.791  152.119   50.443 -2.587326 67.45900 
1 1 1    3   29    8 o  149.587   31.961   34.438   12.008   27.216   15.659   44.750   18.711  126.521   41.435  160.038   43.841 -33.51630 60.32330 
1 1 1    3   29    9 o   75.854   32.467   3.3123   11.360   19.731   17.038  -9.8273   15.242  111.036   42.461   69.569   32.762 41.46742 53.63104 
1 1 1    3   29   10 f  165.109   26.440   40.036   10.926   33.748   17.600   43.979   13.938  137.219   43.846  167.739   33.253 -30.51968 55.02920 
1 1 1    3   29   11 o  193.262   24.299   53.872   11.895   61.110   18.255   48.532   15.681  193.066   37.855  173.183   36.126 19.88318 52.32653 
1 1 1    3   29   12 o  203.178   23.061   59.124   11.922   78.048   18.947   46.723   15.339  222.327   33.979  169.186   36.100 53.14018 49.57642 
1 1 1    3   29   13 o  130.167   30.886   26.693   10.257   21.176   16.687   30.044   13.004  110.712   42.097  133.579   36.530 -22.86722 55.73704 
1 1 1    3   29   14 o   69.600   31.136  -0.0994   11.523   22.120   25.901  -5.5827   12.867  112.100   48.511   66.342   30.868 45.75761 57.49957 
1 1 1    3   29   15 o  153.226   40.873   42.678   16.522  -5.2670   27.097   71.050   20.844   89.450   42.581  198.942   41.779 -109.4919 59.65429 
1 1 1    3   29   16 o  105.004   36.394   19.162   12.078   20.582   15.928   17.240   18.528  106.362   40.962  101.317   42.314 5.044914 58.89241 
1 1 1    3   29   17 o  118.937   32.631   23.926   10.356   29.745   15.735   19.478   13.756  122.953   41.569  103.646   38.472 19.30725 56.63953 
1 1 1    3   29   18 o   83.418   32.618   10.549   10.220  -8.0524   14.973   26.772   13.984   66.647   31.705  117.660   39.186 -51.01320 50.40631 
1 1 1    3   29   19 o   68.222   29.254   3.9580   9.2538  -9.3932   13.455   15.940   12.747   61.627   29.518   94.218   36.543 -32.59067 46.97552 
1 1 1    3   29   20 o   82.874   30.705   11.289   8.7544   14.470   11.572   7.0327   13.387   90.197   34.864   78.568   34.423 11.62931 48.99457 
1 1 1    3   29   21 o   64.512   30.384  -3.9584   13.117  -7.3730   17.595   0.3132   19.680   69.374   33.366   77.625   36.759 -8.251411 49.64354 
1 1 1    3   29   22 o   73.133   33.588   3.0326   14.524 -20.3200   22.809   18.960   18.837   68.434   33.937   93.450   40.892 -25.01588 53.14007 
1 1 1    3   29   23 o   51.690   24.324  -4.3243   8.3730  -8.8960   21.980  -3.5483   9.0557   72.037   35.246   54.583   25.561 17.45406 43.53887 
1 1 1    3   29   24 o   85.590   29.863   13.317   8.1387 -13.8200   20.712   18.272   8.8506   67.177   33.134   98.749   31.041 -31.57162 45.40290 
1 1 1    3   29   25 o  109.117   28.597   21.273   8.1808   18.830   20.428   21.740   8.9281   87.906   40.172  107.847   30.563 -19.94054 50.47647 
1 1 1    3   29   26 o   56.933   25.580   1.3115   7.8681  -3.5450   20.297   2.1703   8.5355   69.874   34.120   59.723   26.751 10.15152 43.35685 
1 1 1    3   29   27 o   49.290   23.261  -3.4571   7.7584   11.370   19.429  -6.2699   8.4624   77.471   36.637   48.138   23.149 29.33277 43.33797 
1 1 1    3   29   28 o   52.723   24.675  -1.5445   8.4172  -2.2400   20.196  -1.3983   9.2597   67.266   33.089   54.739   25.702 12.52677 41.89796 
1 1 1    3   29   29 o   46.471   22.346  -5.1886   7.8830 -24.9100   19.937  -1.5343   8.5823   56.095   28.351   52.297   24.615 3.797466 37.54567 
1 1 1    3   29   30 o   49.737   24.183  -6.0610   9.8951  -5.5360   18.477  -6.2721   11.717   60.998   30.300   52.909   25.855 8.089359 39.83143 
1 1 1    3   29   31 f   42.931   21.627 -19.7604   11.073 -29.0300   17.691 -13.7900   14.198   50.082   25.460   51.294   25.649 -1.211792 36.13956 
1 1 1    3   29   32 o   41.580   20.422  -7.8555   7.5981 -41.3100   19.852  -2.1139   8.2243   48.536   24.864   48.670   23.248 -0.1337624 34.03941 
1 1 1    3   29   33 o   63.804   28.839   9.2449   10.176   14.030   21.394   7.8457   11.569   65.927   32.724   62.078   29.013 3.848553 43.73321 
1 1 1    3   29   34 o   44.348   22.193 -12.2749   10.721  -8.9430   20.626 -13.5084   12.550   55.578   28.174   46.653   23.439 8.925404 36.64893 
1 1 1    3   29   35 o   45.558   23.188 -22.1200   15.011   0.0000   0.0000 -22.1200   15.011  ?   ?    45.558   23.188 0.000000 23.18834 
1 1 1    3   29   36 o   38.939   19.751 -18.3516   10.236   4.6280   21.462 -25.1185   11.646   55.962   28.407   38.882   19.847 17.08041 34.65363 
1 1 1    3   30    0 o  112.565   35.855   20.647   11.777   26.374   17.309   15.711   16.069  122.047   43.464  102.649   40.664 19.39815 59.52031 
1 1 1    3   30    1 o  188.138   24.925   51.318   11.848   55.402   16.635   47.113   16.878  185.708   35.879  167.116   39.597 18.59210 53.43435 
1 1 1    3   30    2 o  102.187   35.515   16.471   11.506  -8.2850   16.412   40.401   16.136   73.114   34.293  153.619   40.115 -80.50523 52.77582 
1 1 1    3   30    3 o  133.215   31.648   27.823   10.759   15.381   15.901   38.329   14.611  101.741   40.404  152.000   37.372 -50.25869 55.03813 
1 1 1    3   30    4 o  141.967   32.472   31.822   11.682   10.072   16.652   52.899   16.393   94.060   39.747  180.472   36.323 -86.41263 53.84423 
1 1 1    3   30    5 o  209.877   21.370   62.206   11.456   68.358   18.335   58.266   14.672  206.235   35.608  195.765   29.881 10.46953 46.48450 
1 1 1    3   30    6 o   97.224   37.661   14.120   13.526  -7.9776   16.726   55.880   22.993   73.565   34.542  168.054   49.486 -94.48949 60.34875 
1 1 1    3   30    7 o  256.220   21.509   92.903   14.143   94.011   18.465   91.330   21.998  249.319   29.141  235.704   37.270 13.61472 47.31046 
1 1 1    3   30    8 f  203.835   22.669   59.663   11.766   61.901   16.581   57.393   16.700  196.844   33.732  187.275   35.730 9.569611 49.13787 
1 1 1    3   30    9 o   88.812   33.816   11.499   10.777   4.5618   16.463   16.701   14.257   85.028   37.675  101.318   38.819 -16.28988 54.09549 
1 1 1    3   30   10 o  129.275   32.743   27.326   10.976   14.236   16.896   36.884   14.438   97.866   40.600  145.684   37.899 -47.81857 55.54009 
1 1 1    3   30   11 o  181.521   29.061   51.054   13.203   46.580   22.635   53.361   16.255  145.781   49.854  177.435   36.583 -31.65440 61.83694 
1 1 1    3   30   12 o   79.588   35.718   2.8099   15.295 -13.6600   25.620   11.930   19.065   81.667   39.520   94.754   41.309 -13.08731 57.16842 
1 1 1    3   30   13 o   92.782   35.526   14.023   11.936   3.2116   16.981   24.580   16.781   81.853   37.102  111.977   42.302 -30.12373 56.26750 
1 1 1    3   30   14 o   73.942   31.045   5.7662   10.054  -1.9605   14.726   12.513   13.761   72.143   33.379   89.979   36.914 -17.83572 49.76786 
1 1 1    3   30   15 f   81.720   32.217   9.9764   10.042  -2.8007   16.934   16.906   12.471   74.371   34.868   96.994   36.506 -22.62273 50.48173 
1 1 1    3   30   16 o   92.532   31.298   14.671   8.9196 -10.3500   12.235   43.051   13.031   57.770   27.795  158.206   32.871 -100.4363 43.04734 
1 1 1    3   30   17 o   81.881   32.047   10.800   9.8724   8.5570   15.436   12.353   12.842   82.370   36.490   86.168   35.542 -3.798302 50.93885 
1 1 1    3   30   18 o   94.944   34.592   17.076   11.038   28.230   18.583   10.995   13.721  107.690   43.367   83.350   35.679 24.34024 56.15778 
1 1 1    3   30   19 o   63.323   29.579  -2.2553   11.999  -6.9330   16.156   3.5000   17.920   66.573   32.007   77.190   36.087 -10.61761 48.23598 
1 1 1    3   30   20 o   73.836   31.592   7.5423   10.749   13.319   13.556  -2.2410   17.642   84.621   35.816   71.282   34.050 13.33855 49.41808 
1 1 1    3   30   21 o   54.435   25.342  -2.5389   8.6901  -7.3532   11.959   2.8470   12.649   57.295   27.544   68.796   31.503 -11.50142 41.84673 
1 1 1    3   30   22 o   83.334   30.339   12.915   8.4887   22.883   11.035  -1.5308   13.285  104.550   34.810   64.460   30.426 40.08974 46.23333 
1 1 1    3   30   23 o   68.831   27.325   7.5242   7.2704   13.740   18.864   6.4398   7.8791   81.959   37.870   66.839   27.727 15.11962 46.93541 
1 1 1    3   30   24 o   83.545   29.264   13.338   7.8194   15.340   19.178   12.939   8.5636   81.680   37.897   81.462   30.331 0.2178421 48.54019 
1 1 1    3   30   25 o   91.510   30.645   17.053   8.5506   8.8440   19.298   19.058   9.5379   74.707   35.665   94.332   32.361 -19.62456 48.15837 
1 1 1    3   30   26 o   36.375   18.303 -18.1336   7.8077   2.9650   19.060 -22.3882   8.5588   68.934   33.528   36.423   18.428 32.51154 38.25880 
1 1 1    3   30   27 o   87.288   30.980   16.995   8.7868   43.360   20.785   11.258   9.6958   98.926   43.130   72.746   30.512 26.17996 52.83143 
1 1 1    3   30   28 o   95.018   28.781   18.842   7.6940   4.0410   18.992   21.748   8.4156   65.757   32.294  100.645   30.014 -34.88805 44.08789 
1 1 1    3   30   29 o   51.034   24.496  -2.4416   9.3744   22.550   16.811 -13.7199   11.293   77.395   35.758   46.350   23.131 31.04448 42.58687 
1 1 1    3   30   30 o   39.899   20.029 -15.5981   9.0690 -32.2200   17.820  -9.7881   10.535   48.238   24.617   46.610   23.106 1.628498 33.76188 
1 1 1    3   30   31 o   52.603   24.763   1.5114   8.6933   22.530   20.779  -2.9483   9.5713   69.607   34.102   49.356   23.949 20.25080 41.67137 
1 1 1    3   30   32 o   44.096   21.534  -5.0345   8.0890   20.760   21.006  -9.5253   8.7649   66.548   32.925   42.060   20.888 24.48854 38.99179 
1 1 1    3   30   33 o   61.392   28.205   9.9442   10.254   0.0000   0.0000   9.9442   10.254  ?   ?    61.392   28.205 0.000000 28.20525 
1 1 1    3   30   34 o   51.823   25.642   0.1553   12.755  -1.4820   19.153   1.4600   17.098   53.905   27.306   54.346   27.311 -0.4404182 38.62046 
1 1 1    3   30   35 f   39.872   19.912  -8.6001   8.4355   14.320   21.765 -12.6517   9.1508   56.663   28.747   38.897   19.603 17.76559 34.79481 
1 1 1    3   31    0 o  195.452   23.868   56.054   11.833   46.850   17.343   64.070   16.185  159.809   41.520  200.026   32.342 -40.21678 52.63039 
1 1 1    3   31    1 o  308.102   16.627  130.604   13.220  111.019   17.861  154.336   19.661  273.457   25.509  325.801   23.454 -52.34390 34.65300 
1 1 1    3   31    2 o   80.882   33.135   7.8604   11.068   3.9328   16.123   11.361   15.221   82.736   36.934   91.551   38.304 -8.815620 53.20966 
1 1 1    3   31    3 o   53.551   25.697 -10.6202   10.301  -1.2146   14.456 -20.3223   14.682   73.877   33.774   58.344   28.601 15.53285 44.25752 
1 1 1    3   31    4 o   64.322   29.512  -2.9368   11.176   29.793   16.828 -28.7656   14.949  123.584   42.950   54.140   26.952 69.44431 50.70657 
1 1 1    3   31    5 o  108.202   42.083   21.770   16.941   30.540   24.242   13.400   23.684  118.238   48.807   99.403   44.540 18.83546 66.07559 
1 1 1    3   31    6 o  151.794   39.875   42.223   15.882   71.580   25.808   24.330   20.148  178.200   52.415  110.822   44.971 67.37784 69.06319 
1 1 1    3   31    7 o   73.959   33.943  -0.9899   14.798   20.040   23.422 -14.9600   19.090  104.789   45.732   70.459   34.101 34.33072 57.04625 
1 1 1    3   31    8 o  191.200   33.833   61.114   16.143   51.100   24.417   68.890   21.517  144.440   51.603  186.669   45.021 -42.22868 68.48156 
1 1 1    3   31    9 o   92.869   35.963   14.436   12.331  -2.9222   16.588   35.870   18.433   74.441   34.774  129.147   44.948 -54.70560 56.82954 
1 1 1    3   31   10 o  147.074   34.123   37.447   12.748   51.041   16.043   14.160   20.998  167.731   37.828   95.177   42.342 72.55370 56.77865 
1 1 1    3   31   11 o   82.525   32.950   10.287   10.627   2.0578   15.995   16.791   14.220   77.254   35.394   96.001   38.182 -18.74702 52.06392 
1 1 1    3   31   12 f   73.017   30.425   6.3927   9.5483   21.114   15.137  -3.3355   12.305  102.362   39.788   64.500   30.070 37.86137 49.87290 
1 1 1    3   31   13 o  174.594   24.164   46.913   10.635   52.470   15.435   41.890   14.674  168.952   36.348  147.350   38.147 21.60191 52.69148 
1 1 1    3   31   14 o   83.669   31.917   11.912   9.6117   20.810   15.435   6.2763   12.284   99.106   39.660   75.299   32.984 23.80625 51.58360 
1 1 1    3   31   15 o  172.718   24.220   46.684   10.538   60.026   17.331   38.858   13.273  172.966   39.544  142.414   35.971 30.55150 53.45692 
1 1 1    3   31   16 o  131.851   33.217   32.297   11.339   20.500   21.900   36.618   13.255   93.299   42.226  135.262   36.836 -41.96302 56.03486 
1 1 1    3   31   17 o   90.320   35.453   16.686   12.111   1.0660   16.514   34.860   17.814   72.122   34.006  114.448   43.500 -42.32618 55.21519 
1 1 1    3   31   18 o   58.456   27.427  -2.6635   10.511  -4.3948   14.003  -0.4290   15.908   63.365   30.287   69.347   32.900 -5.982128 44.71753 
1 1 1    3   31   19 o   74.912   30.514   9.5979   9.3190   12.080   14.224   7.7313   12.335   80.272   35.319   73.534   32.595 6.738937 48.06145 
1 1 1    3   31   20 f   75.162   29.594   10.063   8.4631   19.596   11.601  -0.7838   12.374   93.751   35.224   62.864   29.579 30.88737 45.99581 
1 1 1    3   31   21 o   75.054   29.562   10.326   8.4479   6.4716   11.125   15.575   12.983   69.225   30.807   83.410   35.163 -14.18456 46.74957 
1 1 1    3   31   22 f   70.574   28.798   8.7151   8.3185   3.4449   11.411   14.692   12.152   64.705   29.737   81.120   34.099 -16.41553 45.24407 
1 1 1    3   31   23 o   80.298   36.787   17.160   17.274   17.160   17.274   0.0000   0.0000   80.298   36.787  ?   ?  0.000000 36.78696 
1 1 1    3   31   24 o   39.075   19.489 -14.3617   7.9692   8.7790   16.434 -21.4763   9.1123   70.894   33.577   38.301   19.335 32.59259 38.74582 
1 1 1    3   31   25 o   44.977   21.725  -5.6273   7.6521 -45.0900   17.022   4.3667   8.5664   45.693   23.378   59.763   26.782 -14.07022 35.55011 
1 1 1    3   31   26 o   61.210   26.406   6.2744   7.6264 -14.8200   16.877   11.687   8.5490   54.473   27.342   72.209   29.297 -17.73613 40.07344 
1 1 1    3   31   27 o   51.784   24.848  -1.7345   9.6314   8.2780   17.590  -6.0219   11.510   65.177   31.812   51.214   25.150 13.96248 40.55295 
1 1 1    3   31   28 o   75.012   33.104   18.652   12.586   12.060   17.769   25.290   17.831   65.654   32.030   74.977   35.347 -9.323524 47.70055 
1 1 1    3   31   29 o   43.173   21.128  -5.9179   7.9095   6.0910   19.034  -8.4244   8.6959   60.915   30.339   42.937   21.232 17.97796 37.03105 
1 1 1    3   31   30 o   53.276   25.177   2.7861   9.1444 -15.7500   20.582   7.3447   10.207   52.810   26.906   59.071   27.488 -6.260612 38.46427 
1 1 1    3   31   31 o   82.359   31.657   21.280   9.5007  -0.9790   21.776   26.513   10.559   56.117   28.499   88.930   33.565 -32.81278 44.03156 
1 1 1    3   31   32 o   36.374   18.400 -16.1854   8.5099   0.0000   0.0000 -16.1854   8.5099  ?   ?    36.374   18.400 0.000000 18.40042 
1 1 1    3   31   33 o   57.449   26.740   9.6501   9.6699  -4.1000   17.280   15.919   11.668   50.531   25.634   62.674   29.240 -12.14323 38.88510 
1 1 1    3   31   34 o   43.640   21.895  -6.3279   10.761 -23.0400   21.384  -0.6610   12.453   46.317   23.830   47.971   23.992 -1.654202 33.81582 
1 1 1    3   32    0 o   72.117   31.710   3.6976   11.448   5.8221   13.705  -1.2090   20.827   78.562   34.614   80.537   38.040 -1.975693 51.43077 
1 1 1    3   32    1 o  196.346   26.726   60.217   13.239   50.230   17.038   75.440   21.034  160.663   40.849  196.207   42.607 -35.54372 59.02557 
1 1 1    3   32    2 o  326.142   17.453  149.760   14.691  148.785   17.722  151.900   26.263  318.391   21.617  295.685   34.967 22.70654 41.10933 
1 1 1    3   32    3 o  209.881   27.307   69.424   14.494   73.897   17.779   60.560   25.027  206.517   34.450  151.291   52.390 55.22566 62.70183 
1 1 1    3   32    4 o  170.143   31.239   48.373   13.260   37.939   15.242   80.860   26.894  138.064   40.187  177.562   53.814 -39.49878 67.16346 
1 1 1    3   32    5 o  132.046   36.868   32.837   13.093   34.107   17.085   31.030   20.382  124.210   43.271  113.626   45.538 10.58451 62.81736 
1 1 1    3   32    6 o  220.064   19.950   70.508   11.248   65.158   16.180   75.512   15.649  193.958   33.411  215.911   28.691 -21.95276 44.03926 
1 1 1    3   32    7 o  207.327   21.809   64.155   11.537   74.515   18.069   57.024   14.990  203.519   35.570  180.932   33.209 22.58748 48.66258 
1 1 1    3   32    8 o   66.428   29.076   3.1869   9.5304  -9.3368   13.515   15.574   13.441   60.814   29.247   91.311   36.844 -30.49744 47.04132 
1 1 1    3   32    9 o   70.174   29.942   5.4757   9.6077 -10.9769   15.288   16.214   12.351   62.802   30.424   92.126   35.904 -29.32393 47.06128 
1 1 1    3   32   10 o  158.766   25.658   40.300   10.192   46.312   14.806   34.885   14.051  153.936   37.482  129.556   38.816 24.37938 53.95883 
1 1 1    3   32   11 o   63.876   28.273   2.6044   9.2475   9.7365   14.791  -1.9727   11.849   80.747   35.748   63.105   29.449 17.64226 46.31586 
1 1 1    3   32   12 o   49.106   24.141 -14.2819   10.699   0.8246   19.215 -21.0694   12.880   75.082   35.773   50.358   25.061 24.72484 43.67830 
1 1 1    3   32   13 f  109.693   39.606   28.318   14.423   20.820   20.605   35.520   20.195   91.708   41.282  109.634   44.819 -17.92616 60.93373 
1 1 1    3   32   14 o   76.220   33.918   8.6909   13.484   23.540   22.312   0.1479   16.923   92.235   42.085   70.746   33.670 21.48899 53.89669 
1 1 1    3   32   15 o   54.662   25.879  -4.0919   9.7450 -10.5120   12.569   5.5830   15.430   55.348   26.988   73.337   34.014 -17.98934 43.42023 
1 1 1    3   32   16 o   60.431   27.249   2.0025   9.0215  -5.6512   13.155   8.7973   12.395   59.751   28.766   74.198   32.793 -14.44640 43.62199 
1 1 1    3   32   17 o  111.083   32.202   24.727   9.8046   25.398   14.286   24.130   13.481   98.860   38.590   98.177   37.716 0.6831284 53.96009 
1 1 1    3   32   18 o   74.117   29.603   10.154   8.5816   8.2136   11.583   12.516   12.778   71.491   31.643   77.995   33.912 -6.504051 46.38255 
1 1 1    3   32   19 o   66.058   28.609   6.3830   9.0225   11.389   12.533   0.9981   12.999   75.389   33.162   63.635   30.055 11.75417 44.75560 
1 1 1    3   32   20 o   53.623   25.061  -1.1052   8.6320   5.0968   11.559  -8.9260   12.980   65.696   30.095   54.962   26.933 10.73484 40.38664 
1 1 1    3   32   21 o   79.903   29.115   13.179   7.8200   12.560   10.069   14.120   12.414   75.754   31.378   76.937   33.439 -1.182381 45.85562 
1 1 1    3   32   22 o   54.749   24.974   1.7175   7.8493  -8.1351   10.138   16.462   12.402   48.914   23.933   78.911   33.853 -29.99794 41.45925 
1 1 1    3   32   23 o   64.751   28.911   7.5583   9.8855   17.870   17.000   2.2900   12.151   75.020   35.096   60.134   28.594 14.88652 45.26980 
1 1 1    3   32   24 o   71.082   27.565   10.916   7.2520   6.6930   17.784   11.759   7.9424   64.842   31.721   72.151   28.586 -7.309120 42.70143 
1 1 1    3   32   25 o   50.652   24.003  -0.3758   8.4211   22.700   17.562  -7.2656   9.5962   73.937   34.925   46.464   22.847 27.47275 41.73406 
1 1 1    3   32   26 o   70.363   31.981   16.278   12.726   22.260   16.621   7.8020   19.783   72.169   34.055   62.247   30.991 9.921883 46.04540 
1 1 1    3   32   27 o   56.158   26.448   4.6384   9.9347   24.720   18.230  -3.8456   11.849   70.155   33.797   50.739   25.033 19.41664 42.05803 
1 1 1    3   32   28 o   67.785   28.235   12.548   8.2193   16.090   19.942   11.824   9.0211   62.538   31.133   65.117   28.401 -2.579346 42.14105 
1 1 1    3   32   29 o   48.618   23.388   0.2275   8.6569   8.9030   20.949  -1.5591   9.5066   58.110   29.333   48.048   23.438 10.06234 37.54651 
1 1 1    3   32   30 o   58.830   26.552   9.3079   8.5893   8.4570   22.762   9.4492   9.2750   56.384   28.684   58.584   26.882 -2.200100 39.31201 
1 1 1    3   32   31 o   44.259   22.002  -4.9231   9.8170   0.0000   0.0000  -4.9231   9.8170  ?   ?    44.259   22.002 0.000000 22.00214 
1 1 1    3   32   32 o   40.035   19.781  -4.5752   7.4932   4.6360   17.016  -6.7913   8.3461   51.333   25.974   39.937   19.923 11.39579 32.73452 
1 1 1    3   32   33 o   56.713   27.061   14.716   11.081   18.320   22.017   13.494   12.823   52.492   26.834   54.146   26.581 -1.654335 37.77053 
1 1 1    3   33    0 o  143.153   33.721   38.076   12.298   30.300   22.606   41.346   14.657  102.891   44.915  140.902   38.886 -38.01128 59.40959 
1 1 1    3   33    1 o   75.733   32.373   8.2213   11.268   21.120   20.238   2.4268   13.564   94.298   41.778   70.597   32.436 23.70169 52.89160 
1 1 1    3   33    2 o   77.742   35.053   7.4919   14.928   9.3960   21.912   5.8430   20.392   83.733   39.387   80.211   37.810 3.522858 54.59790 
1 1 1    3   33    3 f  103.824   39.563   24.871   14.758   45.020   22.901   10.560   19.300  119.662   48.160   83.309   38.428 36.35272 61.61247 
1 1 1    3   33    4 o  146.818   31.402   38.562   11.581   21.300   21.266   45.839   13.808   93.259   41.963  154.685   35.246 -61.42612 54.80178 
1 1 1    3   33    5 o  130.456   35.159   33.498   12.150   16.110   22.801   40.394   14.358   88.021   41.001  138.201   38.616 -50.18005 56.32315 
1 1 1    3   33    6 o   70.731   30.631   6.3156   10.341   4.4920   19.506   7.0286   12.197   77.236   36.581   73.741   32.563 3.495750 48.97453 
1 1 1    3   33    7 o  154.020   31.816   43.292   12.273   28.350   23.453   48.927   14.403   96.758   43.753  156.954   36.169 -60.19559 56.76748 
1 1 1    3   33    8 o   62.318   29.576  -3.2071   12.879 -10.1500   16.935   6.3150   19.833   63.559   31.064   77.712   36.829 -14.15264 48.18064 
1 1 1    3   33    9 o  192.982   31.018   67.440   14.980   61.380   21.888   72.780   20.546  141.073   48.987  170.500   45.624 -29.42690 66.94226 
1 1 1    3   33   10 o  185.719   26.677   58.428   12.465   44.953   15.836   80.370   20.209  136.458   41.281  186.024   42.826 -49.56625 59.48262 
1 1 1    3   33   11 o   83.884   33.856   14.816   11.352   9.5984   14.199   24.060   18.900   75.878   34.202   91.550   40.476 -15.67155 52.99151 
1 1 1    3   33   12 o   67.415   29.139   6.3572   9.3224   6.1660   13.363   6.5385   13.011   70.743   32.390   70.907   32.270 -0.1646118 45.72158 
1 1 1    3   33   13 o   98.567   30.771   19.370   8.7139   18.104   13.098   20.375   11.672   86.720   35.843   93.234   35.265 -6.513855 50.28249 
1 1 1    3   33   14 o  120.696   31.250   28.703   9.8470   16.295   15.591   36.936   12.701   81.558   36.370  128.082   36.506 -46.52319 51.53151 
1 1 1    3   33   15 o   93.101   31.256   18.178   8.8953   5.1563   13.578   27.968   11.774   68.022   31.670  108.620   35.946 -40.59772 47.90764 
1 1 1    3   33   16 o   47.252   22.630  -4.9683   7.9026  -5.2476   10.120  -4.5316   12.651   52.388   25.224   57.601   27.849 -5.213142 37.57420 
1 1 1    3   33   17 o   48.299   23.173  -4.8776   8.3701  -3.4099   12.054  -6.2441   11.631   57.054   27.485   54.054   26.268 3.000622 38.01862 
1 1 1    3   33   18 f   49.971   23.926  -3.9543   8.8223  -4.8608   11.902  -2.8487   13.144   55.051   26.710   58.396   28.270 -3.345020 38.89287 
1 1 1    3   33   19 o   54.459   24.806   1.8643   7.7085   5.4405   9.5533  -4.8090   13.050   62.159   28.033   56.097   27.385 6.061787 39.18931 
1 1 1    3   33   20 o   53.576   24.836   1.0716   8.2108   7.8329   11.625  -5.6583   11.598   65.423   30.048   52.633   25.721 12.78994 39.55283 
1 1 1    3   33   21 o   76.313   30.053   14.139   8.7287   12.608   12.170   15.762   12.526   69.896   31.570   73.789   32.771 -3.892265 45.50420 
1 1 1    3   33   22 o   79.500   30.081   15.883   8.4941   24.703   11.928   6.8094   12.099   87.434   34.908   61.828   29.139 25.60597 45.47143 
1 1 1    3   33   23 o   71.239   28.602   12.666   8.0562   7.3416   10.589   19.983   12.414   60.713   28.166   75.836   33.190 -15.12288 43.53004 
1 1 1    3   33   24 o   78.588   32.553   20.587   10.839   24.180   18.141   18.592   13.516   69.969   33.710   70.245   32.313 -0.2761383 46.69553 
1 1 1    3   33   25 o   45.107   22.397  -7.6236   10.057   16.760   17.800 -19.0554   12.188   63.649   31.260   42.794   21.689 20.85506 38.04792 
1 1 1    3   33   26 o   43.362   21.186  -3.9634   7.8557  -8.1050   18.619  -3.0665   8.6647   52.077   26.438   45.585   22.267 6.492428 34.56519 
1 1 1    3   33   27 o   40.276   19.805  -5.3817   7.2133 -34.0500   19.581  -0.8804   7.7589   45.558   23.416   45.607   21.991 -0.4853821E-01 32.12310 
1 1 1    3   33   28 o   67.159   28.467   14.764   8.5837   18.720   20.748   13.947   9.4284   58.525   29.498   63.817   28.383 -5.292046 40.93555 
1 1 1    3   33   29 o   37.628   19.101 -16.4922   9.7056   0.0000   0.0000 -16.4922   9.7056  ?   ?    37.628   19.101 0.000000 19.10090 
1 1 1    3   33   30 o   37.134   18.921 -18.2668   10.202 -30.4600   21.252 -14.6155   11.630   44.432   22.903   40.530   20.607 3.902550 30.80939 
1 1 1    3   33   31 o   67.414   28.469   18.307   8.5339   22.110   19.325   17.386   9.5115   53.882   27.309   62.330   28.054 -8.448505 39.15092 
1 1 1    3   34    0 o  147.799   39.698   50.490   15.521   50.490   15.521   0.0000   0.0000  147.799   39.698  ?   ?  0.000000 39.69832 
1 1 1    3   34    1 o  139.992   33.474   39.066   11.974   40.793   14.595   35.510   20.942  130.188   39.685  100.711   43.602 29.47729 58.95800 
1 1 1    3   34    2 o  109.503   35.651   26.865   11.599   39.463   15.330  10.0000   17.738  123.441   41.026   76.684   35.867 46.75733 54.49353 
1 1 1    3   34    3 o   74.129   30.403   10.004   9.3312   18.681   12.795   0.1470   13.638   88.578   35.875   64.666   30.616 23.91158 47.16292 
1 1 1    3   34    4 o   80.239   31.752   13.059   9.7881   26.199   14.384   1.7251   13.358   99.143   38.716   65.650   30.839 33.49361 49.49749 
1 1 1    3   34    5 o   56.604   26.296  -0.5522   9.2783   2.2838   14.087  -2.7254   12.331   66.757   31.456   59.869   28.561 6.888287 42.48779 
1 1 1    3   34    6 o   55.497   26.073  -1.8225   9.5540   14.857   13.529 -18.4142   13.494   80.799   35.013   51.057   25.448 29.74226 43.28436 
1 1 1    3   34    7 o   64.692   28.829   4.9980   9.7788 -12.1160   14.929   17.860   12.942   56.861   28.062   85.428   35.494 -28.56664 45.24705 
1 1 1    3   34    8 o   76.267   29.410   11.364   8.2195   17.730   12.468   6.4711   10.931   85.198   35.067   67.631   30.285 17.56702 46.33406 
1 1 1    3   34    9 o   61.082   27.636   3.2836   9.3716  -8.4375   13.763   13.417   12.797   56.790   27.808   77.530   33.820 -20.74003 43.78496 
1 1 1    3   34   10 f   64.518   28.685   5.5941   9.6222   1.7318   13.983   9.0680   13.261   64.458   30.657   71.370   32.519 -6.912216 44.69114 
1 1 1    3   34   11 o   55.525   25.610   0.6636   8.5700  -0.2473   12.127   1.5723   12.113   60.186   28.603   61.930   29.177 -1.743664 40.85886 
1 1 1    3   34   12 f  122.234   29.745   29.395   9.3285   26.746   13.922   31.553   12.567   95.415   37.833  110.512   37.151 -15.09650 53.02377 
1 1 1    3   34   13 o   47.130   22.743  -5.6372   8.3376  -3.1838   11.892  -8.0093   11.693   56.469   27.227   52.391   25.650 4.077518 37.40618 
1 1 1    3   34   14 o   78.308   30.263   13.656   8.7181   22.145   11.983   4.1084   12.708   89.648   35.241   63.497   29.906 26.15146 46.22036 
1 1 1    3   34   15 o   89.943   30.925   18.445   8.7129   18.417   11.586   18.483   13.218   82.260   33.825   79.847   34.604 2.413231 48.38973 
1 1 1    3   34   16 o   52.532   24.489   0.3639   8.1593   9.5663   11.200 -10.0450   11.911   67.539   30.416   50.155   24.810 17.38338 39.25125 
1 1 1    3   34   17 o   66.097   28.276   9.0725   8.6085   13.386   11.598   3.7813   12.846   71.652   31.692   60.950   29.098 10.70150 43.02372 
1 1 1    3   34   18 o   75.848   29.663   14.062   8.4526  -3.9165   12.579   28.861   11.413   53.881   26.426   99.867   35.323 -45.98614 44.11355 
1 1 1    3   34   19 o   54.440   25.292   2.7966   8.5859   9.4607   12.291  -3.5537   11.999   63.960   29.897   52.609   25.803 11.35158 39.49212 
1 1 1    3   34   20 o   55.894   25.257   4.9132   7.7991   6.9660   10.373   2.2438   11.829   59.786   27.784   55.869   26.992 3.917400 38.73656 
1 1 1    3   34   21 o   50.852   23.879   1.8005   7.9959   8.6225   11.752  -4.0790   10.910   60.446   28.558   49.231   24.237 11.21440 37.45649 
1 1 1    3   34   22 o   51.262   25.433  -2.7532   12.864   4.0190   17.816 -10.1300   18.595   56.985   28.530   52.175   26.480 4.809734 38.92493 
1 1 1    3   34   23 o   45.222   22.460  -6.3623   10.138 -20.4102   11.990   28.870   18.988   41.263   20.975   67.225   32.864 -25.96211 38.98663 
1 1 1    3   34   24 o   72.147   30.891   19.588   10.290   46.320   19.081   8.6249   12.219   76.308   36.152   56.669   27.392 19.63935 45.35738 
1 1 1    3   34   25 o   52.492   24.754   5.4063   8.7574 -14.3000   18.652   10.979   9.9187   48.237   24.662   58.811   27.275 -10.57373 36.77145 
1 1 1    3   34   26 o   48.801   23.559   2.6259   8.9664  -8.1800   19.716   5.4436   10.068   49.296   25.216   51.853   25.015 -2.557549 35.51865 
1 1 1    3   34   27 o   47.047   23.155   0.8483   9.9323   0.0000   0.0000   0.8483   9.9323  ?   ?    47.047   23.155 0.000000 23.15483 
1 1 1    3   34   28 o   50.092   24.493   6.1841   10.561   0.0000   0.0000   6.1841   10.561  ?   ?    50.092   24.493 0.000000 24.49267 
1 1 1    3   34   29 o   34.443   17.539 -15.8576   8.6649 -34.8800   20.682 -11.8076   9.5428   41.680   21.528   37.613   19.077 4.067146 28.76417 
1 1 1    3   34   30 o   49.893   23.899   9.0076   8.8220   5.3320   19.738   9.9251   9.8619   46.554   23.909   50.011   24.276 -3.457424 34.07284 
1 1 1    3   35    0 o  108.629   32.833   26.317   10.021   27.023   12.489   25.040   16.793   99.590   36.717   86.259   38.144 13.33167 52.94454 
1 1 1    3   35    1 o  102.748   34.401   25.476   10.775   24.630   13.156   27.200   18.779   92.676   36.769   85.970   38.987 6.706886 53.59053 
1 1 1    3   35    2 o   93.127   30.968   18.948   8.7343   9.7614   11.779   30.169   13.018   70.266   31.453  104.200   37.627 -33.93417 49.04207 
1 1 1    3   35    3 o  131.397   27.419   32.185   9.0304   26.587   12.942   37.497   12.606   96.768   37.007  123.525   36.711 -26.75784 52.12665 
1 1 1    3   35    4 o  167.384   24.306   48.668   10.230   43.539   13.906   54.719   15.103  129.769   38.555  147.983   38.892 -18.21350 54.76350 
1 1 1    3   35    5 o  129.263   29.339   32.841   9.5988   33.671   13.414   31.969   13.742  109.118   38.323  104.024   38.483 5.094261 54.31010 
1 1 1    3   35    6 o   74.730   30.819   12.546   9.6537  -9.9931   14.525   30.381   12.921   55.170   27.310  103.622   37.476 -48.45244 46.37066 
1 1 1    3   35    7 o   53.356   25.049  -0.4822   8.7897  -3.9994   12.798   2.6580   12.093   56.458   27.463   61.296   28.962 -4.838333 39.91280 
1 1 1    3   35    8 o   56.710   26.052   2.3340   8.7453   3.0291   12.073   1.5668   12.685   61.350   28.973   60.557   28.912 0.7926178 40.93030 
1 1 1    3   35    9 o   53.437   25.059  -0.0140   8.7554   1.4724   12.588  -1.4071   12.186   60.026   28.697   57.137   27.553 2.888733 39.78314 
1 1 1    3   35   10 o   61.283   27.020   5.9754   8.3659   12.810   11.861  -0.7908   11.802   71.908   31.915   56.830   27.331 15.07776 42.01822 
1 1 1    3   35   11 o   45.252   21.870  -5.0204   7.7814   1.3704   10.655 -12.3238   11.391   57.081   27.035   47.584   23.662 9.496868 35.92768 
1 1 1    3   35   12 o   60.971   27.251   6.1609   8.8066   17.000   12.773  -3.6614   12.159   75.406   33.310   54.169   26.442 21.23697 42.52894 
1 1 1    3   35   13 o   72.626   29.818   12.959   8.9875   7.1704   12.484   19.187   12.950   63.097   29.695   77.156   33.829 -14.05908 45.01340 
1 1 1    3   35   14 o   52.645   24.121   2.3358   7.4296   2.3516   9.7700   2.3141   11.441   55.605   26.199   57.142   27.330 -1.537365 37.85945 
1 1 1    3   35   15 o   47.497   22.838  -2.5412   8.2315  -5.3440   11.338   0.5832   11.970   50.309   24.756   55.416   26.865 -5.107346 36.53152 
1 1 1    3   35   16 o   42.157   20.761  -7.4264   8.0282  -3.4430   11.898 -10.7559   10.878   51.661   25.409   45.621   22.756 6.039364 34.10981 
1 1 1    3   35   17 o   46.196   22.243  -2.1438   7.8716  -8.5007   10.820   5.0041   11.473   46.297   23.029   57.065   27.313 -10.76817 35.72561 
1 1 1    3   35   18 o   53.617   24.720   4.3853   7.9713  -6.0207   11.406   14.321   11.145   47.973   23.826   66.123   30.006 -18.15057 38.31454 
1 1 1    3   35   19 o   59.764   27.284   9.3988   9.3935   4.7780   20.328   10.653   10.592   56.680   28.645   60.712   28.167 -4.031563 40.17348 
1 1 1    3   35   20 o   60.013   29.075   13.203   13.966   13.780   19.791   12.630   19.711   58.545   29.416   58.127   29.227 0.4173813 41.46726 
1 1 1    3   35   21 o   43.490   21.722  -7.3139   10.052  -6.0602   11.892 -10.4500   18.809   46.389   23.237   49.583   25.302 -3.194176 34.35324 
1 1 1    3   35   22 o   54.742   24.767   7.4135   7.5264   9.9454   10.133   4.2974   11.241   56.702   26.706   51.529   25.211 5.172989 36.72572 
1 1 1    3   35   23 o   53.090   25.907   7.6010   11.646   7.6010   11.646   0.0000   0.0000   53.090   25.907  ?   ?  0.000000 25.90699 
1 1 1    3   35   24 f   58.208   26.478   11.794   8.7467   6.4861   11.710   18.492   13.155   51.298   25.226   59.292   28.601 -7.993980 38.13631 
1 1 1    3   35   25 o   41.296   20.572  -4.3799   8.7680   0.0000   0.0000  -4.3799   8.7680  ?   ?    41.296   20.572 0.000000 20.57167 
1 1 1    3   35   26 o   48.900   24.025   6.2896   10.543   0.0000   0.0000   6.2896   10.543  ?   ?    48.900   24.025 0.000000 24.02494 
1 1 1    3   35   27 o   49.009   23.705   7.7423   9.1886  -1.7170   20.710   10.061   10.253   45.845   23.580   50.464   24.555 -4.618999 34.04383 
1 1 1    3   35   28 o   47.255   22.836   7.1921   8.4797 -11.7800   21.037   10.872   9.2657   42.879   22.130   50.238   24.175 -7.359386 32.77486 
1 1 1    3   36    0 o   89.672   33.335   22.095   10.336   32.949   12.469  -1.7360   18.476  104.582   36.928   60.326   30.021 44.25641 47.59149 
1 1 1    3   36    1 o   56.224   25.964   3.1000   8.8477   20.749   13.411 -10.5030   11.774   78.973   34.531   48.791   24.228 30.18198 42.18295 
1 1 1    3   36    2 f   77.110   30.361   14.855   8.9075   28.478   12.957   2.6460   12.266   92.739   36.585   58.915   28.210 33.82440 46.19769 
1 1 1    3   36    3 o  116.829   30.617   30.142   9.3774   37.100   13.618   23.868   12.932  106.646   38.488   84.399   35.309 22.24712 52.23045 
1 1 1    3   36    4 o  135.365   27.699   36.550   9.3851   12.837   14.224   54.831   12.489   68.440   32.045  158.463   31.536 -90.02283 44.96041 
1 1 1    3   36    5 o   64.335   27.515   8.6562   8.1479   3.2035   12.432   12.762   10.788   59.045   28.306   69.844   30.744 -10.79837 41.78992 
1 1 1    3   36    6 f   92.262   31.778   21.740   9.2018   12.697   13.197   30.296   12.837   67.994   31.508   94.957   36.716 -26.96368 48.38215 
1 1 1    3   36    7 o   84.122   31.105   18.481   8.9754   16.243   13.697   20.165   11.882   71.050   32.626   79.035   33.496 -7.985611 46.75940 
1 1 1    3   36    8 o  122.854   28.456   31.730   8.8774   18.943   12.418   45.094   12.696   75.424   33.097  128.189   36.486 -52.76495 49.26149 
1 1 1    3   36    9 o   60.739   26.862   7.4246   8.3301   18.072   12.046  -2.3333   11.532   74.050   32.544   52.525   25.664 21.52531 41.44539 
1 1 1    3   36   10 o  121.965   29.486   32.953   9.2126   34.855   12.869   30.954   13.195   99.731   37.172   90.483   36.506 9.248337 52.10054 
1 1 1    3   36   11 o   59.948   26.601   7.5621   8.2367   5.7246   11.016   9.8922   12.405   58.116   27.515   62.393   29.435 -4.277367 40.29282 
1 1 1    3   36   12 o   84.819   30.195   19.268   8.3528  -0.2926   12.157   36.761   11.496   53.162   26.054  110.291   35.457 -57.12908 43.99996 
1 1 1    3   36   13 o   74.770   29.385   15.776   8.3290   15.573   11.479   16.002   12.104   67.532   30.567   67.261   30.806 0.2707672 43.39806 
1 1 1    3   36   14 o   52.851   24.378   4.3177   7.7671   5.3254   11.051   3.3339   10.919   55.509   26.631   53.693   25.939 1.815216 37.17545 
1 1 1    3   36   15 o   88.915   30.357   22.309   8.3922   18.445   12.207   25.773   11.556   67.370   30.886   79.745   33.371 -12.37490 45.47045 
1 1 1    3   36   16 o   48.506   23.563   0.3775   9.3356   1.1210   18.807   0.1344   10.754   53.583   27.134   49.571   24.336 4.012314 36.44852 
1 1 1    3   36   17 o   48.682   24.170  -1.2225   11.698  -4.1180   18.759   0.6202   14.965   51.028   25.967   51.362   25.776 -0.3335953 36.58811 
1 1 1    3   36   18 o   60.636   27.732   13.114   9.7590   15.663   11.216   5.1730   19.798   61.659   28.733   52.960   26.924 8.699059 39.37606 
1 1 1    3   36   19 o   67.411   28.378   16.102   8.4369   16.976   11.795   15.187   12.073   60.923   28.730   58.870   28.134 2.052761 40.21109 
1 1 1    3   36   20 o   45.293   21.976   0.9262   8.0578 -13.8062   12.623   11.057   10.468   41.913   21.326   55.354   26.382 -13.44128 33.92365 
1 1 1    3   36   21 f   46.827   22.510   3.1133   7.9834   2.2773   12.338   3.7153   10.471   48.001   23.989   48.325   23.782 -0.3239822 33.77912 
1 1 1    3   36   22 f   44.779   21.851   1.4696   8.2833  -5.0149   12.051   7.2772   11.405   43.661   22.064   50.006   24.650 -6.344982 33.08223 
1 1 1    3   36   23 o   44.593   22.064   1.2416   9.4419  -2.6300   15.220   3.6637   12.038   45.299   23.084   46.927   23.488 -1.628540 32.93247 
1 1 1    3   36   24 o   41.278   20.793  -3.9186   10.227   9.9520   12.904 -27.3400   16.768   48.953   24.475   39.595   20.406 9.358437 31.86577 
1 1 1    3   36   25 o   43.926   22.281   1.3721   13.034   25.000   20.172 -15.5600   17.077   49.599   25.381   41.012   21.110 8.586742 33.01297 
1 1 1    3   36   26 o   38.521   19.439  -4.0938   9.1598   10.940   20.727  -7.7425   10.211   45.018   23.177   37.831   19.242 7.187271 30.12336 
1 1 1    3   37    0 o   64.287   28.040   10.915   8.7941   17.796   12.178   3.4179   12.712   69.942   31.587   55.810   27.197 14.13176 41.68238 
1 1 1    3   37    1 o   78.545   29.895   17.250   8.4208   25.276   11.009   5.9303   13.073   85.551   33.731   57.771   28.022 27.77974 43.85202 
1 1 1    3   37    2 o   59.118   26.385   7.7166   8.2242   9.0915   12.501   6.6673   10.920   60.229   28.740   57.866   27.396 2.362663 39.70565 
1 1 1    3   37    3 f   83.957   31.084   20.504   8.9686   25.419   12.738   15.672   12.630   78.781   34.056   66.476   30.812 12.30493 45.92586 
1 1 1    3   37    4 o   51.141   23.777   2.8018   7.6115  -3.7063   9.9832   11.837   11.763   47.691   23.420   62.737   29.299 -15.04633 37.50933 
1 1 1    3   37    5 o   85.786   30.868   21.081   8.7519   14.941   12.425   27.129   12.330   65.222   30.343   81.923   34.387 -16.70103 45.86031 
1 1 1    3   37    6 o   71.293   29.135   14.921   8.5304   6.9960   12.672   21.489   11.536   57.426   27.791   74.806   32.374 -17.37983 42.66597 
1 1 1    3   37    7 o   56.723   25.570   6.9578   7.9379   5.2521   11.145   8.7141   11.309   55.261   26.572   58.514   27.754 -3.252605 38.42336 
1 1 1    3   37    8 f   53.621   24.884   5.0717   8.2753   8.8641   11.349   0.7655   12.093   58.129   27.638   51.868   25.532 6.260735 37.62626 
1 1 1    3   37    9 o   71.485   29.319   16.145   8.6773   19.097   12.479   13.381   12.075   67.110   30.936   61.545   29.037 5.564835 42.42867 
1 1 1    3   37   10 o   56.108   25.737   7.6012   8.4921   8.8292   12.033   6.3827   11.986   56.699   27.351   54.750   26.620 1.948170 38.16658 
1 1 1    3   37   11 o   39.058   19.341  -6.5654   7.3098  -9.7482   9.4916  -1.9258   11.460   41.166   20.641   48.234   23.943 -7.068420 31.61171 
1 1 1    3   37   12 o   77.536   30.398   20.707   8.8938   24.360   15.931   19.054   10.720   63.473   30.821   67.604   30.152 -4.131062 43.11704 
1 1 1    3   37   13 o   56.179   26.283   9.6627   9.5358   19.480   18.090   5.8850   11.221   57.933   28.966   52.231   25.475 5.702072 38.57471 
1 1 1    3   37   14 o   43.495   22.077 -11.5908   12.938 -38.9600   18.977   12.180   17.685   42.104   21.700   54.153   27.287 -12.04855 34.86357 
1 1 1    3   37   15 o   37.904   19.090 -10.4255   8.5996 -11.4977   10.444  -8.1680   15.154   40.249   20.363   45.804   23.312 -5.555538 30.95353 
1 1 1    3   37   16 o   51.565   24.473   7.3523   8.8200   13.589   12.503   1.1750   12.444   55.039   26.855   47.532   23.804 7.506897 35.88578 
1 1 1    3   37   17 o   55.693   25.873   11.610   8.9827   25.913   12.672  -2.8370   12.735   64.154   30.105   45.185   22.816 18.96912 37.77389 
1 1 1    3   37   18 o   69.454   29.022   20.323   8.7223   3.6091   12.285   37.309   12.385   47.377   23.715   77.840   33.616 -30.46264 41.13931 
1 1 1    3   37   19 o   45.291   22.064   3.0743   8.3462   9.2921   10.972  -5.4640   12.858   50.174   24.622   43.055   21.869 7.118793 32.93143 
1 1 1    3   37   20 o   55.268   25.380   12.541   8.2887   8.5671   10.792   18.258   12.944   48.855   24.062   53.737   26.444 -4.881783 35.75304 
1 1 1    3   37   21 o   43.696   21.697   2.2792   9.4371   5.0340   15.395   0.6210   11.944   45.790   23.323   43.659   22.051 2.130936 32.09711 
1 1 1    3   37   22 o   51.451   24.672   13.156   9.4600   23.242   12.652   0.3679   14.246   54.509   26.685   43.234   22.058 11.27510 34.62159 
1 1 1    3   37   23 o   39.694   19.830  -0.4731   8.3961   18.723   12.336 -17.0385   11.460   50.336   24.962   35.733   18.344 14.60299 30.97724 
1 1 1    3   37   24 o   41.126   20.495   3.0108   8.7410  -2.1593   12.365   8.1754   12.358   39.867   20.358   43.591   22.065 -3.723980 30.02194 
1 1 1    3   38    0 o   78.399   30.320   21.187   8.7554   24.401   12.080   17.629   12.708   70.082   31.572   61.409   29.212 8.673008 43.01353 
1 1 1    3   38    1 o   79.478   30.285   21.389   8.6478   28.142   12.333   14.858   12.129   74.214   32.760   59.513   28.374 14.70065 43.33900 
1 1 1    3   38    2 o   42.718   21.006  -3.1036   8.1172   7.6669   10.739 -17.4567   12.397   53.741   25.902   41.249   21.002 12.49228 33.34711 
1 1 1    3   38    3 o   43.577   21.302  -1.7507   7.9749  -4.4626   10.872   1.4079   11.734   45.119   22.544   49.212   24.394 -4.092964 33.21527 
1 1 1    3   38    4 o   54.488   24.957   7.9009   7.9446   21.781   11.986  -2.9752   10.610   66.217   30.449   45.582   22.694 20.63498 37.97560 
1 1 1    3   38    5 o   36.739   18.531 -12.0737   8.2689 -12.3417   11.504 -11.7873   11.894   41.730   21.141   42.414   21.489 -0.6842842 30.14541 
1 1 1    3   38    6 o   70.887   29.411   18.922   8.8678   14.301   12.710   23.307   12.379   57.107   27.683   65.936   30.541 -8.829426 41.22040 
1 1 1    3   38    7 o   51.725   24.779   6.7831   9.4907   10.830   18.246   5.2820   11.112   52.881   26.773   50.498   24.780 2.383720 36.48075 
1 1 1    3   38    8 o   44.564   22.122  -1.8191   9.7867   10.760   17.967  -7.1256   11.670   52.380   26.524   43.448   21.927 8.931309 34.41412 
1 1 1    3   38    9 o   51.090   25.157   7.4361   11.773   9.4760   17.185   5.6320   16.161   51.480   26.054   50.151   25.368 1.329182 36.36454 
1 1 1    3   38   10 o   55.958   27.119   15.271   12.175   23.870   17.488   7.1830   16.960   56.208   28.159   50.146   25.434 6.062218 37.94468 
1 1 1    3   38   11 o   40.221   20.196  -6.4234   9.2471 -10.4714   10.800   4.6920   17.897   40.151   20.357   48.824   24.893 -8.673374 32.15717 
1 1 1    3   38   12 o   36.477   18.436 -10.6182   8.4309  -6.7418   11.954 -14.4546   11.892   42.425   21.500   39.534   20.169 2.890636 29.47918 
1 1 1    3   38   13 o   39.012   19.597  -6.3000   8.7574 -11.4759   12.805  -1.7515   12.004   40.993   20.914   44.122   22.264 -3.129044 30.54644 
1 1 1    3   38   14 o   53.021   25.023   11.395   8.9797   18.438   12.852   4.6785   12.551   54.353   26.668   46.719   23.468 7.633621 35.52348 
1 1 1    3   38   15 f   42.413   20.850   0.9608   7.9760   1.5647   10.722   0.2125   11.935   44.226   22.140   43.993   22.199 0.2333260 31.35253 
1 1 1    3   38   16 o   37.941   19.021  -4.8480   8.0438  -5.4705   10.824  -4.0801   12.021   40.422   20.482   41.768   21.208 -1.345959 29.48375 
1 1 1    3   38   17 o   35.631   18.063  -9.6042   8.4815 -18.4153   11.520   0.8255   12.533   36.227   18.584   43.316   21.958 -7.089542 28.76688 
1 1 1    3   38   18 o   46.441   22.999   8.4655   10.345   18.750   16.547   1.8663   13.255   48.148   24.491   43.172   21.956 4.975853 32.89174 
1 1 1    3   38   19 o   36.261   18.599 -15.0151   11.497  -5.2510   15.562 -26.7500   17.061   40.993   21.060   37.761   19.505 3.232052 28.70509 
1 1 1    3   38   20 o   31.613   16.236 -19.7291   9.1059 -18.0211   10.739 -24.1000   17.179   34.159   17.547   37.552   19.403 -3.392769 26.16043 
1 1 1    3   38   21 o   36.018   18.172  -3.7447   7.9813  -5.0894   10.103  -1.5116   13.018   37.112   18.902   39.548   20.249 -2.435303 27.70074 
1 1 1    3   38   22 o   29.351   15.073 -17.7541   7.8207 -16.6012   10.245 -19.3642   12.107   32.875   16.896   33.887   17.459 -1.011375 24.29592 
1 1 1    3   39    0 o   46.990   23.161   5.0540   10.063  -7.0915   12.502   27.410   16.961   42.017   21.364   55.045   27.599 -13.02792 34.90138 
1 1 1    3   39    1 o   64.987   29.346   23.667   10.509   15.551   13.035   38.740   17.763   52.634   26.021   59.041   29.390 -6.407269 39.25443 
1 1 1    3   39    2 o   49.615   24.085   8.4199   9.7095   5.2287   11.532   16.190   17.995   47.088   23.479   50.305   25.583 -3.217171 34.72401 
1 1 1    3   39    3 o   65.402   28.762   21.211   9.4221   14.643   11.628   33.770   16.078   53.041   25.884   58.945   29.096 -5.903870 38.94295 
1 1 1    3   39    4 f   50.081   24.410   9.6906   10.253  -3.2570   12.469   36.720   18.016   43.148   21.876   57.117   28.610 -13.96953 36.01490 
1 1 1    3   39    5 o   47.012   23.203   5.8874   10.215  -4.5562   12.557   26.320   17.564   42.529   21.603   53.176   26.844 -10.64761 34.45711 
1 1 1    3   39    6 o   43.936   21.535   2.5828   8.3122   7.0996   11.829  -1.8236   11.683   47.343   23.633   42.960   21.711 4.383442 32.09240 
1 1 1    3   39    7 o   45.932   22.301   5.1101   8.3329   0.5962   11.582   9.9546   11.998   43.751   22.050   48.569   24.174 -4.817657 32.71980 
1 1 1    3   39    8 o   49.075   23.569   8.8244   8.7058   8.5968   11.892   9.0872   12.779   47.469   23.696   47.496   23.833 -0.2696609E-01 33.60866 
1 1 1    3   39    9 f   49.490   23.738   9.6730   8.7710   7.0717   12.677   12.061   12.148   46.187   23.251   48.883   24.329 -2.695866 33.65297 
1 1 1    3   39   10 o   42.708   21.161   2.1818   8.7957  -1.6130   12.343   6.0974   12.538   42.187   21.428   45.353   22.868 -3.166782 31.33855 
1 1 1    3   39   11 o   51.185   24.097   11.442   8.2338   16.177   10.677   4.4954   12.933   52.074   25.274   44.281   22.432 7.793610 33.79260 
1 1 1    3   39   12 o   43.479   21.463   4.2325   8.7519   7.9972   12.539   0.6565   12.221   45.306   22.847   42.279   21.459 3.026947 31.34454 
1 1 1    3   39   13 o   50.198   24.026   12.531   8.8764   16.026   13.206   9.6494   11.988   48.074   24.138   45.680   22.945 2.393433 33.30283 
1 1 1    3   39   14 o   49.157   24.013   14.045   10.080   44.020   18.372   1.1345   12.057   52.601   26.657   41.509   21.093 11.09174 33.99260 
1 1 1    3   39   15 o   41.419   20.965   2.7046   11.151   4.0680   16.098   1.4470   15.462   42.176   21.657   41.534   21.321 0.6422806 30.39106 
1 1 1    3   39   16 o   41.700   20.745   4.7072   8.7921  -0.2392   10.607   15.570   15.718   39.450   20.020   44.331   22.663 -4.881248 30.23936 
1 1 1    3   39   17 o   37.536   19.006  -1.8117   9.2125  -7.6000   11.399   9.0910   15.644   36.672   18.790   41.841   21.477 -5.169060 28.53642 
1 1 1    3   39   18 o   37.493   18.921  -0.0559   8.6874   11.052   12.068 -12.0020   12.516   42.371   21.486   35.584   18.304 6.786716 28.22581 
1 1 1    3   39   19 o   40.281   20.175   6.3968   8.9504   8.7095   12.410   3.8897   12.921   40.391   20.606   38.893   19.933 1.497105 28.66917 
1 1 1    3   39   20 o   49.025   23.696   20.290   9.1441   18.103   13.221   22.295   12.661   41.909   21.370   43.886   22.228 -1.977352 30.83432 
1 1 1    3   40    0 o   35.394   17.927  -7.0208   8.2405   0.0458   11.114 -15.6501   12.281   40.677   20.627   36.374   18.689 4.303047 27.83401 
1 1 1    3   40    1 o   31.654   16.171 -14.2779   7.8769 -16.6917   10.593 -11.2922   11.781   34.528   17.720   37.153   19.041 -2.625389 26.01022 
1 1 1    3   40    2 f   41.884   20.704   3.6594   8.2410  -4.5502   12.349   10.251   11.066   39.469   20.170   45.506   22.738 -6.037491 30.39486 
1 1 1    3   40    3 o   50.978   24.272   14.267   8.8131   6.6844   12.993   20.730   11.994   43.294   21.990   50.715   25.052 -7.420910 33.33357 
1 1 1    3   40    4 o   41.581   20.710   3.3598   8.8715  -5.0712   12.438   12.090   12.657   39.186   20.043   45.404   22.904 -6.218227 30.43574 
1 1 1    3   40    5 o   34.225   17.415  -9.5693   8.4289  -4.4257   11.872 -14.7972   11.969   38.993   19.915   36.068   18.527 2.925232 27.20045 
1 1 1    3   40    6 o   48.057   23.515   13.529   9.7874 -10.7400   15.776   28.716   12.480   38.897   20.035   54.278   26.557 -15.38128 33.26690 
1 1 1    3   40    7 o   45.649   22.678   11.365   10.363   22.560   18.158   5.9581   12.620   45.410   23.297   42.317   21.511 3.092796 31.70961 
1 1 1    3   40    8 o   43.441   21.711   8.0138   10.115   21.210   17.851   1.7727   12.276   44.877   23.029   40.567   20.677 4.310272 30.94977 
1 1 1    3   40    9 o   35.589   18.131  -7.2024   9.3373 -21.5800   17.326  -1.3177   11.085   37.101   19.183   38.901   19.812 -1.799664 27.57724 
1 1 1    3   40   10 o   34.425   17.625 -11.1143   9.8455 -33.8300   15.903   3.0020   12.537   34.485   17.863   40.342   20.593 -5.857506 27.26062 
1 1 1    3   40   11 o   39.784   20.138   3.0818   10.290  -5.4140   13.986   13.110   15.195   38.021   19.547   42.468   21.755 -4.446968 29.24604 
1 1 1    3   40   12 o   36.399   18.499  -2.9796   9.2961  -2.5848   11.511  -3.7200   15.763   37.549   19.212   38.347   19.764 -0.7978516 27.56295 
1 1 1    3   40   13 o   39.494   19.985   4.6401   10.087   24.587   12.856 -27.3000   16.269   46.596   23.452   34.546   17.900 12.05042 29.50241 
1 1 1    3   40   14 o   35.893   18.206  -1.3964   8.7008   8.0704   12.748  -9.6522   11.905   39.796   20.350   34.913   17.953 4.883068 27.13759 
1 1 1    3   40   15 o   37.606   18.998   3.2233   8.8952   14.546   12.900  -7.0421   12.282   40.971   20.911   35.173   18.094 5.797562 27.65298 
1 1 1    3   40   16 o   30.575   15.679 -11.2713   8.1261 -22.2614   11.524  -0.4040   11.460   31.116   16.072   35.957   18.452 -4.840395 24.46957 
1 1 1    3   40   17 f   40.146   19.951   9.6560   8.0471   19.479   11.405  -0.0819   11.355   41.862   21.191   35.304   18.131 6.557709 27.88908 
1 1 1    3   41    0 o   37.137   18.911   0.2127   10.074  -3.5620   12.052   8.9660   18.353   36.530   18.757   39.413   20.354 -2.882828 27.67863 
1 1 1    3   41    1 o   38.185   19.387   2.8648   10.033  -5.0566   11.964   21.640   18.419   36.103   18.544   41.349   21.314 -5.245670 28.25214 
1 1 1    3   41    2 f   42.295   21.186   11.337   9.8818   9.0876   11.654   17.090   18.640   40.384   20.542   40.509   20.904 -0.1254730 29.30825 
1 1 1    3   41    3 o   40.474   20.436   8.3941   10.213  -0.5782   12.315   28.160   18.279   37.245   19.114   42.331   21.792 -5.086292 28.98669 
1 1 1    3   41    4 o   34.374   17.582  -6.1029   9.5776   3.9184   11.934 -24.2400   16.054   38.361   19.622   34.227   17.736 4.134064 26.45018 
1 1 1    3   41    5 o   36.212   18.294   0.3532   8.2420   0.8045   11.720  -0.0884   11.593   37.244   19.081   36.961   18.939 0.2822304 26.88402 
1 1 1    3   41    6 o   36.109   18.299   0.1920   8.6642   11.448   12.521 -10.1486   12.001   40.186   20.518   34.374   17.694 5.812714 27.09371 
1 1 1    3   41    7 o   38.545   19.401   5.4382   8.8061   10.534   12.220  -0.0661   12.701   39.691   20.266   36.711   18.869 2.979515 27.68980 
1 1 1    3   41    8 f   36.920   18.702   2.8518   8.9830   16.439   12.829 -10.2199   12.583   40.919   20.882   34.184   17.621 6.734566 27.32301 
1 1 1    3   41    9 o   33.495   17.088  -4.0076   8.5369 -13.5879   11.842   6.3575   12.318   32.872   16.951   37.682   19.322 -4.809647 25.70377 
1 1 1    3   41   10 o   37.058   18.732   4.6587   8.7221  -7.9619   11.574   21.247   13.269   33.625   17.312   41.079   20.986 -7.453426 27.20498 
1 1 1    3   41   11 o   40.468   20.244   11.966   8.8875   11.668   11.654   12.379   13.740   38.450   19.645   37.931   19.493 0.5189934 27.67454 
1 1 1    3   41   12 o   34.733   17.711   1.5112   9.0770  -7.5043   12.531   11.463   13.166   33.271   17.168   37.268   19.154 -3.996765 25.72182 
1 1 1    3   41   13 o   34.558   17.631   2.4221   9.0992   7.0838   13.077  -1.9533   12.669   35.681   18.371   33.855   17.461 1.825554 25.34576 
1 1 1    3   41   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   42    0 o   27.901   14.368 -15.3988   8.0621 -10.2875   12.226 -19.3312   10.724   31.886   16.472   29.480   15.236 2.406523 22.43774 
1 1 1    3   42    1 o   36.502   18.489   7.8137   8.7669   4.6247   12.610   10.797   12.197   34.781   17.914   36.255   18.628 -1.474854 25.84394 
1 1 1    3   42    2 o   36.045   18.295   7.0754   8.8869   15.596   12.305  -2.2138   12.848   37.387   19.181   33.411   17.246 3.975842 25.79384 
1 1 1    3   42    3 o   39.592   19.812   13.523   8.5424   19.570   11.446   5.9207   12.834   39.077   19.922   34.868   17.965 4.209114 26.82604 
1 1 1    3   42    4 o   34.078   17.328   2.9794   8.2339  -5.2776   11.406   11.965   11.898   32.287   16.649   36.294   18.636 -4.007507 24.98931 
1 1 1    3   42    5 o   34.939   17.756   5.4351   8.5597   8.0364   12.122   2.8481   12.089   35.051   18.029   33.908   17.469 1.142570 25.10358 
1 1 1    3   42    6 o   28.980   14.922 -11.8068   8.6433  -6.7777   12.271 -16.7595   12.177   31.885   16.472   30.241   15.664 1.643490 22.73073 
1 1 1    3   42    7 o   41.317   20.673   20.734   9.2890   23.692   13.344   17.953   12.938   37.505   19.276   36.429   18.732 1.076420 26.87816 
1 1 1    3   42    8 o   37.761   19.085   14.369   9.0362   3.4171   12.983   24.660   12.585   33.165   17.127   37.860   19.422 -4.694160 25.89495 
1 1 1    3   42    9 o   34.548   17.697   9.2559   10.037   14.959   13.131   1.2430   15.565   34.835   17.958   32.504   16.860 2.330261 24.63239 
1 1 1    4    0    0 o  564.202   17.089  413.800   24.923  413.800   24.923  413.800   24.923  564.202   17.089  564.202   17.089 0.000000 0.000000 
1 1 1    4    0    1 o  615.121   12.423  490.897   19.775  490.897   19.775  490.897   19.775  615.121   12.423  615.121   12.423 0.000000 0.000000 
1 1 1    4    0    2 o  1773.22   24.807  4082.99  113.892  4082.99  113.892  4082.99  113.892  1773.22   24.807  1773.22   24.807 0.000000 0.000000 
1 1 1    4    0    3 o  534.980   11.820  371.391   16.361  371.391   16.361  371.391   16.361  534.980   11.820  534.980   11.820 0.000000 0.000000 
1 1 1    4    0    4 o  1036.40   16.402  1393.47   44.008  1393.47   44.008  1393.47   44.008  1036.40   16.402  1036.40   16.402 0.000000 0.000000 
1 1 1    4    0    5 o  812.623   14.207  856.643   29.885  856.643   29.885  856.643   29.885  812.623   14.207  812.623   14.207 0.000000 0.000000 
1 1 1    4    0    6 o  112.200   11.842   16.851   3.3539   16.851   3.3539   16.851   3.3539  112.200   11.842  112.200   11.842 0.000000 0.000000 
1 1 1    4    0    7 o  162.038   11.089   34.497   4.6042   34.497   4.6042   34.497   4.6042  162.038   11.089  162.038   11.089 0.000000 0.000000 
1 1 1    4    0    8 o  184.442   11.317   44.578   5.3603   44.578   5.3603   44.578   5.3603  184.442   11.317  184.442   11.317 0.000000 0.000000 
1 1 1    4    0    9 o  312.990   11.134  127.427   9.0007  127.427   9.0007  127.427   9.0007  312.990   11.134  312.990   11.134 0.000000 0.000000 
1 1 1    4    0   10 o  461.616   11.774  276.712   14.058  276.712   14.058  276.712   14.058  461.616   11.774  461.616   11.774 0.000000 0.000000 
1 1 1    4    0   11 o  161.373   19.234   35.210   7.7383   35.210   7.7383   35.210   7.7383  161.373   19.234  161.373   19.234 0.000000 0.000000 
1 1 1    4    0   12 o  519.761   12.303  350.872   16.544  350.872   16.544  350.872   16.544  519.761   12.303  519.761   12.303 0.000000 0.000000 
1 1 1    4    0   13 o  598.679   12.865  465.642   19.930  465.642   19.930  465.642   19.930  598.679   12.865  598.679   12.865 0.000000 0.000000 
1 1 1    4    0   14 f  446.469   12.068  259.254   13.933  259.254   13.933  259.254   13.933  446.469   12.068  446.469   12.068 0.000000 0.000000 
1 1 1    4    0   15 o  340.460   12.045  151.019   10.592  151.019   10.592  151.019   10.592  340.460   12.045  340.460   12.045 0.000000 0.000000 
1 1 1    4    0   16 o  250.839   12.663   82.287   8.1801   82.287   8.1801   82.287   8.1801  250.839   12.663  250.839   12.663 0.000000 0.000000 
1 1 1    4    0   17 o   35.857   22.942   0.2618   4.7825   0.2618   4.7825   0.2618   4.7825   35.857   22.942   35.857   22.942 0.000000 0.000000 
1 1 1    4    0   18 o   99.915   27.171   15.534   6.0789   15.534   6.0789   15.534   6.0789   99.915   27.171   99.915   27.171 0.000000 0.000000 
1 1 1    4    0   19 o  918.600   15.872  1095.50   37.741  1095.50   37.741  1095.50   37.741  918.600   15.872  918.600   15.872 0.000000 0.000000 
1 1 1    4    0   20 o  336.424   13.333  147.415   11.577  147.415   11.577  147.415   11.577  336.424   13.333  336.424   13.333 0.000000 0.000000 
1 1 1    4    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   22 o  293.237   15.779  112.484   11.906  112.484   11.906  112.484   11.906  293.237   15.779  293.237   15.779 0.000000 0.000000 
1 1 1    4    0   23 o  397.205   14.161  205.368   14.528  205.368   14.528  205.368   14.528  397.205   14.161  397.205   14.161 0.000000 0.000000 
1 1 1    4    0   24 o  1566.44   22.862  3191.67   92.718  3191.67   92.718  3191.67   92.718  1566.44   22.862  1566.44   22.862 0.000000 0.000000 
1 1 1    4    0   25 o  417.894   20.212  228.500   21.762  228.500   21.762  228.500   21.762  417.894   20.212  417.894   20.212 0.000000 0.000000 
1 1 1    4    0   26 o  732.329   15.169  696.979   28.746  696.979   28.746  696.979   28.746  732.329   15.169  732.329   15.169 0.000000 0.000000 
1 1 1    4    0   27 o  800.655   15.460  833.348   32.037  833.348   32.037  833.348   32.037  800.655   15.460  800.655   15.460 0.000000 0.000000 
1 1 1    4    0   28 o  333.813   15.573  145.709   13.399  145.709   13.399  145.709   13.399  333.813   15.573  333.813   15.573 0.000000 0.000000 
1 1 1    4    0   29 o   60.965   34.952   6.3045   8.7603   6.3045   8.7603   6.3045   8.7603   60.965   34.952   60.965   34.952 0.000000 0.000000 
1 1 1    4    0   30 o  580.456   14.132  438.838   21.219  438.838   21.219  438.838   21.219  580.456   14.132  580.456   14.132 0.000000 0.000000 
1 1 1    4    0   31 o  350.958   24.083  164.000   21.657  164.000   21.657  164.000   21.657  350.958   24.083  350.958   24.083 0.000000 0.000000 
1 1 1    4    0   32 o   40.699   27.768  -5.0937   9.0898  -5.0937   9.0898  -5.0937   9.0898   40.699   27.768   40.699   27.768 0.000000 0.000000 
1 1 1    4    0   33 f   86.917   37.987   14.609   8.9014   14.609   8.9014   14.609   8.9014   86.917   37.987   86.917   37.987 0.000000 0.000000 
1 1 1    4    0   34 o   42.080   28.363  -3.3929   8.9212  -3.3929   8.9212  -3.3929   8.9212   42.080   28.363   42.080   28.363 0.000000 0.000000 
1 1 1    4    0   35 o   42.649   28.322  -1.7078   8.3240  -1.7078   8.3240  -1.7078   8.3240   42.649   28.322   42.649   28.322 0.000000 0.000000 
1 1 1    4    0   36 o  149.368   24.558   32.052   8.7298   32.052   8.7298   32.052   8.7298  149.368   24.558  149.368   24.558 0.000000 0.000000 
1 1 1    4    0   37 o  136.034   33.675   29.450   10.271   29.450   10.271   29.450   10.271  136.034   33.675  136.034   33.675 0.000000 0.000000 
1 1 1    4    0   38 o  365.805   16.339  178.410   15.412  178.410   15.412  178.410   15.412  365.805   16.339  365.805   16.339 0.000000 0.000000 
1 1 1    4    0   39 o  108.344   37.408   21.607   9.4575   21.607   9.4575   21.607   9.4575  108.344   37.408  108.344   37.408 0.000000 0.000000 
1 1 1    4    0   40 o   61.413   39.825   4.3200   15.053   4.3200   15.053   4.3200   15.053   61.413   39.825   61.413   39.825 0.000000 0.000000 
1 1 1    4    0   41 o  244.792   19.232   82.869   12.021   82.869   12.021   82.869   12.021  244.792   19.232  244.792   19.232 0.000000 0.000000 
1 1 1    4    0   42 o   39.018   27.157  -6.2043   9.8002  -6.2043   9.8002  -6.2043   9.8002   39.018   27.157   39.018   27.157 0.000000 0.000000 
1 1 1    4    0   43 f  269.987   20.040  102.722   13.837  102.722   13.837  102.722   13.837  269.987   20.040  269.987   20.040 0.000000 0.000000 
1 1 1    4    0   44 o  124.108   41.925   31.808   12.057   31.808   12.057   31.808   12.057  124.108   41.925  124.108   41.925 0.000000 0.000000 
1 1 1    4    0   45 o   41.531   28.687  -3.0549   10.410  -3.0549   10.410  -3.0549   10.410   41.531   28.687   41.531   28.687 0.000000 0.000000 
1 1 1    4    0   46 o   51.074   32.998   5.4547   10.206   5.4547   10.206   5.4547   10.206   51.074   32.998   51.074   32.998 0.000000 0.000000 
1 1 1    4    0   47 o   62.184   38.405   12.923   12.167   12.923   12.167   12.923   12.167   62.184   38.405   62.184   38.405 0.000000 0.000000 
1 1 1    4    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   49 o   87.507   43.404   26.523   11.875   26.523   11.875   26.523   11.875   87.507   43.404   87.507   43.404 0.000000 0.000000 
1 1 1    4    1    0 o  379.833   8.8052  186.949   8.6633  186.974   10.641  186.900   14.920  379.810   10.816  379.598   15.174 0.2127686 18.63379 
1 1 1    4    1    1 o  625.958   17.756  508.500   28.790  508.500   28.790   0.0000   0.0000  625.958   17.756  ?   ?  0.000000 17.75595 
1 1 1    4    1    2 o  342.611   10.744  152.141   9.5349  157.800   13.555  146.600   13.414  348.801   15.003  336.181   15.404 12.61929 21.50336 
1 1 1    4    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1    4 o  924.109   10.795  1106.88   25.839  1118.00   51.932  1103.22   29.788  927.664   21.612  922.462   12.467 5.201538 24.94988 
1 1 1    4    1    5 o  245.919   7.3453   78.354   4.6790   73.683   6.5734   83.152   6.6617  238.428   10.643  253.294   10.153 -14.86545 14.70969 
1 1 1    4    1    6 o  474.685   8.1409  291.966   10.010  289.781   14.121  294.173   14.191  472.796   11.531  476.367   11.501 -3.570984 16.28567 
1 1 1    4    1    7 o  676.287   9.2397  592.726   16.186  591.296   22.858  594.163   22.923  675.261   13.068  676.896   13.074 -1.634827 18.48516 
1 1 1    4    1    8 o  600.093   8.8594  466.683   13.771  461.645   19.370  471.832   19.582  596.662   12.533  603.209   12.533 -6.547180 17.72416 
1 1 1    4    1    9 o  756.334   9.8002  741.482   19.200  741.313   27.152  741.651   27.154  755.940   13.866  756.113   13.864 -0.1723633 19.60836 
1 1 1    4    1   10 o  722.660   9.6318  676.972   18.030  685.195   25.678  668.976   25.322  726.714   13.641  718.064   13.614 8.649902 19.27218 
1 1 1    4    1   11 o  285.612   16.188  106.300   11.927   0.0000   0.0000  106.300   11.927  ?   ?   285.612   16.188 0.000000 16.18821 
1 1 1    4    1   12 o  306.877   9.5030  122.125   7.5540  121.694   9.2282  123.000   13.151  306.238   11.633  307.129   16.592 -0.8913269 20.26434 
1 1 1    4    1   13 o  708.534   9.6764  651.375   17.759  676.643   25.659  628.141   24.605  721.482   13.730  695.156   13.664 26.32666 19.37069 
1 1 1    4    1   14 o  817.600   10.363  868.129   21.947  874.416   31.193  861.965   30.884  819.430   14.696  813.588   14.655 5.842590 20.75397 
1 1 1    4    1   15 f  205.499   9.2125   54.821   4.9039   58.428   7.0140   51.372   6.8588  211.535   12.862  198.222   13.437 13.31259 18.60082 
1 1 1    4    1   16 o  157.942   10.572   32.538   4.3004   38.869   6.0544   26.091   6.1094  172.323   13.676  140.424   17.153 31.89819 21.93723 
1 1 1    4    1   17 o  356.158   8.7820  164.510   8.1019  173.958   11.590  155.481   11.331  366.009   12.224  345.995   12.642 20.01462 17.58594 
1 1 1    4    1   18 o  411.165   8.9776  219.180   9.5615  216.669   13.470  221.730   13.574  408.591   12.727  413.339   12.678 -4.747528 17.96452 
1 1 1    4    1   19 o  436.524   9.0522  246.999   10.236  241.095   14.342  253.128   14.613  431.096   12.843  441.726   12.771 -10.63071 18.11222 
1 1 1    4    1   20 o  1474.34   15.293  2821.18   58.404  2831.47   82.866  2811.03   82.328  1475.46   21.682  1470.14   21.619 5.315918 30.61843 
1 1 1    4    1   21 o  734.134   20.540  700.600   39.059   0.0000   0.0000  700.600   39.059  ?   ?   734.134   20.540 0.000000 20.53953 
1 1 1    4    1   22 o  1317.31   14.200  2251.59   48.455  2250.64   68.501  2252.53   68.551  1315.83   20.098  1316.38   20.104 -0.5522461 28.42694 
1 1 1    4    1   23 o  453.792   9.8839  266.966   11.618  275.592   16.628  258.739   16.239  460.845   13.930  446.525   14.040 14.31970 19.77806 
1 1 1    4    1   24 o  836.962   12.681  908.881   27.492  916.553   33.883  894.100   47.032  840.106   15.570  828.661   21.911 11.44489 26.87981 
1 1 1    4    1   25 o  1101.53   17.922  1577.80   51.135  1525.00   70.337  1637.00   74.472  1080.85   25.123  1119.64   25.678 -38.79102 35.92401 
1 1 1    4    1   26 f  582.104   11.685  439.707   17.619  445.600   31.031  436.903   21.404  584.817   20.485  579.971   14.247 4.845947 24.95221 
1 1 1    4    1   27 o  624.646   10.313  506.224   16.686  498.793   23.574  513.686   23.622  619.492   14.691  628.700   14.505 -9.207947 20.64491 
1 1 1    4    1   28 o  248.076   12.712   80.158   8.1410   83.922   11.544   76.434   11.483  253.191   17.713  241.453   18.500 11.73804 25.61286 
1 1 1    4    1   29 o  206.994   14.122   55.998   7.5266   64.110   10.724   48.122   10.566  220.805   18.933  190.540   21.801 30.26540 28.87436 
1 1 1    4    1   30 o  273.209   12.413   97.081   8.7848   87.080   12.299  107.500   12.552  257.437   18.568  286.479   16.991 -29.04193 25.16886 
1 1 1    4    1   31 f  403.755   20.865  214.800   21.747   0.0000   0.0000  214.800   21.747  ?   ?   403.755   20.865 0.000000 20.86540 
1 1 1    4    1   32 o  374.503   15.434  183.460   14.972  183.460   14.972   0.0000   0.0000  374.503   15.434  ?   ?  0.000000 15.43361 
1 1 1    4    1   33 o  361.413   11.006  170.201   10.304  170.854   14.812  169.589   14.343  360.937   15.843  359.724   15.393 1.212555 22.08928 
1 1 1    4    1   34 o   85.964   26.776   9.9722   6.6023   12.006   9.5620   8.1195   9.1273   95.765   32.405   84.817   31.366 10.94840 45.09886 
1 1 1    4    1   35 o  162.371   16.935   35.145   7.0178   29.978   10.020   40.121   9.8326  146.483   27.414  171.797   22.647 -25.31340 35.55897 
1 1 1    4    1   36 o  253.965   11.548   84.379   7.5969   81.968   10.530   86.997   10.971  248.524   16.450  255.996   16.636 -7.471390 23.39525 
1 1 1    4    1   37 o  418.298   10.721  228.910   11.616  229.850   16.289  227.937   16.570  417.119   15.076  415.199   15.407 1.919647 21.55592 
1 1 1    4    1   38 o  243.824   13.492   78.665   8.4880   85.416   12.235   72.402   11.785  251.584   18.913  231.029   19.887 20.55501 27.44457 
1 1 1    4    1   39 o  110.511   24.815   17.546   6.9297   21.082   10.139   14.446   9.4933  118.372   32.208   99.524   32.244 18.84809 45.57458 
1 1 1    4    1   40 o   80.093   31.907   6.6497   9.9447   1.3440   13.206   13.600   15.114   78.375   34.268  101.343   39.656 -22.96799 52.41121 
1 1 1    4    1   41 o  107.821   26.234   17.154   7.2572   24.292   10.530   10.697   10.016  125.430   32.236   88.777   32.852 36.65297 46.02581 
1 1 1    4    1   42 o   91.882   28.538   12.627   7.5061   2.8531   10.499   22.846   10.735   72.959   31.220  120.063   33.335 -47.10408 45.67174 
1 1 1    4    1   43 o  198.219   16.613   53.789   8.4511   61.104   12.027   46.654   11.878  206.588   22.858  177.309   26.689 29.27873 35.13943 
1 1 1    4    1   44 o   74.805   27.825   7.5901   7.2035  -4.4611   10.398   18.714   9.9893   60.631   28.051  106.585   32.892 -45.95352 43.22884 
1 1 1    4    1   45 o   67.329   27.912   4.2740   7.9777  -8.8952   11.430   16.785   11.140   58.127   27.666   99.113   34.915 -40.98540 44.54741 
1 1 1    4    1   46 o  123.512   27.776   24.390   8.6709   23.864   12.293   24.911   12.232  113.504   36.683  116.231   36.485 -2.727585 51.73833 
1 1 1    4    1   47 o  135.743   24.220   28.360   8.2037   24.332   11.669   32.297   11.536  114.124   35.604  135.783   33.099 -21.65865 48.61274 
1 1 1    4    1   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   49 o   64.781   27.996   4.0303   8.6029  -5.3692   11.974   14.058   12.368   59.624   28.361   85.919   35.093 -26.29487 45.12059 
1 1 1    4    2    0 o  902.111   12.328  1055.04   28.806  1016.00   48.600  1076.18   35.766  884.408   21.215  910.875   15.159 -26.46741 26.07391 
1 1 1    4    2    1 o  1154.00   14.457  1727.12   43.214  1653.00   71.945  1768.95   54.051  1127.51   24.634  1167.47   17.873 -39.96240 30.43489 
1 1 1    4    2    2 o  1822.96   20.776  4316.17   98.105  4172.88  115.689  4683.00  185.105  1791.33   24.933  1892.71   37.756 -101.3823 45.24524 
1 1 1    4    2    3 o  980.072   11.210  1245.08   28.458  1242.46   40.168  1247.71   40.324  978.638   15.845  980.699   15.874 -2.061157 22.42883 
1 1 1    4    2    4 o  850.371   10.323  937.232   22.739  930.219   31.997  944.388   32.322  846.883   14.586  853.305   14.623 -6.422180 20.65410 
1 1 1    4    2    5 o  591.428   8.7559  453.265   13.414  436.200   26.209  459.322   15.614  579.736   17.453  595.314   10.125 -15.57813 20.17733 
1 1 1    4    2    6 o  501.566   8.2967  325.978   10.779  326.900   15.268  325.061   15.220  502.153   11.738  500.738   11.734 1.414276 16.59740 
1 1 1    4    2    7 o  266.827   7.7115   92.251   5.3299   86.982   7.5188   97.573   7.5565  259.031   11.206  274.361   10.633 -15.32953 15.44763 
1 1 1    4    2    8 o  320.376   7.8579  133.000   6.5211  130.793   9.2680  135.164   9.1770  317.624   11.265  322.896   10.972 -5.271729 15.72517 
1 1 1    4    2    9 o  437.345   8.2140  247.870   9.3052  244.301   13.129  251.472   13.190  434.055   11.677  440.384   11.563 -6.328949 16.43354 
1 1 1    4    2   10 o  434.724   11.726  245.095   13.205  245.095   13.205   0.0000   0.0000  434.724   11.726  ?   ?  0.000000 11.72639 
1 1 1    4    2   11 o  234.575   11.813   71.562   7.1550   0.0000   0.0000   71.562   7.1550  ?   ?   234.575   11.813 0.000000 11.81338 
1 1 1    4    2   12 o  105.787   14.101   14.792   3.7678   13.073   4.6719   17.990   6.3727   98.562   18.988  115.543   22.098 -16.98078 29.13529 
1 1 1    4    2   13 o  878.897   10.739  1002.82   24.449  975.267   33.928  1032.58   35.264  865.735   15.130  890.767   15.283 -25.03198 21.50541 
1 1 1    4    2   14 o  404.032   8.5066  211.822   8.9027  220.521   12.786  203.636   12.403  411.863   11.985  395.768   12.099 16.09567 17.02996 
1 1 1    4    2   15 o  359.849   8.5189  168.043   7.9406  174.587   11.411  161.900   11.056  366.431   12.022  352.857   12.097 13.57373 17.05490 
1 1 1    4    2   16 f  418.690   8.6945  227.439   9.4294  225.469   13.360  229.395   13.311  416.498   12.384  420.127   12.231 -3.628998 17.40549 
1 1 1    4    2   17 o  575.354   9.2574  429.363   13.797  437.895   19.713  421.171   19.316  580.617   13.107  569.423   13.096 11.19403 18.52826 
1 1 1    4    2   18 f  494.885   9.1092  317.525   11.677  316.548   16.484  318.509   16.544  493.868   12.885  495.396   12.893 -1.527100 18.22781 
1 1 1    4    2   19 o  418.193   12.895  226.876   13.969  226.876   13.969   0.0000   0.0000  418.193   12.895  ?   ?  0.000000 12.89523 
1 1 1    4    2   20 o  513.024   9.3289  341.142   12.397  340.574   17.694  341.690   17.375  512.388   13.331  513.244   13.069 -0.8549805 18.66874 
1 1 1    4    2   21 o  1136.66   25.668  1683.00   75.575   0.0000   0.0000  1683.00   75.575  ?   ?   1136.66   25.668 0.000000 25.66838 
1 1 1    4    2   22 o  947.110   11.691  1163.22   28.680  1161.32   40.523  1165.13   40.598  945.744   16.541  947.293   16.545 -1.549255 23.39577 
1 1 1    4    2   23 o  766.807   12.281  762.696   24.393  767.370   30.069  753.700   41.719  768.854   15.098  761.135   21.160 7.719116 25.99443 
1 1 1    4    2   24 o  488.328   11.320  309.292   14.318  302.725   17.435  322.900   25.096  482.936   13.937  498.255   19.445 -15.31891 23.92371 
1 1 1    4    2   25 o  829.734   10.988  893.023   23.617  887.714   33.145  898.498   33.659  826.642   15.479  831.624   15.625 -4.981750 21.99454 
1 1 1    4    2   26 o  521.454   11.515  352.844   15.554  360.900   27.851  349.192   18.751  526.296   20.429  518.516   13.961 7.779480 24.74405 
1 1 1    4    2   27 o  656.787   12.147  560.054   20.666  561.200   36.373  559.507   25.113  655.776   21.413  656.083   14.777 -0.3065186 26.01688 
1 1 1    4    2   28 f  281.299   12.049  102.771   8.7792  112.174   12.848   94.534   12.024  292.997   17.002  268.839   17.360 24.15854 24.29856 
1 1 1    4    2   29 o  529.919   10.250  364.572   14.070  357.091   19.993  371.913   19.805  523.783   14.736  534.620   14.302 -10.83667 20.53484 
1 1 1    4    2   30 o  270.021   14.177   95.217   9.8815   92.657   12.266   99.950   16.678  265.697   17.927  274.695   23.671 -8.997803 29.69334 
1 1 1    4    2   31 o  408.286   21.951  220.100   23.130   0.0000   0.0000  220.100   23.130  ?   ?   408.286   21.951 0.000000 21.95144 
1 1 1    4    2   32 o   91.178   25.545   11.385   6.2745   2.8839   9.6022   17.721   8.2889   74.872   30.790  112.899   28.376 -38.02705 41.87163 
1 1 1    4    2   33 o  144.760   19.479   28.130   7.1185   28.046   10.228   28.208   9.9141  141.865   28.815  142.573   27.844 -0.7075195 40.06998 
1 1 1    4    2   34 o  296.755   11.850  114.996   9.1087  104.314   13.024  125.222   12.744  280.593   18.015  308.233   16.016 -27.63998 24.10495 
1 1 1    4    2   35 o  145.737   18.505   28.552   6.8281   28.402   9.7222   28.698   9.5920  142.486   27.336  143.428   26.804 -0.9426270 38.28439 
1 1 1    4    2   36 o  127.293   20.228   22.122   6.4465   10.437   8.7746   35.825   9.5021   89.553   31.021  161.507   23.394 -71.95335 38.85338 
1 1 1    4    2   37 o  183.848   15.042   44.936   7.1005   45.032   9.3827   44.808   10.862  182.184   20.224  180.170   23.862 2.014267 31.27898 
1 1 1    4    2   38 o  288.763   11.885  109.585   8.8899  108.007   12.814  111.049   12.344  283.788   17.518  288.270   16.601 -4.482361 24.13410 
1 1 1    4    2   39 o  160.007   19.526   35.103   7.9249   33.646   10.370   37.150   12.287  152.827   27.192  158.480   31.042 -5.652985 41.26766 
1 1 1    4    2   40 o   41.447   20.834 -27.9126   9.9800 -28.3600   15.419 -27.5900   13.092   57.680   28.476   51.544   25.587 6.136333 38.28260 
1 1 1    4    2   41 o  166.684   17.537   37.972   7.4583   39.242   10.650   36.749   10.448  164.747   25.805  159.040   26.279 5.707611 36.83014 
1 1 1    4    2   42 o  256.604   13.946   88.246   9.2346   91.648   13.588   85.326   12.589  256.516   20.624  248.189   19.745 8.327179 28.55192 
1 1 1    4    2   43 o  163.572   19.635   37.542   8.1533   44.767   12.082   31.500   11.048  172.468   28.005  141.930   30.926 30.53777 41.72145 
1 1 1    4    2   44 o   81.843   29.104   9.8821   7.7584   11.174   10.942   8.5762   11.003   87.619   33.892   82.371   33.300 5.247864 47.51396 
1 1 1    4    2   45 o  187.158   17.093   48.864   8.1951   42.727   10.808   57.166   12.571  167.779   25.686  194.471   25.575 -26.69128 36.24659 
1 1 1    4    2   46 o   79.888   28.767   9.8463   7.6023   12.320   11.700   8.0385   10.001   87.736   34.716   77.745   31.633 9.990028 46.96693 
1 1 1    4    2   47 o   71.475   29.167   6.4160   8.5340   5.1923   12.086   7.6326   12.052   74.707   32.721   78.400   33.496 -3.693008 46.82547 
1 1 1    4    2   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   49 o  139.651   23.504   30.740   8.2002   25.319   11.794   35.813   11.409  111.006   35.937  140.372   32.079 -29.36621 48.17191 
1 1 1    4    3    0 o  1312.88   13.740  2235.17   46.726  2192.00   91.955  2250.20   54.253  1297.74   27.355  1317.00   15.903 -19.26453 31.64196 
1 1 1    4    3    1 o  1040.89   11.670  1404.50   31.466  1430.47   45.136  1379.95   43.889  1049.98   16.595  1031.29   16.430 18.69019 23.35246 
1 1 1    4    3    2 o  1081.57   13.810  1516.98   38.691  1505.36   47.127  1541.00   67.770  1077.08   16.892  1088.70   24.031 -11.61670 29.37397 
1 1 1    4    3    3 o  417.290   9.1582  225.653   9.8992  228.796   12.236  219.700   16.841  420.126   11.244  411.519   15.799 8.606171 19.39145 
1 1 1    4    3    4 o  692.636   9.3539  621.714   16.782  624.037   23.800  619.415   23.668  693.721   13.245  691.148   13.220 2.572327 18.71337 
1 1 1    4    3    5 o  815.398   10.156  861.737   21.451  866.647   30.474  856.914   30.200  817.420   14.392  812.821   14.344 4.599060 20.31947 
1 1 1    4    3    6 o  291.674   7.8346  110.232   5.9192   97.830   11.427  114.781   6.9201  274.101   16.165  297.610   8.9766 -23.50858 18.49041 
1 1 1    4    3    7 o  523.301   8.4964  354.866   11.517  361.564   16.418  348.376   16.160  528.070   12.002  518.349   12.036 9.721130 16.99759 
1 1 1    4    3    8 o  469.411   8.3348  285.547   10.134  284.676   14.336  286.416   14.328  468.560   11.812  469.992   11.769 -1.432037 16.67451 
1 1 1    4    3    9 o  805.809   10.154  841.767   21.194  820.875   29.480  864.118   30.492  795.380   14.309  816.049   14.425 -20.66913 20.31783 
1 1 1    4    3   10 o  546.542   12.370  387.489   17.513  393.600   24.999  381.600   24.541  550.393   17.535  541.943   17.482 8.449890 24.76060 
1 1 1    4    3   11 o  727.275   11.248  686.135   21.191  679.900   36.536  689.295   26.013  722.808   19.514  728.658   13.782 -5.849487 23.89009 
1 1 1    4    3   12 o  382.958   8.3774  190.161   8.3102  190.973   11.882  189.383   11.627  383.547   11.959  381.962   11.752 1.584900 16.76702 
1 1 1    4    3   13 o  291.579   8.4683  110.287   6.3959  107.325   9.1123  113.163   8.9794  287.388   12.241  295.140   11.745 -7.752075 16.96452 
1 1 1    4    3   14 o   92.986   14.232   11.515   3.3188   8.9085   4.7700   13.962   4.6206   81.094   22.103  101.880   18.176 -20.78616 28.61665 
1 1 1    4    3   15 o  353.945   8.5985  162.575   7.8833  158.757   11.172  166.361   11.125  349.397   12.344  357.706   12.007 -8.309723 17.22067 
1 1 1    4    3   16 o  507.595   8.9304  334.276   11.742  332.552   16.719  335.954   16.494  505.829   12.761  508.442   12.524 -2.613464 17.87942 
1 1 1    4    3   17 o  373.672   8.9389  181.077   8.6521  184.724   12.357  177.569   12.119  377.172   12.648  369.796   12.651 7.376770 17.88932 
1 1 1    4    3   18 o  541.687   9.2989  380.420   13.048  386.422   18.641  374.655   18.269  545.659   13.189  537.292   13.126 8.367126 18.60768 
1 1 1    4    3   19 o  815.903   10.622  863.126   22.448  860.563   31.817  865.665   31.676  814.236   15.086  816.660   14.974 -2.423340 21.25552 
1 1 1    4    3   20 o  1014.82   13.786  1336.10   36.239  1317.27   43.969  1376.00   63.991  1007.22   16.853  1028.08   24.029 -20.86133 29.34981 
1 1 1    4    3   21 o  809.153   15.385  849.746   32.245   0.0000   0.0000  849.746   32.245  ?   ?   809.153   15.385 0.000000 15.38461 
1 1 1    4    3   22 o  798.477   12.560  826.957   25.978  838.790   32.100  804.500   44.223  803.871   15.416  786.416   21.709 17.45563 26.62618 
1 1 1    4    3   23 o  605.798   11.546  475.962   18.118  481.290   22.368  465.800   30.892  608.967   14.181  598.485   19.927 10.48254 24.45779 
1 1 1    4    3   24 o  781.478   10.701  792.002   21.661  781.214   30.366  803.178   30.909  775.630   15.114  786.450   15.172 -10.81976 21.41589 
1 1 1    4    3   25 o  209.763   13.115   57.336   7.0903   62.261   10.329   52.949   9.7501  218.001   18.466  200.845   18.966 17.15598 26.47040 
1 1 1    4    3   26 o  480.339   10.161  299.279   12.643  283.144   17.593  316.510   18.181  466.838   14.549  493.613   14.219 -26.77509 20.34314 
1 1 1    4    3   27 o  566.218   11.768  416.205   17.260  415.600   30.719  416.484   20.866  564.359   21.013  566.101   14.229 -1.741760 25.37794 
1 1 1    4    3   28 o  810.390   12.856  853.347   26.987  852.900   47.598  853.558   32.761  807.376   22.759  809.863   15.617 -2.486938 27.60218 
1 1 1    4    3   29 o  429.647   10.465  239.697   11.647  240.969   16.571  238.455   16.374  430.222   14.870  427.987   14.770 2.235260 20.95851 
1 1 1    4    3   30 o  108.985   30.597   16.246   8.9918   22.590   17.123   13.830   10.566  130.812   43.353  103.480   34.043 27.33241 55.12214 
1 1 1    4    3   31 o   67.314   28.471   0.7490   8.5568   3.8570   10.824  -4.4300   13.972   80.743   32.887   77.374   34.473 3.369553 47.64383 
1 1 1    4    3   32 o  650.776   10.543  551.176   17.772  576.373   26.104  529.408   24.263  663.761   15.182  636.335   14.720 27.42682 21.14685 
1 1 1    4    3   33 o  406.048   10.860  214.851   11.422  205.537   16.264  223.916   16.045  395.781   15.864  413.385   14.984 -17.60486 21.82192 
1 1 1    4    3   34 o  513.954   10.431  344.337   13.887  357.173   20.195  332.824   19.127  521.674   14.945  503.705   14.659 17.96939 20.93440 
1 1 1    4    3   35 o  435.014   10.585  246.957   11.928  241.604   17.028  252.114   16.713  428.494   15.342  437.984   14.731 -9.489807 21.26933 
1 1 1    4    3   36 o  377.317   10.766  186.059   10.522  178.553   14.739  193.859   15.026  367.875   15.468  383.471   15.128 -15.59583 21.63545 
1 1 1    4    3   37 o   98.977   25.506   13.928   6.5802   17.259   9.1174   10.306   9.5065  109.082   30.875   89.674   32.182 19.40807 44.59752 
1 1 1    4    3   38 f  183.385   14.744   44.826   6.9447   58.670   10.732   34.853   9.1092  207.525   20.221  158.356   22.870 49.16975 30.52751 
1 1 1    4    3   39 o  187.017   17.016   47.234   8.1528   41.698   9.8170   59.540   14.636  173.046   22.429  203.156   28.604 -30.10992 36.34912 
1 1 1    4    3   40 o  115.326   25.000   19.281   7.2529   25.000   9.0643   9.1020   12.093  130.320   27.705   88.828   35.248 41.49249 44.83271 
1 1 1    4    3   41 o  108.356   25.229   17.220   6.9488   3.1126   10.197   29.453   9.4949   73.134   31.014  141.617   26.867 -68.48260 41.03300 
1 1 1    4    3   42 o  173.427   17.598   41.319   7.7962   34.094   10.972   48.689   11.080  150.137   29.263  184.300   23.764 -34.16327 37.69680 
1 1 1    4    3   43 o  110.621   27.245   18.679   7.7555   16.419   10.986   20.924   10.950  101.118   34.729  112.896   34.365 -11.77823 48.85712 
1 1 1    4    3   44 o  292.298   13.361  114.929   10.116  125.437   14.980  106.120   13.717  298.722   19.466  274.758   19.398 23.96402 27.48092 
1 1 1    4    3   45 o  160.131   21.615   37.409   8.7366   41.323   12.817   34.012   11.941  158.151   32.376  142.333   33.025 15.81859 46.24810 
1 1 1    4    3   46 o  146.451   24.527   32.740   8.9754   35.052   12.729   30.453   12.657  140.553   35.075  128.930   36.339 11.62286 50.50536 
1 1 1    4    3   47 o   69.379   27.698   6.2383   7.5093   15.346   11.044  -1.5934   10.241   92.566   34.449   61.602   28.260 30.96417 44.55692 
1 1 1    4    3   48 o   61.120   30.210 -20.4300   17.537   0.0000   0.0000 -20.4300   17.537  ?   ?    61.120   30.210 0.000000 30.21009 
1 1 1    4    3   49 o   62.184   26.606   3.7553   7.6230  -4.5692   9.7876   16.591   12.154   55.146   26.056   90.285   35.491 -35.13953 44.02914 
1 1 1    4    4    0 o  478.144   8.2932  296.238   10.271  301.343   14.624  291.268   14.430  482.135   11.710  474.005   11.752 8.130249 16.59034 
1 1 1    4    4    1 f  1085.00   12.023  1526.18   33.789  1539.91   48.143  1512.85   47.436  1089.32   17.062  1079.73   16.961 9.597656 24.05768 
1 1 1    4    4    2 o  859.944   10.431  958.484   23.236  956.792   32.803  960.189   32.918  858.865   14.745  860.386   14.771 -1.521240 20.87052 
1 1 1    4    4    3 o  403.842   9.2098  211.348   9.6342  206.155   11.769  221.900   16.775  398.787   11.393  413.570   15.659 -14.78299 19.36495 
1 1 1    4    4    4 o  393.599   15.783  201.000   16.091   0.0000   0.0000  201.000   16.091  ?   ?   393.599   15.783 0.000000 15.78279 
1 1 1    4    4    5 o  258.427   11.417   86.578   7.6426   86.578   7.6426   0.0000   0.0000  258.427   11.417  ?   ?  0.000000 11.41712 
1 1 1    4    4    6 o  191.158   8.4590   47.352   4.1885   39.711   5.8533   55.371   5.9962  174.505   13.044  206.361   11.260 -31.85614 17.23144 
1 1 1    4    4    7 o  478.061   9.6576  296.220   11.959  298.700   20.813  294.998   14.612  479.694   16.750  476.984   11.827 2.710297 20.50465 
1 1 1    4    4    8 o  126.182   10.484   20.783   3.3957   23.810   7.0018   19.852   3.8830  133.753   20.893  123.110   12.343 10.64234 24.26614 
1 1 1    4    4    9 o  457.841   11.899  271.862   14.111  264.500   19.776  279.500   20.143  451.282   16.917  463.914   16.762 -12.63165 23.81521 
1 1 1    4    4   10 o  624.352   9.1974  505.355   14.875  505.546   21.073  505.167   20.999  624.166   13.034  623.936   12.993 0.2300415 18.40371 
1 1 1    4    4   11 o  379.484   11.765  186.872   11.564  190.900   16.412  182.900   16.298  383.193   16.534  375.057   16.776 8.136047 23.55463 
1 1 1    4    4   12 o  470.509   8.6203  287.116   10.506  286.689   14.910  287.536   14.806  469.829   12.252  470.534   12.148 -0.7048340 17.25322 
1 1 1    4    4   13 o   50.968   18.455   2.8036   3.1349   3.9358   4.5448   1.7760   4.3299   60.789   22.189   52.523   21.010 8.266586 30.55794 
1 1 1    4    4   14 o  461.821   8.7195  276.813   10.431  269.376   14.685  284.386   14.819  455.076   12.457  467.618   12.234 -12.54196 17.46036 
1 1 1    4    4   15 o  226.907   9.2392   66.830   5.4304   64.992   7.6786   68.669   7.6809  223.106   13.348  229.401   12.979 -6.295410 18.61815 
1 1 1    4    4   16 o  528.777   9.0389  362.722   12.381  368.757   17.691  356.930   17.332  532.718   12.821  524.112   12.766 8.605469 18.09284 
1 1 1    4    4   17 o  319.187   9.1828  132.115   7.5922  136.887   10.923  127.654   10.561  324.698   12.987  313.555   13.003 11.14224 18.37704 
1 1 1    4    4   18 o  617.959   9.5731  495.091   15.324  498.169   21.826  492.099   21.519  619.554   13.600  615.778   13.491 3.776245 19.15662 
1 1 1    4    4   19 o  587.312   9.5246  447.131   14.490  446.420   20.632  447.823   20.354  586.583   13.579  587.519   13.375 -0.9362183 19.05960 
1 1 1    4    4   20 o  789.285   14.999  808.467   30.665  829.900   44.691  789.400   42.153  798.817   21.599  779.187   20.885 19.63000 30.04486 
1 1 1    4    4   21 o  998.409   16.992  1294.38   43.944  1260.00   60.791  1332.00   63.598  983.829   23.854  1011.46   24.274 -27.62769 34.03334 
1 1 1    4    4   22 o  834.658   12.793  903.686   27.658  903.122   33.940  904.800   47.720  834.066   15.709  833.880   22.093 0.1859741 27.10858 
1 1 1    4    4   23 f  819.653   10.894  871.218   23.129  882.495   33.167  860.542   32.271  824.404   15.532  814.116   15.303 10.28790 21.80408 
1 1 1    4    4   24 o  422.903   10.021  231.910   10.977  234.824   15.571  229.031   15.477  425.301   14.134  420.015   14.226 5.285675 20.05385 
1 1 1    4    4   25 o  508.643   9.9120  335.519   13.059  344.866   19.004  327.156   17.977  515.319   14.237  501.952   13.826 13.36703 19.84561 
1 1 1    4    4   26 o  306.363   11.385  121.802   9.0350  133.162   13.230  111.873   12.368  320.027   15.960  292.851   16.370 27.17664 22.86249 
1 1 1    4    4   27 o  1122.02   12.947  1635.30   37.629  1616.56   52.842  1654.58   53.596  1113.94   18.313  1126.94   18.360 -13.00439 25.93221 
1 1 1    4    4   28 o  481.604   12.150  301.310   15.157  306.500   28.312  299.225   17.945  483.944   22.585  479.636   14.444 4.308258 26.80890 
1 1 1    4    4   29 o  240.025   15.334   75.345   9.4838   25.680   19.075   91.653   10.930  139.251   45.739  264.713   16.016 -125.4624 48.46189 
1 1 1    4    4   30 o  318.895   17.377  133.279   14.300   97.980   22.075  158.800   18.770  269.148   32.309  347.281   20.964 -78.13327 38.51413 
1 1 1    4    4   31 o  242.556   15.647   77.201   9.7785   77.478   11.985   76.650   16.913  242.187   19.263  238.368   27.920 3.819122 33.92086 
1 1 1    4    4   32 o  575.979   10.382  431.767   15.489  437.392   22.239  426.469   21.584  578.252   14.847  571.082   14.591 7.169617 20.81709 
1 1 1    4    4   33 f  119.502   22.805   19.597   6.8016   23.852   9.8186   15.671   9.4309  130.239   29.756  106.237   31.793 24.00262 43.54552 
1 1 1    4    4   34 o   73.362   26.363   6.3011   6.3816   16.584   9.1971  -3.2471   8.8622  108.491   31.113   60.813   27.248 47.67865 41.35763 
1 1 1    4    4   35 o  361.774   10.957  170.930   10.268  167.514   14.715  174.172   14.334  356.492   15.935  363.790   15.211 -7.297424 22.02978 
1 1 1    4    4   36 o  259.936   12.593   88.624   8.4790   89.863   11.938   87.364   12.044  259.533   17.867  255.698   18.306 3.834412 25.58023 
1 1 1    4    4   37 o  215.471   14.138   61.501   7.8471   67.161   11.214   56.071   10.985  222.975   19.615  202.880   21.217 20.09430 28.89454 
1 1 1    4    4   38 o  133.004   20.755   24.468   6.9170   20.419   9.9645   28.233   9.6094  117.115   31.957  140.047   27.471 -22.93172 42.14132 
1 1 1    4    4   39 o  231.031   21.708   73.702   12.839   43.060   19.834   95.800   16.844  159.323   45.690  260.896   25.239 -101.5730 52.19759 
1 1 1    4    4   40 o  151.980   23.640   32.803   9.0040   38.195   11.174   22.820   15.204  161.756   27.663  118.950   40.855 42.80585 49.33914 
1 1 1    4    4   41 o   94.183   27.860   13.205   7.2731   12.374   10.635   13.935   9.9682   93.110   33.950   96.583   33.084 -3.472717 47.40448 
1 1 1    4    4   42 o  235.387   14.606   74.628   8.8617   82.143   12.991   68.089   12.119  242.253   20.907  219.922   21.551 22.33086 30.02598 
1 1 1    4    4   43 o  159.136   19.056   35.485   7.6990   38.297   10.946   32.731   10.832  159.322   27.517  145.285   29.782 14.03645 40.54828 
1 1 1    4    4   44 o  185.086   18.013   47.892   8.5264   45.862   12.015   49.952   12.102  172.906   27.766  181.784   26.478 -8.877930 38.36751 
1 1 1    4    4   45 o  143.479   22.758   30.533   8.1756   50.644   11.482   9.8534   11.644  183.296   24.822   83.852   34.127 99.44389 42.19933 
1 1 1    4    4   46 o   68.472   27.956   5.3605   7.8451   3.9816   11.308   6.6401   10.893   72.337   31.667   75.995   32.132 -3.658264 45.11403 
1 1 1    4    4   47 o   91.722   32.860   14.872   9.9073   5.9227   12.064   33.410   17.363   75.373   32.860  121.060   43.487 -45.68703 54.50572 
1 1 1    4    4   48 f   75.412   33.892   5.4640   13.823   0.0000   0.0000   5.4640   13.823  ?   ?    75.412   33.892 0.000000 33.89206 
1 1 1    4    4   49 o   61.235   26.982   2.5689   8.3297   4.3686   11.792   0.7766   11.768   69.688   31.313   65.172   30.043 4.515327 43.39413 
1 1 1    4    5    0 o  377.398   8.0710  184.552   7.8900  181.648   11.074  187.546   11.245  374.330   11.421  380.360   11.413 -6.029297 16.14578 
1 1 1    4    5    1 o  1438.28   14.781  2683.36   55.066  2714.75   78.740  2653.30   77.039  1445.52   21.029  1429.11   20.811 16.40808 29.58592 
1 1 1    4    5    2 o  1114.31   12.274  1609.92   35.429  1615.94   50.259  1603.98   49.951  1115.79   17.389  1111.66   17.347 4.129028 24.56223 
1 1 1    4    5    3 o  826.164   10.271  884.679   21.980  885.216   31.092  884.142   31.078  826.097   14.530  825.596   14.532 0.5014038 20.55023 
1 1 1    4    5    4 o  663.985   10.728  571.493   18.452  576.890   22.781  561.200   31.461  666.967   13.186  657.424   18.474 9.542542 22.69760 
1 1 1    4    5    5 o  317.745   9.3111  130.848   7.6635  125.278   9.3843  142.000   13.278  310.849   11.655  330.811   15.496 -19.96274 19.38929 
1 1 1    4    5    6 o  306.191   8.3504  121.493   6.6229  130.580   9.5969  113.230   9.1513  317.349   11.675  295.507   11.955 21.84152 16.71017 
1 1 1    4    5    7 o  467.441   16.966  283.700   20.542  283.700   20.542   0.0000   0.0000  467.441   16.966  ?   ?  0.000000 16.96584 
1 1 1    4    5    8 o  452.136   11.952  265.123   13.998  254.600   19.635  276.000   19.962  442.756   17.120  461.018   16.716 -18.26212 23.92742 
1 1 1    4    5    9 o  185.354   9.6220   44.661   4.6039   53.900   9.5072   41.831   5.2620  202.818   18.293  179.229   11.393 23.58936 21.55132 
1 1 1    4    5   10 o  765.768   11.548  760.783   22.907  787.100   40.479  748.386   27.783  777.546   20.098  759.179   14.128 18.36719 24.56693 
1 1 1    4    5   11 o  711.914   11.239  657.765   20.726  658.709   25.435  655.900   35.756  712.054   13.790  709.446   19.457 2.608093 23.84828 
1 1 1    4    5   12 o  363.031   8.5344  170.960   8.0254  169.159   11.388  172.738   11.312  360.817   12.184  364.633   11.976 -3.816376 17.08484 
1 1 1    4    5   13 o  414.715   8.6400  223.198   9.2814  218.517   13.144  227.852   13.107  409.912   12.380  418.615   12.088 -8.703461 17.30226 
1 1 1    4    5   14 o  276.889   8.9402   99.518   6.4122  104.827   9.2171   94.539   8.9262  283.873   12.535  269.560   12.784 14.31262 17.90390 
1 1 1    4    5   15 o  456.045   8.8545  269.870   10.460  266.700   14.833  273.005   14.752  452.915   12.643  458.268   12.428 -5.352295 17.72829 
1 1 1    4    5   16 o  447.346   8.9908  259.564   10.418  267.254   15.089  252.558   14.402  453.579   12.842  440.955   12.609 12.62415 17.99786 
1 1 1    4    5   17 o  578.979   9.4212  434.673   14.129  439.419   20.201  430.128   19.769  581.776   13.405  575.607   13.259 6.168518 18.85478 
1 1 1    4    5   18 o  482.260   9.1930  301.488   11.484  303.044   16.284  299.949   16.198  483.286   13.008  480.811   13.006 2.474762 18.39428 
1 1 1    4    5   19 o  738.403   10.232  706.861   19.571  708.562   27.709  705.168   27.646  738.927   14.477  737.155   14.479 1.772278 20.47442 
1 1 1    4    5   20 o  551.568   13.942  394.709   19.919  346.000   27.194  451.100   29.260  515.905   20.349  589.195   19.172 -73.28967 27.95794 
1 1 1    4    5   21 o  712.731   14.809  659.240   27.340  647.500   38.178  671.600   39.171  705.655   20.887  718.646   21.043 -12.99072 29.64879 
1 1 1    4    5   22 o  186.350   14.292   45.331   6.8462   47.974   9.8067   42.818   9.5619  191.031   20.121  180.246   20.866 10.78554 28.98675 
1 1 1    4    5   23 o  456.161   9.8381  269.787   11.625  264.643   16.591  274.747   16.292  451.531   14.186  460.107   13.670 -8.575714 19.70029 
1 1 1    4    5   24 o  196.426   14.274   50.360   7.2129   41.916   10.171   58.901   10.230  177.944   22.575  211.966   18.828 -34.02229 29.39584 
1 1 1    4    5   25 o  390.618   14.723  198.215   14.897   0.0000   0.0000  198.215   14.897  ?   ?   390.618   14.723 0.000000 14.72313 
1 1 1    4    5   26 o   77.524   26.560   7.2109   6.4246  -5.9095   9.5298   18.142   8.6986   60.614   27.598  115.364   29.109 -54.74973 40.11249 
1 1 1    4    5   27 o  274.684   12.270   97.990   8.7304   94.849   12.752  100.762   11.978  269.168   18.399  277.718   16.729 -8.550568 24.86735 
1 1 1    4    5   28 o  110.794   23.383   16.679   6.4998   11.651   8.9914   22.182   9.4068   95.667   31.401  127.248   29.163 -31.58036 42.85508 
1 1 1    4    5   29 o  178.206   19.317   41.998   8.7742   47.930   17.995   40.147   10.050  185.663   38.673  173.450   22.931 12.21379 44.96012 
1 1 1    4    5   30 f  282.272   15.134  104.233   11.025  133.600   22.467   94.917   12.654  316.242   27.706  268.696   18.289 47.54608 33.19783 
1 1 1    4    5   31 o  140.662   23.429   26.829   8.2361   23.034   10.218   33.870   13.917  128.492   31.046  155.094   35.419 -26.60155 47.09925 
1 1 1    4    5   32 o   66.142   25.371   4.0822   6.0946   0.2439   8.2293   8.7448   9.0700   64.810   27.684   86.733   31.394 -21.92377 41.85651 
1 1 1    4    5   33 o  208.996   13.186   57.339   7.1017   64.094   9.8494   50.025   10.249  219.949   17.430  193.180   20.811 26.76910 27.14588 
1 1 1    4    5   34 o  462.828   10.382  279.330   12.447  294.779   17.825  264.628   17.388  473.921   14.520  448.850   14.956 25.07123 20.84507 
1 1 1    4    5   35 o  324.988   11.087  138.004   9.3330  146.665   13.502  130.080   12.915  333.586   15.626  313.665   15.949 19.92102 22.32751 
1 1 1    4    5   36 o  387.361   11.024  196.301   11.062  201.700   15.905  191.243   15.394  390.636   15.718  380.422   15.622 10.21448 22.16132 
1 1 1    4    5   37 o  297.520   11.345  116.076   8.7433  124.015   13.227  109.915   11.652  304.860   16.815  287.499   15.706 17.36096 23.00895 
1 1 1    4    5   38 o  114.657   24.255   18.736   6.9788   25.591   10.011   12.254   9.7342  131.824   29.992   94.004   32.667 37.81956 44.34695 
1 1 1    4    5   39 o  241.337   20.935   80.157   12.958   82.900   21.000   78.470   16.466  233.042   35.945  233.749   27.736 -0.7063446 45.40141 
1 1 1    4    5   40 o   65.977   27.733   2.3678   8.0385   6.6615   9.8529  -6.1790   13.901   79.549   31.737   70.479   32.546 9.070313 45.45891 
1 1 1    4    5   41 f  185.696   16.841   46.975   8.0124   36.847   11.759   55.753   10.947  156.133   30.167  199.441   21.532 -43.30811 37.06300 
1 1 1    4    5   42 f   97.112   28.093   14.350   7.4691   0.8128   10.813   26.703   10.330   70.014   30.800  130.883   30.954 -60.86871 43.66696 
1 1 1    4    5   43 o  167.320   19.031   39.255   8.1016   48.394   11.890   31.334   11.069  180.225   26.239  140.604   31.207 39.62135 40.77200 
1 1 1    4    5   44 o  126.771   25.813   24.519   8.1883   31.123   11.884   18.550   11.298  136.057   33.857  104.030   35.224 32.02674 48.85677 
1 1 1    4    5   45 o   60.675   26.378   1.4940   7.7281   1.2782   11.083   1.6981   10.781   68.640   30.633   68.593   30.436 0.4724121E-01 43.18252 
1 1 1    4    5   46 o   72.975   28.690   7.2878   7.9428  -1.4634   10.741   17.848   11.799   63.379   29.026   98.680   35.793 -35.30013 46.08268 
1 1 1    4    5   47 o   66.525   28.841   3.5180   9.1881   9.0375   11.674  -5.4670   14.895   79.611   33.441   66.988   31.796 12.62218 46.14390 
1 1 1    4    5   48 o   58.303   27.903  -7.3612   11.967  -4.0790   15.991 -11.5400   18.043   68.552   32.654   66.441   32.383 2.111900 45.98881 
1 1 1    4    5   49 o  101.383   29.398   18.635   8.1702   14.208   12.294   22.136   10.934   84.748   34.844  103.692   34.654 -18.94405 49.14274 
1 1 1    4    6    0 o  2239.75   21.536  6519.69  124.942  6671.52  181.293  6382.33  172.431  2261.52   30.948  2212.39   30.089 49.12720 43.16356 
1 1 1    4    6    1 o  1108.00   12.267  1591.82   35.208  1612.28   50.356  1572.26   49.246  1114.46   17.444  1100.56   17.274 13.89612 24.54962 
1 1 1    4    6    2 o  1105.63   12.253  1585.02   35.093  1610.35   50.306  1561.02   48.978  1113.77   17.437  1096.61   17.242 17.16394 24.52242 
1 1 1    4    6    3 o  323.528   8.1941  135.635   6.8669  136.477   9.7526  134.806   9.6704  324.446   11.605  322.454   11.578 1.991425 16.39245 
1 1 1    4    6    4 o  659.840   9.3671  564.291   16.010  568.887   22.733  559.769   22.551  662.287   13.252  656.958   13.252 5.329102 18.74088 
1 1 1    4    6    5 o  954.046   12.939  1180.51   31.975  1176.76   39.164  1188.00   55.377  952.192   15.878  955.736   22.369 -3.543945 27.43144 
1 1 1    4    6    6 o  1185.10   18.185  1824.35   55.823  1836.00   79.455  1813.00   78.446  1187.10   25.839  1179.69   25.672 7.413818 36.42394 
1 1 1    4    6    7 o  200.099   10.726   52.063   5.5392   51.177   7.0342   53.510   8.9869  198.123   13.792  202.235   17.323 -4.111420 22.14291 
1 1 1    4    6    8 o   86.116   14.419   9.8865   3.1027   12.580   6.6618   9.1404   3.5061   96.588   26.036   82.376   16.996 14.21230 31.09185 
1 1 1    4    6    9 o  248.943   8.8483   80.342   5.7057   66.630   11.360   84.968   6.5983  225.432   19.651  255.976   9.9514 -30.54433 22.02665 
1 1 1    4    6   10 o  290.318   12.814  109.435   9.6362   0.0000   0.0000  109.435   9.6362  ?   ?   290.318   12.814 0.000000 12.81390 
1 1 1    4    6   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    6   12 o  551.098   9.0363  394.171   12.899  381.708   18.041  407.206   18.451  541.737   12.856  559.562   12.730 -17.82501 18.09237 
1 1 1    4    6   13 o  406.500   8.6866  214.474   9.1466  209.723   12.969  219.175   12.902  401.516   12.470  410.513   12.133 -8.996979 17.39844 
1 1 1    4    6   14 o  145.404   11.927   27.669   4.4527   31.395   6.3844   24.141   6.2133  154.321   16.214  134.727   18.276 19.59326 24.43131 
1 1 1    4    6   15 o  525.716   9.1292  358.588   12.432  351.757   17.498  365.550   17.666  520.212   12.985  530.332   12.860 -10.11975 18.27548 
1 1 1    4    6   16 o  258.613   9.7069   86.752   6.5025   82.601   9.1307   91.024   9.2627  251.751   14.058  264.367   13.572 -12.61598 19.54034 
1 1 1    4    6   17 o  356.055   9.3398  164.367   8.6140  159.461   12.231  169.195   12.134  350.501   13.472  361.069   12.973 -10.56760 18.70285 
1 1 1    4    6   18 o  737.486   10.225  705.154   19.532  716.942   28.040  694.042   27.225  743.222   14.565  731.277   14.372 11.94568 20.46214 
1 1 1    4    6   19 o  169.075   20.473   37.705   8.7835   29.960   12.426   45.440   12.418  148.467   33.149  184.829   26.712 -36.36160 42.57203 
1 1 1    4    6   20 o  265.361   13.346   91.577   9.1442   90.334   11.664   93.560   14.730  263.185   17.204  267.363   21.450 -4.177612 27.49658 
1 1 1    4    6   21 o  143.924   23.146   27.635   8.3363   20.857   10.606   38.590   13.484  124.042   32.587  169.085   31.959 -45.04210 45.64261 
1 1 1    4    6   22 o  885.659   11.307  1017.26   25.941  1004.15   36.574  1030.54   36.798  879.337   16.057  890.834   15.947 -11.49664 22.63042 
1 1 1    4    6   23 o  528.188   9.8998  361.734   13.545  357.014   19.325  366.292   18.989  524.414   14.227  531.220   13.800 -6.806824 19.82013 
1 1 1    4    6   24 o  491.578   9.9483  313.375   12.668  302.255   18.051  324.164   17.781  482.435   14.445  499.679   13.738 -17.24332 19.93442 
1 1 1    4    6   25 o  205.283   14.065   54.993   7.4341   48.763   10.855   60.497   10.202  192.087   22.226  214.800   18.518 -22.71280 28.92904 
1 1 1    4    6   26 o  143.770   19.473   27.423   7.0654   19.118   10.117   35.331   9.8720  118.517   32.142  162.654   24.166 -44.13699 40.21289 
1 1 1    4    6   27 o  220.068   13.785   63.199   7.8185   46.082   10.949   81.011   11.169  186.269   23.194  248.767   17.443 -62.49823 29.02104 
1 1 1    4    6   28 o  368.406   10.747  176.245   10.256  161.170   14.447  191.560   14.562  351.756   15.856  383.647   14.653 -31.89172 21.59027 
1 1 1    4    6   29 o  296.903   17.806  115.563   13.631   71.110   20.219  152.600   18.455  228.038   35.376  340.573   21.023 -112.5353 41.15102 
1 1 1    4    6   30 o   95.527   32.266   11.536   9.4801   0.0000   0.0000   11.536   9.4801  ?   ?    95.527   32.266 0.000000 32.26603 
1 1 1    4    6   31 o   42.083   20.527 -13.1487   7.2887 -19.2386   9.4101  -4.0160   11.524   45.888   22.575   69.827   31.194 -23.93927 38.50576 
1 1 1    4    6   32 o  353.600   11.180  162.948   10.240  162.057   14.657  163.798   14.312  351.462   16.100  353.475   15.631 -2.013306 22.43921 
1 1 1    4    6   33 o  376.714   10.719  185.029   10.460  177.268   14.866  192.639   14.720  367.358   15.622  383.220   14.829 -15.86151 21.53963 
1 1 1    4    6   34 o   45.789   21.366  -5.5777   6.2342   7.3294   8.6923 -19.2500   8.9462   81.556   30.520   43.759   21.619 37.79730 37.40160 
1 1 1    4    6   35 o  163.085   16.669   35.508   6.9425   36.068   10.194   35.023   9.4810  161.421   25.204  159.617   23.647 1.803452 34.56006 
1 1 1    4    6   36 o  260.454   12.824   89.114   8.6517   91.162   12.391   87.167   12.085  260.875   18.456  255.089   18.414 5.785690 26.07096 
1 1 1    4    6   37 o   68.699   25.731   5.2512   6.1809   10.307   9.2634   1.1946   8.2981   88.857   31.780   65.515   27.887 23.34292 42.28126 
1 1 1    4    6   38 f  296.245   14.079  116.306   10.804  112.224   13.223  124.500   18.737  288.578   17.777  298.992   24.406 -10.41397 30.19357 
1 1 1    4    6   39 o  214.927   20.246   63.538   11.139   0.0000   0.0000   63.538   11.139  ?   ?   214.927   20.246 0.000000 20.24632 
1 1 1    4    6   40 o   89.791   27.830   11.820   7.1425   11.522   9.2118   12.270   11.310   90.023   31.745   93.833   34.873 -3.809189 47.15807 
1 1 1    4    6   41 o   54.020   23.784  -0.6245   6.4599   0.3520   9.1038  -1.6147   9.1678   64.937   28.421   61.967   27.743 2.970905 39.71666 
1 1 1    4    6   42 o  151.092   18.526   31.780   7.0988   37.004   10.344   27.130   9.7597  158.128   26.170  132.934   29.146 25.19392 39.17100 
1 1 1    4    6   43 o   60.693   25.173   2.7550   6.4931   3.9528   9.0325   1.4742   9.3406   70.006   29.411   66.269   28.902 3.736816 41.23478 
1 1 1    4    6   44 f   58.972   25.461   1.3629   7.1020   0.9559   9.6776   1.8378   10.455   65.489   28.958   68.727   30.259 -3.238480 41.88288 
1 1 1    4    6   45 o  103.608   28.684   17.530   7.9605   13.231   10.597   23.099   12.060   89.516   33.660  112.130   36.344 -22.61410 49.53617 
1 1 1    4    6   46 o   40.254   19.869 -13.5906   7.4937 -12.6795   10.209 -14.6551   11.035   50.223   24.452   51.097   24.995 -0.8748779 34.96652 
1 1 1    4    6   47 f   81.693   34.687   10.034   12.781   6.7590   19.219   12.630   17.112   82.862   38.266   87.661   38.648 -4.799057 54.38669 
1 1 1    4    6   48 o   77.950   32.714   9.5053   11.156   10.530   15.131   8.2850   16.512   81.813   36.191   80.064   36.405 1.748703 51.33363 
1 1 1    4    7    0 f  807.637   14.430  846.235   30.189  873.200   43.645  821.500   41.801  819.687   20.556  795.085   20.297 24.60168 28.88764 
1 1 1    4    7    1 o  961.262   13.022  1198.42   32.425  1195.00   55.788  1200.17   39.846  958.570   22.468  961.620   15.997 -3.050110 27.58112 
1 1 1    4    7    2 o  262.761   11.706   89.524   7.9673   89.180   11.337   89.860   11.200  261.559   16.822  262.586   16.551 -1.027313 23.59853 
1 1 1    4    7    3 o  223.501   12.136   64.969   6.9994   66.600   10.014   63.410   9.7876  225.824   17.249  220.313   17.290 5.510895 24.42261 
1 1 1    4    7    4 o  1064.33   16.933  1470.89   46.684  1503.00   67.235  1441.00   64.872  1074.48   24.157  1052.16   23.803 22.31580 33.91372 
1 1 1    4    7    5 f  843.035   12.147  921.749   26.525  914.820   32.412  935.800   46.154  839.567   14.904  848.269   21.005 -8.702271 25.75535 
1 1 1    4    7    6 o  404.684   9.8715  212.313   10.348  207.868   12.723  221.000   17.786  400.319   12.270  412.508   16.645 -12.18964 20.67857 
1 1 1    4    7    7 o  365.744   9.9519  173.441   9.4283  174.350   11.752  171.800   15.794  366.591   12.376  363.641   16.767 2.949493 20.83994 
1 1 1    4    7    8 o  235.231   9.5784   71.748   5.8363   63.099   8.3607   79.969   8.1509  219.930   14.762  247.905   12.736 -27.97478 19.49645 
1 1 1    4    7    9 f  346.819   12.394  156.150   11.134   0.0000   0.0000  156.150   11.134  ?   ?   346.819   12.394 0.000000 12.39380 
1 1 1    4    7   10 o  252.319   9.2401   82.592   6.0392   85.020   12.373   81.833   6.9194  254.646   18.892  251.089   10.639 3.557480 21.68163 
1 1 1    4    7   11 f  280.827   9.2506  102.356   6.7292  116.600   13.966   98.049   7.6794  298.299   18.161  274.751   10.790 23.54773 21.12472 
1 1 1    4    7   12 o  206.617   10.031   55.449   5.3686   52.270   11.542   56.327   6.0645  198.158   22.909  207.861   11.306 -9.703903 25.54719 
1 1 1    4    7   13 o  395.384   8.8055  202.915   9.0183  200.518   12.714  205.343   12.794  392.603   12.502  397.309   12.432 -4.705505 17.63076 
1 1 1    4    7   14 o  308.156   9.0348  123.231   7.2117  129.903   10.372  116.987   10.034  316.087   12.668  299.940   12.915 16.14740 18.09085 
1 1 1    4    7   15 o  439.154   9.0720  250.158   10.320  259.873   14.871  241.134   14.333  447.259   12.836  430.832   12.843 16.42783 18.15785 
1 1 1    4    7   16 o  540.577   9.3751  378.937   13.128  387.890   18.847  370.500   18.295  546.587   13.312  534.203   13.221 12.38385 18.76207 
1 1 1    4    7   17 o  1079.80   12.359  1512.65   34.567  1544.12   49.740  1483.24   48.073  1090.03   17.616  1068.37   17.371 21.65405 24.74051 
1 1 1    4    7   18 o  183.669   15.224   44.089   7.1778   41.757   8.6380   49.290   12.902  178.245   19.002  192.647   26.561 -14.40184 32.65831 
1 1 1    4    7   19 o  785.722   15.202  801.290   30.940  801.600   44.529  801.000   43.021  784.970   21.900  784.792   21.163 0.1786499 30.45454 
1 1 1    4    7   20 o  795.195   15.362  820.777   31.642  810.600   44.380  831.300   45.127  789.385   21.705  799.386   21.794 -10.00110 30.75795 
1 1 1    4    7   21 o  1194.46   13.370  1851.15   41.366  1813.67   57.536  1891.24   59.514  1181.28   18.803  1206.23   19.048 -24.94202 26.76519 
1 1 1    4    7   22 o  517.526   9.9264  347.261   13.307  347.938   19.199  346.636   18.460  517.727   14.316  516.799   13.790 0.9276733 19.87742 
1 1 1    4    7   23 f  116.864   22.322   18.384   6.5108   16.780   9.7289   19.685   8.7621  111.790   31.982  120.303   28.547 -8.513031 42.86927 
1 1 1    4    7   24 o  767.006   10.800  763.159   21.457  761.828   30.550  764.455   30.142  765.702   15.403  767.058   15.171 -1.356079 21.61934 
1 1 1    4    7   25 o  438.379   10.373  249.314   11.778  234.834   16.716  263.590   16.598  425.051   15.183  450.422   14.226 -25.37119 20.80640 
1 1 1    4    7   26 o  221.988   13.731   64.280   7.8567   82.014   11.825   50.265   10.512  250.228   18.372  195.112   21.138 55.11668 28.00663 
1 1 1    4    7   27 o  314.886   11.523  128.771   9.3987  124.802   13.388  132.628   13.198  309.073   16.785  318.763   16.035 -9.688965 23.21362 
1 1 1    4    7   28 o  265.034   12.794   91.339   8.7832   93.845   12.730   89.063   12.134  267.444   18.490  260.580   18.089 6.863525 25.86637 
1 1 1    4    7   29 o  221.665   21.336   65.063   12.099   62.190   19.373   66.900   15.492  212.316   36.544  223.266   27.360 -10.95010 45.65137 
1 1 1    4    7   30 o  169.244   35.564   40.110   15.096   0.0000   0.0000   40.110   15.096  ?   ?   169.244   35.564 0.000000 35.56427 
1 1 1    4    7   31 o  259.735   33.309   92.940   21.894   92.940   21.894   0.0000   0.0000  259.735   33.309  ?   ?  0.000000 33.30940 
1 1 1    4    7   32 o  430.105   10.788  241.072   12.019  236.693   17.355  245.109   16.662  424.698   15.776  432.496   14.873 -7.798340 21.68141 
1 1 1    4    7   33 o  203.272   13.952   54.398   7.3017   56.159   10.306   52.622   10.347  204.952   19.653  198.076   20.461 6.876236 28.37056 
1 1 1    4    7   34 o  485.829   10.615  308.078   13.358  350.242   19.873  273.323   18.042  516.092   14.865  455.717   15.284 60.37564 21.32117 
1 1 1    4    7   35 o   51.264   22.840  -1.9602   6.1339   3.8307   9.1941  -6.6053   8.2344   74.305   30.293   53.120   24.709 21.18504 39.09200 
1 1 1    4    7   36 o  298.552   11.768  116.905   9.1009  120.652   13.138  113.448   12.619  300.854   16.927  291.786   16.767 9.068115 23.82538 
1 1 1    4    7   37 o  273.138   12.172   98.152   8.6121  101.216   11.957   94.850   12.414  274.936   16.872  265.428   18.165 9.507996 24.79177 
1 1 1    4    7   38 o  268.320   14.018   95.733   9.7089   93.399   11.935  100.300   16.694  263.055   17.617  267.866   24.325 -4.811798 30.03454 
1 1 1    4    7   39 o   93.160   28.441   12.747   7.4919   2.2590   11.296   20.985   10.011   74.897   32.224  117.093   32.064 -42.19619 45.45878 
1 1 1    4    7   40 o   54.398   23.784  -0.3194   6.3604   4.7177   9.1100  -5.1099   8.8842   73.475   30.077   56.237   25.987 17.23852 39.74813 
1 1 1    4    7   41 o  181.169   16.994   44.906   7.8818   39.145   11.356   50.261   10.949  161.944   28.089  187.794   22.987 -25.85039 36.29608 
1 1 1    4    7   42 o  174.890   17.612   42.280   7.8698   48.761   11.302   36.179   10.965  182.886   24.471  154.208   28.500 28.67799 37.56422 
1 1 1    4    7   43 o  169.289   18.134   40.095   7.8281   37.616   11.236   42.433   10.913  155.568   28.948  168.145   25.885 -12.57738 38.83352 
1 1 1    4    7   44 o  123.295   25.866   23.451   7.9973   25.029   11.140   21.773   11.487  120.218   34.164  110.918   35.421 9.299904 49.21221 
1 1 1    4    7   45 o  118.179   27.990   22.562   8.4362   21.555   11.863   23.592   12.000  107.970   36.096  112.817   36.221 -4.847656 51.13527 
1 1 1    4    7   46 o  104.263   30.195   18.640   8.6243   15.964   12.072   21.429   12.325   93.417   35.737  105.247   36.748 -11.83056 51.25945 
1 1 1    4    7   47 o   57.796   27.101  -4.0825   10.236   2.9470   18.390  -7.2382   12.321   78.099   36.526   59.621   28.473 18.47885 46.31255 
1 1 1    4    7   48 o   57.005   26.725  -3.3425   9.9469  -8.6433   12.128   7.5490   17.385   56.969   27.476   79.138   36.493 -22.16932 45.67974 
1 1 1    4    8    0 o  349.649   8.5358  158.444   7.7308  163.495   10.940  153.407   10.926  355.067   11.895  343.925   12.264 11.14169 17.08517 
1 1 1    4    8    1 o  950.294   11.245  1170.97   27.681  1185.54   39.548  1156.97   38.757  955.619   15.977  944.052   15.849 11.56610 22.50432 
1 1 1    4    8    2 o  484.283   8.7167  303.971   10.935  297.567   15.338  310.589   15.593  478.981   12.362  489.353   12.302 -10.37204 17.43980 
1 1 1    4    8    3 f  592.438   9.1486  454.946   14.039  449.518   19.768  460.471   19.943  588.652   12.964  595.783   12.922 -7.131531 18.30469 
1 1 1    4    8    4 o  430.742   8.6493  240.484   9.6505  240.087   13.664  240.879   13.632  430.221   12.261  430.933   12.212 -0.7114868 17.30532 
1 1 1    4    8    5 o  114.516   13.544   17.255   3.9397   20.185   5.5036   14.177   5.6422  123.378   17.730  102.419   21.929 20.95950 28.20013 
1 1 1    4    8    6 o  412.276   8.8244  220.344   9.4237  222.003   13.322  218.683   13.332  413.634   12.434  410.523   12.537 3.111267 17.65760 
1 1 1    4    8    7 o  715.409   13.951  664.630   25.854  661.600   36.745  667.600   36.383  712.802   19.901  716.082   19.615 -3.279785 27.94283 
1 1 1    4    8    8 f  314.998   18.071  129.600   14.683  129.600   14.683   0.0000   0.0000  314.998   18.071  ?   ?  0.000000 18.07138 
1 1 1    4    8    9 f   58.372   21.474   3.5308   4.2684   7.6715   6.1866  -0.2309   5.8968   78.453   26.062   54.643   23.390 23.81005 35.01862 
1 1 1    4    8   10 o  280.728   9.3966  102.292   6.8329   90.860   14.011  105.859   7.8267  262.672   20.762  285.497   10.583 -22.82501 23.30365 
1 1 1    4    8   11 o  503.807   9.1411  329.526   11.929  318.100   23.693  333.406   13.807  493.160   18.547  506.568   10.522 -13.40781 21.32410 
1 1 1    4    8   12 o  438.614   9.0608  249.763   10.294  224.600   20.226  258.560   11.959  414.282   18.848  446.108   10.349 -31.82574 21.50272 
1 1 1    4    8   13 o  544.973   9.4803  385.552   13.383  375.400   26.326  389.090   15.541  535.880   18.965  547.253   10.963 -11.37250 21.90605 
1 1 1    4    8   14 o  575.595   9.3648  429.854   13.963  436.039   19.920  423.881   19.577  579.206   13.277  571.080   13.234 8.125916 18.74633 
1 1 1    4    8   15 o  461.347   9.2748  276.031   11.084  268.247   15.617  283.931   15.733  454.478   13.266  467.601   12.989 -13.12347 18.56609 
1 1 1    4    8   16 o  612.101   9.7153  485.805   15.404  486.110   21.876  485.504   21.694  611.938   13.801  611.567   13.695 0.3710327 19.44235 
1 1 1    4    8   17 o  731.738   10.298  694.236   19.519  691.343   27.545  697.153   27.663  729.812   14.571  732.873   14.572 -3.060486 20.60715 
1 1 1    4    8   18 o  561.523   20.417  410.000   29.697  410.000   29.697   0.0000   0.0000  561.523   20.417  ?   ?  0.000000 20.41740 
1 1 1    4    8   19 o   55.380   23.725  -0.3474   6.0760   1.9930   7.8364  -3.8750   9.6210   67.968   27.867   64.102   28.579 3.865166 39.91690 
1 1 1    4    8   20 o  620.992   14.186  500.432   22.819  487.800   31.384  514.600   33.237  612.538   19.780  629.063   20.398 -16.52570 28.41327 
1 1 1    4    8   21 o  444.150   9.7733  255.753   11.244  255.982   16.273  255.543   15.554  444.102   14.146  443.761   13.532 0.3412476 19.57584 
1 1 1    4    8   22 o  483.384   9.9566  302.978   12.467  295.593   17.460  310.659   17.807  477.174   14.126  489.190   14.052 -12.01556 19.92509 
1 1 1    4    8   23 o  372.784   14.691  180.495   14.186   0.0000   0.0000  180.495   14.186  ?   ?   372.784   14.691 0.000000 14.69103 
1 1 1    4    8   24 o   62.741   24.442   3.1508   5.7222   8.5482   9.2193  -0.2315   7.2982   87.912   31.677   60.931   26.050 26.98142 41.01235 
1 1 1    4    8   25 o  174.819   16.805   40.131   7.5159   47.611   11.185   33.973   10.149  189.489   23.277  159.176   25.473 30.31319 34.50646 
1 1 1    4    8   26 o  204.382   14.221   54.570   7.4819   59.134   10.289   49.450   10.899  212.126   18.925  193.261   22.173 18.86557 29.15107 
1 1 1    4    8   27 o  252.146   13.293   82.895   8.6512   75.090   12.576   89.905   11.919  238.809   20.531  261.977   17.668 -23.16805 27.08595 
1 1 1    4    8   28 o  303.411   13.166  119.778   10.347  120.264   12.660  118.800   17.959  303.250   16.175  299.844   23.306 3.405975 28.36851 
1 1 1    4    8   29 o  282.782   14.614  104.554   10.668   90.910   22.195  108.654   12.166  258.196   34.013  287.944   16.379 -29.74728 37.75148 
1 1 1    4    8   30 o  303.571   15.360  120.777   12.039  106.500   15.570  142.000   18.983  283.429   21.365  327.092   22.543 -43.66269 31.05885 
1 1 1    4    8   31 o  203.408   17.854   54.806   9.3119   71.360   17.919   48.682   10.899  227.639   31.211  190.331   22.545 37.30904 38.50216 
1 1 1    4    8   32 o  354.320   11.544  163.828   10.595  181.511   16.155  150.481   14.035  371.400   16.792  338.409   16.011 32.99115 23.20193 
1 1 1    4    8   33 o  160.452   17.090   34.332   6.9935   41.155   10.489   28.871   9.3838  173.624   23.960  144.217   26.080 29.40773 35.41525 
1 1 1    4    8   34 o   74.864   27.007   6.6412   6.7042  -6.2973   9.5523   19.202   9.4117   58.823   27.098  115.724   30.839 -56.90071 41.05340 
1 1 1    4    8   35 f  153.090   18.692   31.660   7.2583   27.637   10.377   35.513   10.156  138.740   29.768  159.673   25.405 -20.93373 39.13509 
1 1 1    4    8   36 o  110.793   21.462   17.106   5.9368   28.331   9.1115   8.8248   7.8261  141.570   25.797   82.779   29.253 58.79131 39.00292 
1 1 1    4    8   37 o  106.271   22.795   16.000   6.0867   25.860   7.9174   1.7518   9.5177  135.585   23.388   70.075   29.848 65.51041 37.92014 
1 1 1    4    8   38 o  126.726   32.193   24.399   10.589   20.450   18.353   26.370   12.964  116.110   44.148  129.349   36.888 -13.23943 57.53072 
1 1 1    4    8   39 o   70.721   28.967   4.0773   8.4561   6.6630   12.021   1.5450   11.897   83.729   34.444   75.020   32.671 8.708664 47.47379 
1 1 1    4    8   40 o   57.808   25.045   0.3648   6.9197   4.0074   9.9871  -2.9983   9.5965   73.944   30.988   61.397   27.854 12.54652 41.66697 
1 1 1    4    8   41 o  102.594   27.574   16.000   7.4854   18.301   10.851   13.912   10.339  106.766   34.461   95.481   33.636 11.28541 48.15539 
1 1 1    4    8   42 o  179.892   17.637   44.838   8.1127   36.154   11.962   52.234   11.039  151.063   31.587  190.268   22.856 -39.20428 38.98893 
1 1 1    4    8   43 o  166.650   19.643   39.492   8.3166   62.548   12.234   19.686   11.339  206.643   23.261  106.918   35.272 99.72585 42.25155 
1 1 1    4    8   44 o  202.125   17.327   57.280   8.9839   66.283   12.638   48.084   12.773  211.060   23.517  173.425   29.489 37.63464 37.71816 
1 1 1    4    8   45 o   62.215   26.346   3.0924   7.3414   5.2860   9.7607   0.2349   11.140   71.523   30.338   66.425   30.085 5.097923 42.72606 
1 1 1    4    8   46 o  178.035   22.978   48.142   10.349   60.104   12.424   21.020   18.707  196.615   24.956   98.932   41.984 97.68317 48.84151 
1 1 1    4    8   47 o   52.083   25.011  -8.1834   9.8001 -19.8400   20.717  -4.8229   11.123   65.965   32.647   58.839   27.794 7.126472 42.87551 
1 1 1    4    8   48 o  101.682   32.256   19.920   9.5386   20.619   11.215   18.090   18.134   99.636   35.039   89.310   39.558 10.32657 52.84520 
1 1 1    4    9    0 o  659.032   9.5660  563.070   16.330  562.459   23.070  563.683   23.118  658.349   13.528  659.064   13.542 -0.7147217 19.14145 
1 1 1    4    9    1 o  310.820   12.446  125.335   10.021  125.335   10.021   0.0000   0.0000  310.820   12.446  ?   ?  0.000000 12.44629 
1 1 1    4    9    2 o  181.910   10.389   43.050   4.8751   38.513   6.8474   47.713   6.9425  171.508   15.583  191.205   14.117 -19.69685 21.02687 
1 1 1    4    9    3 o  247.264   9.2976   79.265   5.9550   83.820   8.5011   74.877   8.3443  253.817   12.974  239.811   13.488 14.00600 18.71444 
1 1 1    4    9    4 o  506.184   8.9856  332.181   11.782  334.791   16.785  329.646   16.541  507.909   12.758  503.999   12.670 3.910248 17.98077 
1 1 1    4    9    5 o  310.387   10.600  124.966   8.5223  133.200   15.132  121.141   10.314  319.440   18.365  305.480   13.034 13.96033 22.52003 
1 1 1    4    9    6 o   70.094   25.453   5.2803   5.9688   10.790   8.3021  -0.6148   8.5876   92.339   30.167   65.372   28.111 26.96679 41.23465 
1 1 1    4    9    7 o  338.922   10.738  149.080   9.4273  146.413   11.447  154.700   16.619  335.703   13.164  344.026   18.720 -8.323486 22.88539 
1 1 1    4    9    8 o  287.342   11.015  107.220   8.1982  111.432   10.235   99.680   13.693  292.738   13.498  275.641   19.300 17.09717 23.55194 
1 1 1    4    9    9 o  256.748   11.701   85.683   7.7815   88.876   9.8288   80.320   12.738  260.825   14.607  246.933   20.088 13.89259 24.83738 
1 1 1    4    9   10 o  368.450   9.5485  176.297   9.1131  180.646   13.048  172.155   12.734  372.465   13.524  363.606   13.520 8.858276 19.12280 
1 1 1    4    9   11 o  315.869   9.4843  129.569   7.7600  136.400   16.175  127.527   8.8442  322.132   19.476  313.235   10.900 8.897034 22.31931 
1 1 1    4    9   12 o  165.005   12.248   35.598   5.1977   35.080   11.343   35.735   5.8477  160.628   28.296  165.116   13.799 -4.488068 31.48150 
1 1 1    4    9   13 o  149.313   14.122   29.254   5.3971   22.580   11.358   31.200   6.1338  128.172   33.747  154.032   15.588 -25.86005 37.17301 
1 1 1    4    9   14 o  386.022   9.7019  193.302   9.7011  193.000   20.067  193.394   11.082  384.177   20.237  386.021   11.083 -1.843353 23.07294 
1 1 1    4    9   15 o  715.891   11.840  664.986   21.956  648.800   38.145  673.005   26.849  705.761   20.865  719.878   14.399 -14.11700 25.35123 
1 1 1    4    9   16 o  1081.30   12.420  1516.85   34.787  1500.05   48.807  1534.19   49.596  1074.40   17.538  1086.54   17.622 -12.13953 24.86146 
1 1 1    4    9   17 o  577.535   20.495  433.800   30.660  433.800   30.660   0.0000   0.0000  577.535   20.495  ?   ?  0.000000 20.49460 
1 1 1    4    9   18 o  649.719   11.725  547.451   19.734  549.111   24.383  544.300   33.598  650.479   14.471  647.026   20.046 3.452820 24.72382 
1 1 1    4    9   19 o  218.339   16.472   62.255   9.2472   67.820   14.713   58.622   11.889  226.714   25.496  211.115   22.066 15.59833 33.71912 
1 1 1    4    9   20 o  1151.85   15.060  1722.41   44.933  1718.06   55.149  1731.00   77.499  1149.70   18.518  1152.04   25.970 -2.342285 31.89664 
1 1 1    4    9   21 o  1298.59   14.109  2189.05   47.461  2192.83   67.335  2185.32   66.906  1298.22   20.024  1296.02   19.930 2.197876 28.25143 
1 1 1    4    9   22 o  991.266   12.011  1274.96   30.841  1249.84   43.173  1301.13   44.072  980.555   16.998  1000.47   17.006 -19.91644 24.04439 
1 1 1    4    9   23 o  499.047   10.354  323.043   13.385  316.926   19.022  329.043   18.837  493.901   14.869  503.298   14.449 -9.396820 20.73292 
1 1 1    4    9   24 o   97.325   25.248   12.853   6.4193   32.453   9.7913  -1.9219   8.5012  155.594   25.152   62.664   27.444 92.92953 37.22657 
1 1 1    4    9   25 o  305.067   11.336  120.815   8.9578  123.099   12.578  118.465   12.760  307.191   15.862  301.260   16.413 5.931000 22.82540 
1 1 1    4    9   26 f  130.019   21.510   22.675   6.9909   11.673   10.467   31.537   9.3934   98.167   33.887  153.254   24.487 -55.08707 41.80841 
1 1 1    4    9   27 o  182.419   15.855   43.685   7.4174   39.846   10.566   47.414   10.415  172.539   24.316  189.062   21.658 -16.52299 32.56271 
1 1 1    4    9   28 o  174.500   24.379   40.856   10.719   62.570   19.883   31.960   12.726  212.693   37.457  151.861   33.272 60.83243 50.10025 
1 1 1    4    9   29 o  310.701   13.116  125.798   10.556  132.700   17.940  122.144   13.055  316.629   22.010  305.159   16.577 11.47025 27.55460 
1 1 1    4    9   30 o  369.055   12.891  177.685   12.324  171.731   15.248  188.900   20.928  362.048   16.259  377.533   21.489 -15.48468 26.94686 
1 1 1    4    9   31 o   49.447   22.813  -5.0736   6.8065 -10.1384   10.428  -1.3141   8.9843   58.003   27.247   64.651   28.266 -6.647408 39.26078 
1 1 1    4    9   32 o  328.223   13.600  141.098   11.563  105.400   21.076  156.470   13.830  276.501   29.902  345.075   15.472 -68.57336 33.66819 
1 1 1    4    9   33 o  141.936   18.136   27.081   6.5154   23.573   10.437   29.322   8.3401  128.179   31.629  146.347   22.739 -18.16759 38.95412 
1 1 1    4    9   34 o  147.982   19.641   29.674   7.3426   25.197   10.709   33.646   10.087  131.973   31.720  155.363   25.982 -23.39026 41.00252 
1 1 1    4    9   35 o  111.721   24.378   17.613   6.8564   11.452   9.3731   24.705   10.056   92.554   32.061  130.515   30.323 -37.96160 44.12903 
1 1 1    4    9   36 o   82.512   26.235   9.4294   6.3072   11.108   8.5801   7.4565   9.3032   90.066   30.695   81.726   31.347 8.340088 43.87272 
1 1 1    4    9   37 o  168.943   19.992   39.196   8.5792   36.136   10.621   44.940   14.553  158.678   26.795  172.800   33.723 -14.12193 43.07218 
1 1 1    4    9   38 o  173.126   21.241   41.696   9.3258   31.780   19.541   44.620   10.612  135.529   46.323  177.770   23.632 -42.24107 52.00222 
1 1 1    4    9   39 o  173.832   23.887   43.079   10.472   40.980   14.114   45.650   15.619  161.657   34.739  169.182   36.696 -7.524979 50.53150 
1 1 1    4    9   40 f  171.192   17.967   40.355   7.8483   35.964   10.933   45.023   11.273  155.070   28.259  175.963   25.474 -20.89319 38.04650 
1 1 1    4    9   41 o  332.384   17.053  151.135   14.633   0.0000   0.0000  151.135   14.633  ?   ?   332.384   17.053 0.000000 17.05285 
1 1 1    4    9   42 o  120.365   25.666   21.921   7.7577   18.361   11.075   25.351   10.870  104.776   34.873  123.911   33.197 -19.13525 48.14721 
1 1 1    4    9   43 o  244.758   15.228   82.143   9.6069   89.433   13.908   75.491   13.285  248.375   21.840  226.891   22.919 21.48479 31.65910 
1 1 1    4    9   44 f  107.841   28.930   19.095   8.2486   16.737   12.301   21.022   11.119   96.806   36.291  108.023   34.885 -11.21659 50.33937 
1 1 1    4    9   45 o  229.392   17.120   74.353   10.099   69.121   14.207   79.697   14.360  209.177   26.839  227.673   24.748 -18.49628 36.50750 
1 1 1    4    9   46 o   72.763   30.492   6.7622   9.6685   13.273   12.597  -2.5710   15.083   86.780   35.428   69.287   32.618 17.49307 48.15626 
1 1 1    4    9   47 o   82.547   36.925   10.860   16.205   10.860   16.205   0.0000   0.0000   82.547   36.925  ?   ?  0.000000 36.92523 
1 1 1    4    9   48 o  141.237   29.662   35.490   10.506   20.348   13.262   61.010   17.217   94.441   37.090  167.299   40.225 -72.85787 54.71499 
1 1 1    4   10    0 o  487.530   10.495  308.302   13.253  313.349   16.257  298.300   22.884  491.327   12.774  478.804   18.451 12.52261 22.44122 
1 1 1    4   10    1 o  372.116   12.816  179.750   12.353  164.100   16.991  197.300   17.993  354.627   18.561  389.444   17.836 -34.81702 25.74204 
1 1 1    4   10    2 o  253.635   13.966   83.805   9.1403   83.010   12.923   84.600   12.930  251.661   19.989  254.103   19.800 -2.442200 28.13550 
1 1 1    4   10    3 o  250.100   11.404   81.172   7.3882   89.360   9.0983   65.320   12.660  261.967   13.453  222.655   22.248 39.31276 25.99948 
1 1 1    4   10    4 f  331.278   10.517  142.397   9.0250  132.100   10.699  167.800   16.805  318.926   12.951  358.514   18.155 -39.58847 22.30102 
1 1 1    4   10    5 o  534.598   9.2501  370.737   12.809  378.362   18.232  363.304   18.000  539.645   13.043  528.785   13.142 10.86029 18.51545 
1 1 1    4   10    6 o  108.822   17.244   15.808   4.6986   22.949   6.7950   9.2644   6.5042  130.956   20.721   84.444   26.620 46.51193 33.73401 
1 1 1    4   10    7 o  196.454   11.190   50.304   5.6709   52.736   7.9978   47.845   8.0420  200.592   15.513  190.864   16.426 9.728104 22.59379 
1 1 1    4   10    8 o  262.174   10.366   89.297   7.0395   94.217   10.056   84.570   9.8572  268.520   14.512  254.275   15.033 14.24512 20.89452 
1 1 1    4   10    9 o  398.058   10.653  205.931   10.984  210.017   13.675  198.500   18.441  401.624   13.145  389.499   18.278 12.12488 22.51326 
1 1 1    4   10   10 o   45.478   20.780  -3.6017   5.4636  -8.5649   7.2018   3.1280   8.3861   46.786   22.179   71.853   29.064 -25.06710 36.55957 
1 1 1    4   10   11 o   80.939   22.393   8.8599   4.8536   12.056   7.2661   6.2847   6.5220   94.644   27.804   74.525   26.665 20.11906 38.52389 
1 1 1    4   10   12 o  119.360   17.554   18.965   5.2651   20.080   11.789   18.687   5.8846  121.558   35.332  118.022   19.960 3.536186 40.58024 
1 1 1    4   10   13 o  423.096   11.332  232.370   12.419  264.600   22.789  218.755   14.812  450.485   19.530  410.277   13.937 40.20831 23.99310 
1 1 1    4   10   14 o  349.856   10.077  158.747   9.1321  144.100   18.449  163.501   10.510  331.807   21.583  354.984   11.430 -23.17780 24.42275 
1 1 1    4   10   15 o  472.938   9.8730  290.010   12.095  290.300   24.322  289.915   13.941  472.371   19.878  472.774   11.384 -0.4021912 22.90661 
1 1 1    4   10   16 o  182.112   32.383   44.680   14.716   44.680   14.716   0.0000   0.0000  182.112   32.383  ?   ?  0.000000 32.38274 
1 1 1    4   10   17 o  476.983   11.321  295.035   13.987  285.628   17.185  313.500   24.076  469.151   14.141  491.126   18.925 -21.97574 23.62496 
1 1 1    4   10   18 o  321.190   11.703  133.792   9.7366  136.930   13.996  130.849   13.554  324.279   16.719  316.993   16.564 7.285919 23.53529 
1 1 1    4   10   19 o  388.507   13.734  195.868   13.821  184.300   20.122  206.200   19.016  375.824   20.750  398.310   18.431 -22.48654 27.75394 
1 1 1    4   10   20 o  526.459   9.9906  359.368   13.624  342.411   19.285  376.263   19.250  513.569   14.497  538.417   13.802 -24.84827 20.01666 
1 1 1    4   10   21 o  755.488   10.712  740.279   20.962  746.212   29.916  734.557   29.381  757.956   15.237  752.036   15.083 5.920532 21.43981 
1 1 1    4   10   22 o  645.937   10.317  541.175   17.262  535.441   24.642  546.700   24.188  642.004   14.818  648.775   14.393 -6.770386 20.65758 
1 1 1    4   10   23 o  471.876   10.261  288.857   12.542  281.523   17.582  296.456   17.895  465.462   14.582  477.660   14.464 -12.19772 20.53858 
1 1 1    4   10   24 o  577.411   10.440  432.631   15.615  441.396   22.219  424.077   21.950  582.684   14.721  571.122   14.837 11.56274 20.90123 
1 1 1    4   10   25 o  528.243   14.676  362.946   20.081   0.0000   0.0000  362.946   20.081  ?   ?   528.243   14.676 0.000000 14.67579 
1 1 1    4   10   26 o  246.620   13.035   79.299   8.2974   72.830   12.536   84.343   11.069  235.076   20.802  253.801   16.935 -18.72475 26.82331 
1 1 1    4   10   27 o   57.872   27.328 -11.8925   10.737 -14.6100   17.880 -10.3600   13.427   78.547   36.494   69.050   31.921 9.497574 48.48518 
1 1 1    4   10   28 o   89.837   27.075   10.812   6.8216   1.7987   9.5998   20.005   9.6951   73.079   30.484  120.173   30.956 -47.09372 43.44576 
1 1 1    4   10   29 o  264.310   17.454   91.968   11.883   98.050   16.402   85.250   17.238  271.182   23.585  251.643   26.860 19.53918 35.74536 
1 1 1    4   10   30 f  311.164   11.754  126.242   9.4741  134.913   13.189  116.996   13.619  320.793   15.872  297.785   17.736 23.00815 23.80075 
1 1 1    4   10   31 f  105.901   26.594   15.682   7.2848   15.021   10.616   16.270   10.014  105.041   34.104  108.053   32.858 -3.012115 47.35774 
1 1 1    4   10   32 f  297.483   14.668  116.229   11.302  128.200   23.441  112.602   12.901  304.499   30.114  291.589   17.156 12.91034 34.65856 
1 1 1    4   10   33 o  456.078   12.644  272.577   14.938  258.900   28.801  277.610   17.471  436.033   25.613  459.337   14.684 -23.30469 29.52329 
1 1 1    4   10   34 o  211.101   13.850   58.886   7.5314   60.187   12.150   58.073   9.5976  210.012   22.696  208.234   17.969 1.777954 28.94833 
1 1 1    4   10   35 f   74.934   25.538   7.3229   5.9394   6.6266   7.7687   8.3023   9.2142   76.584   28.815   83.885   31.417 -7.301308 42.63034 
1 1 1    4   10   36 o   74.279   26.725   6.8833   6.5598  -0.0396   8.9835   14.791   9.6011   65.227   28.398  100.830   32.402 -35.60338 43.08506 
1 1 1    4   10   37 o   89.776   33.176   10.663   10.207   6.1650   18.506   12.630   12.236   95.265   41.116   96.638   36.202 -1.372734 54.78259 
1 1 1    4   10   38 o  119.087   23.488   20.379   6.9879   22.140   9.9991   18.698   9.7697  120.076   31.687  110.295   32.194 9.781120 45.17218 
1 1 1    4   10   39 o  175.173   18.792   42.370   8.3936   42.623   11.235   42.050   12.627  170.967   26.205  166.748   30.353 4.218399 40.09965 
1 1 1    4   10   40 o   57.042   24.868   0.1617   6.9092   8.0864   10.132  -6.7270   9.4464   81.723   32.316   55.700   26.091 26.02287 41.53379 
1 1 1    4   10   41 o  113.028   26.786   19.481   7.7224   27.908   11.064   11.478   10.783  131.423   32.648   88.953   33.836 42.46981 47.01900 
1 1 1    4   10   42 o  200.790   16.291   55.601   8.4001   53.978   12.502   56.936   11.341  189.189   26.216  197.924   22.523 -8.734970 34.56253 
1 1 1    4   10   43 o   56.033   24.852  -0.1319   7.1798 -11.0489   9.8524   12.231   10.485   51.129   24.685   87.703   33.363 -36.57480 41.50287 
1 1 1    4   10   44 o   80.282   29.141   10.131   7.8230   4.6386   10.279   17.693   12.061   71.314   30.711   98.095   36.095 -26.78142 47.39213 
1 1 1    4   10   45 o   45.775   21.567  -4.8336   6.6195  -3.8910   9.3314  -5.7886   9.3916   56.006   26.135   53.975   25.509 2.031548 36.52101 
1 1 1    4   10   46 o  122.235   38.893   31.528   13.859   30.280   20.292   32.620   18.974  107.182   44.482  112.446   44.300 -5.264511 62.77855 
1 1 1    4   10   47 o   97.936   32.430   18.487   9.5821   9.0920   15.196   24.688   12.346   78.851   35.477  107.257   36.816 -28.40601 51.12770 
1 1 1    4   10   48 o   57.806   27.090  -1.9410   10.204   11.390   20.296  -6.4502   11.804   80.099   37.747   56.692   27.282 23.40764 46.57396 
1 1 1    4   11    0 o  816.517   10.571  865.337   22.358  865.047   31.676  865.625   31.561  815.493   14.995  815.779   14.936 -0.2860107 21.16480 
1 1 1    4   11    1 o  855.988   10.815  951.161   23.979  945.424   33.814  956.965   34.011  852.420   15.314  857.607   15.310 -5.187866 21.65468 
1 1 1    4   11    2 o  717.538   10.025  668.208   18.633  700.337   27.106  639.422   25.657  733.808   14.260  701.196   14.126 32.61163 20.07236 
1 1 1    4   11    3 o  225.773   10.452   66.177   6.1127   71.693   8.9003   61.251   8.4099  234.261   14.743  216.408   15.097 17.85316 21.10148 
1 1 1    4   11    4 o  591.727   9.5173  454.475   14.588  466.512   20.932  443.108   20.341  598.853   13.494  583.645   13.455 15.20795 19.05558 
1 1 1    4   11    5 o  255.113   10.118   84.522   6.6860   86.862   9.4999   82.225   9.4116  257.885   14.277  250.845   14.547 7.040436 20.38270 
1 1 1    4   11    6 o  288.579   9.8193  108.162   7.3400  110.789   10.446  105.601   10.316  291.658   13.827  284.730   13.987 6.928406 19.66766 
1 1 1    4   11    7 o  126.622   16.750   21.301   5.3590   27.634   7.8312   15.724   7.3493  143.470   21.755  106.944   26.632 36.52543 34.38784 
1 1 1    4   11    8 o  346.663   9.7003  156.107   8.7105  160.383   12.296  151.801   12.341  350.887   13.529  341.306   13.959 9.581299 19.43910 
1 1 1    4   11    9 o  295.390   11.755  113.475   8.9940  114.694   11.144  111.200   15.231  296.653   14.503  290.534   20.368 6.118561 25.00356 
1 1 1    4   11   10 o  207.662   14.512   56.429   7.7568   48.909   9.8420   68.760   12.602  192.305   20.053  228.041   21.592 -35.73552 29.46726 
1 1 1    4   11   11 f  114.961   23.252   17.922   6.6861   16.728   8.6740   19.670   10.495  110.712   29.652  119.944   32.826 -9.231972 44.23539 
1 1 1    4   11   12 o  233.190   13.760   70.903   8.2750   84.180   16.074   66.115   9.6523  252.400   24.910  224.784   16.697 27.61609 29.98837 
1 1 1    4   11   13 o  324.162   10.399  136.302   8.7317  139.800   19.315  135.403   9.7892  326.549   22.981  323.027   11.699 3.522217 25.78742 
1 1 1    4   11   14 o  162.139   20.730   34.769   8.5071   53.800   15.379   26.378   10.212  200.497   30.579  139.460   29.204 61.03697 42.28460 
1 1 1    4   11   15 f  455.783   20.871  270.300   24.640  270.300   24.640   0.0000   0.0000  455.783   20.871  ?   ?  0.000000 20.87081 
1 1 1    4   11   16 o  386.327   12.153  193.589   12.161  165.100   21.931  206.238   14.614  355.208   23.976  398.643   14.153 -43.43494 27.84138 
1 1 1    4   11   17 o  368.526   13.635  176.226   13.016  128.600   23.086  198.421   15.760  312.507   28.845  390.935   15.563 -78.42838 32.77543 
1 1 1    4   11   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11   20 f  247.482   18.820   80.127   11.974   80.127   11.974   0.0000   0.0000  247.482   18.820  ?   ?  0.000000 18.82020 
1 1 1    4   11   21 o  368.670   10.542  176.302   10.068  158.931   14.451  192.685   14.034  349.696   15.953  385.192   14.065 -35.49582 21.26816 
1 1 1    4   11   22 o  258.264   12.802   86.602   8.5640   89.437   12.365   83.988   11.873  261.479   18.373  253.371   18.212 8.108368 25.86929 
1 1 1    4   11   23 o  624.755   10.389  506.450   16.812  511.521   24.175  501.702   23.396  627.270   14.879  621.273   14.538 5.996887 20.80234 
1 1 1    4   11   24 o  271.507   12.640   95.767   8.8897  104.769   12.898   87.622   12.269  283.023   17.682  258.614   18.436 24.40927 25.54514 
1 1 1    4   11   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11   26 o  249.505   16.324   81.519   10.492   83.353   12.749   77.670   18.468  251.685   19.714  240.296   30.347 11.38957 36.18768 
1 1 1    4   11   27 o  397.913   13.112  206.148   13.515  215.300   24.814  202.288   16.115  403.549   23.844  393.704   15.801 9.845367 28.60466 
1 1 1    4   11   28 o   69.321   27.015   4.0750   6.9919   3.7729   9.7732   4.3917   10.007   77.403   31.352   79.380   31.875 -1.977203 44.70965 
1 1 1    4   11   29 o   97.468   31.535   12.613   9.0826   7.7650   12.332   18.360   13.427   91.799   35.848  116.643   38.378 -24.84393 52.51632 
1 1 1    4   11   30 o  309.724   11.905  125.192   9.5512  130.080   13.364  120.089   13.656  314.212   16.477  301.519   17.560 12.69299 24.08022 
1 1 1    4   11   31 o  153.857   19.788   31.884   7.7033   41.485   11.172   23.183   10.636  173.828   25.578  127.329   32.220 46.49896 41.13827 
1 1 1    4   11   32 o   58.508   24.416   1.2821   6.1618   8.3540   8.1478  -8.1660   9.4177   82.949   29.791   56.033   26.184 26.91651 39.66214 
1 1 1    4   11   33 o  312.522   14.424  128.598   11.677  181.000   23.875  112.123   13.387  363.758   25.500  290.031   17.907 73.72662 31.15940 
1 1 1    4   11   34 o   91.362   31.079   11.291   8.7962   36.400   20.483   5.6136   9.7401  150.609   47.202   79.088   31.555 71.52120 56.77786 
1 1 1    4   11   35 o  249.057   13.404   82.079   8.6154   83.688   12.667   80.694   11.753  248.402   19.852  244.514   18.698 3.888046 27.27078 
1 1 1    4   11   36 o  203.050   17.650   55.790   9.1907   56.335   11.273   54.710   15.872  201.759   21.923  191.323   33.232 10.43631 39.81202 
1 1 1    4   11   37 o  196.216   19.389   52.880   9.7256   24.070   20.239   61.531   11.090  121.656   46.336  211.062   20.545 -89.40686 50.68689 
1 1 1    4   11   38 o  230.642   15.797   71.840   9.3805   70.690   15.504   72.505   11.782  219.724   27.867  228.883   20.075 -9.158981 34.34497 
1 1 1    4   11   39 o  125.162   24.634   22.938   7.7022   25.355   11.401   20.907   10.447  125.655   34.139  114.630   33.243 11.02487 47.65047 
1 1 1    4   11   40 o   69.847   27.190   5.6200   7.0768   7.3478   10.181   4.0048   9.8437   79.789   32.111   72.603   30.613 7.185295 44.36537 
1 1 1    4   11   41 o   57.046   24.148   1.6824   6.1637   0.2009   9.0200   2.9803   8.4424   63.175   27.945   66.555   28.222 -3.379494 39.71659 
1 1 1    4   11   42 f   91.562   28.891   13.387   7.6600   10.307   10.670   16.662   11.003   84.305   33.219   98.845   34.709 -14.53973 48.04352 
1 1 1    4   11   43 o   81.779   30.027   10.447   8.3402   12.288   11.771   8.5894   11.819   87.578   34.768   80.787   33.773 6.790352 48.47061 
1 1 1    4   11   44 o  154.585   21.699   35.673   8.4496   31.769   13.111   38.446   11.051  128.647   37.222  153.208   28.905 -24.56145 47.12712 
1 1 1    4   11   45 o   65.147   29.108   1.9058   10.039  -4.6161   12.292   14.970   17.397   62.090   29.295   89.997   39.341 -27.90642 49.05031 
1 1 1    4   11   46 o   62.862   28.616   0.6516   10.239   6.5370   20.237  -1.3732   11.870   80.743   37.939   63.630   29.621 17.11326 48.13239 
1 1 1    4   11   47 o   38.027   19.177 -22.7219   8.8372 -29.0200   13.891 -18.4400   11.454   48.196   24.272   47.828   23.775 0.3681145 33.97612 
1 1 1    4   12    0 o  791.407   10.511  813.737   21.547  816.385   30.528  811.107   30.418  791.445   14.891  788.885   14.885 2.560486 21.05504 
1 1 1    4   12    1 o  927.423   11.345  1118.12   27.253  1095.27   38.019  1142.28   39.087  916.210   16.020  935.618   16.128 -19.40759 22.73204 
1 1 1    4   12    2 o  667.505   14.000  580.427   24.206   0.0000   0.0000  580.427   24.206  ?   ?   667.505   14.000 0.000000 13.99968 
1 1 1    4   12    3 o  237.561   10.448   73.337   6.4293   78.323   9.1253   68.422   9.0599  244.711   14.460  228.510   15.396 16.20175 21.12183 
1 1 1    4   12    4 o   44.485   19.606  -1.2396   4.4004   4.6138   6.2905  -6.8485   6.1578   68.673   25.910   43.947   20.735 24.72590 33.18538 
1 1 1    4   12    5 o  446.250   9.3828  258.652   10.846  267.131   15.552  250.624   15.133  452.862   13.258  438.635   13.319 14.22702 18.79278 
1 1 1    4   12    6 o  139.735   15.841   25.813   5.6326   25.839   7.9960   25.788   7.9358  138.280   23.141  138.179   22.979 0.1013794 32.61186 
1 1 1    4   12    7 o  135.967   16.240   24.473   5.6064   33.286   8.1485   16.551   7.7257  158.048   20.379  109.674   27.301 48.37413 34.06844 
1 1 1    4   12    8 o  700.903   10.247  638.145   18.604  647.292   26.600  629.386   26.030  704.847   14.569  695.061   14.458 9.786194 20.52522 
1 1 1    4   12    9 o   64.869   24.395   4.0972   5.5669   9.0080   8.0263  -0.4552   7.7278   86.238   29.680   62.044   26.673 24.19378 39.90434 
1 1 1    4   12   10 o  405.125   11.592  213.148   12.164  216.499   15.354  207.500   19.933  407.981   14.529  398.763   19.298 9.218445 24.15610 
1 1 1    4   12   11 o  624.965   11.739  507.017   19.004  513.609   23.719  495.200   31.759  628.628   14.566  616.326   19.893 12.30219 24.65603 
1 1 1    4   12   12 o  324.232   10.985  136.380   9.2262  136.036   12.977  136.733   13.120  323.558   15.483  324.377   15.614 -0.8185730 21.98976 
1 1 1    4   12   13 f  210.246   21.108   58.121   11.340   73.820   16.931   45.350   15.271  235.988   28.260  183.158   33.420 52.82944 43.76686 
1 1 1    4   12   14 o  146.488   24.826   28.740   9.0839   27.520   15.911   29.330   11.064  142.762   40.918  147.146   30.045 -4.383591 50.76377 
1 1 1    4   12   15 o  943.619   13.705  1155.48   33.500  1142.00   58.118  1162.19   40.995  936.217   23.965  945.901   16.732 -9.683167 29.22812 
1 1 1    4   12   16 o  303.204   12.671  119.264   9.9514  113.700   22.514  120.615   11.094  293.436   30.043  304.858   14.049 -11.42242 33.16594 
1 1 1    4   12   17 o  495.865   15.733  319.296   20.208   0.0000   0.0000  319.296   20.208  ?   ?   495.865   15.733 0.000000 15.73287 
1 1 1    4   12   18 o  118.104   24.270   18.847   7.1765   0.1857   15.546   23.902   8.0902   89.585   38.153  133.357   24.316 -43.77153 45.24272 
1 1 1    4   12   19 o  325.245   12.298  137.265   10.361  128.900   22.435  139.533   11.681  312.737   27.991  327.843   13.755 -15.10559 31.18822 
1 1 1    4   12   20 o  568.098   11.971  418.812   17.616  412.300   32.064  421.627   21.083  562.354   22.012  569.768   14.285 -7.414001 26.24092 
1 1 1    4   12   21 f  582.169   14.922  440.433   22.502  440.433   22.502   0.0000   0.0000  582.169   14.922  ?   ?  0.000000 14.92193 
1 1 1    4   12   22 o  803.225   11.153  837.347   23.205  818.104   32.635  857.024   33.000  793.088   15.886  811.775   15.694 -18.68689 22.33076 
1 1 1    4   12   23 o  463.837   10.693  279.250   12.847  263.827   18.430  293.829   17.918  450.269   15.802  475.352   14.552 -25.08340 21.48183 
1 1 1    4   12   24 o  269.244   12.715   94.216   8.8677   91.817   13.297   96.137   11.901  264.466   19.548  271.078   17.035 -6.612000 25.92938 
1 1 1    4   12   25 o  147.142   19.454   28.782   7.2330   28.743   11.011   28.811   9.5931  144.748   30.337  145.758   26.380 -1.009018 40.20242 
1 1 1    4   12   26 o  292.298   18.527  112.198   13.955   91.790   19.689  132.800   19.782  261.356   29.605  316.611   24.307 -55.25476 38.30468 
1 1 1    4   12   27 o  146.643   20.020   28.740   7.4058   35.267   10.348   21.888   10.604  161.322   25.620  125.385   32.411 35.93752 41.31429 
1 1 1    4   12   28 o  190.158   18.290   47.918   8.8978   43.130   13.759   51.359   11.665  176.539   31.230  195.546   23.501 -19.00682 39.08514 
1 1 1    4   12   29 o  300.915   12.342  118.191   9.6204  135.225   13.804  102.102   13.415  320.429   16.689  277.682   18.761 42.74637 25.10931 
1 1 1    4   12   30 o  340.319   11.676  151.229   10.293  159.970   15.121  143.682   14.050  348.521   16.749  330.410   16.417 18.11124 23.45283 
1 1 1    4   12   31 o  172.077   17.150   39.483   7.5423   41.099   11.009   38.053   10.354  172.799   25.349  166.369   24.782 6.430313 35.45055 
1 1 1    4   12   32 o   87.106   26.721   10.460   6.6038   15.809   9.5216   5.5037   9.1667  105.504   32.030   77.950   30.765 27.55393 44.41219 
1 1 1    4   12   33 o  282.941   12.593  105.118   9.2298  103.290   13.389  106.773   12.741  277.615   18.728  282.886   17.473 -5.271210 25.61362 
1 1 1    4   12   34 o   69.009   28.667   2.6800   8.4394   12.230   20.562   0.7452   9.2549  108.903   44.952   67.846   29.179 41.05775 53.59177 
1 1 1    4   12   35 o   67.801   26.786   4.2718   6.9550   14.218   10.096  -4.7112   9.5948   99.327   33.299   60.086   27.486 39.24125 43.17780 
1 1 1    4   12   36 o   89.111   33.803   10.132   10.743 -21.4200   17.876   27.970   13.441   68.247   33.023  132.585   37.474 -64.33743 49.94827 
1 1 1    4   12   37 o   85.963   27.660   10.697   6.9951   14.072   10.346   7.8537   9.4943   97.314   33.685   81.240   31.530 16.07433 46.13893 
1 1 1    4   12   38 o  131.857   30.067   26.626   10.041   35.340   14.493   18.580   13.926  146.085   37.955  107.783   38.918 38.30185 54.36144 
1 1 1    4   12   39 o  105.709   23.766   16.456   6.3495   19.026   9.1021   14.020   8.8619  110.096   30.740   95.348   31.169 14.74767 43.77705 
1 1 1    4   12   40 o  100.702   26.300   15.482   6.9350   14.661   10.110   16.212   9.5309   96.090   33.297  100.441   32.284 -4.351311 46.37799 
1 1 1    4   12   41 o  140.548   23.623   29.294   8.2953   19.741   11.584   39.347   11.884  106.819   35.670  157.396   30.248 -50.57690 46.76805 
1 1 1    4   12   42 o  143.861   24.491   31.398   8.7996   31.195   12.571   31.593   12.322  132.141   35.827  133.882   35.100 -1.740280 50.15551 
1 1 1    4   12   43 o   47.978   22.429  -4.2689   6.9205 -14.5161   10.891   2.6703   8.9625   50.816   24.852   65.146   28.364 -14.32931 37.71131 
1 1 1    4   12   44 o   49.295   23.136  -4.5372   7.4897 -11.2667   9.4965   6.5370   12.182   48.805   23.721   75.797   33.033 -26.99220 40.66784 
1 1 1    4   12   45 o   50.496   24.668 -12.7126   10.642 -12.1600   13.883 -13.5000   16.572   58.657   28.549   62.855   30.722 -4.198589 41.93914 
1 1 1    4   12   46 o   46.877   22.213  -4.9798   7.2092 -18.4921   10.993   5.2172   9.5495   46.902   23.310   67.900   29.420 -20.99781 37.53548 
1 1 1    4   12   47 o   47.669   23.327 -11.0973   9.6393  -9.7630   11.978 -13.5500   16.239   54.377   26.477   59.642   29.402 -5.264240 39.56695 
1 1 1    4   13    0 o  614.696   9.8133  490.965   15.625  490.567   22.151  491.360   22.044  613.437   13.941  613.955   13.861 -0.5182495 19.65880 
1 1 1    4   13    1 o  392.889   9.4061  200.518   9.5726  221.552   13.963  181.864   13.149  412.413   13.071  373.565   13.589 38.84753 18.85458 
1 1 1    4   13    2 f  437.859   9.4778  249.055   10.750  245.974   15.214  252.126   15.190  434.469   13.519  439.904   13.331 -5.435944 18.98614 
1 1 1    4   13    3 o  184.898   17.332   45.098   8.2040   45.098   8.2040   0.0000   0.0000  184.898   17.332  ?   ?  0.000000 17.33173 
1 1 1    4   13    4 f  126.660   17.010   21.335   5.4396   25.437   7.8826   17.605   7.5160  137.224   22.990  113.168   26.163 24.05584 34.82844 
1 1 1    4   13    5 o  167.961   13.789   36.992   5.9463   38.576   8.4230   35.419   8.3957  170.542   19.413  163.139   20.307 7.402527 28.09352 
1 1 1    4   13    6 o  238.657   11.266   74.031   6.9645   80.200   10.099   68.437   9.6171  247.479   15.837  228.442   16.361 19.03696 22.77035 
1 1 1    4   13    7 o  433.593   9.7622  244.064   10.964  241.195   15.489  246.946   15.523  430.521   13.889  435.642   13.756 -5.121399 19.54833 
1 1 1    4   13    8 o  241.249   11.984   75.611   7.4891   82.292   11.016   69.871   10.212  250.717   17.065  230.910   17.196 19.80768 24.22606 
1 1 1    4   13    9 o  420.541   14.609  229.943   15.914  229.943   15.914   0.0000   0.0000  420.541   14.609  ?   ?  0.000000 14.60869 
1 1 1    4   13   10 o  658.196   10.337  562.010   17.624  564.463   25.115  559.630   24.739  659.077   14.711  656.273   14.553 2.804199 20.69300 
1 1 1    4   13   11 o  661.230   14.745  567.902   25.256  581.600   36.796  555.700   34.728  668.124   21.261  653.211   20.525 14.91376 29.55175 
1 1 1    4   13   12 o  365.344   15.132  173.339   14.320  176.900   20.587  170.000   19.933  367.925   21.697  360.693   21.431 7.231323 30.49655 
1 1 1    4   13   13 o  798.028   12.998  826.361   26.868  826.391   32.824  826.300   46.775  797.674   15.886  796.477   22.672 1.196045 27.68379 
1 1 1    4   13   14 o  578.400   21.845  435.500   32.729  435.500   32.729   0.0000   0.0000  578.400   21.845  ?   ?  0.000000 21.84535 
1 1 1    4   13   15 o  256.326   14.138   85.535   9.3508   59.250   21.766   91.483   10.355  208.410   41.774  265.019   15.147 -56.60927 44.43552 
1 1 1    4   13   16 o  637.464   15.498  527.689   25.590   0.0000   0.0000  527.689   25.590  ?   ?   637.464   15.498 0.000000 15.49786 
1 1 1    4   13   17 o  567.989   11.977  418.536   17.622  403.900   32.572  424.591   20.952  556.772   22.585  571.893   14.144 -15.12122 26.64838 
1 1 1    4   13   18 o  559.430   10.585  405.913   15.339  388.400   32.214  411.047   17.443  545.816   22.785  562.846   11.964 -17.02991 25.73495 
1 1 1    4   13   19 o  513.837   10.791  342.512   14.363  334.200   29.351  345.129   16.469  506.212   22.384  515.669   12.330 -9.456543 25.55507 
1 1 1    4   13   20 o   55.733   25.275  -4.5665   7.8926   2.0150   18.289  -6.0727   8.7492   99.089   41.751   57.197   26.195 41.89265 49.28839 
1 1 1    4   13   21 o  444.324   11.578  256.276   13.326  226.700   27.323  265.508   15.264  415.326   25.521  452.119   13.034 -36.79272 28.65646 
1 1 1    4   13   22 o  249.163   16.155   81.139   10.371   58.740   21.524   87.910   11.835  206.143   41.742  259.161   17.736 -53.01814 45.35334 
1 1 1    4   13   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   13   24 o  180.126   16.881   42.678   7.7843   49.621   11.448   36.707   10.616  193.102   23.362  165.174   25.645 27.92862 34.69095 
1 1 1    4   13   25 o  534.403   15.451  372.392   21.388  356.100   31.831  385.800   28.878  520.239   23.621  542.532   20.549 -22.29333 31.30829 
1 1 1    4   13   26 o   72.095   27.362   5.0109   7.0418   3.3996   10.319   6.4151   9.6332   78.442   32.049   82.911   31.875 -4.469223 45.20144 
1 1 1    4   13   27 o  228.731   14.426   68.598   8.5035   73.993   12.284   63.633   11.783  236.225   20.272  218.735   21.057 17.49028 29.22916 
1 1 1    4   13   28 o  144.595   22.556   28.359   8.1726   30.598   10.621   25.110   12.796  148.487   28.652  132.775   36.207 15.71156 46.17235 
1 1 1    4   13   29 o  215.675   14.714   61.273   8.1714   60.448   12.187   61.947   11.014  211.848   22.555  215.367   19.971 -3.518784 30.12557 
1 1 1    4   13   30 o  229.499   14.116   69.373   8.3509   80.841   12.530   60.208   11.201  245.888   19.841  211.681   20.693 34.20699 28.66878 
1 1 1    4   13   31 o  167.773   17.207   37.625   7.3721   44.350   10.558   31.228   10.298  180.171   23.160  149.027   27.696 31.14348 36.10347 
1 1 1    4   13   32 o  117.366   24.295   19.337   7.1426   19.441   10.369   19.243   9.8530  115.534   33.005  115.104   31.928 0.4303818 45.92089 
1 1 1    4   13   33 o  332.659   11.572  145.168   9.9710  139.747   13.976  150.787   14.230  323.764   16.722  336.935   16.304 -13.17072 23.35498 
1 1 1    4   13   34 o   51.062   24.101  -8.1583   8.3341   21.960   21.523 -13.4708   9.0393  122.572   47.500   48.300   23.398 74.27203 52.94990 
1 1 1    4   13   35 o  163.763   30.502   39.679   12.463   53.020   19.237   30.030   16.360  180.545   41.937  135.213   42.154 45.33167 59.46101 
1 1 1    4   13   36 o   59.455   26.312  -1.0017   8.0062   19.760   18.088  -6.0606   8.9285  113.148   43.629   55.316   25.730 57.83247 50.65124 
1 1 1    4   13   37 o  118.253   24.173   20.367   7.1544   16.250   13.624   21.935   8.4068  103.132   38.286  121.049   27.444 -17.91782 47.10585 
1 1 1    4   13   38 o   92.190   28.214   12.851   7.3674   4.1489   8.9247   31.470   13.054   71.084   29.500  138.267   36.070 -67.18230 46.59709 
1 1 1    4   13   39 o   80.973   28.614   9.4475   7.4880   6.0809   10.557   12.856   10.623   77.679   32.148   92.112   33.878 -14.43344 46.70321 
1 1 1    4   13   40 o   77.931   29.014   8.4978   7.8360   8.9941   11.106   8.0057   11.058   83.134   33.509   81.167   33.171 1.967087 47.15069 
1 1 1    4   13   41 o  112.548   27.125   19.965   7.8149   25.422   10.954   14.309   11.153  121.625   33.638   92.917   34.611 28.70848 48.26384 
1 1 1    4   13   42 o   52.529   23.523  -0.7440   6.5958  -4.9436   10.399   2.0822   8.5312   58.455   27.380   63.366   27.629 -4.911144 38.89706 
1 1 1    4   13   43 o  113.904   29.106   21.865   8.6195   23.348   11.873   20.214   12.533  109.991   36.084  101.587   36.883 8.404388 51.59859 
1 1 1    4   13   44 o   57.974   26.919  -2.6265   9.7046  -3.3946   11.887  -1.0910   16.806   62.164   29.166   72.489   34.218 -10.32497 44.96133 
1 1 1    4   13   45 o   97.315   32.766   18.213   9.7756   24.970   20.638   16.259   11.100   97.458   42.719   90.721   34.372 6.737129 54.83062 
1 1 1    4   13   46 o   62.238   27.778   2.6633   9.1151   1.6510   13.748   3.4574   12.176   68.038   31.741   68.020   31.057 0.1798248E-01 44.40788 
1 1 1    4   13   47 o   66.929   28.293   6.6926   8.4427   1.8539   10.992   13.655   13.185   62.749   28.964   79.945   34.604 -17.19568 45.12574 
1 1 1    4   14    0 o  546.563   9.7448  387.994   13.796  378.989   19.352  397.301   19.674  539.409   13.850  552.309   13.752 -12.90015 19.51764 
1 1 1    4   14    1 o  212.373   12.077   58.853   6.6160   57.156   9.5423   60.424   9.1811  208.353   17.853  214.489   16.656 -6.135895 24.41613 
1 1 1    4   14    2 o  181.527   13.259   43.115   6.1913   50.683   8.9848   36.271   8.5436  196.147   17.880  165.176   20.402 30.97124 27.12832 
1 1 1    4   14    3 o   72.752   24.470   6.5375   5.4523   2.3756   7.6272   10.887   7.7972   67.605   27.579   91.440   29.180 -23.83527 40.15100 
1 1 1    4   14    4 o  468.223   9.6693  284.601   11.727  291.694   16.818  277.887   16.362  473.465   13.713  462.131   13.668 11.33417 19.36138 
1 1 1    4   14    5 o  285.425   10.830  105.795   8.0070  106.671   11.584  104.994   11.080  285.758   15.711  283.584   15.138 2.173553 21.81704 
1 1 1    4   14    6 o  426.373   10.023  235.940   11.070  248.543   16.254  225.039   15.117  437.136   14.355  415.994   14.029 21.14258 20.07213 
1 1 1    4   14    7 o  483.623   10.099  303.487   12.651  315.663   18.325  292.399   17.487  492.763   14.356  474.272   14.235 18.49100 20.21700 
1 1 1    4   14    8 f  529.703   11.717  364.193   16.077  407.800   29.331  345.468   19.221  559.310   20.246  515.620   14.391 43.69019 24.83922 
1 1 1    4   14    9 o  234.130   19.323   71.845   11.614   75.750   17.099   68.500   15.824  238.924   28.171  227.189   27.446 11.73517 39.32995 
1 1 1    4   14   10 o  665.778   12.260  575.177   21.143  578.785   26.172  568.400   35.873  667.532   15.136  660.643   20.963 6.888672 25.85598 
1 1 1    4   14   11 o  142.197   20.878   26.875   7.4611   49.260   10.806   6.4755   10.315  193.251   21.977   85.822   32.986 107.4293 39.63680 
1 1 1    4   14   12 o  164.085   28.020   36.139   11.482   36.139   11.482   0.0000   0.0000  164.085   28.020  ?   ?  0.000000 28.02016 
1 1 1    4   14   13 o  544.531   15.710  385.074   22.159  385.074   22.159   0.0000   0.0000  544.531   15.710  ?   ?  0.000000 15.71009 
1 1 1    4   14   14 o  715.028   16.112  664.066   29.842   0.0000   0.0000  664.066   29.842  ?   ?   715.028   16.112 0.000000 16.11213 
1 1 1    4   14   15 o  660.279   15.237  566.146   26.060   0.0000   0.0000  566.146   26.060  ?   ?   660.279   15.237 0.000000 15.23694 
1 1 1    4   14   16 o  293.461   13.187  111.775   10.024  110.100   22.933  112.171   11.145  288.224   31.216  293.907   14.640 -5.682922 34.47881 
1 1 1    4   14   17 o  291.999   12.867  110.670   9.7323  118.300   21.258  108.647   10.947  299.470   27.718  288.852   14.679 10.61783 31.36522 
1 1 1    4   14   18 f  268.664   13.968   93.998   9.6868   81.560   21.442   97.187   10.858  246.578   34.517  273.036   15.415 -26.45728 37.80313 
1 1 1    4   14   19 o  424.161   11.585  233.506   12.728  224.200   27.419  236.062   14.370  413.138   25.750  426.359   13.012 -13.22113 28.85049 
1 1 1    4   14   20 o  510.294   11.311  338.005   14.952  303.200   29.952  349.556   17.255  481.442   24.018  518.774   12.841 -37.33258 27.23520 
1 1 1    4   14   21 o  272.636   14.250   96.907   10.029  109.100   21.123   93.358   11.395  286.572   28.848  267.274   16.541 19.29745 33.25325 
1 1 1    4   14   22 o  405.910   11.764  214.031   12.369  201.500   26.734  217.444   13.952  390.604   26.581  408.980   13.170 -18.37592 29.66473 
1 1 1    4   14   23 o  231.515   15.925   70.174   9.4921   70.680   22.226   70.061   10.498  226.458   39.316  231.041   17.675 -4.582977 43.10586 
1 1 1    4   14   24 o  346.867   18.309  157.728   16.392  175.000   25.843  146.100   21.204  362.684   27.718  332.109   24.828 30.57486 37.21162 
1 1 1    4   14   25 o  237.857   14.284   74.030   8.7602   66.095   13.000   80.631   11.856  222.878   22.840  247.412   18.637 -24.53371 29.47935 
1 1 1    4   14   26 o  255.425   19.992   86.335   13.122   86.335   13.122   0.0000   0.0000  255.425   19.992  ?   ?  0.000000 19.99226 
1 1 1    4   14   27 o  253.500   15.865   84.546   10.365   83.600   15.145   85.380   14.215  249.706   23.699  252.988   21.909 -3.283035 32.27460 
1 1 1    4   14   28 o  132.572   19.516   23.714   6.5014   21.336   8.6995   26.722   9.7846  123.394   27.875  138.283   28.270 -14.88881 39.70193 
1 1 1    4   14   29 o   85.165   27.487   9.6998   6.9037   18.735   10.662   3.1758   9.0596  114.671   33.678   72.998   29.950 41.67277 45.06893 
1 1 1    4   14   30 o  176.256   17.456   41.513   7.8647   52.110   12.072   33.700   10.366  195.016   24.435  155.398   26.716 39.61829 36.20540 
1 1 1    4   14   31 o  342.621   11.346  153.657   10.069  159.902   14.056  147.073   14.432  347.886   15.598  332.722   16.800 15.16409 22.92411 
1 1 1    4   14   32 o  157.380   19.096   33.603   7.6252   38.231   11.188   29.589   10.420  164.468   27.214  143.464   29.036 21.00400 39.79583 
1 1 1    4   14   33 o  515.388   10.800  348.315   14.419  346.384   20.614  350.165   20.175  510.564   15.587  513.693   15.162 -3.128662 21.74493 
1 1 1    4   14   34 o  205.510   15.643   56.641   8.2647   66.447   12.267   48.490   11.184  219.233   21.894  185.955   23.762 33.27858 32.31109 
1 1 1    4   14   35 o   65.352   28.343   0.6517   8.8801   0.2150   15.094   0.8828   10.982   80.745   35.912   71.805   31.326 8.939377 47.65495 
1 1 1    4   14   36 o  119.809   28.626   21.681   8.7625   13.500   19.117   23.857   9.8592  103.049   43.004  124.562   30.743 -21.51387 52.86327 
1 1 1    4   14   37 o  131.752   27.041   25.981   8.9193   35.330   11.742   13.230   13.714  151.205   31.021   96.354   37.755 54.85035 48.86399 
1 1 1    4   14   38 o   72.929   28.111   6.4962   7.5066   6.0423   10.434   6.9834   10.808   77.536   32.014   80.012   32.758 -2.476021 45.80337 
1 1 1    4   14   39 o  112.114   27.332   19.451   7.8655   23.172   11.169   15.789   11.079  117.310   34.474   98.323   34.799 18.98749 48.98387 
1 1 1    4   14   40 o   63.984   25.376   4.5338   6.2648   4.9475   8.8369   4.1159   8.8828   70.643   29.339   69.084   29.102 1.558861 41.32451 
1 1 1    4   14   41 o  263.041   20.282   99.875   13.713   0.0000   0.0000   99.875   13.713  ?   ?   263.041   20.282 0.000000 20.28250 
1 1 1    4   14   42 o   64.834   27.781   3.4400   8.3338   11.254   11.776  -4.3983   11.795   84.046   34.276   61.959   29.065 22.08618 44.94034 
1 1 1    4   14   43 o   97.240   30.405   16.724   8.5042   10.172   11.661   24.167   12.429   80.573   33.603  109.270   36.945 -28.69669 49.94098 
1 1 1    4   14   44 o   98.881   36.318   20.333   12.203   14.970   20.211   23.410   15.308   87.972   40.107  100.735   39.757 -12.76303 56.47323 
1 1 1    4   14   45 o   76.811   30.054   10.216   8.6802   5.4821   12.399   14.766   12.156   71.337   32.076   85.602   34.858 -14.26463 47.37017 
1 1 1    4   14   46 o   81.681   34.082   13.879   12.005   18.430   16.501   8.7630   17.497   86.303   38.005   76.269   35.657 10.03426 52.11309 
1 1 1    4   15    0 o  350.033   15.033  159.459   13.630   0.0000   0.0000  159.459   13.630  ?   ?   350.033   15.033 0.000000 15.03264 
1 1 1    4   15    1 o   71.449   25.680   5.6678   6.0556   3.2153   8.8336   7.8421   8.3175   73.819   29.840   83.681   30.094 -9.861610 42.38021 
1 1 1    4   15    2 o   95.478   25.242   12.388   6.3379   9.4237   9.1193   15.158   8.8148   89.751   31.592  105.946   30.482 -16.19463 43.90025 
1 1 1    4   15    3 o  318.130   15.523  131.689   12.792   0.0000   0.0000  131.689   12.792  ?   ?   318.130   15.523 0.000000 15.52335 
1 1 1    4   15    4 o   71.310   27.485   4.4136   7.1758  -2.7500   12.978   7.5677   8.6118   77.340   33.890   83.780   30.550 -6.439453 45.62679 
1 1 1    4   15    5 o  917.638   13.434  1093.86   31.931  1155.00   57.014  1065.93   38.543  940.072   23.414  905.170   16.439 34.90198 28.60848 
1 1 1    4   15    6 o  565.396   14.421  415.336   21.120  456.200   31.356  381.400   28.574  591.611   20.461  540.951   20.392 50.65967 28.88784 
1 1 1    4   15    7 o  166.829   25.496   37.187   10.668   38.970   16.095   35.790   14.247  168.569   37.794  161.837   35.003 6.731934 51.51318 
1 1 1    4   15    8 o  470.997   12.042  287.852   14.692  295.259   18.319  274.500   24.595  476.789   14.833  459.110   20.682 17.67892 25.45103 
1 1 1    4   15    9 o  242.613   13.384   76.632   8.3788   82.837   11.674   70.040   12.033  251.766   18.021  231.090   20.307 20.67624 27.15018 
1 1 1    4   15   10 o  473.242   10.707  290.449   13.125  302.486   18.974  279.405   18.174  482.623   15.178  463.849   15.126 18.77390 21.42813 
1 1 1    4   15   11 o  534.962   12.434  371.307   17.230  373.879   21.198  366.300   29.576  536.573   15.252  530.409   21.527 6.164185 26.38227 
1 1 1    4   15   12 o  694.434   13.308  625.830   23.938  644.369   29.737  591.700   40.349  704.290   16.300  673.868   23.116 30.42236 28.28498 
1 1 1    4   15   13 o  957.760   25.517  1197.00   63.304  1197.00   63.304   0.0000   0.0000  957.760   25.517  ?   ?  0.000000 25.51661 
1 1 1    4   15   14 o  490.194   16.745  312.267   21.263  312.267   21.263   0.0000   0.0000  490.194   16.745  ?   ?  0.000000 16.74548 
1 1 1    4   15   15 o  1087.40   12.907  1534.71   36.356  1518.00   72.978  1540.23   41.929  1077.88   26.138  1088.97   14.865 -11.08472 30.06910 
1 1 1    4   15   16 o  512.899   12.684  341.469   16.851  354.600   31.340  336.129   19.986  521.306   23.209  508.629   15.170 12.67712 27.72672 
1 1 1    4   15   17 o  450.675   11.512  263.578   13.438  219.400   28.179  276.583   15.289  408.544   26.776  461.552   12.788 -53.00790 29.67348 
1 1 1    4   15   18 o  413.548   11.746  221.999   12.582  195.700   27.748  228.806   14.117  385.280   27.995  419.736   12.984 -34.45602 30.85985 
1 1 1    4   15   19 o  493.705   11.500  316.435   14.707  275.100   29.384  330.251   16.988  457.688   24.879  504.201   13.007 -46.51364 28.07397 
1 1 1    4   15   20 o  309.016   13.640  124.131   10.918  128.900   24.335  122.929   12.217  311.190   30.584  307.366   15.345 3.823792 34.21770 
1 1 1    4   15   21 o  582.247   11.114  440.271   16.762  424.000   35.007  445.111   19.093  568.627   23.767  585.213   12.596 -16.58527 26.89813 
1 1 1    4   15   22 o  190.709   18.254   47.918   8.9073   22.330   17.138   57.389   10.426  130.734   43.374  208.628   19.520 -77.89436 47.56370 
1 1 1    4   15   23 o  458.398   16.517  274.264   19.612  268.900   29.332  278.600   26.374  450.922   25.214  460.604   22.106 -9.682556 33.53203 
1 1 1    4   15   24 o   48.282   23.048 -10.5558   8.0554 -22.5100   19.550  -8.1111   8.8408   76.426   36.320   54.528   25.443 21.89770 44.34500 
1 1 1    4   15   25 o  116.116   28.187   18.700   8.3926 -14.8200   20.965   25.096   9.1584   85.854   39.760  135.014   27.129 -49.15982 48.13305 
1 1 1    4   15   26 o   71.692   30.410   0.9553   9.8071   0.0000   0.0000   0.9553   9.8071  ?   ?    71.692   30.410 0.000000 30.41015 
1 1 1    4   15   27 o   72.498   28.638   4.3365   7.9493   8.4509   10.080  -2.4300   12.927   87.755   32.862   75.916   33.524 11.83887 46.94413 
1 1 1    4   15   28 f  143.105   20.076   27.701   7.2372   19.307   10.701   34.776   9.8248  116.302   33.622  159.114   24.634 -42.81191 41.68017 
1 1 1    4   15   29 o   47.527   21.653  -3.3690   5.8778  -8.2048   8.1458   1.8840   8.4898   50.809   23.935   68.272   28.589 -17.46351 37.28542 
1 1 1    4   15   30 o   82.458   27.950   8.9267   7.1139   29.143   10.983  -5.6861   9.3374  142.260   30.704   58.623   26.927 83.63714 40.83869 
1 1 1    4   15   31 o  109.885   25.479   17.172   7.1113   22.451   10.137   12.056   9.9788  123.809   31.524   94.741   33.066 29.06857 45.68518 
1 1 1    4   15   32 o   69.563   26.110   5.4011   6.3711  -3.3220   8.4280   17.033   9.7323   58.074   26.248  107.620   32.318 -49.54581 41.63374 
1 1 1    4   15   33 o  112.713   25.623   18.354   7.3114   11.164   10.455   25.235   10.228   91.725   33.629  130.101   30.823 -38.37599 45.61774 
1 1 1    4   15   34 o   86.004   34.811   7.7071   12.039   0.1983   19.718   12.170   15.202   89.832   40.416   98.585   39.392 -8.753601 56.43702 
1 1 1    4   15   35 o   50.587   23.242  -3.8409   6.9630 -30.9104   10.357   18.484   9.4058   40.988   20.682  109.396   31.491 -68.40742 37.67530 
1 1 1    4   15   36 o   68.879   29.713   1.9117   9.6554   0.0000   0.0000   1.9117   9.6554  ?   ?    68.879   29.713 0.000000 29.71342 
1 1 1    4   15   37 o  121.764   27.487   22.574   8.4640   17.367   10.868   30.600   13.494  103.616   34.548  134.202   37.413 -30.58657 50.92424 
1 1 1    4   15   38 o   83.003   27.369   10.345   6.8277   2.9647   10.201   16.334   9.1895   70.906   30.565  100.715   31.625 -29.80952 43.98121 
1 1 1    4   15   39 o  144.941   20.672   30.291   7.5413   42.115   11.834   22.205   9.7857  164.028   28.908  115.888   31.688 48.13991 42.89313 
1 1 1    4   15   40 o   95.375   28.740   14.823   7.6868   7.9325   10.602   22.460   11.161   78.559   32.335  112.226   34.790 -33.66726 47.49638 
1 1 1    4   15   41 o   79.400   29.551   9.8932   8.1272   16.144   11.255   3.0830   11.748   94.451   34.850   71.127   31.656 23.32417 47.08085 
1 1 1    4   15   42 o   48.606   23.100  -6.1783   7.9103   1.3455   10.984 -14.2836   11.401   66.269   29.957   51.734   25.328 14.53434 39.22895 
1 1 1    4   15   43 o   81.155   31.552   11.407   9.5202   16.220   12.104   3.6000   15.416   90.639   35.482   74.260   34.286 16.37967 49.34072 
1 1 1    4   15   44 o   79.988   32.082   11.461   10.125   7.4480   17.426   13.505   12.440   78.086   36.192   83.773   34.802 -5.687149 50.21041 
1 1 1    4   15   45 o   91.925   30.730   16.406   8.5983   11.509   11.655   22.254   12.737   78.372   33.192   97.566   36.854 -19.19347 49.59809 
1 1 1    4   15   46 o   47.148   23.045  -9.7555   9.3244  -1.9771   11.361 -25.8100   16.322   58.677   27.827   52.629   26.480 6.047234 38.41296 
1 1 1    4   16    0 o  200.119   17.064   52.477   8.7610   48.597   11.017   59.150   14.449  191.644   22.631  210.835   27.083 -19.19150 35.29354 
1 1 1    4   16    1 o  260.488   14.021   88.400   9.4254   89.092   11.715   87.130   15.871  261.094   17.422  257.126   24.111 3.967712 29.74668 
1 1 1    4   16    2 o  716.144   12.274  665.734   22.769  675.525   28.282  647.700   38.383  720.966   15.144  704.843   21.023 16.12305 25.90976 
1 1 1    4   16    3 o  411.808   20.935  221.600   22.258   0.0000   0.0000  221.600   22.258  ?   ?   411.808   20.935 0.000000 20.93473 
1 1 1    4   16    4 o  550.748   10.301  393.431   14.695  402.521   21.110  384.883   20.469  556.655   14.640  544.336   14.517 12.31921 20.61785 
1 1 1    4   16    5 o  245.874   13.058   78.695   8.2865   68.904   11.767   88.326   11.671  229.183   20.023  260.043   17.427 -30.85953 26.54498 
1 1 1    4   16    6 o  205.910   21.194   55.805   11.143   55.805   11.143   0.0000   0.0000  205.910   21.194  ?   ?  0.000000 21.19430 
1 1 1    4   16    7 o  416.041   10.812  224.503   11.652  229.040   16.564  220.059   16.395  419.925   15.228  411.598   15.377 8.327423 21.64117 
1 1 1    4   16    8 o  352.904   11.595  161.561   10.600  156.674   15.447  165.909   14.571  347.190   17.176  357.378   15.741 -10.18726 23.29797 
1 1 1    4   16    9 o  665.945   10.923  575.191   18.843  597.720   27.303  554.704   26.037  678.371   15.538  653.524   15.381 24.84729 21.86320 
1 1 1    4   16   10 o  806.628   13.624  844.535   28.465  850.512   35.178  833.200   48.447  809.019   16.787  799.495   23.394 9.523987 28.79323 
1 1 1    4   16   11 o  236.319   24.809   73.643   14.960   55.070   19.607   99.520   23.143  201.103   39.047  273.446   33.366 -72.34366 51.36110 
1 1 1    4   16   12 o  549.984   16.577  393.084   23.616  420.900   34.442  368.400   32.445  568.161   23.403  531.523   23.565 36.63867 33.21143 
1 1 1    4   16   13 o  407.125   12.506  215.107   13.188  238.009   19.802  196.851   17.680  427.799   17.870  389.085   17.542 38.71375 25.04116 
1 1 1    4   16   14 o  522.968   13.116  355.058   17.768  346.348   22.274  370.300   29.464  516.140   16.660  533.038   21.340 -16.89819 27.07277 
1 1 1    4   16   15 o  118.099   42.212   16.020   16.340   0.0000   0.0000   16.020   16.340  ?   ?   118.099   42.212 0.000000 42.21201 
1 1 1    4   16   16 o  159.366   20.717   33.663   8.3497   36.330   21.325   33.180   9.0742  162.844   47.573  157.808   22.865 5.035263 52.78291 
1 1 1    4   16   17 o  440.955   11.717  252.426   13.383  270.700   29.866  247.835   14.970  453.945   25.503  436.784   13.232 17.16089 28.73093 
1 1 1    4   16   18 o  254.473   14.954   84.510   9.8135   85.230   22.158   84.334   10.945  251.414   34.972  253.965   16.732 -2.550964 38.76864 
1 1 1    4   16   19 o  153.086   21.110   31.193   8.1483   31.790   22.539   31.103   8.7394  153.993   49.661  152.522   22.822 1.471756 54.65435 
1 1 1    4   16   20 o  221.970   16.954   64.602   9.6746   59.670   22.237   65.753   10.745  206.832   42.912  223.656   18.719 -16.82404 46.81736 
1 1 1    4   16   21 o  188.018   19.498   46.713   9.3578   32.670   22.236   49.735   10.316  154.542   49.273  193.794   20.880 -39.25256 53.51435 
1 1 1    4   16   22 o  219.526   23.406   64.097   13.105   83.000   22.355   54.200   16.175  246.186   36.130  199.184   32.469 47.00226 48.57620 
1 1 1    4   16   23 o  345.556   13.071  155.546   11.700  154.900   22.681  155.780   13.657  341.082   25.864  345.456   15.262 -4.373657 30.03168 
1 1 1    4   16   24 o  200.635   17.841   53.195   9.1753   29.580   21.031   58.746   10.197  145.787   48.033  210.678   18.886 -64.89125 51.61271 
1 1 1    4   16   25 o   67.965   29.403  -0.5723   9.5094   0.0000   0.0000  -0.5723   9.5094  ?   ?    67.965   29.403 0.000000 29.40307 
1 1 1    4   16   26 o  181.605   24.821   44.909   11.370   28.300   22.433   50.650   13.190  141.614   49.569  192.134   27.267 -50.52020 56.57423 
1 1 1    4   16   27 o   68.991   26.531   4.5773   6.6751  -0.1500   18.081   5.3232   7.1825   91.751   40.108   72.522   27.608 19.22919 48.69123 
1 1 1    4   16   28 o  152.703   25.677   32.405   9.7962   23.860   23.348   34.231   10.792  132.042   49.893  156.237   27.680 -24.19450 57.05704 
1 1 1    4   16   29 o  225.296   15.190   67.277   8.8128   99.005   13.454   43.436   11.663  271.742   19.239  176.569   26.303 95.17314 32.58824 
1 1 1    4   16   30 o   50.382   22.618  -2.3430   6.1383   4.4449   8.2442 -10.7871   9.1951   72.524   28.998   51.825   24.707 20.69916 38.09666 
1 1 1    4   16   31 o  180.262   16.912   43.681   7.8042   64.249   12.138   29.184   10.190  216.420   21.955  142.092   28.674 74.32811 36.11419 
1 1 1    4   16   32 o   61.818   25.069   2.8289   6.2565   7.1964   9.7784  -0.1984   8.1410   81.529   31.899   61.927   26.996 19.60247 41.78874 
1 1 1    4   16   33 o  103.126   28.849   15.838   8.0085   16.482   9.9149   14.630   13.584  104.386   32.861  101.618   38.129 2.767418 50.33553 
1 1 1    4   16   34 o   72.013   27.184   6.2223   6.9267   1.5740   18.135   7.0163   7.4950   87.364   39.073   75.334   28.311 12.03010 48.25137 
1 1 1    4   16   35 o   72.427   25.352   7.1202   5.8681  -0.2384   8.9602   12.647   7.7650   63.261   27.924   91.628   29.107 -28.36736 40.33581 
1 1 1    4   16   36 o   72.981   31.395   3.1010   10.718   0.0000   0.0000   3.1010   10.718  ?   ?    72.981   31.395 0.000000 31.39487 
1 1 1    4   16   37 f  106.631   31.159   18.296   9.1471   6.5770   19.481   21.610   10.360   90.908   40.589  114.580   33.069 -23.67178 52.35471 
1 1 1    4   16   38 o   60.971   26.321   1.5452   7.5873  -6.2805   10.937   8.8067   10.535   59.682   27.994   81.590   32.725 -21.90752 43.06453 
1 1 1    4   16   39 o   58.934   25.786   0.9295   7.4893   2.7030   10.451  -0.9429   10.738   69.436   30.419   64.819   29.429 4.617897 42.32447 
1 1 1    4   16   40 o   71.978   28.549   6.9550   7.9298   15.787   11.187  -1.9647   11.242   93.982   34.731   63.757   29.381 30.22500 45.49176 
1 1 1    4   16   41 o   70.728   28.661   6.6947   8.1712   2.7872   11.943   10.133   11.204   70.037   31.487   80.651   33.223 -10.61324 45.77397 
1 1 1    4   16   42 o   84.518   29.239   12.436   7.7946   1.2662   11.080   23.379   10.967   65.487   29.794  109.282   34.579 -43.79576 45.64413 
1 1 1    4   16   43 o   64.644   30.489  -2.1093   13.292   2.6880   19.741  -6.0880   17.978   76.075   36.250   68.256   33.048 7.819260 49.05368 
1 1 1    4   16   44 o   56.808   26.053  -0.2638   8.6968   7.3247   12.571  -7.2287   12.044   72.944   32.584   56.757   27.375 16.18695 42.55723 
1 1 1    4   16   45 o   48.169   23.477  -9.2814   9.4808   9.1420   15.934 -19.3776   11.796   74.712   34.622   47.120   23.534 27.59240 41.86312 
1 1 1    4   17    0 o  508.765   14.702  336.199   19.375   0.0000   0.0000  336.199   19.375  ?   ?   508.765   14.702 0.000000 14.70199 
1 1 1    4   17    1 o  159.939   18.471   33.716   7.5117   39.079   10.722   28.548   10.527  171.265   24.899  145.159   29.011 26.10570 38.23059 
1 1 1    4   17    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   17    3 o  200.894   15.665   52.751   8.0872   45.282   11.437   60.221   11.437  184.690   24.511  214.029   20.897 -29.33890 32.20992 
1 1 1    4   17    4 o  428.382   14.800  238.335   16.422   0.0000   0.0000  238.335   16.422  ?   ?   428.382   14.800 0.000000 14.79956 
1 1 1    4   17    5 o  510.259   10.628  337.688   14.047  375.046   20.719  305.910   19.109  537.380   14.885  485.300   15.201 52.07990 21.27525 
1 1 1    4   17    6 f  398.151   11.134  205.628   11.483  227.989   17.410  188.411   15.277  418.896   16.045  380.847   15.486 38.04929 22.29920 
1 1 1    4   17    7 o  264.158   14.676   90.892   10.002   91.535   14.854   90.359   13.529  264.177   21.905  262.735   20.031 1.442200 29.68284 
1 1 1    4   17    8 o  269.461   18.031   94.834   12.513  101.400   22.321   91.825   15.110  276.350   31.759  264.544   22.257 11.80527 38.78152 
1 1 1    4   17    9 o  878.007   17.293  1002.15   39.329  1024.00   57.391  982.800   54.002  885.733   25.014  867.993   24.018 17.73926 34.67858 
1 1 1    4   17   10 o  652.823   13.561  553.263   22.932  540.987   28.287  576.800   39.168  645.117   16.928  665.152   22.733 -20.03503 28.34344 
1 1 1    4   17   11 o  117.319   29.090   18.734   8.7967   15.041   12.470   22.391   12.411  110.122   37.007  128.531   35.898 -18.40867 51.55769 
1 1 1    4   17   12 o  715.843   11.383  664.885   21.108  688.375   30.763  643.990   29.015  727.679   16.321  703.894   15.913 23.78577 22.79491 
1 1 1    4   17   13 o  420.869   11.918  229.897   12.993  229.904   19.474  229.892   17.444  420.318   17.886  420.506   16.015 -0.1876831 24.00809 
1 1 1    4   17   14 o  414.235   17.034  223.262   18.277   0.0000   0.0000  223.262   18.277  ?   ?   414.235   17.034 0.000000 17.03405 
1 1 1    4   17   15 o  170.414   27.510   39.027   11.730   22.310   15.320   62.710   18.236  129.884   40.841  215.518   33.775 -85.63422 52.99780 
1 1 1    4   17   16 o  484.358   16.680  305.405   20.927  292.700   31.279  315.700   28.156  471.852   25.689  491.503   22.115 -19.65094 33.89693 
1 1 1    4   17   17 o  233.882   15.283   71.477   9.2078   60.590   23.665   73.419   9.9954  208.365   45.150  236.898   16.390 -28.53290 48.03240 
1 1 1    4   17   18 o  440.576   11.677  252.152   13.326  275.800   29.792  246.236   14.900  457.602   25.231  435.194   13.218 22.40765 28.48383 
1 1 1    4   17   19 o  241.578   16.120   76.393   10.029   71.470   24.821   77.353   10.964  226.258   43.936  242.865   17.547 -16.60733 47.30982 
1 1 1    4   17   20 o  182.552   24.634   44.618   11.351   41.530   19.036   46.322   14.140  171.599   42.933  184.516   30.660 -12.91721 52.75653 
1 1 1    4   17   21 o  258.218   24.040   88.597   15.894   90.960   25.845   87.160   20.157  256.101   40.290  253.900   31.312 2.200516 51.02688 
1 1 1    4   17   22 o  147.754   25.202   29.657   9.2993   42.230   22.773   27.140   10.187  170.962   48.937  140.286   28.993 30.67662 56.88136 
1 1 1    4   17   23 o  409.282   11.990  218.229   12.712  204.700   27.073  222.055   14.397  390.970   26.896  412.538   13.473 -21.56799 30.08230 
1 1 1    4   17   24 o  219.916   19.847   64.321   11.184   0.0000   0.0000   64.321   11.184  ?   ?   219.916   19.847 0.000000 19.84662 
1 1 1    4   17   25 o   89.228   32.821   9.1835   9.9709   23.570   24.353   6.2860   10.929  135.294   50.996   84.898   33.566 50.39624 61.05086 
1 1 1    4   17   26 o   86.111   30.213   9.3068   8.3366   12.090   21.627   8.8211   9.0348  114.149   46.490   86.091   31.307 28.05785 56.04835 
1 1 1    4   17   27 o  156.421   23.047   33.567   9.0584   64.230   20.763   26.359   10.067  208.031   39.984  135.987   29.433 72.04431 49.64921 
1 1 1    4   17   28 o  134.184   25.268   25.248   8.4604   32.170   21.813   24.022   9.1790  143.594   48.941  129.763   28.120 13.83072 56.44456 
1 1 1    4   17   29 o  218.457   16.189   63.639   9.0957   60.720   24.736   64.095   9.7810  192.276   49.400  218.758   17.405 -26.48213 52.37687 
1 1 1    4   17   30 o   61.731   27.055  -0.7560   8.2751   1.9440   22.831  -1.1643   8.8789   99.745   44.274   63.160   27.843 36.58435 52.30073 
1 1 1    4   17   31 o  113.263   22.806   18.171   6.4594   10.744   8.5847   27.862   9.8067   88.467   30.681  138.228   28.341 -49.76096 41.76740 
1 1 1    4   17   32 o  185.767   20.474   47.695   9.6881   48.115   11.744   46.800   17.142  183.637   25.365  170.367   39.597 13.26952 47.02434 
1 1 1    4   17   33 o  107.137   31.049   17.623   9.1161   15.690   20.371   18.108   10.194  107.497   44.587  107.867   33.217 -0.3700943 55.59975 
1 1 1    4   17   34 o   77.435   27.303   8.2886   6.8140   3.1374   9.4855   13.781   9.7948   70.641   29.933   95.181   32.786 -24.54019 44.39425 
1 1 1    4   17   35 o  137.636   25.418   28.105   8.7280   42.690   15.003   20.643   10.731  159.926   36.958  112.367   33.978 47.55895 50.20390 
1 1 1    4   17   36 o   53.607   24.543  -3.1499   7.6715  -7.1767   9.4238   4.7610   13.209   54.511   25.698   79.760   34.579 -25.24878 43.08306 
1 1 1    4   17   37 o   84.289   32.194   10.399   9.7871 -11.5900   19.364   17.944   11.343   73.727   35.339  102.553   35.284 -28.82586 49.93798 
1 1 1    4   17   38 o   45.731   22.232 -11.4213   8.3554 -15.7600   13.998  -9.0201   10.414   58.861   28.652   54.789   26.168 4.071190 38.80390 
1 1 1    4   17   39 o   74.150   28.815   7.7927   7.9379   7.5738   11.601   7.9854   10.885   78.164   33.111   78.035   32.498 0.1298828 46.39427 
1 1 1    4   17   40 o   47.650   22.548  -5.5038   7.3786  -6.1732   11.602  -5.0492   9.5615   59.239   28.102   55.135   25.960 4.103931 38.25738 
1 1 1    4   17   41 o   53.534   24.214  -0.6137   7.1890   7.1167   9.9075  -9.2097   10.447   72.747   30.695   52.764   25.461 19.98286 39.88060 
1 1 1    4   17   42 o  102.412   34.635   21.398   10.924   30.075   13.430   4.4410   18.776  116.503   38.385   76.691   36.191 39.81228 52.75559 
1 1 1    4   17   43 o   60.335   27.846  -0.0084   10.154 -18.9700   19.546   7.0007   11.884   62.097   30.898   72.098   31.975 -10.00103 44.46452 
1 1 1    4   17   44 o   42.169   20.607  -9.3126   7.4457  -9.6949   9.7124  -8.7676   11.596   48.562   23.689   53.717   26.132 -5.154381 35.27122 
1 1 1    4   17   45 o   66.281   29.429   6.3955   10.095   6.6733   12.437   5.8590   17.283   68.316   31.267   70.282   33.608 -1.966263 45.90318 
1 1 1    4   18    0 o  524.963   16.007  358.109   21.767  364.600   30.882  351.700   30.686  528.840   22.544  519.360   22.810 9.480103 32.07027 
1 1 1    4   18    1 o  484.453   16.028  304.973   20.113  306.800   29.568  303.400   27.440  484.975   23.537  482.503   21.955 2.472137 32.18694 
1 1 1    4   18    2 o  774.263   16.364  779.098   32.819  823.100   47.847  740.000   45.102  794.437   23.251  753.298   23.114 41.13934 32.78517 
1 1 1    4   18    3 o  561.407   15.626  409.484   22.723  385.200   32.192  433.600   32.080  543.535   22.865  576.901   21.467 -33.36554 31.36322 
1 1 1    4   18    4 o  395.273   18.443  203.240   18.884  186.600   26.698  219.900   26.713  376.762   27.547  409.607   25.301 -32.84506 37.40320 
1 1 1    4   18    5 o  781.731   16.614  794.291   33.642  848.500   49.628  748.200   45.762  806.471   23.757  757.405   23.325 49.06580 33.29343 
1 1 1    4   18    6 o  550.331   17.304  393.785   24.667  379.500   35.514  407.100   34.286  539.042   25.435  558.608   23.695 -19.56610 34.76188 
1 1 1    4   18    7 o  576.535   13.688  431.568   20.442  440.704   25.083  413.500   35.274  582.262   16.631  562.858   24.194 19.40399 29.35857 
1 1 1    4   18    8 o  296.766   31.232  116.800   23.648   0.0000   0.0000  116.800   23.648  ?   ?   296.766   31.232 0.000000 31.23208 
1 1 1    4   18    9 o  430.991   14.224  241.267   15.880  246.339   19.951  232.500   26.230  435.157   17.700  421.286   24.137 13.87134 29.93119 
1 1 1    4   18   10 f  777.973   11.445  785.395   23.064  823.527   33.674  751.699   31.655  795.838   16.335  760.388   16.071 35.45050 22.91548 
1 1 1    4   18   11 o  678.376   11.298  597.202   19.853  639.248   29.629  562.941   26.746  701.098   16.315  658.025   15.691 43.07257 22.63627 
1 1 1    4   18   12 o   83.332   31.467   6.6852   9.2831  -0.5957   14.109   12.244   12.328   84.000   36.074  103.149   36.686 -19.14883 51.45097 
1 1 1    4   18   13 o  355.419   13.496  164.127   12.425  157.100   18.046  170.460   17.132  346.473   20.196  361.266   18.369 -14.79346 27.29955 
1 1 1    4   18   14 o  589.349   11.729  450.999   17.905  472.252   26.687  433.599   24.147  602.209   17.108  577.209   16.150 25.00098 23.52665 
1 1 1    4   18   15 o  567.753   11.963  418.680   17.593  435.080   25.673  404.160   24.156  577.895   17.151  557.058   16.741 20.83636 23.96671 
1 1 1    4   18   16 f  457.272   14.481  272.044   17.153  309.130   22.662  222.300   26.246  486.850   17.970  410.852   24.778 75.99887 30.60805 
1 1 1    4   18   17 o  265.482   37.725   96.020   25.213   96.020   25.213   0.0000   0.0000  265.482   37.725  ?   ?  0.000000 37.72466 
1 1 1    4   18   18 o  336.890   13.317  147.669   11.621  140.500   26.016  149.457   12.990  323.845   31.408  338.740   14.804 -14.89529 34.72202 
1 1 1    4   18   19 o  238.478   25.769   75.886   15.665   49.320   24.792   93.540   20.211  185.271   50.346  263.741   30.124 -78.46979 58.67012 
1 1 1    4   18   20 o  320.273   14.453  133.751   11.990  121.300   25.558  137.265   13.577  298.940   33.587  324.178   16.168 -25.23849 37.27573 
1 1 1    4   18   21 o  289.608   14.624  109.762   10.935  105.900   26.166  110.579   12.037  276.727   37.467  290.378   16.065 -13.65115 40.76560 
1 1 1    4   18   22 o  210.390   20.297   58.854   10.924   60.750   25.119   58.411   12.131  202.957   48.451  208.891   22.790 -5.934418 53.54339 
1 1 1    4   18   23 o   74.724   30.415   3.4839   9.2497   0.0000   0.0000   3.4839   9.2497  ?   ?    74.724   30.415 0.000000 30.41481 
1 1 1    4   18   24 f   82.468   32.913   5.5551   10.600   0.0000   0.0000   5.5551   10.600  ?   ?    82.468   32.913 0.000000 32.91322 
1 1 1    4   18   25 o  135.374   25.947   25.552   8.7674   40.360   23.450   23.146   9.4529  160.945   50.517  127.688   29.213 33.25700 58.35535 
1 1 1    4   18   26 o  135.758   22.791   25.419   7.7305   34.690   24.070   24.353   8.1629  149.167   51.395  132.137   24.759 17.02975 57.04728 
1 1 1    4   18   27 o  270.780   14.290   96.887   9.9873  138.900   25.667   89.391   10.842  312.652   32.151  259.320   16.222 53.33234 36.01164 
1 1 1    4   18   28 o  101.855   29.846   14.948   8.3819   24.800   19.297   12.657   9.3056  128.198   45.867   95.508   31.969 32.68984 55.90896 
1 1 1    4   18   29 o  146.704   23.828   30.167   8.7441   40.310   22.804   28.419   9.4678  153.990   49.982  140.891   26.924 13.09937 56.77229 
1 1 1    4   18   30 o  198.506   16.795   53.098   8.5546   97.460   24.557   46.971   9.1263  250.899   39.056  185.480   19.277 65.41882 43.55465 
1 1 1    4   18   31 o  214.654   20.594   63.599   11.310   46.940   23.557   68.589   12.893  159.602   50.698  221.479   22.799 -61.87750 55.58834 
1 1 1    4   18   32 o   85.034   29.390   10.269   7.8740   2.2130   15.605   13.020   9.1202   83.449   36.842   93.682   31.648 -10.23297 48.56892 
1 1 1    4   18   33 o  149.150   17.940   30.776   6.7919   26.777   9.7049   34.615   9.5085  132.452   29.083  154.235   24.628 -21.78333 38.11029 
1 1 1    4   18   34 o  133.460   21.859   25.644   7.2950   22.301   11.776   27.726   9.2929  115.458   35.726  135.171   27.477 -19.71300 45.07073 
1 1 1    4   18   35 o  135.946   27.890   28.446   9.4918   24.430   12.766   33.410   14.194  118.377   37.292  137.810   38.355 -19.43314 53.49535 
1 1 1    4   18   36 o  162.986   20.392   38.063   8.4208   24.019   12.376   50.169   11.490  116.447   36.722  183.400   24.825 -66.95303 44.32564 
1 1 1    4   18   37 o   73.664   27.321   7.7052   6.9349   11.965   9.7909   3.4170   9.8239   86.870   32.415   69.366   29.947 17.50438 44.13108 
1 1 1    4   18   38 o  101.420   32.302   17.995   9.5585   5.7020   21.096   21.171   10.722   85.905   39.818  108.231   34.185 -22.32594 52.47964 
1 1 1    4   18   39 o  147.569   23.782   33.639   8.7816   33.618   12.919   33.657   11.973  132.443   36.490  135.971   34.065 -3.528152 49.91969 
1 1 1    4   18   40 o  152.703   23.232   36.271   8.8998   38.852   13.106   34.062   12.123  142.120   35.660  133.874   34.681 8.246140 49.74369 
1 1 1    4   18   41 o  139.948   26.158   32.400   9.1338   32.753   13.659   32.114   12.284  121.866   38.593  125.578   35.942 -3.711792 52.73713 
1 1 1    4   18   42 f   59.683   27.525  -0.1016   9.8944 -38.1000   18.128   16.021   11.808   52.535   26.607   87.053   34.740 -34.51777 43.75864 
1 1 1    4   18   43 o   80.064   30.670   12.532   8.8983   17.148   13.066   8.5405   12.152   85.886   35.673   72.831   32.315 13.05541 48.13319 
1 1 1    4   18   44 o   70.478   30.185   8.8903   9.8309   13.480   17.277   6.6927   11.955   76.984   35.803   68.318   31.031 8.666107 47.37904 
1 1 1    4   19    0 o  652.170   16.867  553.038   28.494  553.038   28.494   0.0000   0.0000  652.170   16.867  ?   ?  0.000000 16.86691 
1 1 1    4   19    1 o  651.527   11.545  550.794   19.483  553.683   27.837  548.021   27.278  652.609   16.467  649.300   16.219 3.309204 23.11351 
1 1 1    4   19    2 o  592.505   11.708  455.549   17.969  454.352   25.836  456.670   25.007  591.118   16.874  592.704   16.288 -1.586060 23.45248 
1 1 1    4   19    3 o  739.524   16.427  711.005   31.467   0.0000   0.0000  711.005   31.467  ?   ?   739.524   16.427 0.000000 16.42705 
1 1 1    4   19    4 o  774.998   16.698  780.993   33.520  780.993   33.520   0.0000   0.0000  774.998   16.698  ?   ?  0.000000 16.69765 
1 1 1    4   19    5 o  916.369   12.153  1089.92   28.846  1135.17   42.360  1050.79   39.391  934.122   17.507  898.863   16.918 35.25958 24.34565 
1 1 1    4   19    6 o  790.228   16.425  812.028   33.621   0.0000   0.0000  812.028   33.621  ?   ?   790.228   16.425 0.000000 16.42510 
1 1 1    4   19    7 o  156.987   29.663   33.378   11.620   14.319   14.291   70.560   19.961  111.223   39.506  228.846   34.768 -117.6234 52.62664 
1 1 1    4   19    8 o  214.143   21.766   60.443   11.906   51.341   14.865   76.730   19.884  195.469   30.343  239.212   32.966 -43.74249 44.80435 
1 1 1    4   19    9 o  531.131   11.427  366.155   15.720  367.040   22.439  365.301   22.031  531.178   16.308  529.955   16.049 1.223389 22.88076 
1 1 1    4   19   10 o  368.684   13.195  176.579   12.601  181.445   18.605  172.456   17.127  372.592   19.344  363.862   18.172 8.729858 26.54044 
1 1 1    4   19   11 o  326.237   14.145  138.348   11.953  153.216   17.628  125.692   16.263  342.129   19.978  309.694   20.387 32.43466 28.54393 
1 1 1    4   19   12 o  485.579   12.006  306.231   15.101  311.039   21.886  301.862   20.862  488.648   17.291  481.473   16.728 7.174255 24.05792 
1 1 1    4   19   13 o  268.372   16.658   94.169   11.523   91.905   16.673   96.238   15.942  263.622   24.705  270.178   22.998 -6.556763 33.75278 
1 1 1    4   19   14 o   71.510   30.134   0.9148   9.5282   12.421   14.411  -8.0217   12.700  106.955   39.440   69.421   31.705 37.53452 50.60413 
1 1 1    4   19   15 o  252.362   17.586   83.485   11.424   82.130   17.498   84.492   15.082  248.109   27.700  252.756   23.298 -4.646973 36.19497 
1 1 1    4   19   16 o  388.813   15.181  196.962   15.290  188.540   20.184  208.300   23.421  378.916   20.642  397.738   22.829 -18.82144 30.77753 
1 1 1    4   19   17 o  233.632   24.387   72.620   14.541   55.120   25.606   80.950   17.666  195.790   50.239  245.737   28.269 -49.94695 57.64641 
1 1 1    4   19   18 o  152.085   34.362   32.212   13.218   21.070   21.216   39.280   16.898  132.075   47.983  166.939   39.664 -34.86441 62.25407 
1 1 1    4   19   19 o   63.119   27.413  -1.0223   8.3305 -10.3000   23.195   0.3517   8.9261   95.552   43.332   67.904   28.914 27.64775 52.09296 
1 1 1    4   19   20 o  418.162   11.950  227.762   12.943  215.100   27.794  231.269   14.626  400.938   26.918  421.059   13.410 -20.12036 30.07384 
1 1 1    4   19   21 o   85.224   31.200   8.2013   8.9949   9.9750   24.225   7.9176   9.6874  118.147   48.781   86.065   32.218 32.08256 58.46008 
1 1 1    4   19   22 o   94.139   30.099   11.904   8.2929   0.0000   0.0000   11.904   8.2929  ?   ?    94.139   30.099 0.000000 30.09893 
1 1 1    4   19   23 o  401.157   14.825  211.282   15.405  232.100   29.302  203.329   18.110  412.875   27.557  392.358   17.819 20.51746 32.81628 
1 1 1    4   19   24 o   67.455   27.188   3.2593   7.3105 -21.9100   23.453   5.9680   7.6938   83.998   39.878   75.431   28.608 8.566971 49.07814 
1 1 1    4   19   25 o   52.304   24.558  -7.9308   8.4534 -18.6000   25.120  -6.5682   8.9770   89.062   41.978   56.111   25.996 32.95126 49.37540 
1 1 1    4   19   26 o  131.645   25.856   24.480   8.5023   0.5572   25.468   27.481   9.0198  104.346   46.512  139.661   25.886 -35.31424 53.22996 
1 1 1    4   19   27 o   82.157   28.505   8.8510   7.4105   3.0990   24.057   9.4540   7.7893  103.516   45.721   84.507   29.230 19.00843 54.26576 
1 1 1    4   19   28 o  155.627   22.643   33.691   8.8602   18.120   22.837   36.450   9.6132  118.126   47.898  161.478   23.687 -43.35184 53.43484 
1 1 1    4   19   29 o  101.701   27.074   15.117   7.2584 -12.0800   17.819   20.527   7.9476   75.463   35.503  118.864   26.490 -43.40163 44.29654 
1 1 1    4   19   30 o   89.572   29.530   11.578   7.9486   34.550   21.198   7.8203   8.5741  139.205   48.216   79.891   30.224 59.31469 56.90546 
1 1 1    4   19   31 o   66.084   30.519  -5.5621   12.226   17.800   20.515 -18.4300   15.225  110.022   45.097   62.772   30.398 47.24995 54.38528 
1 1 1    4   19   32 o   47.762   22.031  -3.7703   6.3426   14.420   19.438  -5.9377   6.7098  102.699   43.146   46.193   21.749 56.50606 48.31723 
1 1 1    4   19   33 o  117.417   26.023   20.806   7.7069   32.720   18.261   18.224   8.5011  130.684   44.778  107.723   29.568 22.96052 53.65991 
1 1 1    4   19   34 f  128.085   36.011   28.180   12.446   0.0000   0.0000   28.180   12.446  ?   ?   128.085   36.011 0.000000 36.01059 
1 1 1    4   19   35 o  158.736   24.584   37.682   9.7813   3.7440   19.441   49.185   11.318   86.069   39.277  181.510   24.716 -95.44183 46.40613 
1 1 1    4   19   36 o   97.714   27.172   15.218   7.1270   10.377   9.4912   21.478   10.792   82.827   31.687  110.588   34.198 -27.76079 46.62170 
1 1 1    4   19   37 o   57.517   25.544   0.2608   7.6099  -1.8939   11.167   2.1292   10.399   63.794   29.355   67.518   29.928 -3.724129 41.92152 
1 1 1    4   19   38 o  116.191   32.155   24.151   10.006   3.9740   20.151   30.753   11.527   81.240   38.071  129.723   33.922 -48.48316 50.99105 
1 1 1    4   19   39 o   64.110   27.920   3.4076   8.6884   6.4190   19.546   2.6660   9.6993   80.526   37.660   64.838   28.815 15.68783 47.41861 
1 1 1    4   19   40 o   62.478   26.692   4.0420   7.6519   4.5735   11.765   3.6523   10.074   69.682   31.296   65.980   29.342 3.702126 42.89935 
1 1 1    4   19   41 o   79.411   33.365   11.912   11.626  -0.6392   14.829   31.930   18.727   66.872   31.736  103.410   42.809 -36.53748 53.28992 
1 1 1    4   19   42 o   56.360   25.941  -0.0738   8.7285  -6.7100   12.972   5.4169   11.799   57.999   28.080   68.348   30.959 -10.34853 41.79607 
1 1 1    4   19   43 o   56.254   25.346   1.8271   7.7880   11.776   10.918  -8.4783   11.112   75.606   32.079   52.030   25.371 23.57555 40.89971 
1 1 1    4   19   44 o   63.927   28.951   5.6909   10.313   26.234   13.200 -26.4900   16.522   95.189   37.112   50.962   25.763 44.22687 45.17814 
1 1 1    4   20    0 o  533.313   11.510  369.162   15.900  352.394   22.099  387.159   22.894  520.487   16.391  545.585   16.200 -25.09802 23.04600 
1 1 1    4   20    1 o  567.334   11.510  417.766   16.915  422.917   24.510  413.082   23.373  570.160   16.596  563.579   16.011 6.581543 23.06000 
1 1 1    4   20    2 o  252.907   15.779   83.498   10.285   91.697   15.485   77.025   13.758  263.989   22.871  241.898   22.206 22.09045 31.87715 
1 1 1    4   20    3 o  769.722   11.511  769.027   22.950  785.963   32.998  753.159   31.941  777.276   16.389  760.920   16.206 16.35565 23.04835 
1 1 1    4   20    4 o  438.670   12.031  249.836   13.670  257.660   19.760  242.653   18.932  444.928   17.145  431.804   16.926 13.12399 24.09273 
1 1 1    4   20    5 o  564.394   16.137  414.408   23.591   0.0000   0.0000  414.408   23.591  ?   ?   564.394   16.137 0.000000 16.13695 
1 1 1    4   20    6 o  172.156   25.559   39.643   11.052   42.108   13.686   35.020   18.738  176.331   31.100  159.227   43.979 17.10327 53.86384 
1 1 1    4   20    7 o  518.805   13.444  349.750   18.066  363.657   22.595  325.100   30.082  528.578   16.502  498.550   23.295 30.02826 28.54761 
1 1 1    4   20    8 o  456.353   12.219  270.489   14.445  273.667   20.836  267.548   20.043  458.340   17.550  453.257   17.071 5.082153 24.48296 
1 1 1    4   20    9 o  692.310   11.552  622.392   20.716  614.109   29.676  630.266   28.931  686.710   16.683  695.826   16.052 -9.116089 23.15141 
1 1 1    4   20   10 o  261.488   17.229   89.481   11.604  100.916   17.239   80.005   15.692  276.424   24.323  245.737   25.001 30.68690 34.88097 
1 1 1    4   20   11 o   94.135   33.361   10.306   10.186   20.104   15.151   2.2258   13.758  124.340   40.760   86.974   36.405 37.36631 54.65073 
1 1 1    4   20   12 o  607.029   17.006  480.435   26.740  480.435   26.740   0.0000   0.0000  607.029   17.006  ?   ?  0.000000 17.00620 
1 1 1    4   20   13 f  508.795   12.228  336.517   16.115  322.484   23.042  349.954   22.547  497.029   17.898  518.007   16.803 -20.97824 24.54952 
1 1 1    4   20   14 o  555.283   12.111  400.899   17.420  410.009   25.374  392.778   23.958  560.382   17.480  548.635   16.858 11.74756 24.28501 
1 1 1    4   20   15 o  257.438   20.048   87.329   13.263   82.640   25.129   89.140   15.616  243.843   41.255  259.290   23.505 -15.44650 47.48158 
1 1 1    4   20   16 o  555.556   16.534  403.162   23.794  423.200   35.796  387.300   31.849  566.369   24.400  542.496   22.664 23.87305 33.30189 
1 1 1    4   20   17 o  339.209   17.174  150.919   15.041  164.605   20.049  133.300   22.748  352.891   22.044  315.370   28.142 37.52078 35.74777 
1 1 1    4   20   18 o  240.701   26.404   77.901   16.192   59.770   26.118   89.220   20.636  201.507   50.218  255.763   31.838 -54.25587 59.46046 
1 1 1    4   20   19 o  136.979   24.676   25.652   8.4336   67.030   24.062   19.857   9.0048  215.035   44.659  119.303   29.342 95.73206 53.43582 
1 1 1    4   20   20 o  312.957   14.371  128.170   11.650   96.500   27.592  135.040   12.851  258.871   42.633  320.976   15.457 -62.10458 45.34848 
1 1 1    4   20   21 o  323.058   18.826  138.397   15.686   0.0000   0.0000  138.397   15.686  ?   ?   323.058   18.826 0.000000 18.82589 
1 1 1    4   20   22 o  115.913   31.851   19.193   9.8580   49.720   25.353   13.755   10.700  177.348   51.889  101.274   34.279 76.07439 62.18958 
1 1 1    4   20   23 o  229.394   16.939   69.992   9.9942   47.990   26.184   73.744   10.813  171.738   53.295  235.144   17.886 -63.40619 56.21598 
1 1 1    4   20   24 o  178.074   20.852   43.100   9.4361   61.070   28.460   40.881   10.002  189.993   54.803  172.527   22.950 17.46611 59.41444 
1 1 1    4   20   25 f  150.612   23.156   31.452   8.7446   62.670   27.055   27.811   9.2406  192.322   52.732  140.099   26.433 52.22308 58.98626 
1 1 1    4   20   26 o  303.805   14.256  122.047   11.219  103.200   28.608  125.472   12.196  255.257   44.907  307.555   15.309 -52.29730 47.44498 
1 1 1    4   20   27 o  157.868   20.104   34.226   8.0343  -5.8170   25.424   38.669   8.4683   96.054   44.234  168.050   19.836 -71.99556 48.47845 
1 1 1    4   20   28 o   67.351   27.278   3.6896   7.3978   10.770   22.846   2.8602   7.8191  106.755   45.877   66.732   27.647 40.02300 53.56335 
1 1 1    4   20   29 o  143.401   32.827   31.657   11.930   53.990   23.210   23.638   13.908  171.796   49.472  120.745   39.019 51.05013 63.00781 
1 1 1    4   20   30 o  212.038   24.697   64.587   13.311   55.690   20.187   71.430   17.705  178.449   43.960  215.616   32.728 -37.16692 54.80544 
1 1 1    4   20   31 f   70.767   26.898   6.1160   6.8112 -28.8200   18.422   11.648   7.3307   63.300   31.227   88.083   28.313 -24.78247 42.15155 
1 1 1    4   20   32 o  112.801   26.776   19.453   7.7067  -5.3040   21.488   23.108   8.2559   83.203   39.094  123.317   26.626 -40.11363 47.29984 
1 1 1    4   20   33 o   70.107   27.482   5.8866   7.2685   0.0000   0.0000   5.8866   7.2685  ?   ?    70.107   27.482 0.000000 27.48189 
1 1 1    4   20   34 o   64.824   26.333   4.2580   6.9165   7.6110   17.370   3.6262   7.5401   87.391   38.712   64.911   27.042 22.47993 47.22123 
1 1 1    4   20   35 o   38.425   18.880 -11.4190   6.5152 -13.4600   19.184 -11.1529   6.9269   70.602   34.173   40.396   19.769 30.20584 39.47979 
1 1 1    4   20   36 o   81.317   26.870   10.527   6.5797   11.930   16.978   10.280   7.1375   88.825   38.846   80.430   27.971 8.394699 47.86810 
1 1 1    4   20   37 o  120.237   29.771   24.751   9.2230   31.210   20.322   23.076   10.350  110.404   45.026  111.953   33.263 -1.548187 55.98018 
1 1 1    4   20   38 o   88.929   31.673   14.569   9.1918  -0.9090   18.585   19.581   10.576   73.690   35.130   99.914   34.078 -26.22362 48.94317 
1 1 1    4   20   39 o  105.040   32.057   21.219   9.5194   15.010   20.724   22.879   10.717   85.523   39.579  106.102   34.247 -20.57886 52.33907 
1 1 1    4   20   40 o   75.303   32.772   9.5197   11.955   4.2690   16.095   15.980   17.853   72.161   33.883   84.103   38.090 -11.94286 50.97911 
1 1 1    4   20   41 o   88.933   30.513   15.769   8.4801   13.332   12.389   17.916   11.632   79.677   33.999   88.503   34.743 -8.826172 48.61126 
1 1 1    4   20   42 o   87.625   30.474   15.933   8.4722   25.653   13.002   8.7607   11.169   98.576   37.236   70.711   31.196 27.86565 48.57717 
1 1 1    4   20   43 o   62.237   29.166   3.1062   11.827   16.820   16.899 -10.0600   16.558   77.076   35.695   58.093   28.827 18.98284 45.88187 
1 1 1    4   21    0 o  306.743   14.557  122.364   11.566  118.580   17.155  125.518   15.662  300.351   22.208  309.544   19.634 -9.193756 29.64281 
1 1 1    4   21    1 o  142.730   28.440   27.712   10.145   30.885   15.198   25.161   13.626  149.487   38.883  135.457   37.536 14.02971 54.04494 
1 1 1    4   21    2 o  567.735   11.480  418.537   16.882  417.328   24.162  419.690   23.599  566.142   16.476  567.820   16.045 -1.677917 22.99770 
1 1 1    4   21    3 o  118.267   30.766   19.135   9.5146   22.518   13.525   15.822   13.387  128.848   37.957  112.763   38.342 16.08554 53.95217 
1 1 1    4   21    4 o  269.203   16.538   94.729   11.476   81.656   16.435  107.170   16.032  248.112   25.956  285.471   21.847 -37.35989 33.92661 
1 1 1    4   21    5 f  120.671   34.692   19.787   11.422   28.321   15.088   8.3320   17.480  143.305   39.415  106.011   42.280 37.29309 57.80263 
1 1 1    4   21    6 f  407.562   14.773  216.130   15.596  211.167   20.016  223.800   24.881  402.214   19.212  412.666   23.373 -10.45126 30.25534 
1 1 1    4   21    7 o  172.581   23.200   39.704   10.108   52.733   15.683   30.443   13.222  197.289   31.766  148.463   34.959 48.82585 47.23540 
1 1 1    4   21    8 o  578.422   11.430  434.610   17.126  433.418   24.611  435.729   23.847  576.707   16.475  578.360   15.918 -1.653015 22.90844 
1 1 1    4   21    9 o  258.983   16.460   87.774   10.985   79.689   15.626   95.675   15.446  245.027   24.969  269.305   22.344 -24.27837 33.50658 
1 1 1    4   21   10 o  316.172   14.827  130.181   12.143   99.777   16.872  162.856   17.490  274.596   23.960  352.466   19.230 -77.87064 30.72256 
1 1 1    4   21   11 o  378.540   13.390  186.465   13.129  206.790   19.366  169.179   17.861  397.726   18.798  359.160   19.268 38.56601 26.91905 
1 1 1    4   21   12 o  158.970   25.994   34.165   10.334   18.387   14.971   48.523   14.281  119.784   40.547  188.988   30.189 -69.20427 50.55165 
1 1 1    4   21   13 o  403.361   28.152  216.700   29.230  216.700   29.230   0.0000   0.0000  403.361   28.152  ?   ?  0.000000 28.15249 
1 1 1    4   21   14 o  167.305   35.822   39.068   15.056   26.090   22.104   50.300   20.563  141.459   49.222  188.067   43.130 -46.60852 65.44478 
1 1 1    4   21   15 o  112.442   36.519   16.791   12.173   36.932   16.381  -8.0480   18.191  161.421   39.499   85.285   38.552 76.13568 55.19500 
1 1 1    4   21   16 o   82.534   32.908   5.1675   10.587   9.7500   16.964   2.2437   13.550  105.552   41.791   85.450   35.968 20.10219 55.13765 
1 1 1    4   21   17 o  242.283   17.776   77.465   11.078  101.343   18.098   63.158   14.009  274.706   25.734  216.438   25.475 58.26834 36.21104 
1 1 1    4   21   18 o  486.207   14.302  309.239   18.012  321.381   22.914  289.600   29.141  494.275   17.897  465.632   24.245 28.64307 30.13477 
1 1 1    4   21   19 o  178.414   23.619   43.177   10.647   0.0000   0.0000   43.177   10.647  ?   ?   178.414   23.619 0.000000 23.61885 
1 1 1    4   21   20 o  423.320   16.180  235.992   17.741   0.0000   0.0000  235.992   17.741  ?   ?   423.320   16.180 0.000000 16.17955 
1 1 1    4   21   21 o  184.697   20.671   46.064   9.7200   30.470   24.839   48.884   10.562  143.381   51.945  189.875   21.875 -46.49431 56.36297 
1 1 1    4   21   22 o  126.541   28.544   22.889   9.1332   24.180   24.649   22.683   9.8331  132.191   50.943  125.307   30.567 6.884094 59.40986 
1 1 1    4   21   23 o   62.401   27.362  -0.9633   8.4725 -20.6500   25.696   1.4380   8.9744   87.963   41.755   68.479   29.071 19.48435 50.87833 
1 1 1    4   21   24 o   73.524   29.686   4.3888   8.7318 -21.2000   25.054   7.9268   9.3160   85.680   40.830   83.053   31.484 2.626755 51.55880 
1 1 1    4   21   25 o  145.440   23.026   29.555   8.3859   54.080   24.939   26.428   8.9044  176.309   51.430  135.953   26.236 40.35583 57.73533 
1 1 1    4   21   26 o  196.876   19.213   52.857   9.6730   78.580   26.147   48.778   10.412  215.733   48.025  187.716   21.820 28.01765 52.74956 
1 1 1    4   21   27 o  176.431   20.140   42.957   9.0394   92.050   25.820   36.100   9.6500  236.532   43.754  159.487   24.112 77.04515 49.95769 
1 1 1    4   21   28 o   58.172   26.857  -5.1958   9.4583  -7.4950   23.185  -4.7368   10.360   87.899   41.078   61.736   28.358 26.16283 49.91596 
1 1 1    4   21   29 o   60.192   26.876  -1.3346   8.5427 -21.0900   21.825   2.2396   9.2834   75.085   36.369   68.551   29.346 6.533531 46.73212 
1 1 1    4   21   30 o   73.891   28.447   6.7331   7.6802  -3.9490   20.967   8.3884   8.2538   84.315   39.289   79.090   29.712 5.224304 49.25896 
1 1 1    4   21   31 o   43.787   21.248 -10.7188   7.5380  -8.1720   19.400 -11.1717   8.1808   77.205   36.541   45.851   22.223 31.35377 42.76841 
1 1 1    4   21   32 o   48.221   22.933  -7.4043   7.8218   0.0000   0.0000  -7.4043   7.8218  ?   ?    48.221   22.933 0.000000 22.93276 
1 1 1    4   21   33 o   93.993   30.012   14.386   8.2471  -0.7072   20.465   17.312   9.0112   82.465   38.556  101.976   31.202 -19.51134 49.60007 
1 1 1    4   21   34 o   51.433   23.260  -1.5177   6.6298 -22.4400   18.680   1.4977   7.0915   64.199   31.627   58.582   25.367 5.617085 40.54310 
1 1 1    4   21   35 o  124.802   24.006   24.040   7.4786  -0.2022   17.136   29.744   8.3120   75.721   35.363  139.212   23.912 -63.49090 42.68840 
1 1 1    4   21   36 f   59.407   25.676   2.3125   7.2371   26.600   19.745  -1.4568   7.7785  103.987   43.575   54.395   24.831 49.59200 50.15369 
1 1 1    4   21   37 o   46.283   22.030  -5.7496   7.2494   3.3100   16.156  -8.0334   8.1118   74.268   34.568   46.715   22.515 27.55286 41.25347 
1 1 1    4   21   38 o  113.460   27.740   22.439   8.0845   27.780   20.822   21.491   8.7727   97.199   42.750  107.883   30.199 -10.68357 52.34080 
1 1 1    4   21   39 o   66.735   29.172   5.5251   9.5655   17.110   17.697   0.7437   11.369   84.665   38.171   62.760   29.140 21.90460 48.02274 
1 1 1    4   21   40 o   55.040   25.789  -1.7441   9.2406  -7.1660   20.454  -0.3537   10.358   66.529   32.835   58.881   27.497 7.647800 42.82780 
1 1 1    4   21   41 o   64.671   28.297   5.9509   9.0199   24.430   16.690  -1.6731   10.720   88.705   38.661   57.092   27.063 31.61243 47.19225 
1 1 1    4   21   42 o   58.543   26.558   3.1631   8.7232   9.1320   12.657  -2.2372   12.039   69.332   31.660   57.328   27.579 12.00422 41.98760 
1 1 1    4   22    0 o  665.146   11.626  574.826   20.031  593.133   29.064  558.261   27.646  674.535   16.634  654.488   16.307 20.04681 23.29412 
1 1 1    4   22    1 o  327.478   20.142  140.739   17.003   0.0000   0.0000  140.739   17.003  ?   ?   327.478   20.142 0.000000 20.14237 
1 1 1    4   22    2 o  417.557   18.374  227.630   19.873  227.630   19.873   0.0000   0.0000  417.557   18.374  ?   ?  0.000000 18.37395 
1 1 1    4   22    3 f  575.438   13.940  430.872   20.778  386.516   24.619  540.700   38.739  544.294   17.461  641.940   23.297 -97.64685 29.11446 
1 1 1    4   22    4 o  259.656   20.706   88.782   13.811   78.181   16.953  109.700   23.813  241.975   27.537  285.568   32.788 -43.59232 42.81740 
1 1 1    4   22    5 o  777.446   14.021  786.686   28.235  813.437   35.290  739.100   47.067  789.557   17.255  749.914   24.230 39.64270 29.74638 
1 1 1    4   22    6 o  250.994   18.242   82.716   11.779   80.369   17.788   84.549   15.720  244.985   28.568  252.461   24.339 -7.476318 37.53022 
1 1 1    4   22    7 o   91.181   33.193   9.2320   10.160   14.902   16.401   5.7008   12.943  114.835   42.116   90.431   36.272 24.40397 55.58260 
1 1 1    4   22    8 o  294.594   15.533  113.465   11.811  125.943   18.315  104.580   15.454  308.732   23.069  281.601   21.345 27.13107 31.42908 
1 1 1    4   22    9 o  213.070   19.803   59.963   10.804   58.837   16.666   60.779   14.190  207.878   31.975  212.989   26.278 -5.111603 41.38760 
1 1 1    4   22   10 o  181.757   27.508   44.686   12.546   36.410   22.763   48.297   15.036  160.826   49.656  187.789   32.062 -26.96271 59.10693 
1 1 1    4   22   11 f  278.367   23.251  102.790   16.612  136.100   26.040   79.930   21.572  317.442   32.109  241.257   35.588 76.18494 47.93224 
1 1 1    4   22   12 o  333.359   17.787  145.907   15.303  153.078   19.928  135.600   23.892  340.030   22.757  317.621   29.372 22.40930 37.15596 
1 1 1    4   22   13 o  307.239   16.205  123.791   12.851  173.403   19.787   87.593   16.902  362.287   21.177  255.669   25.877 106.6185 33.43804 
1 1 1    4   22   14 f  215.883   21.236   62.026   11.721   60.873   17.618   62.942   15.700  209.786   33.552  215.095   28.910 -5.308655 44.28964 
1 1 1    4   22   15 o  111.619   32.460   17.289   9.9480   27.012   14.697   9.0683   13.514  137.722   39.277   96.933   37.618 40.78927 54.38590 
1 1 1    4   22   16 o  325.982   15.177  139.208   12.815  153.208   19.159  127.874   17.239  339.242   21.920  309.931   21.609 29.31201 30.78025 
1 1 1    4   22   17 o  203.941   22.729   56.048   11.803   45.410   18.274   63.662   15.460  176.106   40.852  215.281   28.418 -39.17546 49.76394 
1 1 1    4   22   18 o  395.987   19.742  208.115   20.250  226.100   28.706  190.300   28.570  407.459   27.357  371.899   29.911 35.56018 40.53474 
1 1 1    4   22   19 o  115.065   49.654   6.6650   26.981   6.6650   26.981   0.0000   0.0000  115.065   49.654  ?   ?  0.000000 49.65352 
1 1 1    4   22   20 o  171.297   24.855   40.581   10.706   78.940   26.084   32.809   11.741  225.628   46.185  151.107   31.035 74.52100 55.64360 
1 1 1    4   22   21 o   89.824   30.889   10.767   8.6926   18.100   26.029   9.8467   9.2221  124.017   50.811   88.097   31.688 35.91957 59.88239 
1 1 1    4   22   22 o  158.585   22.232   34.710   8.8815   73.220   28.161   30.457   9.3592  207.850   52.338  146.983   25.507 60.86667 58.22285 
1 1 1    4   22   23 o   61.464   27.120  -1.2260   8.4430  -6.2870   23.905  -0.5046   9.0247   93.802   43.084   64.716   28.311 29.08622 51.55371 
1 1 1    4   22   24 o   73.825   28.961   5.4976   8.0770 -10.5700   21.109   8.2534   8.7423   84.209   39.301   82.110   30.631 2.099022 49.82791 
1 1 1    4   22   25 o   95.836   27.715   13.446   7.2706   30.560   19.721   10.754   7.8216  134.267   46.505   87.371   29.309 46.89619 54.97060 
1 1 1    4   22   26 o   86.634   29.116   10.699   7.7192   21.850   20.303   8.8152   8.3459  117.649   45.983   81.977   30.047 35.67220 54.92940 
1 1 1    4   22   27 o  270.959   17.923  100.315   12.508  101.500   23.093   99.823   14.880  253.794   36.149  267.109   21.694 -13.31537 42.15903 
1 1 1    4   22   28 o   89.077   28.513   11.919   7.4406   15.850   18.060   11.116   8.1658  103.576   42.368   86.862   29.934 16.71447 51.87570 
1 1 1    4   22   29 o   75.892   27.669   7.9146   7.0639   7.7210   19.206   7.9449   7.5963   92.385   40.826   76.699   28.565 15.68543 49.82677 
1 1 1    4   22   30 o  111.026   28.905   19.528   8.3942  -5.7800   20.995   24.344   9.1581   80.978   38.231  124.261   28.984 -43.28272 47.97604 
1 1 1    4   22   31 o   50.903   24.090  -6.8638   8.4267   0.0000   0.0000  -6.8638   8.4267  ?   ?    50.903   24.090 0.000000 24.08995 
1 1 1    4   22   32 o   64.747   27.692   2.9036   8.2534 -34.1100   20.838   9.7903   8.9885   63.055   31.459   81.012   30.874 -17.95739 44.07839 
1 1 1    4   22   33 o   54.201   24.362  -0.8591   7.1443 -10.3200   14.687   2.0735   8.1769   63.682   30.591   62.448   27.141 1.234097 40.89538 
1 1 1    4   22   34 o   89.029   29.046   13.341   7.6975   2.0810   18.598   15.669   8.4556   78.946   36.859   95.211   30.388 -16.26536 47.77057 
1 1 1    4   22   35 o   57.451   24.784   2.1172   6.7181   12.960   19.306   0.6233   7.1659   87.413   39.597   55.825   24.790 31.58805 46.71685 
1 1 1    4   22   36 o   60.259   25.468   3.6354   6.8388   25.270   15.335  -1.7350   7.6406  102.646   40.006   52.736   24.272 49.91005 46.79383 
1 1 1    4   22   37 o   65.050   26.416   5.9801   6.9571   1.0140   19.606   6.6954   7.4413   73.160   35.195   67.300   27.323 5.860130 44.55644 
1 1 1    4   22   38 o   71.214   29.993   8.3503   9.4313   17.300   17.778   4.8449   11.126   83.981   38.024   67.108   30.260 16.87330 48.59494 
1 1 1    4   22   39 o   60.652   27.266   3.0550   8.9541   21.700   20.624  -1.2761   9.9398   84.582   39.263   56.737   26.636 27.84501 47.44586 
1 1 1    4   22   40 o   57.498   26.072   2.1934   8.3948 -25.5700   17.845   10.084   9.5132   54.004   27.237   71.955   30.204 -17.95192 40.67103 
1 1 1    4   22   41 o   42.379   20.815  -9.2759   7.8949 -17.2000   21.504  -8.0415   8.4877   59.528   30.007   45.081   22.025 14.44643 37.22234 
1 1 1    4   22   42 o   55.503   26.114   1.1127   9.6440  -7.7300   18.771   4.2838   11.241   58.898   29.457   60.692   28.440 -1.793945 40.94578 
1 1 1    4   23    0 o  375.997   13.933  184.133   13.570  192.845   20.642  177.501   18.009  382.905   20.891  367.812   18.967 15.09308 28.21665 
1 1 1    4   23    1 f   75.054   31.292   1.8919   10.108 -21.9073   15.571   19.225   13.288   65.519   31.480  119.888   38.076 -54.36847 49.40462 
1 1 1    4   23    2 o  317.329   17.783  132.032   14.559  138.665   18.840  122.200   22.938  324.034   22.587  301.934   29.713 22.10059 37.32384 
1 1 1    4   23    3 f  672.730   23.280  595.600   40.568   0.0000   0.0000  595.600   40.568  ?   ?   672.730   23.280 0.000000 23.28033 
1 1 1    4   23    4 o  480.802   12.926  300.919   16.098  298.592   23.799  302.881   21.857  477.478   19.242  481.350   17.530 -3.872467 26.02973 
1 1 1    4   23    5 o  256.972   20.657   87.193   13.634  143.900   26.827   67.448   15.830  326.716   32.115  223.915   27.899 102.8009 42.54041 
1 1 1    4   23    6 o  137.101   35.230   26.248   12.579   42.810   24.113   20.056   14.744  172.637   50.632  122.856   40.205 49.78101 64.65356 
1 1 1    4   23    7 o  593.164   16.902  460.002   25.969  453.500   38.180  465.600   35.426  585.624   25.169  594.389   23.009 -8.765564 34.10155 
1 1 1    4   23    8 o  271.877   23.278   98.197   16.235   98.340   24.815   98.090   21.468  267.217   36.829  269.024   31.397 -1.807190 48.39575 
1 1 1    4   23    9 o  288.798   18.971  109.885   14.113  110.009   18.240  109.700   22.277  287.270   24.754  284.727   30.690 2.543549 39.42915 
1 1 1    4   23   10 o  145.139   30.204   29.201   10.986   33.124   16.344   25.968   14.837  152.437   40.648  135.905   39.675 16.53247 56.80165 
1 1 1    4   23   11 o  249.812   18.952   82.464   12.172   87.180   17.997   78.488   16.526  254.087   27.798  241.262   26.902 12.82492 38.68379 
1 1 1    4   23   12 o  304.479   15.039  121.271   11.861  150.590   17.997   98.756   15.771  337.207   20.705  272.216   22.570 64.99103 30.62797 
1 1 1    4   23   13 o  379.612   14.270  188.460   14.032  191.394   20.795  186.008   19.013  379.783   21.223  375.032   19.640 4.751221 28.91594 
1 1 1    4   23   14 o   72.614   31.263   0.0151   10.647   2.5603   15.964  -2.0240   14.289   91.236   38.754   80.573   35.426 10.66307 52.50648 
1 1 1    4   23   15 o  206.457   22.648   57.472   11.913   64.854   17.539   51.150   16.231  215.295   32.459  189.958   34.247 25.33737 47.18505 
1 1 1    4   23   16 o  138.483   38.538   28.137   14.331   11.480   18.985   50.200   21.850  109.293   43.897  181.264   46.353 -71.97121 63.84008 
1 1 1    4   23   17 o   84.870   35.522   3.7812   13.098  -4.2102   16.239   18.660   22.158   82.006   36.804  123.323   48.083 -41.31712 60.55148 
1 1 1    4   23   18 o   78.672   36.055  -7.7758   16.614  -7.7758   16.614   0.0000   0.0000   78.672   36.055  ?   ?  0.000000 36.05474 
1 1 1    4   23   19 o  213.573   20.232   61.730   11.059   38.219   15.689   84.952   15.592  158.736   38.542  248.458   24.548 -89.72200 45.69557 
1 1 1    4   23   20 o  124.066   28.799   22.315   9.0769   56.040   28.001   18.354   9.5950  178.448   55.069  111.810   31.683 66.63778 63.53263 
1 1 1    4   23   21 o  151.188   28.505   32.980   10.754   79.000   28.193   25.144   11.633  215.408   51.268  129.071   34.234 86.33725 61.64756 
1 1 1    4   23   22 o  100.027   30.213   14.644   8.4879   31.870   23.889   12.155   9.0803  137.628   50.775   92.984   31.578 44.64402 59.79318 
1 1 1    4   23   23 o   52.185   24.368  -6.3954   8.1335 -22.7100   21.338  -3.6220   8.7977   75.476   36.412   58.530   26.598 16.94659 45.09231 
1 1 1    4   23   24 o   96.578   29.593   13.831   8.1026  -3.4020   23.366   16.186   8.6386   92.441   42.509  103.752   30.270 -11.31092 52.18550 
1 1 1    4   23   25 o   45.222   21.418  -6.7982   6.6860  -3.8620   23.028  -7.0686   6.9870   90.286   41.762   46.195   21.883 44.09103 47.14788 
1 1 1    4   23   26 o  177.389   33.142   49.174   14.669   45.090   24.554   51.440   18.291  148.493   51.866  173.183   41.346 -24.68983 66.32958 
1 1 1    4   23   27 o  196.898   20.636   54.717   10.369   18.470   23.941   63.086   11.504  108.834   46.869  210.939   21.348 -102.1042 51.50181 
1 1 1    4   23   28 o  107.160   27.257   17.787   7.5838   43.590   22.669   14.535   8.0475  141.637   49.814   95.973   29.507 45.66396 57.89754 
1 1 1    4   23   29 o  102.243   28.793   16.711   7.9499   6.7930   21.173   18.339   8.5775   90.874   41.283  106.416   29.887 -15.54133 50.96587 
1 1 1    4   23   30 o  114.308   29.804   21.386   8.9157   0.0000   0.0000   21.386   8.9157  ?   ?   114.308   29.804 0.000000 29.80407 
1 1 1    4   23   31 o   60.962   26.711   1.3055   8.0605 -11.1700   16.418   5.2674   9.2523   66.835   32.167   71.065   29.807 -4.229538 43.85350 
1 1 1    4   23   32 o   52.543   24.209  -2.8038   7.6279 -11.5400   19.226  -1.1717   8.3100   70.468   34.133   57.113   25.914 13.35513 42.85580 
1 1 1    4   23   33 o   59.116   25.890   1.6113   7.5650  -0.5498   19.323   2.0025   8.2213   76.855   36.402   61.484   26.956 15.37055 45.29667 
1 1 1    4   23   34 o   47.275   22.275  -4.5714   7.0627 -29.6000   17.697   0.1702   7.7027   56.494   28.306   56.308   25.303 0.1860085 37.96674 
1 1 1    4   23   35 o   57.518   25.199   2.0551   7.1727  -5.7880   17.086   3.7330   7.9028   67.021   32.394   62.294   26.877 4.726917 42.09237 
1 1 1    4   23   36 o   50.009   23.147  -1.9023   7.0924   9.1880   19.773  -3.5400   7.5980   78.257   36.994   49.303   23.192 28.95342 43.66234 
1 1 1    4   23   37 o   72.719   30.431   9.4074   9.6102   8.8660   15.835   9.7231   12.092   74.406   34.492   73.980   32.557 0.4257813 47.43039 
1 1 1    4   23   38 o   61.319   27.366   3.8642   8.8462   0.1851   20.211   4.7360   9.8386   68.825   33.701   63.893   28.663 4.931767 44.24141 
1 1 1    4   23   39 o   53.778   24.868   0.1522   8.1569 -19.3300   18.423   4.9025   9.0971   56.699   28.474   62.264   27.773 -5.565517 39.77564 
1 1 1    4   23   40 o   77.293   30.199   13.448   8.7544 -21.2900   21.102   20.670   9.6215   57.375   29.018   93.046   32.469 -35.67125 43.54620 
1 1 1    4   23   41 o   47.123   23.498 -13.2969   11.564   0.0000   0.0000 -13.2969   11.564  ?   ?    47.123   23.498 0.000000 23.49843 
1 1 1    4   24    0 o  407.859   16.247  217.515   17.165  205.220   21.857  237.300   27.725  394.208   21.486  422.381   25.460 -28.17261 33.31439 
1 1 1    4   24    1 o  361.081   22.445  172.587   20.889  172.587   20.889   0.0000   0.0000  361.081   22.445  ?   ?  0.000000 22.44542 
1 1 1    4   24    2 o  675.612   17.799  598.069   31.149  598.069   31.149   0.0000   0.0000  675.612   17.799  ?   ?  0.000000 17.79876 
1 1 1    4   24    3 o  280.884   20.406  104.290   14.746  110.388   18.910   94.830   23.553  287.370   25.675  262.425   35.565 24.94495 43.86419 
1 1 1    4   24    4 o  361.913   16.499  171.400   15.467  178.441   20.109  161.200   24.204  367.461   21.217  346.983   27.146 20.47748 34.45394 
1 1 1    4   24    5 o  148.033   28.885   30.229   10.678   44.091   16.546   20.334   13.979  176.792   37.304  122.212   39.079 54.58044 54.02592 
1 1 1    4   24    6 o  268.464   17.481   94.884   12.090   95.614   18.276   94.316   16.121  266.627   26.827  265.883   23.655 0.7434692 35.76636 
1 1 1    4   24    7 o  597.213   12.134  464.802   18.771  465.183   27.310  464.462   25.844  595.384   17.708  595.328   16.760 0.5633545E-01 24.38148 
1 1 1    4   24    8 o  208.304   21.368   57.892   11.366   44.358   16.447   70.265   15.726  176.873   37.083  227.777   27.191 -50.90431 45.98409 
1 1 1    4   24    9 o  285.226   16.029  106.955   11.795  110.160   16.670  103.742   16.691  287.417   22.573  278.591   23.344 8.825897 32.47273 
1 1 1    4   24   10 o  397.108   13.269  206.026   13.649  218.414   20.468  196.105   18.317  406.861   19.421  385.913   18.324 20.94757 26.70093 
1 1 1    4   24   11 o  188.544   24.041   48.147   11.474   59.070   17.965   40.621   14.912  204.565   35.171  168.883   35.227 35.68248 49.77863 
1 1 1    4   24   12 o   79.673   32.262   4.4824   10.345  -0.1984   17.516   6.9898   12.820   90.912   39.616   90.665   36.193 0.2474060 53.65918 
1 1 1    4   24   13 o  242.658   21.833   79.140   13.576  122.900   25.603   62.023   16.013  295.855   34.029  211.086   30.142 84.76900 45.45916 
1 1 1    4   24   14 o   79.424   34.574  -0.2512   13.312 -15.5000   17.340   21.640   20.776   74.069   34.900  127.088   47.258 -53.01949 58.74844 
1 1 1    4   24   15 o  113.428   38.752   17.999   13.676   27.448   16.847  -0.2573   23.418  135.240   42.865  101.438   44.941 33.80227 62.10522 
1 1 1    4   24   16 o  142.000   37.684   30.288   14.091   0.0000   0.0000   30.288   14.091  ?   ?   142.000   37.684 0.000000 37.68425 
1 1 1    4   24   17 o  330.534   15.597  144.699   13.354  141.020   18.972  148.311   18.799  321.511   22.931  330.342   22.097 -8.831085 31.84491 
1 1 1    4   24   18 o  264.325   18.482   94.036   12.575  110.897   18.694   80.101   16.994  282.238   25.858  238.076   28.099 44.16306 38.18616 
1 1 1    4   24   19 o  366.926   14.345  178.318   13.634  138.120   20.473  210.354   18.277  314.852   25.317  396.159   17.811 -81.30646 30.95467 
1 1 1    4   24   20 o  102.368   40.007   13.347   15.368 -19.4900   24.684   34.130   19.638   84.665   40.396  142.579   46.388 -57.91332 61.51186 
1 1 1    4   24   21 o  140.658   29.223   29.195   10.300   92.300   25.600   17.008   11.250  238.862   42.955  106.330   35.136 132.5328 55.49469 
1 1 1    4   24   22 o   63.382   26.801   1.7683   7.5789  -5.4150   25.628   2.4567   7.9338   94.310   43.775   65.938   27.626 28.37193 51.76374 
1 1 1    4   24   23 o   88.341   30.917   11.126   8.7270 -10.3100   25.638   13.935   9.2812   89.632   42.296   96.449   31.915 -6.816719 52.98593 
1 1 1    4   24   24 o   66.653   30.171  -2.4694   11.185 -36.4700   23.103   7.9400   12.783   69.716   34.498   86.110   35.482 -16.39394 49.48873 
1 1 1    4   24   25 o   65.217   30.662  -8.1768   13.254  -9.5680   21.009  -7.2570   17.082   80.277   38.004   74.859   35.072 5.418839 51.71416 
1 1 1    4   24   26 o   46.244   22.264  -9.6701   7.8812 -14.3000   19.163  -8.7275   8.6463   72.535   34.870   50.111   23.909 22.42353 42.27954 
1 1 1    4   24   27 f   53.192   24.127  -2.0891   7.1964   12.690   19.036  -4.5534   7.7732   95.776   41.518   51.645   24.018 44.13131 47.96426 
1 1 1    4   24   28 o  105.149   27.208   17.507   7.4672   0.0605   19.565   20.481   8.0787   81.904   38.095  113.582   27.706 -31.67805 47.10430 
1 1 1    4   24   29 o   95.617   30.604   15.302   8.5716   0.0000   0.0000   15.302   8.5716  ?   ?    95.617   30.604 0.000000 30.60369 
1 1 1    4   24   30 o   56.670   26.019  -2.3843   8.7076 -18.8100   20.683   1.1543   9.5998   68.825   33.781   64.220   28.596 4.604988 44.25910 
1 1 1    4   24   31 o   81.730   29.435   10.950   7.9595   39.790   20.663   5.9254   8.6250  124.576   46.970   70.118   29.042 54.45846 55.22292 
1 1 1    4   24   32 o   89.861   29.743   14.116   8.0605   4.1910   19.100   16.267   8.8910   79.436   37.175   95.002   31.228 -15.56600 48.55024 
1 1 1    4   24   33 o   88.163   28.400   13.641   7.3725   25.030   15.967   10.555   8.3115  101.888   40.480   78.557   29.748 23.33117 50.23538 
1 1 1    4   24   34 o   77.249   28.774   10.515   7.7083   23.290   20.122   8.3179   8.3449   92.387   41.250   71.908   29.025 20.47973 50.43845 
1 1 1    4   24   35 o   63.448   26.942   5.1845   7.7106   23.110   20.296   2.1611   8.3355   88.840   40.383   59.036   26.440 29.80394 48.26861 
1 1 1    4   24   36 o   79.122   30.448   12.609   8.7954   15.090   15.542   11.440   10.668   79.918   35.925   75.742   31.899 4.176163 48.04375 
1 1 1    4   24   37 o   54.949   25.501  -0.0377   8.6912 -14.9400   19.834   3.5038   9.6689   60.529   30.274   61.342   27.879 -0.8134651 41.15525 
1 1 1    4   24   38 o   59.225   25.769   4.5861   7.3878   13.070   19.043   3.0830   8.0156   73.521   35.189   57.460   25.818 16.06009 43.64406 
1 1 1    4   24   39 o   79.672   30.145   14.567   8.5305 -16.0600   20.802   20.758   9.3530   58.226   29.371   93.311   32.044 -35.08488 43.46809 
1 1 1    4   24   40 o   46.776   22.593  -4.2293   8.2735   0.0000   0.0000  -4.2293   8.2735  ?   ?    46.776   22.593 0.000000 22.59263 
1 1 1    4   25    0 o  335.914   18.156  148.813   15.739  146.586   19.182  153.400   27.534  331.819   22.449  334.825   32.142 -3.006073 39.20518 
1 1 1    4   25    1 o  258.955   21.699   89.353   14.421   77.898   17.545  113.200   25.316  239.055   28.923  285.800   34.923 -46.74425 45.34513 
1 1 1    4   25    2 o  166.749   27.558   38.184   11.487   37.569   17.396   38.659   15.297  160.879   41.478  164.650   36.794 -3.771210 55.44563 
1 1 1    4   25    3 o  249.920   18.415   82.645   11.838   95.058   18.646   74.265   15.321  264.809   27.589  234.497   25.641 30.31195 37.66445 
1 1 1    4   25    4 f  625.993   12.155  511.246   19.710  490.626   28.501  530.147   27.287  610.584   18.020  635.475   16.577 -24.89105 24.48545 
1 1 1    4   25    5 o  477.009   12.959  297.219   16.012  296.106   23.643  298.162   21.761  473.686   19.269  476.041   17.648 -2.354950 26.12960 
1 1 1    4   25    6 o  417.652   13.743  228.176   14.868  223.131   22.074  232.366   20.116  409.880   20.860  419.786   18.499 -9.905731 27.88150 
1 1 1    4   25    7 o   89.520   33.237   9.0245   10.269   25.618   15.940  -2.7471   13.426  133.575   41.604   76.993   34.073 56.58129 53.77611 
1 1 1    4   25    8 o  356.321   14.294  166.399   13.193  179.526   19.376  155.051   18.015  367.328   20.444  341.284   20.473 26.04410 28.93274 
1 1 1    4   25    9 f  118.479   36.719   19.910   12.434   28.510   22.355   16.058   14.962  140.948   49.474  111.797   40.344 29.15088 63.83797 
1 1 1    4   25   10 o   90.161   35.101   8.1288   11.795  -2.4220   23.170   11.820   13.704   99.890   44.456  101.136   38.222 -1.246376 58.62829 
1 1 1    4   25   11 o  333.394   23.083  150.083   19.812  183.900   29.136  121.000   27.020  363.230   31.272  290.294   36.757 72.93600 48.25961 
1 1 1    4   25   12 o   64.622   30.038  -8.9264   12.135 -10.1835   15.183  -6.7040   20.188   72.568   33.687   88.506   40.248 -15.93714 52.48537 
1 1 1    4   25   13 o  274.005   18.040  100.290   12.732  135.585   18.780   70.266   17.321  315.808   23.118  222.589   30.873 93.21863 38.56894 
1 1 1    4   25   14 o   90.244   34.423   9.3733   11.180 -10.1303   17.530   22.743   14.514   78.160   36.253  123.267   39.863 -45.10658 53.88223 
1 1 1    4   25   15 o  239.948   19.653   77.870   12.108   66.761   17.976   87.095   16.380  213.699   33.583  250.260   25.630 -36.56067 42.24574 
1 1 1    4   25   16 o  120.775   33.990   21.934   11.083 -12.5383   16.480   50.394   14.974   72.565   34.141  185.251   32.385 -112.6861 47.05698 
1 1 1    4   25   17 o  117.144   36.107   20.930   12.042   10.542   18.538   28.513   15.839  102.327   42.495  133.562   41.450 -31.23534 59.36308 
1 1 1    4   25   18 o  247.549   18.688   83.176   11.895   66.410   16.493  101.353   17.172  212.956   30.793  268.761   24.951 -55.80411 39.63295 
1 1 1    4   25   19 o   73.588   31.093   3.0024   10.189 -16.2201   16.586   14.654   12.913   68.801   32.906  101.419   37.344 -32.61770 49.77362 
1 1 1    4   25   20 o  155.346   26.068   34.912   10.118   6.4489   15.356   56.749   13.451   89.520   38.017  198.170   26.898 -108.6493 46.57066 
1 1 1    4   25   21 o   65.535   27.445   2.6038   7.8247   4.4380   25.003   2.4046   8.2385  100.035   45.211   66.362   27.995 33.67293 53.17653 
1 1 1    4   25   22 o   41.537   20.491 -15.5238   7.9347  -4.0410   20.156 -17.6297   8.6317   84.413   39.054   42.623   21.091 41.78941 44.38526 
1 1 1    4   25   23 o   77.964   34.594   1.6919   13.928 -13.4700   24.024   9.3690   17.095   82.575   39.523   93.093   39.836 -10.51807 56.11569 
1 1 1    4   25   24 o   63.424   27.005   2.2199   7.7854   35.090   25.185  -1.2530   8.1864  127.143   50.736   58.402   26.176 68.74095 57.09100 
1 1 1    4   25   25 o   58.823   26.148  -0.3623   7.9924 -16.6100   22.586   1.9634   8.5454   75.979   36.849   64.548   27.899 11.43139 46.21890 
1 1 1    4   25   26 o  113.556   28.965   20.791   8.5468   28.520   22.278   19.457   9.2550  114.262   46.933  108.035   31.277 6.226761 56.40035 
1 1 1    4   25   27 o   42.635   20.440  -7.2473   6.4850   6.0420   20.162  -8.7807   6.8489   86.621   39.705   42.414   20.503 44.20752 44.68645 
1 1 1    4   25   28 o   58.579   26.073   0.2752   7.9720   0.0000   0.0000   0.2752   7.9720  ?   ?    58.579   26.073 0.000000 26.07335 
1 1 1    4   25   29 o   73.535   29.885   7.3011   8.9127   2.0690   20.260   8.5567   9.9246   80.701   37.932   77.273   31.485 3.427849 49.29613 
1 1 1    4   25   30 o   89.969   29.536   14.014   7.9548   18.280   19.056   13.113   8.7541   93.928   41.114   86.673   30.905 7.255516 51.43439 
1 1 1    4   25   31 o   94.317   29.201   15.717   7.8661   22.960   18.538   14.126   8.6868   97.430   41.583   88.330   30.850 9.100403 51.77678 
1 1 1    4   25   32 o  123.709   25.585   25.317   7.9279   21.650   19.657   26.030   8.6637   92.331   41.027  122.899   27.858 -30.56834 49.59130 
1 1 1    4   25   33 o  115.735   27.250   23.453   8.0339   25.460   20.714   23.098   8.7162   92.264   41.475  111.725   29.633 -19.46119 50.97315 
1 1 1    4   25   34 o   45.339   21.734  -5.6674   7.3277   4.9060   18.985  -7.5183   7.9433   72.458   34.800   45.328   21.952 27.12971 41.14533 
1 1 1    4   25   35 o   53.764   25.216  -1.4751   8.8716   2.6290   17.840  -2.8233   10.226   68.408   33.074   55.043   26.190 13.36488 42.18742 
1 1 1    4   25   36 o   85.932   32.845   17.619   10.191   27.710   21.179   14.579   11.625   84.424   39.389   77.936   33.087 6.488174 51.44172 
1 1 1    4   25   37 o   73.407   29.481   11.615   8.5621   19.480   19.941   9.8367   9.4805   76.417   36.419   69.331   29.667 7.085686 46.97284 
1 1 1    4   25   38 o   52.832   24.748   0.3020   8.4992   2.6590   20.608  -0.1811   9.3296   64.523   32.042   53.646   25.376 10.87693 40.87324 
1 1 1    4   25   39 o   60.905   27.210   6.7797   8.7692   0.0000   0.0000   6.7797   8.7692  ?   ?    60.905   27.210 0.000000 27.20968 
1 1 1    4   26    0 o   85.172   38.037  -3.9484   17.119 -23.0500   25.353   12.060   23.210   88.044   41.701  116.936   47.953 -28.89248 63.54912 
1 1 1    4   26    1 o  369.944   21.187  182.799   20.218  195.600   29.741  171.800   27.569  376.540   30.761  352.978   30.450 23.56238 43.28322 
1 1 1    4   26    2 o  397.088   19.282  209.048   19.833  193.800   28.586  223.200   27.539  375.511   29.629  405.523   26.360 -30.01205 39.65811 
1 1 1    4   26    3 o  397.208   20.104  210.174   20.617  236.600   30.303  187.400   28.131  415.963   28.292  369.027   29.680 46.93555 41.00478 
1 1 1    4   26    4 o  212.286   33.414   63.840   17.767   57.000   26.072   69.770   24.276  190.015   51.628  215.144   45.007 -25.12883 68.49093 
1 1 1    4   26    5 o  191.035   35.521   52.603   16.930   48.830   26.169   55.320   22.203  174.871   53.102  190.249   45.640 -15.37788 70.02036 
1 1 1    4   26    6 o  526.744   18.372  368.047   25.067  346.900   36.312  387.300   34.648  502.963   27.982  534.987   25.002 -32.02490 37.52499 
1 1 1    4   26    7 o  425.955   19.217  241.502   21.203  234.300   29.786  248.900   30.190  412.546   28.040  425.707   27.526 -13.16064 39.29226 
1 1 1    4   26    8 o  139.888   35.201   28.819   12.745   29.740   17.429   27.760   18.684  139.805   43.497  135.748   45.300 4.057358 62.80180 
1 1 1    4   26    9 o  110.287   34.707   17.504   11.061   21.001   16.706   14.774   14.760  121.125   42.747  107.117   39.832 14.00790 58.42875 
1 1 1    4   26   10 f  144.245   30.424   30.057   11.010   28.187   16.681   31.501   14.655  135.428   42.622  144.064   38.525 -8.635849 57.45264 
1 1 1    4   26   11 o  110.280   32.950   17.793   10.136   13.071   14.866   21.895   13.855  103.067   39.604  120.902   38.931 -17.83466 55.53424 
1 1 1    4   26   12 o  169.289   27.836   40.825   11.782   16.588   17.997   59.004   15.586  112.277   43.456  202.336   30.703 -90.05980 53.20822 
1 1 1    4   26   13 o  204.528   23.305   57.968   12.126   44.817   18.243   68.378   16.231  167.656   42.074  218.316   29.453 -50.65932 51.35909 
1 1 1    4   26   14 o  157.478   28.863   36.017   11.340   42.090   16.827   30.965   15.349  162.912   40.138  139.413   40.255 23.49895 56.84627 
1 1 1    4   26   15 o  165.444   29.303   40.000   12.098   48.383   17.644   32.563   16.620  174.371   39.924  141.006   42.208 33.36551 58.09884 
1 1 1    4   26   16 o  100.895   34.429   15.001   10.795   30.323   17.319   5.2667   13.804  134.760   43.540   85.597   36.181 49.16301 56.61052 
1 1 1    4   26   17 o  256.652   18.024   89.533   11.906   71.303   17.621  104.849   16.151  218.176   32.143  273.908   22.976 -55.73242 39.51015 
1 1 1    4   26   18 o   76.289   35.353  -6.6277   16.616  -6.6277   16.616   0.0000   0.0000   76.289   35.353  ?   ?  0.000000 35.35317 
1 1 1    4   26   19 o   63.465   28.712  -2.6685   10.113 -13.0512   15.742   4.6278   13.196   68.099   32.428   81.868   35.016 -13.76900 47.72498 
1 1 1    4   26   20 o  150.760   27.406   33.897   10.308   49.290   15.783   22.448   13.612  174.689   36.075  115.724   38.666 58.96506 52.88120 
1 1 1    4   26   21 o   50.146   24.463 -15.4507   10.364  -7.5460   23.793 -17.3015   11.513   85.883   40.593   52.392   25.608 33.49102 47.99556 
1 1 1    4   26   22 o   71.556   29.858   4.5216   9.2134   10.270   25.434   3.6533   9.8848   99.951   45.345   71.425   30.421 28.52553 54.60430 
1 1 1    4   26   23 o   62.700   27.409   1.1164   8.4443   8.2630   22.896  -0.0087   9.0847   94.217   42.851   62.624   27.856 31.59354 51.10970 
1 1 1    4   26   24 o   70.260   27.895   6.0002   7.5774  -5.7040   21.105   7.7323   8.1187   79.456   37.753   75.378   29.184 4.077415 47.71756 
1 1 1    4   26   25 o   63.411   26.663   3.3757   7.4341 -12.3100   19.572   6.0203   8.0364   71.632   34.635   70.543   28.480 1.089050 44.84074 
1 1 1    4   26   26 o   85.097   28.283   11.792   7.2861  -1.2120   17.107   14.673   8.0530   75.159   35.175   93.418   29.638 -18.25929 45.99734 
1 1 1    4   26   27 o   54.140   25.282  -4.0940   8.7567   0.0000   0.0000  -4.0940   8.7567  ?   ?    54.140   25.282 0.000000 25.28234 
1 1 1    4   26   28 o   98.265   29.851   16.865   8.2683 -28.6400   18.309   28.523   9.2671   58.652   29.298  131.025   28.144 -72.37244 40.62607 
1 1 1    4   26   29 o   61.023   26.651   2.5107   7.9678 -14.7400   18.940   6.2203   8.7829   65.632   32.236   69.602   29.106 -3.970139 43.43222 
1 1 1    4   26   30 o   59.987   26.270   2.5280   7.7876   16.270   19.597  -0.0491   8.4864   87.487   39.734   57.397   26.099 30.09017 47.53859 
1 1 1    4   26   31 o   43.774   21.145  -7.4430   7.2508   13.120   19.190 -10.8675   7.8313   82.027   38.006   42.505   20.847 39.52203 43.34772 
1 1 1    4   26   32 o   63.301   26.656   5.4052   7.4480   10.380   19.994   4.6036   8.0256   77.428   36.777   62.494   27.024 14.93408 45.63797 
1 1 1    4   26   33 o   56.473   25.595   1.5726   8.0785 -16.7900   17.541   6.5160   9.1011   57.800   28.842   66.064   28.673 -8.263542 40.66904 
1 1 1    4   26   34 o   66.559   29.632   7.0815   10.303   39.910   19.675  -5.3208   12.093   99.906   42.744   55.490   26.924 44.41604 50.51660 
1 1 1    4   26   35 o   59.038   27.504   2.2568   10.264   13.820   21.398  -1.1992   11.698   72.927   35.483   57.395   27.500 15.53129 44.89147 
1 1 1    4   26   36 o   68.552   28.852   9.8500   8.7180   15.520   19.499   8.4334   9.7464   72.123   34.798   65.940   29.114 6.182457 45.37088 
1 1 1    4   26   37 o   45.178   21.850  -4.7669   7.8040   16.800   20.630  -8.3685   8.4304   70.154   34.287   43.504   21.396 26.65030 40.41529 
1 1 1    4   26   38 o   50.363   24.352  -2.2450   9.6802   0.0000   0.0000  -2.2450   9.6802  ?   ?    50.363   24.352 0.000000 24.35227 
1 1 1    4   26   39 o   54.596   26.791   0.7819   12.985  -2.7570   20.321   3.2240   16.881   56.564   28.592   57.774   28.742 -1.209946 40.54165 
1 1 1    4   27    0 o  169.574   27.319   40.420   11.592   40.975   17.013   39.938   15.838  163.876   40.347  162.933   38.191 0.9429016 55.55610 
1 1 1    4   27    1 o  242.645   19.733   79.281   12.295   48.715   18.246  104.703   16.641  179.012   40.319  276.999   23.412 -97.98697 46.62336 
1 1 1    4   27    2 o  190.038   24.831   49.974   11.931   49.889   17.597   50.046   16.231  182.263   38.481  184.561   35.236 -2.297714 52.17628 
1 1 1    4   27    3 o  130.574   33.002   25.083   11.168   46.736   16.706   7.5917   15.015  176.600   37.670   94.271   38.604 82.32906 53.93796 
1 1 1    4   27    4 o  189.761   23.968   49.715   11.518   31.378   18.299   61.747   14.823  141.466   44.656  209.542   28.011 -68.07600 52.71399 
1 1 1    4   27    5 o  187.445   24.219   48.650   11.484   41.697   18.529   52.986   14.634  162.699   43.231  192.390   30.373 -29.69057 52.83356 
1 1 1    4   27    6 o  102.991   34.776   15.005   11.012  -9.4622   16.717   33.761   14.636   76.451   35.439  148.715   37.888 -72.26403 51.87939 
1 1 1    4   27    7 o  123.992   31.621   22.706   10.188   19.754   15.522   24.940   13.504  116.222   41.183  127.756   38.001 -11.53349 56.03713 
1 1 1    4   27    8 o  194.638   23.808   52.616   11.753   77.567   18.938   36.986   14.989  230.624   32.611  155.092   37.682 75.53230 49.83408 
1 1 1    4   27    9 o   98.209   34.170   13.529   10.652   14.358   17.173   13.011   13.580  106.816   42.125  100.172   38.003 6.644485 56.73435 
1 1 1    4   27   10 o   70.290   30.425   0.7913   10.192  -3.0217   14.282   4.7481   14.549   76.144   34.314   87.129   37.003 -10.98497 50.46500 
1 1 1    4   27   11 o  138.031   31.201   28.473   10.893   27.069   16.952   29.460   14.217  129.143   43.149  136.309   38.546 -7.165955 57.85895 
1 1 1    4   27   12 o  217.272   22.741   65.766   12.609   57.509   19.223   72.001   16.705  189.539   40.389  222.141   29.780 -32.60240 50.18106 
1 1 1    4   27   13 o  175.555   24.261   43.686   10.738   52.222   16.142   36.911   14.381  184.199   35.113  152.925   36.759 31.27382 50.83464 
1 1 1    4   27   14 o  218.721   21.025   66.328   11.765   75.707   19.754   61.174   14.645  221.228   35.686  204.661   28.391 16.56702 45.60185 
1 1 1    4   27   15 o  246.188   19.436   83.360   12.294   77.596   18.586   87.844   16.392  226.124   32.680  247.279   25.980 -21.15527 41.74829 
1 1 1    4   27   16 o  102.410   34.378   16.233   10.761   49.701   17.536  -3.9830   13.629  172.856   39.963   71.526   32.734 101.3301 51.65778 
1 1 1    4   27   17 o  102.405   33.483   16.436   10.227   0.4723   16.287   26.825   13.139   81.823   36.780  126.945   37.417 -45.12167 52.46658 
1 1 1    4   27   18 o  206.644   21.425   60.388   11.302   50.290   17.195   68.070   14.996  172.097   39.419  213.749   27.739 -41.65215 48.20057 
1 1 1    4   27   19 o  116.404   36.462   23.002   12.224   29.570   24.893   20.915   14.032  121.256   49.686  110.173   39.146 11.08231 63.25401 
1 1 1    4   27   20 o   85.467   33.858   10.051   11.141   20.680   16.147   0.3934   15.391  107.729   41.303   77.733   35.269 29.99649 54.31232 
1 1 1    4   27   21 o   68.185   28.478   4.1533   8.3930   19.808   11.379 -14.5261   12.430  106.809   35.338   56.222   27.283 50.58678 44.64439 
1 1 1    4   27   22 o  108.037   32.476   19.932   9.8239   40.670   22.282   14.929   10.945  130.807   48.882   93.976   34.414 36.83144 59.78141 
1 1 1    4   27   23 o   51.255   24.258  -6.4214   8.5478 -19.5300   22.545  -4.2206   9.2375   71.752   35.228   56.081   26.114 15.67164 43.85166 
1 1 1    4   27   24 o   55.286   25.544  -2.9867   8.5809   3.3350   21.150  -4.2323   9.3883   83.203   38.995   56.086   26.187 27.11631 46.97197 
1 1 1    4   27   25 o   38.173   19.106 -18.6214   7.9646   0.0000   0.0000 -18.6214   7.9646  ?   ?    38.173   19.106 0.000000 19.10598 
1 1 1    4   27   26 o   63.472   27.614   2.9863   8.4825 -44.5800   21.514   11.742   9.2303   57.959   29.312   82.822   31.353 -24.86362 42.92047 
1 1 1    4   27   27 o   85.037   29.605   12.707   7.9966   44.830   21.350   7.4656   8.6244  124.456   47.546   71.917   29.331 52.53920 55.86567 
1 1 1    4   27   28 o   77.463   29.649   10.297   8.3114   15.090   20.827   9.3888   9.0644   86.491   39.904   75.528   30.333 10.96239 50.12436 
1 1 1    4   27   29 o   58.250   26.111   1.4440   8.1485 -28.2900   19.410   7.8059   8.9780   58.109   29.188   71.087   29.552 -12.97815 41.53648 
1 1 1    4   27   30 f   63.003   26.096   5.4684   6.9642 -16.1800   19.234   8.7347   7.4711   61.753   30.715   71.299   27.886 -9.545700 41.48526 
1 1 1    4   27   31 o   60.673   25.603   4.8857   6.8942  -2.3700   17.761   6.1729   7.4808   65.908   32.125   64.156   26.849 1.752266 41.86699 
1 1 1    4   27   32 o   55.225   25.220   1.2651   8.0344  -8.3030   17.830   3.7029   8.9999   61.140   30.264   60.449   27.240 0.6913147 40.71770 
1 1 1    4   27   33 o   53.465   25.714  -3.4676   10.449 -51.9400   19.736   15.411   12.316   47.996   24.600   77.389   33.471 -29.39330 41.53923 
1 1 1    4   27   34 o   45.813   22.674 -11.1530   9.9975  -9.4980   20.194 -11.6904   11.507   59.957   30.069   48.547   24.080 11.40977 38.52228 
1 1 1    4   27   35 o   44.092   21.649  -8.0861   8.5184  -4.2170   18.453  -9.1339   9.6028   59.641   29.732   45.786   22.579 13.85500 37.33332 
1 1 1    4   27   36 o   46.405   22.598  -5.1429   8.7305  -8.1480   20.051  -4.4398   9.6981   57.512   28.989   48.870   23.802 8.641541 37.50875 
1 1 1    4   27   37 o   39.121   19.702 -16.1148   9.1499   0.0000   0.0000 -16.1148   9.1499  ?   ?    39.121   19.702 0.000000 19.70186 
1 1 1    4   27   38 o   48.954   24.413  -6.4223   12.489 -23.8400   17.412   12.030   17.922   47.407   24.204   60.838   30.155 -13.43102 38.66729 
1 1 1    4   28    0 o  141.118   29.358   29.166   10.382   42.331   16.748   20.951   13.230  163.623   39.880  116.970   38.076 46.65344 55.13795 
1 1 1    4   28    1 o  119.519   35.073   21.791   11.568   28.004   16.891   16.302   15.875  131.861   43.027  108.408   41.098 23.45330 59.50087 
1 1 1    4   28    2 o  104.586   36.154   15.929   11.916   8.6485   18.157   21.437   15.793   98.980   41.647  118.223   41.580 -19.24352 58.85037 
1 1 1    4   28    3 o  116.449   34.819   20.660   11.315   1.1642   17.768   33.960   14.675   88.714   39.233  146.992   38.195 -58.27841 54.75454 
1 1 1    4   28    4 o  303.856   16.841  124.015   13.203  130.834   19.368  118.094   18.047  306.027   24.642  291.083   24.153 14.94400 34.50502 
1 1 1    4   28    5 o  221.233   20.890   67.299   11.830   76.708   19.591   61.900   14.841  225.749   34.607  207.186   28.401 18.56317 44.76859 
1 1 1    4   28    6 o  258.471   19.262   91.038   12.804   82.623   20.097   96.787   16.612  234.456   34.091  262.446   24.727 -27.98993 42.11401 
1 1 1    4   28    7 o  182.989   24.479   47.388   11.312   40.505   16.557   53.413   15.491  157.949   40.328  188.411   32.942 -30.46228 52.07236 
1 1 1    4   28    8 o  158.363   29.167   36.999   11.524   44.081   17.631   31.717   15.227  163.429   41.554  139.215   40.065 24.21442 57.72338 
1 1 1    4   28    9 o  195.087   24.183   53.932   11.959   44.917   17.875   61.236   16.090  164.162   41.896  202.140   31.778 -37.97798 52.58430 
1 1 1    4   28   10 o  215.532   20.859   64.449   11.500   57.474   16.525   70.997   16.013  193.196   34.277  220.049   28.782 -26.85307 44.75859 
1 1 1    4   28   11 o  139.276   31.058   29.605   10.919   47.132   17.648   18.734   13.899  168.018   40.928  109.156   38.940 58.86130 56.49314 
1 1 1    4   28   12 o   57.721   26.840  -6.0884   9.7035  -9.4151   15.665  -4.0171   12.361   71.080   33.392   68.246   31.211 2.833916 45.70736 
1 1 1    4   28   13 o  104.176   32.738   16.956   9.8457   28.366   16.933   11.129   12.102  126.947   43.121   91.207   35.542 35.73950 55.88083 
1 1 1    4   28   14 o  149.697   29.921   34.283   11.197   16.449   17.977   45.586   14.312  104.809   42.497  169.853   33.718 -65.04443 54.24868 
1 1 1    4   28   15 o  171.022   25.618   43.038   10.999   57.306   17.294   33.345   14.254  186.482   37.107  139.780   38.254 46.70192 53.29451 
1 1 1    4   28   16 o   87.418   34.330   10.495   11.361   28.620   26.077   6.2493   12.621  119.849   50.139   81.491   34.529 38.35799 60.87804 
1 1 1    4   28   17 o   85.864   37.176   7.0815   15.225   29.050   25.506  -5.0800   18.977  118.377   49.560   78.857   36.952 39.52064 61.81963 
1 1 1    4   28   18 o   63.984   29.291  -2.5888   10.924   1.1143   14.921  -6.8670   16.037   77.047   34.864   71.206   33.555 5.840599 48.38857 
1 1 1    4   28   19 o   66.190   29.259   1.2800   9.8720   0.3545   15.117   1.9681   13.035   75.638   34.563   73.847   33.070 1.791206 47.83512 
1 1 1    4   28   20 o   64.176   27.814   2.3400   8.5400  -0.8057   11.800   5.7994   12.375   67.135   30.623   77.230   33.477 -10.09497 45.36992 
1 1 1    4   28   21 f  104.616   31.468   18.949   9.2216   0.9070   13.629   34.184   12.524   71.964   32.858  137.846   35.008 -65.88247 48.01273 
1 1 1    4   28   22 o   47.095   23.135 -14.6151   9.7641  -9.1320   18.751 -16.6550   11.437   70.677   34.106   50.512   24.858 20.16435 42.20337 
1 1 1    4   28   23 o   81.878   31.855   11.176   9.7093   0.0000   0.0000   11.176   9.7093  ?   ?    81.878   31.855 0.000000 31.85484 
1 1 1    4   28   24 o  104.418   38.679   23.670   13.891   0.0000   0.0000   23.670   13.891  ?   ?   104.418   38.679 0.000000 38.67878 
1 1 1    4   28   25 o   58.476   26.746  -0.5720   9.0812 -13.6700   20.290   2.7088   10.155   67.540   33.212   65.423   29.251 2.117264 44.25672 
1 1 1    4   28   26 o   61.126   26.612   3.1139   7.8888   15.770   20.491   0.9115   8.5476   86.549   39.803   58.850   26.531 27.69956 47.83473 
1 1 1    4   28   27 o   70.311   28.574   7.7872   8.1479   10.790   19.871   7.1803   8.9335   80.266   37.676   69.678   29.260 10.58712 47.70322 
1 1 1    4   28   28 o   46.251   22.256  -6.5927   7.8520 -14.2500   17.918  -4.7729   8.7354   61.006   30.223   50.741   24.161 10.26456 38.69301 
1 1 1    4   28   29 o   36.708   18.294 -13.5542   6.9625 -34.0700   16.709  -9.2434   7.6591   50.010   25.352   42.593   20.833 7.417229 32.81346 
1 1 1    4   28   30 o   58.921   25.704   4.1080   7.3929   15.160   18.952   2.1245   8.0289   76.622   36.220   56.554   25.584 20.06859 44.34463 
1 1 1    4   28   31 o   44.948   21.855  -6.9515   8.0809  -7.4850   18.927  -6.8325   8.9364   61.140   30.419   47.257   22.978 13.88331 38.12250 
1 1 1    4   28   32 o   60.568   29.139   1.5898   13.441   6.8460   20.457  -2.4030   17.829   67.207   33.106   61.347   30.348 5.859764 44.91136 
1 1 1    4   28   33 o   46.497   22.575  -5.3376   8.5392 -15.0000   19.620  -3.0794   9.4847   56.216   28.378   50.528   24.351 5.688427 37.39372 
1 1 1    4   28   34 o   51.687   24.161   0.9534   8.0292  -8.6500   16.390   3.9857   9.2100   54.822   27.435   57.085   26.407 -2.262726 38.07852 
1 1 1    4   28   35 o   47.519   23.027  -3.2528   8.7744 -35.6800   20.193   4.2947   9.7422   48.829   25.018   56.653   26.524 -7.823395 36.46172 
1 1 1    4   28   36 o   49.693   23.925  -0.4003   9.1028   0.0000   0.0000  -0.4003   9.1028  ?   ?    49.693   23.925 0.000000 23.92520 
1 1 1    4   28   37 o   43.225   21.920 -17.4351   12.570 -26.7000   19.634 -11.0000   16.363   47.622   24.417   49.460   25.075 -1.838215 34.99921 
1 1 1    4   29    0 o  458.448   18.799  286.560   22.325   0.0000   0.0000  286.560   22.325  ?   ?   458.448   18.799 0.000000 18.79946 
1 1 1    4   29    1 o  194.323   24.821   54.005   12.208   56.428   18.608   52.175   16.177  185.799   39.858  182.493   35.499 3.306595 53.37389 
1 1 1    4   29    2 o  290.709   17.311  114.732   12.977  113.974   19.564  115.327   17.340  280.497   27.271  285.916   23.625 -5.419556 36.08115 
1 1 1    4   29    3 o  262.577   19.441   94.838   13.129  113.361   19.660   79.928   17.638  279.328   27.529  231.884   30.074 47.44392 40.77118 
1 1 1    4   29    4 o  204.988   22.954   59.367   11.979   71.610   17.982   49.599   16.062  216.307   33.151  176.705   36.306 39.60161 49.16394 
1 1 1    4   29    5 o  104.629   35.395   17.041   11.408   8.1606   17.630   23.436   14.962   94.308   40.408  118.698   40.534 -24.39011 57.23455 
1 1 1    4   29    6 o  121.126   33.071   23.109   10.667   4.0820   16.625   36.425   13.908   87.340   38.312  150.376   36.152 -63.03604 52.67585 
1 1 1    4   29    7 o  141.251   30.787   30.632   10.946   45.326   16.299   18.556   14.775  165.587   38.695  107.991   39.913 57.59612 55.59091 
1 1 1    4   29    8 o  167.016   27.225   41.259   11.372   42.966   17.600   40.035   14.900  156.848   42.336  156.110   37.348 0.7379913 56.45536 
1 1 1    4   29    9 o  112.266   34.350   20.313   10.921   24.402   16.520   17.139   14.555  118.441   42.432  104.339   39.402 14.10160 57.90498 
1 1 1    4   29   10 o  217.603   20.070   66.190   11.185   48.918   18.681   75.843   13.965  165.549   43.131  229.708   23.816 -64.15880 49.27012 
1 1 1    4   29   11 o  177.203   24.964   45.959   11.141   71.021   17.403   28.554   14.502  212.919   32.591  127.690   39.669 85.22873 51.33974 
1 1 1    4   29   12 o   82.526   32.452   8.8384   10.165   23.369   16.411  -0.2063   12.947  114.216   42.092   72.928   32.786 41.28738 53.35427 
1 1 1    4   29   13 o  122.982   31.965   24.516   10.276   37.825   16.993   16.842   12.903  142.100   42.712  100.982   37.304 41.11848 56.70861 
1 1 1    4   29   14 o  101.314   35.843   17.274   11.753   34.190   27.603   13.528   12.989  122.432   51.424   93.556   36.718 28.87576 63.18737 
1 1 1    4   29   15 o   96.852   38.811   15.392   14.803   18.620   25.601   13.770   18.144  104.687   46.651   96.113   41.082 8.574295 62.16118 
1 1 1    4   29   16 o   93.269   34.823   14.489   11.303   11.271   14.098   20.280   18.912   88.575   36.944  103.729   42.987 -15.15343 56.68123 
1 1 1    4   29   17 o  116.285   31.957   23.081   9.9233   28.810   15.923   19.444   12.689  118.564   41.745  102.677   37.137 15.88696 55.87331 
1 1 1    4   29   18 o   81.931   31.468   10.518   9.3834   2.6043   13.429   18.069   13.117   73.703   33.238   98.250   37.331 -24.54659 49.98394 
1 1 1    4   29   19 o   72.171   31.537   4.6993   11.170   0.0000   0.0000   4.6993   11.170  ?   ?    72.171   31.537 0.000000 31.53724 
1 1 1    4   29   20 f   70.368   29.692   5.7783   9.2708   19.448   13.868  -5.2675   12.466   97.782   38.063   61.931   29.306 35.85099 48.03760 
1 1 1    4   29   21 o  108.491   29.492   20.523   8.5055   18.499   12.383   22.330   11.703   95.840   36.306  105.534   35.849 -9.693146 51.02243 
1 1 1    4   29   22 o   69.951   30.868   4.8589   10.941   2.7240   13.580   8.8070   18.468   70.825   32.510   81.453   37.579 -10.62805 49.68918 
1 1 1    4   29   23 o   52.875   26.071 -16.0088   12.783 -33.2000   18.547  -0.4514   17.643   55.791   28.091   71.942   34.278 -16.15079 44.31772 
1 1 1    4   29   24 o   62.856   27.803   3.1563   8.9276   8.7760   16.551   0.8502   10.602   77.967   35.825   62.594   28.729 15.37260 45.92162 
1 1 1    4   29   25 o   81.367   31.578   12.833   9.5230 -11.6700   16.995   24.048   11.498   61.831   30.403  104.589   35.533 -42.75870 46.76473 
1 1 1    4   29   26 o   68.022   27.962   7.3814   7.9156   16.180   16.872   4.8983   8.9633   82.408   37.201   64.287   28.167 18.12088 46.66184 
1 1 1    4   29   27 o   37.494   18.621 -12.4757   6.9663 -23.5400   15.032  -9.4495   7.8615   51.076   25.660   42.989   21.043 8.086594 33.18499 
1 1 1    4   29   28 o   48.486   23.079  -3.7067   7.9564   24.680   17.556 -11.0445   8.9257   86.056   38.469   44.282   21.824 41.77466 44.22816 
1 1 1    4   29   29 o   48.621   23.081  -2.8064   7.8540  -5.4210   18.503  -2.2318   8.6742   61.575   30.541   51.155   24.276 10.41957 39.01387 
1 1 1    4   29   30 o   36.510   18.508 -22.5767   8.8994 -35.4800   19.118 -19.0071   10.055   50.282   25.645   41.200   20.737 9.081425 32.97961 
1 1 1    4   29   31 o   60.293   29.035   3.1156   13.425 -18.5200   20.356   19.770   17.860   55.414   28.080   73.309   34.802 -17.89509 44.71760 
1 1 1    4   29   32 o   57.948   26.447   4.9861   8.8178   10.040   20.264   3.8056   9.7936   64.929   32.162   57.180   26.714 7.749550 41.80916 
1 1 1    4   29   33 o   55.896   25.256   4.7688   7.7972  -4.0070   17.713   6.8779   8.6837   56.392   28.264   59.607   26.819 -3.214996 38.96294 
1 1 1    4   29   34 o   47.073   22.670  -1.7815   8.1868   5.9900   20.281  -3.2943   8.9482   59.523   29.890   46.950   22.866 12.57320 37.63339 
1 1 1    4   29   35 o   54.187   25.430   4.8756   9.0457   0.0000   0.0000   4.8756   9.0457  ?   ?    54.187   25.430 0.000000 25.42995 
1 1 1    4   29   36 o   61.005   28.910   14.172   12.216 -20.2900   20.770   32.400   15.106   48.521   24.895   73.809   34.029 -25.28819 42.16314 
1 1 1    4   30    0 o   75.131   31.677   4.5161   10.539  -9.4732   14.519   20.095   15.322   67.191   31.744  109.184   40.587 -41.99243 51.52617 
1 1 1    4   30    1 o   96.355   34.488   14.395   10.911   0.7578   16.064   26.076   14.867   80.820   36.409  121.774   40.397 -40.95382 54.38333 
1 1 1    4   30    2 o  130.561   32.222   27.187   10.831   28.000   15.041   26.312   15.609  125.764   40.570  121.511   41.401 4.252075 57.96524 
1 1 1    4   30    3 o  129.238   33.767   27.182   11.429  -1.3846   16.513   53.449   15.834   79.172   36.156  181.945   34.867 -102.7735 50.22904 
1 1 1    4   30    4 o  292.811   17.104  117.577   12.917  117.003   18.580  118.113   17.969  282.578   25.664  285.306   24.553 -2.728760 35.51770 
1 1 1    4   30    5 o  156.100   29.172   37.432   11.362   27.814   16.722   45.680   15.485  122.832   42.808  165.031   37.123 -42.19912 56.66256 
1 1 1    4   30    6 o  224.206   21.187   71.354   12.159   83.136   19.073   63.287   15.782  228.758   33.154  201.319   31.279 27.43916 45.57986 
1 1 1    4   30    7 o  183.871   23.356   49.141   10.873   39.111   15.905   57.942   14.898  147.750   40.398  192.518   30.923 -44.76799 50.87468 
1 1 1    4   30    8 f  128.948   33.664   27.562   11.365   54.111   17.866   9.5178   14.729  174.819   40.283   88.777   37.441 86.04167 54.99572 
1 1 1    4   30    9 o  147.648   28.117   33.680   10.361   31.930   15.978   34.950   13.610  129.949   41.804  142.223   36.698 -12.27350 55.62606 
1 1 1    4   30   10 o   77.184   33.127   5.1747   11.884 -26.6200   24.090   15.401   13.662   73.034   35.967   96.892   37.762 -23.85818 52.14941 
1 1 1    4   30   11 o  148.535   40.047   40.823   15.759   31.450   23.922   48.010   20.947  118.350   48.626  149.228   47.849 -30.87788 68.22051 
1 1 1    4   30   12 o  196.465   28.599   60.562   14.127   61.990   19.314   58.920   20.716  181.107   41.989  169.553   46.000 11.55399 62.28206 
1 1 1    4   30   13 o  124.372   34.253   27.161   11.386   33.532   16.199   20.940   16.007  128.310   42.150  104.070   40.786 24.24082 58.65277 
1 1 1    4   30   14 o  135.826   30.771   30.809   10.575   52.223   17.240   17.889   13.391  164.393   40.701   98.271   37.628 66.12177 55.42965 
1 1 1    4   30   15 o  128.023   29.124   27.114   9.4403   28.079   14.494   26.403   12.441  116.954   39.894  117.476   36.783 -0.5213699 54.26313 
1 1 1    4   30   16 o  138.321   27.776   31.199   9.6063   31.566   16.005   30.993   12.010  119.440   41.866  129.263   35.006 -9.822502 54.57262 
1 1 1    4   30   17 o  107.559   31.882   20.922   9.5172   27.694   13.803   14.783   13.141  114.491   38.932   89.169   36.268 25.32243 53.20778 
1 1 1    4   30   18 o   77.877   30.647   9.8854   9.0717   17.015   14.431   5.2274   11.665   91.523   37.705   71.991   31.815 19.53217 49.33396 
1 1 1    4   30   19 o   57.697   26.867  -2.4603   9.7786   13.030   18.132  -8.8135   11.612   85.162   38.494   55.717   26.875 29.44511 46.94711 
1 1 1    4   30   20 o  102.592   35.109   21.812   11.226   11.410   14.750   36.130   17.305   81.133   35.820  117.142   43.215 -36.00892 56.13011 
1 1 1    4   30   21 o   50.666   24.660 -10.2843   10.358 -15.0647   13.030  -2.0800   17.070   53.547   26.386   69.089   33.133 -15.54200 42.35622 
1 1 1    4   30   22 o   69.531   28.689   7.4509   8.3707   6.3198   11.799   8.5968   11.877   70.734   31.585   74.033   32.431 -3.298203 45.26947 
1 1 1    4   30   23 o   67.892   29.959   5.9695   10.305  -4.5440   18.863   10.443   12.304   67.415   32.913   75.865   33.127 -8.450745 46.69756 
1 1 1    4   30   24 o   91.028   33.569   18.510   10.440   31.540   18.819   12.717   12.548   97.244   41.710   77.913   33.741 19.33070 53.64856 
1 1 1    4   30   25 o   43.657   21.381  -9.4777   8.1463 -40.1300   17.685  -1.2219   9.1780   49.264   25.084   54.701   25.653 -5.436798 35.87857 
1 1 1    4   30   26 o   67.330   29.092   8.0655   9.2864 -23.4100   18.373   18.866   10.762   54.805   27.640   87.277   33.654 -32.47205 43.54962 
1 1 1    4   30   27 o   68.014   28.738   9.1983   8.7035   0.5168   19.030   11.494   9.7871   64.407   31.766   71.951   30.442 -7.544594 43.99765 
1 1 1    4   30   28 o   60.409   26.750   5.7508   8.2862 -10.0300   19.592   9.1885   9.1443   58.558   29.402   66.575   28.817 -8.016232 41.16925 
1 1 1    4   30   29 o   69.889   31.980   13.707   13.001   7.5580   20.362   17.940   16.893   64.809   32.127   71.691   33.980 -6.881706 46.76283 
1 1 1    4   30   30 o   45.530   22.540  -8.9867   9.9003 -13.2900   20.016  -7.5930   11.391   55.244   27.977   49.022   24.252 6.221706 37.02538 
1 1 1    4   30   31 o   54.661   25.117   3.9548   8.1368 -16.2100   19.846   8.0292   8.9210   53.180   27.028   61.048   27.346 -7.867569 38.44888 
1 1 1    4   30   32 o   41.996   20.546  -5.4190   7.4636   19.240   16.676 -11.5957   8.3462   66.830   32.228   39.418   19.703 27.41218 37.77394 
1 1 1    4   30   33 o   64.473   27.128   10.988   7.7042  -2.9300   20.321   13.324   8.3258   54.585   27.701   68.121   28.400 -13.53540 39.67289 
1 1 1    4   30   34 o   43.501   21.506  -5.1314   8.9034   0.0000   0.0000  -5.1314   8.9034  ?   ?    43.501   21.506 0.000000 21.50611 
1 1 1    4   31    0 o   88.410   35.390   11.566   12.294 -22.0100   22.819   25.297   14.593   72.874   35.710  115.957   40.014 -43.08280 53.63176 
1 1 1    4   31    1 o  105.655   36.500   19.668   12.144   32.640   20.539   12.695   15.059  122.935   46.713   92.345   38.321 30.58968 60.42029 
1 1 1    4   31    2 o  197.795   27.413   60.141   13.667   53.110   24.224   63.424   16.553  150.025   51.566  195.539   33.911 -45.51349 61.71741 
1 1 1    4   31    3 o  247.445   20.961   88.011   13.309   88.590   23.801   87.748   16.054  215.846   44.060  240.665   26.174 -24.81866 51.24818 
1 1 1    4   31    4 o  190.531   28.545   56.753   13.654   41.210   24.063   64.134   16.582  130.611   50.334  196.263   33.840 -65.65251 60.65199 
1 1 1    4   31    5 o  167.017   38.203   49.996   16.169   66.050   25.527   39.240   20.895  166.312   52.770  131.811   47.659 34.50053 71.10545 
1 1 1    4   31    6 o  140.644   39.885   37.474   15.200   53.710   24.948   27.890   19.168  146.228   52.170  114.518   44.701 31.70930 68.70167 
1 1 1    4   31    7 o  211.913   31.502   73.468   16.766   58.700   27.123   82.600   21.329  147.129   54.130  211.516   40.402 -64.38693 67.54573 
1 1 1    4   31    8 o  238.786   23.066   84.757   14.089   79.808   18.379   91.810   21.942  216.954   33.805  224.219   39.206 -7.265167 51.76815 
1 1 1    4   31    9 f  171.803   25.400   45.469   10.963   40.724   15.928   49.740   15.112  143.236   40.902  167.085   35.980 -23.84888 54.47486 
1 1 1    4   31   10 o   85.906   33.109   12.174   10.413   17.986   15.701   7.6099   13.913   97.021   39.574   80.658   35.223 16.36279 52.97827 
1 1 1    4   31   11 o   62.180   27.539   1.3596   8.7866  -0.0345   12.781   2.6091   12.100   68.760   31.553   70.796   31.771 -2.036873 44.77698 
1 1 1    4   31   12 o  136.328   29.139   31.054   9.9779   28.500   15.529   32.850   13.021  113.776   41.095  130.284   36.906 -16.50813 55.23414 
1 1 1    4   31   13 o  128.145   28.798   27.665   9.3260   23.616   13.022   31.930   13.363  106.842   37.736  125.575   37.905 -18.73299 53.48672 
1 1 1    4   31   14 o  114.680   31.806   23.934   9.7787   14.922   15.618   29.745   12.541   88.305   37.939  121.498   36.732 -33.19321 52.80725 
1 1 1    4   31   15 o  146.447   25.967   34.938   9.4896   52.903   15.270   23.634   12.113  164.678   36.732  106.373   36.469 58.30528 51.76119 
1 1 1    4   31   16 o   83.599   31.748   12.912   9.4839   26.644   14.659   3.0260   12.438  106.055   39.645   68.890   31.429 37.16573 50.59156 
1 1 1    4   31   17 o   69.400   30.143   6.0193   10.073   5.8350   19.481   6.0866   11.768   77.353   36.613   71.374   31.728 5.979652 48.44812 
1 1 1    4   31   18 o   65.063   29.528   2.8066   10.797   8.0580   14.559  -3.6090   16.093   75.394   34.244   66.288   31.889 9.105965 46.79278 
1 1 1    4   31   19 o   67.829   29.882   5.6647   10.212 -10.7669   12.756   34.990   17.041   55.170   26.963  110.753   42.438 -55.58303 50.27930 
1 1 1    4   31   20 o   44.919   21.872  -8.9317   8.1732 -19.8751   11.105   4.0036   12.073   45.380   22.691   66.989   30.713 -21.60865 38.18596 
1 1 1    4   31   21 o  120.973   27.040   26.058   8.2601   34.697   10.894   14.374   12.670  132.494   32.083   80.435   34.354 52.05879 47.00544 
1 1 1    4   31   22 o   41.929   20.649 -10.8773   7.9388  -5.1734   10.916 -17.2812   11.567   54.311   26.161   47.170   23.519 7.140495 35.17888 
1 1 1    4   31   23 o   50.028   24.269  -6.7149   9.8138  -9.0440   18.224  -5.7637   11.647   61.086   30.301   54.466   26.426 6.620461 40.20504 
1 1 1    4   31   24 o   67.110   29.006   8.3633   9.2371   30.050   19.054   1.7006   10.561   87.059   39.396   58.889   27.586 28.16985 48.09368 
1 1 1    4   31   25 o   72.659   30.991   12.556   10.285   32.550   19.329   4.6589   12.148   85.852   39.173   62.341   29.325 23.51120 48.93308 
1 1 1    4   31   26 o   57.455   27.034   2.6178   10.338  -4.8010   19.177   5.6572   12.274   59.656   29.827   62.044   29.274 -2.388718 41.79225 
1 1 1    4   31   27 o   64.700   30.185   9.6496   12.435   22.450   19.894   1.4430   15.930   71.845   34.781   59.444   29.269 12.40090 45.45773 
1 1 1    4   31   28 o   58.970   27.236   6.1411   9.7407 -10.2300   20.093   11.171   11.137   55.595   28.141   65.292   29.769 -9.697136 40.96458 
1 1 1    4   31   29 o   57.642   25.613   6.3567   7.6612  -8.1240   20.806   8.6281   8.2402   55.463   28.135   61.561   26.989 -6.098049 38.98652 
1 1 1    4   31   30 o   53.633   25.086   3.9053   8.6780 -28.4700   18.965   12.479   9.7596   47.825   24.484   65.420   28.996 -17.59453 37.95073 
1 1 1    4   31   31 o   98.915   31.230   26.845   8.9494   30.820   17.870   25.514   10.339   70.314   33.768   86.069   33.039 -15.75497 47.24256 
1 1 1    4   31   32 o   51.845   24.396   4.4281   8.4205   14.650   20.699   2.4011   9.2177   57.910   29.223   50.147   24.126 7.762951 37.89537 
1 1 1    4   31   33 o   65.300   29.994   19.533   11.587   0.0000   0.0000   19.533   11.587  ?   ?    65.300   29.994 0.000000 29.99367 
1 1 1    4   32    0 o  177.146   24.542   48.376   10.959   61.912   16.028   36.492   15.018  187.640   34.237  133.930   40.129 53.70992 52.74946 
1 1 1    4   32    1 o  112.032   33.859   22.931   10.658   17.509   15.512   27.780   14.668   95.340   39.162  115.253   40.097 -19.91330 56.04876 
1 1 1    4   32    2 o  163.931   26.891   42.819   11.023   51.181   16.436   35.983   14.860  162.101   39.504  132.987   39.934 29.11386 56.17203 
1 1 1    4   32    3 o   70.480   30.450   4.7266   10.171   7.8731   14.602   1.7609   14.176   80.766   35.649   72.914   33.375 7.852615 48.83384 
1 1 1    4   32    4 o  137.800   31.044   32.591   10.815   32.152   16.301   32.936   14.455  119.924   42.236  126.365   39.661 -6.441116 57.93835 
1 1 1    4   32    5 o  250.318   18.447   90.219   11.877   81.213   16.994   98.819   16.606  219.383   30.750  250.208   26.002 -30.82506 40.26956 
1 1 1    4   32    6 o  254.200   18.422   93.205   12.047  103.663   18.686   85.765   15.760  249.625   29.467  231.320   26.799 18.30486 39.83102 
1 1 1    4   32    7 o   61.043   27.587   0.3164   9.3085   4.5460   14.336  -2.7669   12.240   75.082   34.056   63.664   29.782 11.41867 45.24135 
1 1 1    4   32    8 f   65.558   29.185   2.5613   9.9926   20.141   15.535  -9.8451   13.051   96.408   39.349   58.694   28.356 37.71388 48.50102 
1 1 1    4   32    9 f   70.840   29.429   6.7785   8.8943 -15.3702   12.759   27.719   12.406   53.797   26.430  116.294   36.775 -62.49773 45.28742 
1 1 1    4   32   10 o   68.252   29.048   5.5733   9.0009   5.8853   14.041   5.3557   11.727   74.806   33.838   71.553   31.747 3.253189 46.39905 
1 1 1    4   32   11 o   93.872   32.141   16.889   9.4079   20.139   13.662   13.956   12.975   95.347   37.582   84.893   35.428 10.45346 51.64811 
1 1 1    4   32   12 o   94.216   32.081   17.236   9.3722   14.835   13.632   19.388   12.906   85.419   36.022   93.845   36.666 -8.425430 51.40036 
1 1 1    4   32   13 o   59.430   27.567  -0.8691   10.139   5.7300   20.266  -3.0720   11.709   77.170   36.760   60.144   28.443 17.02614 46.47879 
1 1 1    4   32   14 o   78.509   31.514   11.469   9.7784   18.050   18.764   9.0149   11.457   86.346   39.082   74.459   32.243 11.88692 50.66610 
1 1 1    4   32   15 o   68.782   31.757   4.0284   13.226   0.9979   19.973   6.3950   17.650   72.144   34.907   74.483   35.131 -2.339455 49.52476 
1 1 1    4   32   16 o   49.295   23.937  -8.5770   9.6111 -16.1228   11.246   11.860   18.508   47.892   23.764   78.511   36.694 -30.61907 43.71715 
1 1 1    4   32   17 o  115.718   30.920   26.152   9.4447   29.198   13.440   23.179   13.276  107.161   38.285   95.307   37.201 11.85448 53.38217 
1 1 1    4   32   18 o  120.030   28.978   27.038   8.9073   38.260   13.056   17.267   12.183  128.644   37.122   84.883   34.768 43.76048 50.86119 
1 1 1    4   32   19 o   92.063   29.964   17.330   8.1937   9.2547   10.422   30.402   13.259   70.874   30.721  107.013   38.049 -36.13850 48.90307 
1 1 1    4   32   20 o   83.689   29.972   14.858   8.2421   15.247   11.244   14.407   12.117   79.751   33.106   77.584   33.378 2.167328 47.01145 
1 1 1    4   32   21 o   49.905   23.662  -2.5365   8.2063   13.144   11.815 -17.1541   11.407   74.420   32.479   45.860   22.941 28.56029 39.76398 
1 1 1    4   32   22 f   53.675   24.842   1.0279   8.1666  -2.9039   11.546   4.9643   11.553   54.974   26.585   62.489   29.134 -7.514790 39.44054 
1 1 1    4   32   23 o   37.999   18.828 -10.2495   6.9621 -18.4527   9.1853   0.8262   10.673   39.071   19.684   56.201   26.745 -17.13027 33.20829 
1 1 1    4   32   24 o   47.503   23.339  -6.9689   9.9510 -13.2700   18.644  -4.4588   11.767   55.017   27.759   52.230   25.604 2.786766 37.76452 
1 1 1    4   32   25 o   47.831   23.519  -6.1084   10.171 -20.7600   18.683   0.0633   12.126   51.548   26.201   54.971   26.738 -3.422977 37.43513 
1 1 1    4   32   26 o   53.390   26.155  -0.8235   12.215   12.770   19.671  -9.3530   15.582   63.229   31.383   51.836   26.053 11.39309 40.78821 
1 1 1    4   32   27 o   72.405   31.051   17.297   10.427   14.150   20.097   18.456   12.196   62.139   30.985   70.617   31.777 -8.478340 44.38304 
1 1 1    4   32   28 o   54.606   25.476   5.1645   8.8574 -30.8500   19.426   14.617   9.9521   47.068   24.145   67.386   29.598 -20.31735 38.19719 
1 1 1    4   32   29 o   80.415   30.172   19.583   8.5058   17.380   18.809   20.149   9.5368   60.675   30.210   76.936   31.038 -16.26107 43.31259 
1 1 1    4   32   30 o   53.402   24.961   6.0230   8.5663   5.1710   18.551   6.2539   9.6577   54.127   27.356   53.770   25.546 0.3573112 37.42867 
1 1 1    4   32   31 o   54.693   25.825   8.5415   9.5858   0.0000   0.0000   8.5415   9.5858  ?   ?    54.693   25.825 0.000000 25.82497 
1 1 1    4   32   32 o   42.763   21.360  -4.3821   9.7285 -14.1400   22.694  -2.1852   10.768   47.150   24.273   45.020   22.486 2.129726 33.08763 
1 1 1    4   33    0 o  103.106   32.120   20.386   9.5006   30.962   13.720   10.644   13.169  117.316   38.803   79.427   34.481 37.88853 51.90972 
1 1 1    4   33    1 o  130.513   31.341   31.145   10.462   31.198   15.638   31.101   14.075  112.147   41.126  116.430   39.316 -4.283218 56.89543 
1 1 1    4   33    2 o  149.957   26.808   37.584   10.031   37.772   14.065   37.389   14.310  131.868   38.668  129.901   39.229 1.966995 55.08282 
1 1 1    4   33    3 o   86.638   32.208   14.431   9.6490   15.342   14.975   13.785   12.617   86.000   37.052   83.943   34.976 2.056221 50.95267 
1 1 1    4   33    4 o   83.951   31.380   13.261   9.1840  -0.0895   14.334   22.559   11.962   67.592   31.813  101.937   36.150 -34.34525 48.15507 
1 1 1    4   33    5 o   81.014   31.742   12.233   9.6927   18.862   15.177   7.6668   12.596   90.294   38.039   74.112   32.891 16.18243 50.28695 
1 1 1    4   33    6 o   96.400   32.564   18.572   9.6558   20.686   15.341   17.185   12.426   92.392   38.538   89.074   35.606 3.318024 52.46865 
1 1 1    4   33    7 o   72.015   30.349   8.1253   9.6664   10.734   14.238   5.8951   13.165   78.275   34.842   71.662   32.555 6.612640 47.68415 
1 1 1    4   33    8 o   81.657   33.268   13.324   11.079   39.090   22.538   5.1130   12.723  104.769   45.296   69.918   31.855 34.85178 55.37563 
1 1 1    4   33    9 o   57.334   26.592  -0.7636   9.4300  -2.0190   15.250   0.0136   11.999   65.549   31.404   62.894   29.443 2.655544 43.04797 
1 1 1    4   33   10 o   94.952   37.777   22.867   13.924   27.550   20.116   18.560   19.292   93.204   41.455   84.732   38.839 8.471725 56.80695 
1 1 1    4   33   11 o  147.707   37.573   48.095   14.410   55.230   20.679   41.360   20.090  128.236   47.252  108.961   44.641 19.27515 65.00439 
1 1 1    4   33   12 o   46.042   22.755 -13.4624   9.9413   3.0277   13.167 -35.3300   15.162   66.277   30.968   47.112   23.911 19.16522 39.12440 
1 1 1    4   33   13 o   96.555   32.396   20.011   9.5558   29.915   15.446   13.870   12.163  101.043   39.918   79.227   33.744 21.81657 52.26984 
1 1 1    4   33   14 o  105.072   30.586   22.253   8.8289   29.246   12.074   14.216   12.943  110.022   36.401   78.675   34.170 31.34631 49.92626 
1 1 1    4   33   15 f   57.708   25.910   2.6732   8.0581   4.4216   11.417   0.9378   11.374   64.502   29.681   60.541   28.445 3.960709 41.11088 
1 1 1    4   33   16 o   46.202   22.404  -6.8399   8.3418 -12.7061   11.554  -0.4521   12.056   49.259   24.379   59.524   28.354 -10.26489 37.39392 
1 1 1    4   33   17 o  102.474   28.444   20.791   7.8172   21.726   10.925   19.811   11.190   92.458   34.292   87.543   34.159 4.914879 48.40208 
1 1 1    4   33   18 o  117.686   29.591   28.122   9.0111   29.527   12.735   26.712   12.753  101.408   37.123   95.458   36.681 5.949806 52.18825 
1 1 1    4   33   19 o   73.121   28.757   11.717   7.9826   2.6193   11.645   19.783   10.964   59.735   28.284   85.001   33.616 -25.26612 43.93161 
1 1 1    4   33   20 o   66.115   27.603   9.0738   7.8812   10.754   10.710   7.0890   11.640   68.005   30.248   63.352   29.438 4.652756 42.20789 
1 1 1    4   33   21 o   55.989   25.207   4.2209   7.6858  -2.5571   10.556   11.868   11.212   51.924   25.184   67.892   30.517 -15.96851 39.56705 
1 1 1    4   33   22 f   46.793   22.448  -2.3332   7.8490   7.9198   11.949 -10.1152   10.410   61.686   29.037   45.502   22.626 16.18416 36.81157 
1 1 1    4   33   23 o   43.842   21.843 -10.3001   9.8991 -36.1900   18.242   0.5065   11.785   46.177   23.667   53.925   26.259 -7.748177 35.35032 
1 1 1    4   33   24 o   56.687   27.628   4.6471   13.130   1.3300   18.956   7.7060   18.203   56.813   28.579   59.311   29.561 -2.498112 41.11734 
1 1 1    4   33   25 o   42.627   21.560 -16.3775   11.654 -30.2400   19.060  -8.1010   14.727   46.824   24.012   49.762   25.052 -2.938038 34.70109 
1 1 1    4   33   26 o   45.544   22.634  -5.8921   10.360  -2.7930   19.652  -7.0848   12.192   53.319   27.078   47.070   23.571 6.248516 35.89957 
1 1 1    4   33   27 o   43.664   21.862  -8.2863   10.473 -27.0000   18.923  -0.0218   12.575   45.928   23.578   50.411   25.033 -4.482925 34.38853 
1 1 1    4   33   28 o   44.559   22.099  -3.8804   9.6789 -17.2900   17.207   2.3262   11.706   46.061   23.561   50.326   24.839 -4.265644 34.23561 
1 1 1    4   33   29 f   44.969   21.583   1.0362   7.2746  -0.9699   16.204   1.5426   8.1412   49.159   24.925   46.362   22.397 2.797543 33.50996 
1 1 1    4   33   30 o   47.428   23.067   3.3910   9.0206   0.0000   0.0000   3.3910   9.0206  ?   ?    47.428   23.067 0.000000 23.06732 
1 1 1    4   33   31 o   50.837   26.059   20.060   22.207   20.060   22.207   0.0000   0.0000   50.837   26.059  ?   ?  0.000000 26.05943 
1 1 1    4   34    0 o  105.537   35.589   25.884   11.533   18.827   14.234   39.370   19.678   85.896   36.543  105.321   43.764 -19.42432 57.01486 
1 1 1    4   34    1 o   73.190   30.787   9.9240   9.9175   14.439   12.500   2.2530   16.293   80.378   34.221   68.262   32.639 12.11596 47.29049 
1 1 1    4   34    2 o  116.421   34.542   29.541   11.168   31.345   13.638   25.870   19.455  110.176   38.645   89.378   40.185 20.79772 55.75140 
1 1 1    4   34    3 o   93.201   34.805   20.500   11.292   16.256   13.681   29.570   20.001   82.211   35.417   92.379   41.195 -10.16747 54.32688 
1 1 1    4   34    4 o   79.701   32.081   13.495   10.164   9.9169   12.351   21.000   17.887   73.271   32.541   85.033   38.353 -11.76233 50.29776 
1 1 1    4   34    5 o   72.764   31.828   9.8736   11.402   14.274   13.903   0.8338   19.927   78.807   34.785   69.232   33.807 9.575531 48.50701 
1 1 1    4   34    6 o  108.522   36.571   28.777   12.178   29.567   15.181   27.350   20.397   99.999   39.552   88.320   40.276 11.67902 56.44933 
1 1 1    4   34    7 o   86.963   31.370   16.294   9.0453   10.496   14.679   19.843   11.485   73.547   33.774   89.931   34.741 -16.38411 48.45189 
1 1 1    4   34    8 o  153.800   26.293   41.892   10.098   44.530   14.665   39.514   13.926  131.729   39.698  124.255   38.917 7.473480 55.59178 
1 1 1    4   34    9 o   99.925   31.706   21.494   9.2158   35.493   12.987   7.2939   13.080  118.904   37.629   68.736   31.681 50.16805 49.18975 
1 1 1    4   34   10 o   63.424   28.062   5.6430   9.1015   15.890   13.338  -3.2846   12.450   79.004   34.494   57.651   27.813 21.35336 44.31038 
1 1 1    4   34   11 o   61.198   26.818   5.0976   8.1280  -0.8822   12.291   9.7456   10.836   59.116   28.288   70.283   30.877 -11.16652 41.87628 
1 1 1    4   34   12 o   48.414   23.062  -3.4101   7.9774  -3.5706   10.511  -3.1920   12.251   53.619   25.789   56.720   27.419 -3.101486 37.64122 
1 1 1    4   34   13 o   87.314   31.102   17.487   8.8636   20.737   12.667   14.370   12.407   84.917   35.185   75.265   33.054 9.652596 48.27583 
1 1 1    4   34   14 o   87.843   30.580   17.603   8.5319   11.222   11.368   25.834   12.911   70.396   31.244   92.230   36.477 -21.83379 48.02859 
1 1 1    4   34   15 o   85.648   29.798   16.634   8.1005   8.4913   10.652   27.803   12.475   65.763   29.635   96.118   36.434 -30.35461 46.96407 
1 1 1    4   34   16 o  114.330   29.519   27.677   8.8025   24.120   12.445   31.237   12.452   87.314   35.374  101.705   36.789 -14.39075 51.03712 
1 1 1    4   34   17 f   79.497   30.025   15.621   8.4531   13.545   12.240   17.515   11.688   69.894   31.607   76.151   32.771 -6.256706 45.52984 
1 1 1    4   34   18 o   41.571   20.260  -5.7807   7.0596  -9.7872   10.049  -1.8771   9.9193   45.284   22.469   51.116   24.701 -5.831551 33.39124 
1 1 1    4   34   19 o   58.547   25.989   6.5125   7.8679   1.3618   11.641   10.844   10.676   54.977   26.613   64.580   29.329 -9.603931 39.60337 
1 1 1    4   34   20 o   54.105   24.741   4.3283   7.7627  -9.7274   11.947   14.597   10.212   47.201   23.591   69.130   30.183 -21.92823 38.30836 
1 1 1    4   34   21 o   54.257   25.486   4.4132   9.1202   3.7650   17.965   4.6383   10.586   56.999   28.553   55.234   26.381 1.765884 38.87492 
1 1 1    4   34   22 o   48.609   24.274  -5.5942   12.524 -34.7400   18.387   19.630   17.106   44.965   23.092   63.673   31.141 -18.70883 38.76873 
1 1 1    4   34   23 o   58.102   26.846   9.1303   9.4782   10.874   11.826   5.9990   15.848   58.913   28.068   55.273   27.554 3.640308 39.33280 
1 1 1    4   34   24 o   34.589   17.547 -16.9160   8.1016 -18.5155   11.230 -15.1802   11.699   39.916   20.291   41.917   21.245 -2.001667 29.37831 
1 1 1    4   34   25 o   48.257   23.072   2.4858   8.1388   44.690   20.106  -5.7846   8.9006   68.667   33.621   42.134   20.947 26.53214 39.61237 
1 1 1    4   34   26 o   60.022   27.961   14.671   10.608   9.0530   19.302   17.102   12.698   52.938   26.879   59.693   28.614 -6.754986 39.25850 
1 1 1    4   34   27 o   38.054   19.238 -11.7541   9.2179 -24.7900   17.369  -6.6428   10.876   42.689   21.938   42.741   21.519 -0.5257416E-01 30.73045 
1 1 1    4   34   28 o   46.899   23.525   2.0541   12.395   0.0000   0.0000   2.0541   12.395  ?   ?    46.899   23.525 0.000000 23.52517 
1 1 1    4   34   29 o   42.872   21.792  -4.9151   12.942 -12.6600   19.639   1.0300   17.206   43.742   22.522   45.989   23.527 -2.247070 32.56917 
1 1 1    4   35    0 o   57.858   26.359   2.9773   8.7100   0.3596   12.421   5.5098   12.217   59.587   28.493   64.423   30.010 -4.835693 41.38187 
1 1 1    4   35    1 o   83.390   30.243   15.487   8.4232   16.228   11.814   14.721   12.013   78.895   33.416   76.293   33.026 2.602112 46.98296 
1 1 1    4   35    2 o   55.687   25.532   1.8847   8.3432   12.063   12.352  -6.6541   11.314   72.234   32.281   52.193   25.484 20.04013 41.12740 
1 1 1    4   35    3 o   44.251   21.713  -8.9452   8.5224 -18.7068   11.982   1.0507   12.125   46.046   23.102   59.740   28.451 -13.69396 36.64880 
1 1 1    4   35    4 o   58.179   26.558   3.1806   8.8973  -2.0331   12.263   8.9757   12.929   57.114   27.566   68.164   31.445 -11.05034 41.81768 
1 1 1    4   35    5 o   75.351   30.203   12.860   8.9680  -4.5948   13.619   26.220   11.916   56.786   27.776   97.156   35.857 -40.36982 45.35637 
1 1 1    4   35    6 o  130.446   27.897   32.862   9.1410   37.645   13.165   28.410   12.702  116.671   37.982   98.262   36.870 18.40913 52.93447 
1 1 1    4   35    7 o   47.224   22.899  -5.6636   8.7129  -2.1122   12.997  -8.5621   11.742   57.366   27.852   50.994   25.112 6.371552 37.50141 
1 1 1    4   35    8 o  102.344   32.033   24.414   9.4366   31.315   14.004   18.674   12.771   97.381   38.154   79.347   34.201 18.03418 51.23927 
1 1 1    4   35    9 o   64.946   27.510   8.2475   8.0075   9.2943   11.028   7.0801   11.646   66.641   30.081   64.020   29.643 2.620308 42.23186 
1 1 1    4   35   10 o   73.899   29.983   13.130   8.9541   17.552   12.285   8.1182   13.078   76.953   33.356   65.008   30.530 11.94438 45.21835 
1 1 1    4   35   11 o   65.963   28.607   9.3967   9.0458   2.6195   12.528   16.778   13.075   59.127   28.363   74.053   33.144 -14.92677 43.62343 
1 1 1    4   35   12 o   58.435   25.847   5.5483   7.7156   6.4183   9.9078   4.2078   12.299   60.909   27.888   59.775   28.519 1.134762 39.88803 
1 1 1    4   35   13 o   43.449   21.252  -6.4007   7.9711   3.1530   10.679 -18.4225   11.979   56.993   27.014   44.334   22.354 12.65918 35.06390 
1 1 1    4   35   14 o   56.358   25.479   4.8769   7.9478  -0.7836   11.645   9.8122   10.874   53.760   26.162   63.847   29.227 -10.08688 39.22534 
1 1 1    4   35   15 o   49.917   23.250   1.4033   7.3291  -7.1738   10.046   11.165   10.717   46.302   22.882   64.638   29.367 -18.33593 37.22906 
1 1 1    4   35   16 o   60.053   26.241   7.9592   7.7333   0.3742   11.798   13.673   10.240   53.274   26.014   67.451   29.809 -14.17705 39.56376 
1 1 1    4   35   17 o   38.438   19.184 -10.4903   7.7765  -8.9699   11.460 -11.7879   10.587   46.255   23.116   43.401   21.767 2.853767 31.75118 
1 1 1    4   35   18 o   54.183   25.131   5.2880   8.4238  -3.5341   12.003   13.850   11.825   49.312   24.482   63.310   29.503 -13.99820 38.33783 
1 1 1    4   35   19 o   67.496   29.720   16.173   10.088   4.5920   17.680   21.764   12.284   55.028   27.670   70.416   31.769 -15.38841 42.12992 
1 1 1    4   35   20 o   55.887   26.419   8.1735   10.084   6.9939   12.005   11.000   18.583   54.663   26.592   56.379   28.352 -1.716740 38.87129 
1 1 1    4   35   21 o   58.235   26.289   10.028   8.4254  -2.8406   12.482   20.799   11.419   47.866   23.952   67.981   30.655 -20.11561 38.90228 
1 1 1    4   35   22 o   35.757   18.024 -12.0591   7.7553 -17.9842   12.217  -8.0606   10.037   40.650   20.712   42.026   21.093 -1.375759 29.56174 
1 1 1    4   35   23 o   44.308   21.637  -0.4324   8.1651   2.5743   12.192  -2.8778   10.995   49.095   24.425   45.332   22.653 3.763046 33.31260 
1 1 1    4   35   24 o   51.411   24.062   6.9956   8.0062   8.6703   10.793   4.9469   11.938   52.183   25.346   49.484   24.542 2.699219 35.28040 
1 1 1    4   35   25 o   39.123   19.735  -8.7115   9.3923 -22.0300   18.838  -4.3052   10.835   43.081   22.176   42.906   21.587 0.1750717 30.94729 
1 1 1    4   35   26 o   47.342   23.740   5.3715   12.574   0.0000   0.0000   5.3715   12.574  ?   ?    47.342   23.740 0.000000 23.74028 
1 1 1    4   35   27 o   43.618   22.373  -3.9000   16.653   0.0000   0.0000  -3.9000   16.653  ?   ?    43.618   22.373 0.000000 22.37323 
1 1 1    4   36    0 o  102.000   30.772   24.455   8.8084   34.589   12.884   15.561   12.070  103.187   37.407   72.022   32.067 31.16557 49.27042 
1 1 1    4   36    1 o   64.578   28.544   9.2462   9.3931   5.0942   13.963   12.679   12.695   60.910   29.403   67.926   31.272 -7.015827 42.92427 
1 1 1    4   36    2 o   41.402   20.600 -11.4360   8.6815 -13.7163   12.364  -9.2181   12.193   47.348   23.714   49.527   24.604 -2.178780 34.17135 
1 1 1    4   36    3 o   42.998   21.040  -6.5800   7.8362  -5.4646   12.180  -7.3678   10.236   51.736   25.497   47.465   23.388 4.271049 34.59912 
1 1 1    4   36    4 o   61.992   27.681   7.8215   9.0635  -1.1306   13.568   15.036   12.180   55.899   27.421   70.645   31.776 -14.74624 41.97152 
1 1 1    4   36    5 o   71.250   28.855   12.562   8.2767   27.850   12.346   0.0810   11.155   90.465   35.704   54.324   26.237 36.14040 44.30774 
1 1 1    4   36    6 o   52.036   24.464   1.2836   8.4347  -5.8291   12.107   7.9911   11.757   50.913   25.153   61.906   29.033 -10.99302 38.41339 
1 1 1    4   36    7 o   57.929   25.851   5.9478   7.8921   16.821   13.363   0.1234   9.7800   70.305   32.262   52.309   25.084 17.99609 40.86649 
1 1 1    4   36    8 o   89.982   30.985   21.200   8.7484   12.641   12.090   30.606   12.674   66.000   30.434   91.856   36.201 -25.85568 47.29399 
1 1 1    4   36    9 o   81.386   30.053   17.662   8.3732   20.673   11.274   13.958   12.504   77.930   32.806   66.555   30.781 11.37440 44.98514 
1 1 1    4   36   10 o   51.664   24.381   1.9050   8.5210   8.4601   11.730  -5.4198   12.399   60.371   28.525   50.206   24.919 10.16508 37.87634 
1 1 1    4   36   11 o   71.788   29.325   14.724   8.6374   36.444   12.298  -6.4230   12.134  101.831   36.596   48.869   24.321 52.96212 43.94098 
1 1 1    4   36   12 o   77.334   32.156   21.132   10.634   0.0000   0.0000   21.132   10.634  ?   ?    77.334   32.156 0.000000 32.15608 
1 1 1    4   36   13 o   87.291   30.077   21.117   8.2435   10.318   12.010   30.735   11.335   59.646   28.381   91.693   34.736 -32.04652 44.85598 
1 1 1    4   36   14 o   56.686   25.710   7.5469   8.1685  -1.1149   12.609   13.812   10.723   50.594   25.114   63.369   29.014 -12.77542 38.37355 
1 1 1    4   36   15 o   47.692   23.342  -0.7688   9.6637 -24.3400   18.183   8.5093   11.408   46.035   23.597   56.291   27.020 -10.25538 35.87287 
1 1 1    4   36   16 f   49.409   24.112   1.7048   10.094  -2.4320   17.805   3.6638   12.253   51.024   25.898   51.849   25.557 -0.8253822 36.38441 
1 1 1    4   36   17 o   41.203   20.641  -8.3075   9.3935   12.206   11.724 -45.0900   15.699   57.492   27.542   38.426   19.801 19.06649 33.92102 
1 1 1    4   36   18 o   70.279   30.707   22.172   10.587   5.0299   12.460   66.690   20.080   51.125   25.305   80.302   37.750 -29.17676 45.44737 
1 1 1    4   36   19 o   60.195   27.185   13.566   9.0200  -4.9122   12.250   35.446   13.330   45.103   22.725   76.059   33.792 -30.95611 40.72220 
1 1 1    4   36   20 f   47.940   22.918   4.1230   8.0248  -8.4572   10.661   20.568   12.189   41.451   20.924   61.181   28.959 -19.73045 35.72740 
1 1 1    4   36   21 o   41.440   20.555  -2.8869   8.3837   1.7698   11.320  -8.5430   12.476   46.648   23.260   42.615   21.635 4.033470 31.76609 
1 1 1    4   36   22 o   35.091   17.813 -13.3132   8.4427   6.7451   12.288 -31.2476   11.619   48.709   24.279   34.351   17.668 14.35734 30.02689 
1 1 1    4   36   23 o   38.606   19.314  -4.8411   8.0961  -5.5083   12.502  -4.3592   10.625   42.327   21.505   41.510   20.946 0.8165970 30.02015 
1 1 1    4   36   24 o   40.958   20.498  -1.6654   9.1593  -1.5550   16.154  -1.7178   11.119   43.929   22.498   42.178   21.300 1.750877 30.98127 
1 1 1    4   36   25 o   44.541   22.768   5.7930   15.820   0.0000   0.0000   5.7930   15.820  ?   ?    44.541   22.768 0.000000 22.76753 
1 1 1    4   36   26 o   33.092   17.085 -33.2567   12.718 -18.1400   18.004 -48.3100   17.967   39.019   20.151   35.189   18.249 3.829865 27.18638 
1 1 1    4   37    0 o   44.611   21.708  -3.0881   8.0145 -15.0609   10.848   11.298   11.892   41.932   21.160   61.145   28.839 -19.21285 35.76866 
1 1 1    4   37    1 o   56.126   25.657   6.4554   8.3406   5.6675   11.483   7.3352   12.134   55.907   26.906   57.432   27.644 -1.524334 38.57602 
1 1 1    4   37    2 o   46.217   22.259  -1.1876   7.8958  -9.8426   10.758   8.9184   11.625   44.371   22.208   58.775   27.953 -14.40315 35.70138 
1 1 1    4   37    3 o   49.101   23.430   1.0545   8.3084  -7.4431   11.097   11.895   12.534   46.114   22.999   61.083   29.044 -14.96905 37.04741 
1 1 1    4   37    4 o   47.769   22.926   0.0644   8.2055   7.6866   11.762  -7.1635   11.453   57.242   27.465   46.592   23.258 10.64976 35.98993 
1 1 1    4   37    5 o   51.394   23.969   3.6318   7.8294  -6.0186   11.138   13.057   11.008   46.681   23.243   62.745   28.970 -16.06444 37.14182 
1 1 1    4   37    6 o   57.667   26.119   8.1629   8.3967   17.622   11.685  -1.9375   12.074   66.923   30.505   49.806   24.698 17.11743 39.25004 
1 1 1    4   37    7 o   54.203   24.935   6.0333   8.0502   16.956   11.921  -3.1239   10.915   65.121   30.095   47.692   23.620 17.42848 38.25747 
1 1 1    4   37    8 o   45.242   22.074  -1.9589   8.4462   9.0132   12.143 -12.2429   11.756   56.658   27.367   43.528   21.972 13.12980 35.09624 
1 1 1    4   37    9 o   48.004   22.845   1.9288   7.7882   5.6483   10.750  -2.1797   11.298   53.309   25.749   47.922   23.786 5.386223 35.05415 
1 1 1    4   37   10 o   42.035   20.675  -3.9501   7.8776   10.612   11.537 -16.6710   10.783   56.968   27.299   39.678   20.141 17.28982 33.92440 
1 1 1    4   37   11 o   57.283   26.759   10.584   9.8231  -5.9420   16.586   19.513   12.191   48.679   24.737   64.138   29.911 -15.45819 38.81467 
1 1 1    4   37   12 o   54.965   25.920   9.0492   9.5995  -4.6060   18.067   14.420   11.331   49.087   25.026   59.185   27.986 -10.09715 37.54390 
1 1 1    4   37   13 o   53.718   26.413   9.8935   12.824   7.7840   18.771   11.740   17.561   52.120   26.468   53.562   27.015 -1.442032 37.81993 
1 1 1    4   37   14 f   51.035   25.855   6.7600   17.194   0.0000   0.0000   6.7600   17.194  ?   ?    51.035   25.855 0.000000 25.85457 
1 1 1    4   37   15 o   41.622   20.655  -3.3970   8.5048 -11.4750   12.317   3.9640   11.758   41.824   21.260   48.647   24.165 -6.822334 32.18620 
1 1 1    4   37   16 o   43.334   21.298  -0.2881   8.3095   6.4811   11.334  -8.1556   12.219   49.525   24.443   42.538   21.576 6.987076 32.60369 
1 1 1    4   37   17 o   45.146   21.892   2.5922   7.9643   14.059   10.429 -13.4491   12.336   55.426   26.393   40.306   20.561 15.12021 33.45685 
1 1 1    4   37   18 o   43.093   21.253   0.3831   8.5138  -3.5080   11.843   4.5450   12.248   43.167   21.821   47.074   23.580 -3.906693 32.12785 
1 1 1    4   37   19 o   82.655   31.821   31.023   9.6097   10.794   13.096   54.622   14.145   49.329   24.661   85.659   36.435 -36.32936 43.99629 
1 1 1    4   37   20 o   42.105   20.965   0.1244   9.0611   9.0522   12.783  -8.8907   12.846   47.584   23.872   40.628   20.747 6.955956 31.62782 
1 1 1    4   37   21 o   46.456   22.592   6.9935   8.6460   4.5090   12.195   9.5050   12.260   44.539   22.470   46.880   23.499 -2.340508 32.51324 
1 1 1    4   37   22 o   35.434   18.017  -9.7447   8.8922  -4.0320   12.294 -16.0129   12.878   40.351   20.579   37.298   19.162 3.053074 28.11867 
1 1 1    4   37   23 o   43.185   21.539   5.9609   9.7323   4.3648   12.058   8.9440   16.485   42.292   21.450   43.417   22.269 -1.124653 30.91931 
1 1 1    4   37   24 o   35.819   18.190  -5.4781   8.8630   11.392   12.512 -22.4713   12.557   43.636   22.100   34.118   17.587 9.517948 28.24431 
1 1 1    4   38    0 o   35.157   17.813 -14.3966   8.1748  -6.5608   11.418 -22.6378   11.709   43.886   22.090   38.050   19.461 5.836239 29.43937 
1 1 1    4   38    1 o   44.014   21.382  -0.2116   7.6917  -4.0750   10.503   4.2563   11.295   44.274   22.127   49.968   24.612 -5.694374 33.09586 
1 1 1    4   38    2 o   46.438   22.438   1.8213   8.1789  -4.0393   12.232   6.5604   11.000   45.697   22.983   51.519   25.149 -5.822086 34.06898 
1 1 1    4   38    3 o   54.637   25.952   9.8799   9.9567  -4.3940   17.055   17.261   12.264   47.931   24.426   59.420   28.385 -11.48880 37.44769 
1 1 1    4   38    4 o   41.704   20.785  -5.0092   8.9974 -16.9500   16.022   0.4904   10.874   43.807   22.433   46.979   23.320 -3.171680 32.35835 
1 1 1    4   38    5 o   51.876   24.844   7.4443   9.5247   20.590   15.433  -0.6426   12.105   57.657   28.469   46.814   23.449 10.84214 36.88263 
1 1 1    4   38    6 o   47.788   23.397   3.1178   9.7308   36.240   18.128 -10.2887   11.533   62.286   30.773   41.708   21.134 20.57793 37.33152 
1 1 1    4   38    7 o   51.446   25.176   8.2029   11.229   25.410   18.638  -1.6030   14.070   56.354   28.347   46.739   23.645 9.614574 36.91397 
1 1 1    4   38    8 o   43.215   21.851  -6.3790   11.918 -19.4700   17.049   6.1310   16.666   42.961   22.070   49.636   25.179 -6.674156 33.48209 
1 1 1    4   38    9 o   49.196   23.767   6.0886   9.1685   2.6443   11.050   13.700   16.426   46.920   23.328   51.879   26.161 -4.959393 35.05123 
1 1 1    4   38   10 o   41.824   20.972  -4.1281   9.8045 -20.6397   12.111   27.270   16.701   37.885   19.408   56.829   28.323 -18.94405 34.33469 
1 1 1    4   38   11 o   46.416   22.677   3.9363   8.9977   9.3305   12.583  -1.7086   12.872   49.885   24.817   44.671   22.601 5.214409 33.56616 
1 1 1    4   38   12 o   56.059   25.754   13.017   8.5486   10.920   12.178   15.054   12.003   50.382   24.952   53.233   26.046 -2.851582 36.06903 
1 1 1    4   38   13 o   52.046   24.338   10.028   8.1596   9.4948   10.912   10.705   12.290   49.424   24.314   49.591   24.647 -0.1673927 34.62130 
1 1 1    4   38   14 o   40.915   20.355  -1.3326   8.4675   16.584   12.100 -18.5278   11.854   52.764   25.886   37.106   19.022 15.65766 32.12319 
1 1 1    4   38   15 o   37.905   18.984  -4.4677   7.9238 -13.0563   11.784   2.6195   10.705   38.338   19.601   44.084   22.077 -5.746258 29.52322 
1 1 1    4   38   16 o   43.402   21.345   3.2766   8.3890   13.158   12.325  -5.2534   11.451   48.904   24.366   40.360   20.514 8.543610 31.85166 
1 1 1    4   38   17 o   38.360   19.132  -2.1533   7.6796  -4.7771   10.268   1.1780   11.570   39.231   19.886   42.442   21.468 -3.211163 29.26300 
1 1 1    4   38   18 o   38.323   19.208  -2.1719   8.1784  -3.1348   11.566  -1.2090   11.566   40.073   20.392   40.796   20.723 -0.7229042 29.07389 
1 1 1    4   38   19 o   31.909   16.381 -18.8606   9.1382 -10.9700   14.886 -23.6327   11.576   38.745   19.931   33.652   17.325 5.092896 26.40833 
1 1 1    4   38   20 o   55.722   27.107   32.541   12.474   21.760   17.208   44.480   18.109   45.088   23.101   50.437   25.652 -5.348911 34.52042 
1 1 1    4   38   21 o   40.534   20.515   4.9054   10.660   5.2538   13.583   4.3470   17.198   40.541   20.752   40.311   20.770 0.2308617 29.36096 
1 1 1    4   39    0 o   53.659   25.503   13.801   9.6443   5.6913   12.118   27.810   15.928   46.384   23.266   54.652   27.304 -8.268536 35.87206 
1 1 1    4   39    1 o   40.181   20.228  -4.3122   9.5984  -4.8644   12.212  -3.4200   15.524   41.857   21.266   43.711   22.360 -1.854046 30.85781 
1 1 1    4   39    2 o   40.467   20.163  -1.9026   8.4411   5.3963   11.204 -11.4837   12.837   46.163   23.037   40.018   20.460 6.145256 30.81122 
1 1 1    4   39    3 o   60.465   26.897   16.972   8.4710   14.282   12.000   19.644   11.960   51.101   25.208   54.957   26.690 -3.855946 36.71222 
1 1 1    4   39    4 o   42.885   21.103   1.8523   8.2375 -13.9721   11.623   17.822   11.676   38.051   19.455   53.746   26.164 -15.69529 32.60470 
1 1 1    4   39    5 o   47.618   23.187   7.6597   9.1878   5.1780   12.919   10.200   13.069   45.621   23.029   47.841   24.020 -2.220261 33.27629 
1 1 1    4   39    6 o   59.356   26.914   17.959   8.9441   13.303   12.543   22.775   12.757   49.387   24.603   55.025   26.908 -5.638199 36.45994 
1 1 1    4   39    7 o   52.349   24.656   12.359   8.6367   4.9734   12.148   19.908   12.282   45.027   22.679   53.364   26.160 -8.336784 34.62197 
1 1 1    4   39    8 o   51.319   24.253   11.610   8.4869   12.886   11.438   10.046   12.660   49.196   24.332   46.990   23.599 2.205696 33.89628 
1 1 1    4   39    9 f   46.032   22.429   6.9022   8.6378  -0.5905   12.537   13.673   11.918   42.240   21.469   48.907   24.301 -6.666866 32.42598 
1 1 1    4   39   10 o   41.239   20.487   1.2251   8.4576 -10.8960   12.603   11.157   11.408   38.690   19.819   47.341   23.564 -8.650341 30.79034 
1 1 1    4   39   11 o   44.736   21.749   6.0618   7.9969   1.5999   12.169   9.4530   10.609   42.292   21.460   46.260   22.976 -3.968204 31.43919 
1 1 1    4   39   12 o   47.094   22.708   9.1321   8.2724  -1.7057   11.772   19.706   11.628   40.552   20.630   51.421   25.257 -10.86858 32.61121 
1 1 1    4   39   13 o   36.407   18.297  -3.7963   7.6779  -6.5661   10.385  -0.4568   11.403   37.587   19.146   40.467   20.558 -2.879852 28.09311 
1 1 1    4   39   14 o   37.121   18.748  -3.5341   8.6241 -14.2942   12.477   6.3102   11.934   36.404   18.711   42.691   21.618 -6.286777 28.59077 
1 1 1    4   39   15 o   33.255   17.042 -14.2100   9.4206 -14.9600   16.881 -13.8708   11.353   37.998   19.620   35.250   18.105 2.747810 26.69674 
1 1 1    4   39   16 o   41.710   20.894   6.3927   9.6205   25.100   17.496  -1.7143   11.518   44.727   22.941   38.425   19.624 6.301571 30.18958 
1 1 1    4   39   17 o   53.378   26.076   31.426   11.893   37.910   16.957   25.150   16.684   47.211   24.085   44.116   22.612 3.094887 33.03676 
1 1 1    4   39   18 o   36.443   18.454  -0.5893   8.6958 -11.7583   10.563   22.900   15.318   33.685   17.309   43.186   22.101 -9.501232 28.07204 
1 1 1    4   39   19 o   33.040   16.822  -5.4244   7.9417  -2.0691   11.536  -8.4469   10.949   36.128   18.538   34.171   17.562 1.957520 25.53588 
1 1 1    4   40    0 o   44.591   21.827   8.0163   8.4582   23.381   12.520  -4.8833   11.472   50.435   25.034   38.345   19.583 12.09012 31.78336 
1 1 1    4   40    1 o   41.598   20.685   4.1648   8.7047  -0.8151   12.379   9.0359   12.243   40.017   20.430   43.612   22.063 -3.594841 30.06891 
1 1 1    4   40    2 o   42.552   21.028   5.5363   8.4797  -7.6208   11.526   21.061   12.520   37.469   19.175   49.057   24.461 -11.58813 31.08084 
1 1 1    4   40    3 o   41.018   20.314   3.5688   8.0699  -9.0078   11.387   16.260   11.438   36.902   18.898   47.527   23.647 -10.62481 30.27053 
1 1 1    4   40    4 o   41.066   20.490   3.6883   8.8453  -1.1593   12.472   8.5943   12.547   39.715   20.294   43.085   21.855 -3.370140 29.82436 
1 1 1    4   40    5 o   40.390   20.186   2.8662   8.7414  -1.8828   12.653   7.2025   12.091   39.406   20.160   42.460   21.529 -3.054047 29.49453 
1 1 1    4   40    6 o   40.580   20.073   3.5891   7.7956   0.5124   12.671   5.4628   9.8883   39.958   20.421   41.757   20.955 -1.799664 29.25986 
1 1 1    4   40    7 o   34.300   17.420  -7.0774   8.1438  -5.6961   11.556  -8.4404   11.479   37.477   19.181   36.617   18.768 0.8597755 26.83541 
1 1 1    4   40    8 o   30.379   15.582 -16.4527   8.0780  -7.6976   11.087 -26.3606   11.794   36.385   18.634   32.447   16.740 3.937435 25.04900 
1 1 1    4   40    9 o   49.426   24.138   19.184   10.169  -0.1202   17.573   28.902   12.468   39.605   20.433   51.236   25.352 -11.63052 32.56073 
1 1 1    4   40   10 o   32.980   16.943 -14.9486   10.066 -34.1300   16.954  -4.5040   12.510   34.472   17.874   37.391   19.194 -2.919388 26.22716 
1 1 1    4   40   11 o   32.724   16.819 -15.1643   10.125 -26.2300   16.449  -8.4150   12.846   34.870   18.066   36.219   18.626 -1.348618 25.94771 
1 1 1    4   40   12 o   34.316   17.647 -11.9514   11.514  -7.8510   14.980 -17.8700   17.997   36.640   18.901   36.054   18.686 0.5854950 26.57879 
1 1 1    4   40   13 o   33.143   16.984  -9.1297   9.3496  -1.9492   10.952 -28.4300   17.955   36.328   18.599   34.447   17.874 1.880943 25.79535 
1 1 1    4   40   14 o   40.130   20.298   9.8196   10.335   11.505   12.626   6.3970   17.994   39.808   20.347   38.007   19.646 1.800907 28.28386 
1 1 1    4   40   15 o   30.024   15.444 -15.6377   8.9105  -6.3913   12.619 -24.8317   12.584   34.644   17.848   31.315   16.211 3.328180 24.11074 
1 1 1    4   40   16 o   32.131   16.459  -6.4700   8.6942  -2.7484   13.014  -9.4702   11.684   34.832   17.953   33.046   17.032 1.785370 24.74618 
1 1 1    4   41    0 o   42.658   21.373   14.161   10.087   10.168   11.884   24.450   19.076   39.782   20.283   40.515   20.917 -0.7327728 29.13672 
1 1 1    4   41    1 o   42.221   21.070   12.177   9.3704   10.759   11.624   14.810   15.836   40.077   20.399   39.799   20.478 0.2775116 28.90475 
1 1 1    4   41    2 o   40.148   20.244   9.1629   9.8297   16.039   12.714  -1.0560   15.499   41.297   21.049   36.885   19.035 4.412086 28.37960 
1 1 1    4   41    3 o   34.238   17.571  -6.4418   10.422 -17.6366   13.018   13.540   17.393   33.206   17.149   39.079   20.167 -5.872185 26.47239 
1 1 1    4   41    4 o   37.053   18.922   2.6051   10.697  -3.0915   13.156   13.720   18.376   35.929   18.496   38.798   20.048 -2.869579 27.27639 
1 1 1    4   41    5 o   36.451   18.619   1.4510   10.405  -3.9941   12.551   13.420   18.608   35.426   18.228   38.516   19.911 -3.089909 26.99470 
1 1 1    4   41    6 o   37.128   18.905   3.9583   10.061   7.6575   12.023  -4.6820   18.375   38.159   19.532   36.072   18.701 2.087154 27.04110 
1 1 1    4   41    7 f   46.031   22.774   22.011   10.054   26.345   11.994   11.770   18.439   44.735   22.532   37.754   19.546 6.980450 29.82883 
1 1 1    4   41    8 o   29.477   15.208 -20.5274   9.7519 -28.2733   11.966  -5.2060   16.829   30.044   15.561   35.275   18.275 -5.230587 24.00251 
1 1 1    4   41    9 o   36.654   18.554   4.8518   8.7395   19.156   13.237  -6.2006   11.636   39.815   20.389   33.645   17.324 6.169834 26.75449 
1 1 1    4   41   10 o   37.098   18.789   6.8746   9.0439   10.400   13.072   3.6379   12.525   37.120   19.077   35.624   18.324 1.495335 26.45184 
1 1 1    4   41   11 o   33.221   16.979  -1.3384   8.7719   10.853   12.660 -12.5957   12.165   36.788   18.906   31.888   16.472 4.899879 25.07471 
1 1 1    4   41   12 o   34.707   17.634   3.6533   8.4087  -7.2715   12.032   14.082   11.756   32.377   16.711   37.362   19.139 -4.985378 25.40783 
1 1 1    4   42    0 o   38.545   19.426   14.514   8.9848   22.542   13.123   7.4298   12.327   37.562   19.300   34.460   17.748 3.101559 26.21970 
1 1 1    4   42    1 o   29.691   15.274  -8.9824   8.7425 -13.5119   12.310  -4.3724   12.419   30.665   15.879   32.189   16.627 -1.523451 22.99165 
1 1 1    4   42    2 o   35.961   18.246   9.0598   8.7819   5.6425   11.752   13.382   13.216   34.058   17.530   35.410   18.244 -1.352108 25.30106 
1 1 1    4   42    3 o   37.612   18.983   12.685   8.7556   17.694   12.096   7.1721   12.690   36.765   18.872   34.170   17.617 2.595234 25.81693 
1 1 1    4   42    4 o   31.866   16.315  -0.6173   8.4397  -8.7011   12.184   6.8397   11.702   31.137   16.097   34.071   17.535 -2.933990 23.80306 
1 1 1    4   42    5 o   32.103   16.380   0.8240   7.8628   12.628   11.393  -9.9107   10.865   35.355   18.158   30.289   15.643 5.066689 23.96661 
1 1 1    4   42    6 o   32.652   16.703   2.6098   8.6617   16.614   12.119 -12.0138   12.384   35.727   18.361   30.331   15.713 5.395988 24.16673 
1 1 1    5    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0    1 o  164.314   10.543   35.412   4.4451   35.412   4.4451   35.412   4.4451  164.314   10.543  164.314   10.543 -0.000000 0.000000 
1 1 1    5    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0    3 f  342.263   10.664  152.227   9.4334  152.227   9.4334  152.227   9.4334  342.263   10.664  342.263   10.664 -0.000000 0.000000 
1 1 1    5    0    4 o  1071.41   16.817  1489.52   46.646  1489.52   46.646  1489.52   46.646  1071.41   16.817  1071.41   16.817 -0.000000 0.000000 
1 1 1    5    0    5 o  565.933   12.100  415.634   17.720  415.634   17.720  415.634   17.720  565.933   12.100  565.933   12.100 -0.000000 0.000000 
1 1 1    5    0    6 o  159.663   10.918   33.495   4.4668   33.495   4.4668   33.495   4.4668  159.663   10.918  159.663   10.918 -0.000000 0.000000 
1 1 1    5    0    7 o  374.727   11.063  182.448   10.717  182.448   10.717  182.448   10.717  374.727   11.063  374.727   11.063 -0.000000 0.000000 
1 1 1    5    0    8 o  524.868   12.002  357.636   16.299  357.636   16.299  357.636   16.299  524.868   12.002  524.868   12.002 -0.000000 0.000000 
1 1 1    5    0    9 o  775.865   14.046  781.382   28.207  781.382   28.207  781.382   28.207  775.865   14.046  775.865   14.046 -0.000000 0.000000 
1 1 1    5    0   10 o  253.173   11.313   83.594   7.3852   83.594   7.3852   83.594   7.3852  253.173   11.313  253.173   11.313 0.000000 0.000000 
1 1 1    5    0   11 o  288.555   11.506  108.500   8.5690  108.500   8.5690  108.500   8.5690  288.555   11.506  288.555   11.506 -0.000000 0.000000 
1 1 1    5    0   12 o  552.854   17.866  398.800   25.524  398.800   25.524  398.800   25.524  552.854   17.866  552.854   17.866 -0.000000 0.000000 
1 1 1    5    0   13 o  375.147   11.819  183.202   11.459  183.202   11.459  183.202   11.459  375.147   11.819  375.147   11.819 -0.000000 0.000000 
1 1 1    5    0   14 o  165.868   20.242   37.390   8.3509   37.390   8.3509   37.390   8.3509  165.868   20.242  165.868   20.242 -0.000000 0.000000 
1 1 1    5    0   15 o  600.899   18.414  470.800   28.601  470.800   28.601  470.800   28.601  600.899   18.414  600.899   18.414 -0.000000 0.000000 
1 1 1    5    0   16 o  1292.08   19.508  2170.97   65.257  2170.97   65.257  2170.97   65.257  1292.08   19.508  1292.08   19.508 -0.000000 0.000000 
1 1 1    5    0   17 o  691.291   13.799  620.464   24.688  620.464   24.688  620.464   24.688  691.291   13.799  691.291   13.799 -0.000000 0.000000 
1 1 1    5    0   18 o  225.866   14.149   66.921   8.2038   66.921   8.2038   66.921   8.2038  225.866   14.149  225.866   14.149 -0.000000 0.000000 
1 1 1    5    0   19 o  246.184   14.338   79.375   9.0720   79.375   9.0720   79.375   9.0720  246.184   14.338  246.184   14.338 -0.000000 0.000000 
1 1 1    5    0   20 o  482.869   13.643  303.000   17.034  303.000   17.034  303.000   17.034  482.869   13.643  482.869   13.643 -0.000000 0.000000 
1 1 1    5    0   21 o  1840.90   36.884  4428.00  175.723  4428.00  175.723  4428.00  175.723  1840.90   36.884  1840.90   36.884 -0.000000 0.000000 
1 1 1    5    0   22 o  363.091   20.413  172.800   19.060  172.800   19.060  172.800   19.060  363.091   20.413  363.091   20.413 -0.000000 0.000000 
1 1 1    5    0   23 o  599.534   13.827  466.904   21.448  466.904   21.448  466.904   21.448  599.534   13.827  599.534   13.827 -0.000000 0.000000 
1 1 1    5    0   24 o  482.448   13.816  302.660   17.234  302.660   17.234  302.660   17.234  482.448   13.816  482.448   13.816 -0.000000 0.000000 
1 1 1    5    0   25 o  238.027   16.279   74.581   9.9294   74.581   9.9294   74.581   9.9294  238.027   16.279  238.027   16.279 -0.000000 0.000000 
1 1 1    5    0   26 o  109.408   34.058   19.557   8.4591   19.557   8.4591   19.557   8.4591  109.408   34.058  109.408   34.058 0.000000 0.000000 
1 1 1    5    0   27 o  673.660   14.525  590.164   25.320  590.164   25.320  590.164   25.320  673.660   14.525  673.660   14.525 -0.000000 0.000000 
1 1 1    5    0   28 o   42.133   27.779  -1.5066   7.7789  -1.5066   7.7789  -1.5066   7.7789   42.133   27.779   42.133   27.779 -0.000000 0.000000 
1 1 1    5    0   29 o   36.708   25.294  -5.8476   7.9797  -5.8476   7.9797  -5.8476   7.9797   36.708   25.294   36.708   25.294 -0.000000 0.000000 
1 1 1    5    0   30 o  316.799   15.501  131.650   12.651  131.650   12.651  131.650   12.651  316.799   15.501  316.799   15.501 -0.000000 0.000000 
1 1 1    5    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   32 o   92.212   38.820   16.185   9.3419   16.185   9.3419   16.185   9.3419   92.212   38.820   92.212   38.820 -0.000000 0.000000 
1 1 1    5    0   33 f  200.802   20.471   54.745   10.394   54.745   10.394   54.745   10.394  200.802   20.471  200.802   20.471 -0.000000 0.000000 
1 1 1    5    0   34 o  105.734   37.041   19.795   9.1904   19.795   9.1904   19.795   9.1904  105.734   37.041  105.734   37.041 -0.000000 0.000000 
1 1 1    5    0   35 o  338.233   15.373  151.143   13.406  151.143   13.406  151.143   13.406  338.233   15.373  338.233   15.373 -0.000000 0.000000 
1 1 1    5    0   36 o   47.685   30.779   0.8413   8.8508   0.8413   8.8508   0.8413   8.8508   47.685   30.779   47.685   30.779 -0.000000 0.000000 
1 1 1    5    0   37 o   42.394   28.628  -3.0397   9.1694  -3.0397   9.1694  -3.0397   9.1694   42.394   28.628   42.394   28.628 -0.000000 0.000000 
1 1 1    5    0   38 o  146.788   31.469   33.585   10.506   33.585   10.506   33.585   10.506  146.788   31.469  146.788   31.469 -0.000000 0.000000 
1 1 1    5    0   39 o   95.908   38.319   18.389   9.2253   18.389   9.2253   18.389   9.2253   95.908   38.319   95.908   38.319 -0.000000 0.000000 
1 1 1    5    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   41 o  192.432   22.956   53.481   11.013   53.481   11.013   53.481   11.013  192.432   22.956  192.432   22.956 -0.000000 0.000000 
1 1 1    5    0   42 o  145.837   34.087   35.844   11.193   35.844   11.193   35.844   11.193  145.837   34.087  145.837   34.087 -0.000000 0.000000 
1 1 1    5    0   43 o   51.806   33.316   4.1684   10.243   4.1684   10.243   4.1684   10.243   51.806   33.316   51.806   33.316 -0.000000 0.000000 
1 1 1    5    0   44 o   58.713   36.701   8.4859   11.455   8.4859   11.455   8.4859   11.455   58.713   36.701   58.713   36.701 0.000000 0.000000 
1 1 1    5    0   45 o   43.878   29.974  -0.7420   10.666  -0.7420   10.666  -0.7420   10.666   43.878   29.974   43.878   29.974 -0.000000 0.000000 
1 1 1    5    0   46 o  116.419   38.926   29.135   10.468   29.135   10.468   29.135   10.468  116.419   38.926  116.419   38.926 -0.000000 0.000000 
1 1 1    5    0   47 o   65.922   39.608   15.692   12.193   15.692   12.193   15.692   12.193   65.922   39.608   65.922   39.608 -0.000000 0.000000 
1 1 1    5    0   48 o   46.761   33.059   0.5652   16.317   0.5652   16.317   0.5652   16.317   46.761   33.059   46.761   33.059 -0.000000 0.000000 
1 1 1    5    1    0 f  1634.57   16.380  3467.14   69.355  3410.32   96.459  3527.94   99.792  1619.60   22.992  1647.19   23.389 -27.58337 32.79753 
1 1 1    5    1    1 o  1552.73   15.783  3128.24   63.480  3256.28   93.567  3019.04   86.410  1582.63   22.824  1524.12   21.887 58.51001 31.62266 
1 1 1    5    1    2 o  1400.38   20.428  2547.70   74.099  2516.00  103.526  2581.00  106.105  1389.54   28.763  1407.27   29.108 -17.73157 40.92121 
1 1 1    5    1    3 o  346.473   7.5497  155.542   6.7756  155.012   7.7828  157.200   13.771  345.859   8.6873  348.084   15.273 -2.225281 17.57115 
1 1 1    5    1    4 o  921.723   10.807  1101.32   25.801  1209.00   55.177  1071.19   29.189  964.340   22.089  908.896   12.398 55.44366 25.33055 
1 1 1    5    1    5 o  166.488   7.5810   35.916   3.2693   38.860   6.3438   34.851   3.8150  172.481   14.329  163.736   9.0297 8.744904 16.93659 
1 1 1    5    1    6 o  727.039   9.5085  685.132   17.907  675.828   25.116  694.751   25.537  721.804   13.433  731.836   13.471 -10.03247 19.02460 
1 1 1    5    1    7 o  176.770   7.7356   40.493   3.5421   39.203   5.0224   41.770   4.9961  173.515   11.235  179.163   10.816 -5.647736 15.59525 
1 1 1    5    1    8 o  483.483   8.2855  302.966   10.376  298.989   14.614  307.009   14.736  480.125   11.751  486.525   11.693 -6.400330 16.57705 
1 1 1    5    1    9 o  741.071   9.7025  712.090   18.625  715.386   26.426  708.836   26.255  742.359   13.742  738.955   13.716 3.403137 19.41621 
1 1 1    5    1   10 o  580.271   8.8374  436.604   13.283  431.189   18.680  442.143   18.893  576.325   12.513  583.601   12.498 -7.276428 17.68515 
1 1 1    5    1   11 o  286.286   9.2762  106.329   6.8790  108.143   8.4639  102.800   11.807  288.599   11.322  280.534   16.318 8.064423 19.86141 
1 1 1    5    1   12 o  259.745   11.780   87.683   7.9259   90.120   11.272   85.300   11.147  262.358   16.673  255.169   16.961 7.188828 23.78396 
1 1 1    5    1   13 o  585.081   10.405  444.678   15.770  445.623   19.336  442.800   27.253  585.266   12.754  582.102   18.074 3.164246 22.12142 
1 1 1    5    1   14 o  132.528   13.042   23.064   4.4191   23.907   5.3725   21.300   7.7706  134.544   15.712  125.144   24.848 9.400146 29.39843 
1 1 1    5    1   15 o  202.839   10.867   53.567   5.6888   44.200   9.8813   58.210   6.9575  182.700   21.278  211.270   12.773 -28.57079 24.81805 
1 1 1    5    1   16 o  503.309   10.277  328.614   13.398  312.000   22.884  337.278   16.526  489.604   18.044  509.703   12.517 -20.09891 21.96069 
1 1 1    5    1   17 o  840.717   10.605  916.601   23.096  905.425   32.374  928.185   32.959  835.041   14.967  845.459   15.050 -10.41852 21.22500 
1 1 1    5    1   18 o  1430.55   14.892  2656.17   55.182  2634.00   77.388  2679.10   78.706  1423.07   20.994  1435.15   21.172 -12.08130 29.81611 
1 1 1    5    1   19 o  1314.97   14.042  2243.43   47.829  2207.28   66.633  2281.85   68.695  1303.22   19.739  1324.98   20.015 -21.76758 28.11128 
1 1 1    5    1   20 o  464.886   9.7065  280.138   11.688  285.078   16.539  275.209   16.521  468.779   13.621  460.581   13.847 8.198456 19.42360 
1 1 1    5    1   21 o  502.235   11.270  327.070   14.661  330.853   18.078  319.800   25.061  504.983   13.820  496.046   19.504 8.937317 23.90419 
1 1 1    5    1   22 f  366.164   11.373  173.876   10.787  176.943   13.197  167.700   18.724  369.267   13.796  358.532   20.244 10.73486 24.49858 
1 1 1    5    1   23 o   81.065   23.151   8.7653   5.1026   13.752   7.6515   4.7710   6.8477  101.138   28.165   71.402   27.011 29.73541 39.02357 
1 1 1    5    1   24 o  536.281   9.7960  372.932   13.608  371.088   19.154  374.812   19.336  534.633   13.831  537.303   13.893 -2.670044 19.60411 
1 1 1    5    1   25 o  795.115   10.747  820.151   22.135  823.803   31.402  816.545   31.205  796.226   15.225  792.715   15.197 3.510132 21.51188 
1 1 1    5    1   26 o  610.981   10.061  484.274   15.923  485.463   22.477  483.076   22.560  611.233   14.196  609.716   14.284 1.516602 20.13896 
1 1 1    5    1   27 o  166.540   15.691   36.403   6.6891   27.609   9.4832   45.112   9.4367  142.839   26.610  184.879   20.025 -42.04015 33.30299 
1 1 1    5    1   28 o  271.288   11.616   95.604   8.1627  102.874   11.612   88.502   11.477  280.585   16.043  260.009   17.137 20.57642 23.47469 
1 1 1    5    1   29 o  318.240   10.483  131.554   8.6417  126.209   12.249  136.850   12.194  311.207   15.195  324.147   14.522 -12.93961 21.01869 
1 1 1    5    1   30 o  568.132   10.126  419.451   14.902  430.259   21.379  409.239   20.783  574.427   14.368  560.232   14.321 14.19495 20.28669 
1 1 1    5    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1   32 o  297.940   11.594  115.717   8.9475  109.461   12.606  122.069   12.702  288.235   16.959  304.670   16.153 -16.43460 23.42038 
1 1 1    5    1   33 o   68.367   25.564   4.8921   6.0961   3.6362   8.3548   6.3218   8.9147   72.103   29.064   79.953   30.681 -7.849922 42.26160 
1 1 1    5    1   34 o   91.777   25.906   11.699   6.4278   9.7427   9.3664   13.441   8.8372   89.195   31.951   98.817   31.010 -9.621887 44.52504 
1 1 1    5    1   35 o   97.244   24.114   13.248   6.0442   24.505   8.8027   3.2062   8.3139  132.087   26.647   70.526   28.785 61.56145 39.22581 
1 1 1    5    1   36 o  126.531   21.183   22.029   6.6974   23.338   9.4284   20.697   9.5152  127.473   29.184  119.569   30.596 7.904167 42.28216 
1 1 1    5    1   37 o   84.889   27.030   9.9734   6.6934   0.0938   9.3074   20.556   9.6328   66.928   29.022  118.337   31.040 -51.40855 42.49414 
1 1 1    5    1   38 o  194.700   15.291   50.680   7.6499   53.829   10.999   47.729   10.647  197.587   21.857  185.541   22.621 12.04553 31.45488 
1 1 1    5    1   39 o   60.939   24.553   2.9448   5.9599   7.1026   9.1509  -0.1180   7.8541   79.677   30.946   60.849   26.521 18.82770 40.75542 
1 1 1    5    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1   41 f   67.457   27.130   4.1883   7.2621   12.996   10.256  -4.6692   10.285   94.174   33.465   61.430   28.232 32.74435 43.78296 
1 1 1    5    1   42 o  189.458   16.906   49.139   8.2094   51.349   11.647   46.957   11.573  188.432   24.438  179.168   25.670 9.263962 35.44232 
1 1 1    5    1   43 o  149.492   20.662   31.829   7.7871   34.295   10.666   29.015   11.395  149.482   28.588  133.545   33.107 15.93745 43.74171 
1 1 1    5    1   44 o  113.729   25.068   19.671   7.1859   19.117   10.858   20.103   9.5852  105.900   34.495  110.301   31.801 -4.400665 46.91723 
1 1 1    5    1   45 o   71.580   28.587   6.3220   8.0015   12.396   11.732   1.0397   10.941   88.634   34.862   68.065   30.402 20.56911 46.25579 
1 1 1    5    1   46 o   67.039   28.201   4.2766   8.3221   13.637   11.860  -4.8041   11.681   89.839   35.135   61.886   28.996 27.95314 45.55539 
1 1 1    5    1   47 o   60.588   26.553   1.6886   7.9703   11.862   11.375  -8.1229   11.171   84.735   33.998   56.601   27.053 28.13440 43.44825 
1 1 1    5    1   48 o   56.062   26.241  -3.7245   9.5255 -31.5900   14.549   17.180   12.602   49.551   24.940   92.980   36.258 -43.42950 44.00785 
1 1 1    5    2    0 o  1342.24   14.021  2336.76   48.749  2164.56   63.941  2575.78   75.334  1291.04   19.120  1408.03   20.655 -116.9888 28.14637 
1 1 1    5    2    1 o  2062.25   23.307  5530.40  124.502  4966.00  189.279  5960.81  165.293  1947.97   37.512  2138.25   29.843 -190.2815 47.93493 
1 1 1    5    2    2 o  963.669   15.804  1205.02   39.450  1331.00   60.165  1110.00   52.249  1011.74   22.957  924.109   21.828 87.62946 31.67790 
1 1 1    5    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2    4 o  611.212   12.499  484.445   19.788   0.0000   0.0000  484.445   19.788  ?   ?   611.212   12.499 0.000000 12.49867 
1 1 1    5    2    5 f  317.398   8.8453  130.561   7.2722  154.000   12.794  119.374   8.8389  344.531   14.336  303.435   11.246 41.09634 18.22056 
1 1 1    5    2    6 o  987.382   11.317  1264.11   28.944  1323.00   59.791  1246.09   33.079  1008.35   22.892  980.136   13.029 28.21271 26.33980 
1 1 1    5    2    7 o  290.392   10.815  109.340   8.1349   0.0000   0.0000  109.340   8.1349  ?   ?   290.392   10.815 0.000000 10.81476 
1 1 1    5    2    8 o  688.887   9.3765  615.219   16.732  619.614   23.815  610.935   23.512  691.010   13.305  686.162   13.229 4.848694 18.76226 
1 1 1    5    2    9 o  456.258   8.2618  269.848   9.7642  268.832   13.823  270.859   13.794  455.198   11.723  456.916   11.655 -1.717773 16.53104 
1 1 1    5    2   10 o  288.035   7.9624  107.559   5.9407  106.351   8.4068  108.763   8.3961  286.267   11.337  289.502   11.196 -3.234619 15.93399 
1 1 1    5    2   11 o  677.976   13.341  597.505   23.429  595.800   33.179  599.200   33.088  675.750   18.955  677.703   18.849 -1.953369 26.73168 
1 1 1    5    2   12 o  154.419   13.307   31.250   5.2706   36.000   7.4613   26.520   7.4462  165.132   17.721  140.799   21.064 24.33295 27.52654 
1 1 1    5    2   13 o  654.104   10.850  555.936   18.384  554.308   22.507  559.200   31.868  652.610   13.314  653.895   18.815 -1.285461 23.04896 
1 1 1    5    2   14 o  250.490   8.6777   81.419   5.6305   87.885   8.0672   75.277   7.8622  260.025   11.977  240.268   12.678 19.75607 17.44065 
1 1 1    5    2   15 o  381.622   12.025  189.150   11.886   0.0000   0.0000  189.150   11.886  ?   ?   381.622   12.025 0.000000 12.02458 
1 1 1    5    2   16 o  336.381   10.149  146.771   8.8428  136.300   15.373  151.948   10.810  323.080   18.446  342.148   12.197 -19.06793 22.11433 
1 1 1    5    2   17 o  657.207   9.6329  559.984   16.399  580.372   23.733  541.356   22.685  668.708   13.701  645.854   13.560 22.85431 19.27687 
1 1 1    5    2   18 o  965.760   11.492  1209.51   28.750  1223.39   41.040  1196.13   40.286  970.662   16.323  959.807   16.204 10.85455 22.99999 
1 1 1    5    2   19 o  593.083   9.5836  455.938   14.723  460.854   20.963  451.152   20.682  596.027   13.578  589.722   13.540 6.304688 19.17516 
1 1 1    5    2   20 f  134.231   18.832   23.863   6.3677   28.310   9.2407   19.842   8.7869  145.340   25.474  120.939   28.514 24.40090 38.23548 
1 1 1    5    2   21 o  563.042   14.160  411.348   20.652  411.400   29.798  411.300   28.649  562.510   20.451  562.524   19.662 -0.1403809E-01 28.36929 
1 1 1    5    2   22 o  263.436   12.836   90.033   8.7591   81.279   10.753  107.300   15.101  249.599   16.728  286.496   20.484 -36.89702 26.44672 
1 1 1    5    2   23 o  550.945   9.7300  393.553   13.886  387.357   19.629  399.760   19.646  546.287   13.872  554.982   13.666 -8.695007 19.47265 
1 1 1    5    2   24 o  691.812   10.282  620.699   18.426  622.345   26.134  619.072   25.982  692.258   14.574  690.441   14.528 1.816833 20.57820 
1 1 1    5    2   25 o  425.922   10.005  235.293   11.039  243.388   15.797  227.568   15.432  432.880   14.088  418.563   14.233 14.31714 20.02652 
1 1 1    5    2   26 o  239.056   12.406   74.401   7.6555   70.923   10.930   77.751   10.726  232.662   18.283  243.838   17.090 -11.17603 25.02683 
1 1 1    5    2   27 o  549.332   9.9813  391.575   14.203  385.753   20.130  397.345   20.042  544.695   14.267  552.859   13.995 -8.163818 19.98522 
1 1 1    5    2   28 o  282.302   15.718  104.106   11.448   0.0000   0.0000  104.106   11.448  ?   ?   282.302   15.718 0.000000 15.71835 
1 1 1    5    2   29 o  291.641   11.442  110.550   8.6437  119.070   12.348  102.364   12.104  301.772   15.852  279.574   16.791 22.19849 23.09208 
1 1 1    5    2   30 o  192.009   14.048   48.316   6.9384   63.181   10.147   35.261   9.5091  218.957   18.051  161.961   23.340 56.99535 29.50578 
1 1 1    5    2   31 o  270.293   26.985   98.320   18.641   0.0000   0.0000   98.320   18.641  ?   ?   270.293   26.985 0.000000 26.98479 
1 1 1    5    2   32 o  264.972   11.692   91.544   8.0246   89.704   10.980   93.653   11.756  260.980   16.325  266.466   17.123 -5.485962 23.65790 
1 1 1    5    2   33 o   72.827   25.207   6.5258   5.7931   1.3169   7.4364   14.567   9.2394   63.804   26.740  102.731   31.622 -38.92742 41.41179 
1 1 1    5    2   34 o  164.516   15.328   35.878   6.4569   29.939   9.0370   42.071   9.2288  147.467   24.519  176.755   20.540 -29.28787 31.98545 
1 1 1    5    2   35 o  225.227   13.036   66.736   7.5726   75.147   10.399   57.241   11.049  237.791   16.995  205.944   21.006 31.84654 27.01978 
1 1 1    5    2   36 o  138.705   18.909   26.100   6.6167   29.456   9.2503   22.584   9.4684  145.021   25.559  125.159   29.659 19.86255 39.15266 
1 1 1    5    2   37 o   61.117   25.027   2.3295   6.3103  -0.1097   8.6515   5.1023   9.2241   64.333   27.938   76.393   30.628 -12.06039 41.45642 
1 1 1    5    2   38 o   75.568   26.138   7.4929   6.2288   6.2014   8.9398   8.7113   8.6835   77.620   30.463   83.268   30.629 -5.648262 43.19857 
1 1 1    5    2   39 o  292.379   11.953  112.759   9.0525  130.463   13.336   97.631   12.328  311.500   16.587  268.586   17.821 42.91476 24.34597 
1 1 1    5    2   40 o  202.807   34.877   63.370   17.661   0.0000   0.0000   63.370   17.661  ?   ?   202.807   34.877 0.000000 34.87682 
1 1 1    5    2   41 o   90.672   27.079   12.179   6.8468   30.710   10.444  -1.7870   9.0669  142.820   29.216   61.486   27.554 81.33360 40.16009 
1 1 1    5    2   42 o   92.946   28.149   13.087   7.3606   16.459   11.128   10.465   9.8144  101.928   34.955   86.626   32.428 15.30178 47.68031 
1 1 1    5    2   43 o  231.375   15.307   72.874   9.1219   76.100   13.416   70.101   12.440  229.852   22.835  221.348   21.988 8.503387 31.70009 
1 1 1    5    2   44 o   68.962   27.832   5.1827   7.6719  -0.5715   10.845   10.947   10.854   66.371   29.906   86.300   33.651 -19.92932 45.02004 
1 1 1    5    2   45 f  146.763   21.998   31.751   8.1051   28.644   11.113   35.282   11.847  129.528   33.022  145.160   32.336 -15.63174 46.21771 
1 1 1    5    2   46 o   59.601   25.175   2.6619   6.6761   6.4706   9.9549  -0.4512   9.0000   74.146   30.995   60.397   27.226 13.74882 41.25510 
1 1 1    5    2   47 o   52.387   24.476  -4.1427   8.2233  -9.2646   11.564   1.0967   11.696   56.522   27.150   67.847   30.769 -11.32446 41.03462 
1 1 1    5    2   48 o  104.756   41.967   26.580   17.303   0.0000   0.0000   26.580   17.303  ?   ?   104.756   41.967 0.000000 41.96696 
1 1 1    5    3    0 o  1363.96   14.164  2413.18   50.044  2342.00   97.487  2438.65   58.314  1340.70   28.072  1370.78   16.423 -30.08435 32.52282 
1 1 1    5    3    1 o  553.570   17.328  397.800   24.847  397.800   24.847   0.0000   0.0000  553.570   17.328  ?   ?  0.000000 17.32808 
1 1 1    5    3    2 o  1275.09   13.456  2108.69   44.442  2088.23   62.288  2129.90   63.428  1268.01   18.964  1280.57   19.122 -12.55859 26.93102 
1 1 1    5    3    3 o  845.047   10.303  925.658   22.553  945.178   32.377  907.259   31.433  853.542   14.644  836.259   14.511 17.28369 20.61587 
1 1 1    5    3    4 o  695.853   9.3783  627.582   16.904  626.417   23.906  628.748   23.906  694.953   13.280  696.247   13.256 -1.293457 18.76341 
1 1 1    5    3    5 o  345.465   7.8815  154.654   7.0529  155.028   10.045  154.292   9.9051  345.786   11.215  344.969   11.085 0.8175049 15.76841 
1 1 1    5    3    6 o  302.256   15.549  118.900   12.132  118.900   12.132   0.0000   0.0000  302.256   15.549  ?   ?  0.000000 15.54887 
1 1 1    5    3    7 f  533.003   9.9596  368.315   13.751  354.700   23.193  375.694   17.075  522.542   17.135  538.177   12.249 -15.63489 21.06295 
1 1 1    5    3    8 o  196.061   9.3110   49.835   4.7287   51.850   8.3966   48.900   5.7224  199.103   16.427  193.825   11.448 5.278137 20.02323 
1 1 1    5    3    9 o  279.180   7.9478  101.033   5.7476  106.610   8.2626   95.805   8.0003  286.663   11.127  271.738   11.366 14.92435 15.90611 
1 1 1    5    3   10 o  370.624   11.500  178.310   11.040  187.600   16.016  169.900   15.239  379.723   16.283  361.366   16.280 18.35675 23.02568 
1 1 1    5    3   11 o  232.373   9.7958   70.085   5.8962   69.602   7.2877   71.000   10.033  231.114   12.217  232.816   16.748 -1.702271 20.73014 
1 1 1    5    3   12 o  285.165   11.740  105.709   8.6717  110.100   12.322  101.400   12.206  290.056   16.468  278.222   17.019 11.83365 23.68191 
1 1 1    5    3   13 o  111.957   12.285   16.495   3.5041   16.169   5.1664   16.773   4.7686  109.688   18.864  112.129   16.947 -2.440498 25.35813 
1 1 1    5    3   14 o  268.397   8.6213   93.466   5.9938  101.741   8.6518   85.829   8.3114  279.798   11.938  256.947   12.488 22.85095 17.27554 
1 1 1    5    3   15 o  414.210   8.6964  222.518   9.3306  223.472   13.343  221.607   13.053  414.795   12.418  413.081   12.199 1.714020 17.40777 
1 1 1    5    3   16 o  461.794   10.243  276.597   12.253  265.400   21.509  281.977   14.908  451.623   18.387  466.110   12.348 -14.48691 22.14807 
1 1 1    5    3   17 o  496.544   10.470  319.708   13.466  309.100   23.417  324.950   16.460  487.617   18.540  500.458   12.698 -12.84082 22.47111 
1 1 1    5    3   18 o  1267.07   13.668  2082.97   44.859  2039.62   62.372  2129.42   64.564  1252.74   19.221  1279.96   19.474 -27.22180 27.36205 
1 1 1    5    3   19 o  701.111   10.085  637.216   18.316  620.401   25.669  654.657   26.143  691.480   14.331  710.325   14.208 -18.84509 20.18037 
1 1 1    5    3   20 o  604.230   10.117  473.283   15.834  481.620   22.704  465.386   22.095  609.245   14.386  598.900   14.243 10.34515 20.24413 
1 1 1    5    3   21 o  658.543   14.519  562.802   24.766  526.400   34.767  600.300   35.287  636.186   21.098  679.515   20.048 -43.32874 29.10395 
1 1 1    5    3   22 o  620.575   11.504  499.470   18.492  508.356   22.921  482.900   31.298  625.851   14.139  609.365   19.828 16.48523 24.35297 
1 1 1    5    3   23 o  663.043   10.113  570.060   17.369  567.544   24.626  572.549   24.501  661.178   14.379  664.102   14.243 -2.923950 20.23898 
1 1 1    5    3   24 o  893.696   11.331  1036.16   26.231  1024.44   36.920  1048.11   37.276  887.881   16.053  898.083   16.024 -10.20258 22.68171 
1 1 1    5    3   25 o  480.902   9.9975  299.968   12.454  300.411   17.789  299.542   17.440  480.889   14.281  480.219   14.020 0.6698914 20.01317 
1 1 1    5    3   26 o  554.298   9.9632  398.598   14.305  394.330   20.392  402.733   20.073  550.834   14.292  556.722   13.919 -5.887756 19.95010 
1 1 1    5    3   27 o  553.205   9.9944  397.136   14.322  389.766   20.170  404.630   20.339  547.501   14.222  557.866   14.075 -10.36505 20.00945 
1 1 1    5    3   28 o  433.070   10.226  243.493   11.472  243.968   16.279  243.024   16.169  432.962   14.515  432.134   14.445 0.8285522 20.47788 
1 1 1    5    3   29 o  215.767   12.643   60.770   7.0355   62.520   10.686   59.432   9.3471  217.785   19.137  212.676   17.112 5.108704 25.67213 
1 1 1    5    3   30 o  437.995   11.918  249.678   13.522  260.866   16.935  230.000   22.459  447.150   14.621  418.322   20.727 28.82816 25.36498 
1 1 1    5    3   31 o  314.212   23.750  131.600   19.187   0.0000   0.0000  131.600   19.187  ?   ?   314.212   23.750 0.000000 23.74950 
1 1 1    5    3   32 o  222.782   13.636   65.118   7.8309   65.267   11.419   64.986   10.760  221.381   20.133  221.240   18.958 0.1405487 27.65419 
1 1 1    5    3   33 o  128.375   21.149   22.426   6.7876   17.489   9.4452   27.699   9.7609  111.386   31.390  140.944   27.724 -29.55768 41.87986 
1 1 1    5    3   34 o  286.760   11.536  107.433   8.5690  108.102   12.154  106.772   12.084  285.916   16.480  284.143   16.489 1.773193 23.31227 
1 1 1    5    3   35 o  201.493   14.124   53.620   7.3252   56.814   10.047   49.995   10.703  205.845   19.059  191.930   21.922 13.91472 29.04835 
1 1 1    5    3   36 o  116.788   20.536   18.790   5.9856   22.323   8.2475   14.858   8.7004  125.543   26.208  101.983   30.541 23.55997 40.24448 
1 1 1    5    3   37 o   91.148   24.842   11.815   6.0257   5.5343   7.7810   21.223   9.5240   73.648   28.555  120.239   30.525 -46.59037 41.79874 
1 1 1    5    3   38 o  146.251   16.230   28.866   6.0448   32.735   8.7622   25.353   8.3499  153.055   22.797  133.335   25.097 19.71919 33.90515 
1 1 1    5    3   39 o  102.821   26.555   15.493   7.1220   10.335   8.5036   27.610   13.035   86.739   30.510  132.251   36.736 -45.51191 47.75388 
1 1 1    5    3   40 o  117.012   39.200   22.050   13.991   0.0000   0.0000   22.050   13.991  ?   ?   117.012   39.200 0.000000 39.20021 
1 1 1    5    3   41 o  148.446   19.019   30.586   7.1451   33.757   10.974   28.253   9.4137  149.697   29.351  137.942   27.312 11.75520 40.09254 
1 1 1    5    3   42 o  199.651   16.197   54.359   8.3044   55.300   11.638   53.382   11.853  196.274   23.349  191.987   24.385 4.287628 33.76134 
1 1 1    5    3   43 o   91.998   28.924   13.139   7.6842   19.507   11.170   7.4174   10.588  107.961   34.975   79.862   32.527 28.09853 47.76281 
1 1 1    5    3   44 o   44.148   21.283  -9.0284   7.2580  -7.2930   10.899 -10.4110   9.7288   58.386   27.559   51.686   24.847 6.699944 37.10627 
1 1 1    5    3   45 o   90.493   29.583   13.341   7.9834   21.056   11.906   7.0393   10.761  107.619   36.160   77.185   32.243 30.43353 48.44750 
1 1 1    5    3   46 o  119.375   28.434   23.309   8.6667   20.677   12.185   26.003   12.330  104.711   36.538  117.433   36.593 -12.72200 51.71159 
1 1 1    5    3   47 o  129.732   25.588   26.711   8.2931   33.040   11.792   20.517   11.666  135.331   33.752  103.144   35.766 32.18727 49.17710 
1 1 1    5    3   48 o   86.965   37.643   14.130   15.602   0.0000   0.0000   14.130   15.602  ?   ?    86.965   37.643 0.000000 37.64283 
1 1 1    5    4    0 o  347.238   16.436  156.500   14.783  156.500   14.783   0.0000   0.0000  347.238   16.436  ?   ?  0.000000 16.43614 
1 1 1    5    4    1 o  1099.41   12.148  1567.31   34.596  1558.19   48.671  1576.62   49.185  1095.56   17.151  1102.00   17.231 -6.446289 24.31134 
1 1 1    5    4    2 o  779.645   9.9172  787.888   20.028  794.172   28.460  781.723   28.189  782.431   14.042  776.277   14.019 6.154480 19.84238 
1 1 1    5    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4    4 o  881.981   10.619  1008.48   24.260  1009.66   34.329  1007.30   34.289  882.063   15.025  881.029   15.025 1.034546 21.24850 
1 1 1    5    4    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4    6 o  549.256   8.7473  391.021   12.445  390.668   17.631  391.372   17.569  548.798   12.403  549.295   12.348 -0.4976196 17.50147 
1 1 1    5    4    7 o  634.295   9.1449  521.560   15.025  529.900   30.150  518.804   17.331  638.471   18.230  632.519   10.578 5.951904 21.07672 
1 1 1    5    4    8 o  450.284   8.4505  262.837   9.8564  288.400   20.080  254.723   11.313  471.075   16.456  443.206   9.8543 27.86829 19.18106 
1 1 1    5    4    9 o  847.239   14.785  932.791   32.446  962.400   46.894  905.600   44.940  859.102   21.073  833.433   20.817 25.66919 29.62091 
1 1 1    5    4   10 o  337.527   11.642  147.940   10.179  149.800   14.435  146.100   14.356  339.198   16.429  334.970   16.545 4.227661 23.31601 
1 1 1    5    4   11 o  393.979   11.704  201.714   11.944  198.200   16.807  205.300   16.977  389.859   16.643  396.800   16.518 -6.941742 23.44859 
1 1 1    5    4   12 o  198.332   10.629   51.251   5.4407   51.795   6.7248   50.220   9.2569  199.076   13.114  195.129   18.537 3.947067 22.70706 
1 1 1    5    4   13 o  290.258   8.5256  109.330   6.4100  113.552   9.2739  105.468   8.8698  295.514   12.115  284.809   12.023 10.70496 17.06842 
1 1 1    5    4   14 o  331.971   8.6056  142.968   7.4000  142.031   10.622  143.851   10.315  330.587   12.404  332.738   11.968 -2.150940 17.23646 
1 1 1    5    4   15 o  831.776   10.534  897.763   22.695  900.368   32.257  895.208   31.938  832.175   14.964  829.810   14.859 2.365356 21.08809 
1 1 1    5    4   16 o  828.497   10.542  890.278   22.624  905.992   32.489  875.482   31.524  835.162   15.018  821.009   14.823 14.15222 21.10132 
1 1 1    5    4   17 o  352.223   10.406  160.859   9.4942  166.500   17.189  158.383   11.389  357.421   18.631  349.411   12.584 8.010803 22.48209 
1 1 1    5    4   18 o  693.512   11.451  623.676   20.571  666.100   37.312  605.150   24.657  715.799   20.124  682.933   13.938 32.86572 24.47914 
1 1 1    5    4   19 o  763.685   10.434  756.086   20.641  748.731   29.161  763.472   29.222  759.586   14.821  767.038   14.707 -7.452148 20.87976 
1 1 1    5    4   20 o  483.043   11.707  302.573   14.649  285.211   17.832  338.600   25.687  468.812   14.685  510.436   19.428 -41.62363 24.35330 
1 1 1    5    4   21 o  1004.72   13.807  1309.82   35.932  1339.00   63.495  1296.08   43.581  1013.90   24.176  998.977   16.842 14.92334 29.46445 
1 1 1    5    4   22 o  576.611   11.419  431.217   17.055  418.414   20.759  457.800   29.914  567.777   14.115  593.326   19.464 -25.54932 24.04302 
1 1 1    5    4   23 o  489.778   9.7692  311.040   12.394  307.375   17.625  314.626   17.432  486.591   13.984  492.323   13.669 -5.731781 19.55458 
1 1 1    5    4   24 o  434.116   9.9692  244.407   11.210  248.666   16.167  240.463   15.558  437.576   14.263  430.323   13.958 7.252838 19.95636 
1 1 1    5    4   25 o  169.053   15.823   37.477   6.8483   39.845   9.8274   35.242   9.5486  173.328   22.414  162.669   23.329 10.65952 32.35155 
1 1 1    5    4   26 o  299.060   11.314  116.094   8.7646  117.845   12.682  114.492   12.127  300.504   16.354  296.254   15.860 4.249878 22.78157 
1 1 1    5    4   27 o  850.881   11.216  940.078   24.721  935.451   35.037  944.664   34.885  847.682   15.957  851.886   15.809 -4.204224 22.46186 
1 1 1    5    4   28 o  106.298   22.500   15.360   6.0020   13.221   9.0693   17.027   8.0060  100.198   31.410  111.473   27.816 -11.27563 41.95637 
1 1 1    5    4   29 f  397.695   10.401  205.488   10.715  199.990   15.196  210.923   15.110  391.679   14.978  402.325   14.499 -10.64557 20.84631 
1 1 1    5    4   30 o   64.630   27.245   0.8319   7.7935  -2.4900   15.739   1.9110   8.9705   84.959   37.272   71.076   29.543 13.88276 47.56026 
1 1 1    5    4   31 o  236.072   17.807   73.579   10.809   77.750   14.965   69.030   15.629  240.779   24.327  225.736   27.283 15.04245 36.55349 
1 1 1    5    4   32 o  120.686   22.450   19.934   6.7598   17.395   9.7792   22.257   9.3545  111.478   32.115  125.959   29.234 -14.48046 43.42857 
1 1 1    5    4   33 o  107.742   24.974   16.179   6.8338   20.972   9.7014   11.458   9.6278  121.581   30.777   94.310   32.504 27.27051 44.76258 
1 1 1    5    4   34 o  274.555   12.056   98.586   8.5741  102.994   12.287   94.402   11.971  278.769   17.098  266.728   17.422 12.04111 24.41028 
1 1 1    5    4   35 o  127.689   21.187   22.365   6.7619   23.186   9.4606   21.507   9.6683  127.350   29.290  122.234   30.605 5.115387 42.36225 
1 1 1    5    4   36 o   81.859   25.313   9.2351   5.9128   12.350   8.4722   6.2775   8.2560   94.192   30.455   77.064   29.537 17.12737 42.42557 
1 1 1    5    4   37 o  205.279   14.495   56.028   7.6580   48.820   10.741   63.480   10.922  188.145   22.485  216.274   19.712 -28.12956 29.90165 
1 1 1    5    4   38 o   65.253   25.401   4.2041   6.1760   1.8681   9.0018   6.2815   8.4890   68.547   29.109   76.624   29.793 -8.077263 41.65254 
1 1 1    5    4   39 o  146.108   22.631   30.078   8.2880   32.025   10.362   26.620   13.809  147.831   28.086  128.780   38.457 19.05060 47.62090 
1 1 1    5    4   40 o  165.983   24.896   39.539   10.374   21.780   14.024   61.000   15.417  116.156   39.244  202.402   30.340 -86.24522 49.60446 
1 1 1    5    4   41 o  136.184   22.259   26.460   7.5809   32.855   11.168   20.997   10.324  146.722   30.385  115.350   32.926 31.37208 44.80386 
1 1 1    5    4   42 o   99.590   27.451   15.130   7.3092   15.431   10.585   14.856   10.105   98.966   34.084   97.469   33.310 1.496483 47.65772 
1 1 1    5    4   43 o  153.525   19.090   33.229   7.4278   45.458   11.066   23.201   10.021  175.065   25.122  119.497   31.811 55.56807 40.53467 
1 1 1    5    4   44 f  111.925   26.776   19.561   7.6586   32.122   10.781   6.7672   10.881  141.166   30.384   77.758   32.447 63.40758 44.45227 
1 1 1    5    4   45 o  101.501   28.325   16.755   7.7304   15.312   10.293   18.622   11.708   94.521   33.533  101.656   35.795 -7.134827 49.04826 
1 1 1    5    4   46 o   94.601   28.332   14.811   7.4872   25.683   10.905   5.1160   10.298  119.763   33.721   71.955   30.858 47.80843 45.70900 
1 1 1    5    4   47 o   63.237   27.358   2.9521   8.2327   1.7279   11.304   4.3348   12.014   67.605   30.491   72.344   32.113 -4.738525 44.28271 
1 1 1    5    4   48 o   58.998   27.932  -4.7962   11.350   0.0000   0.0000  -4.7962   11.350  ?   ?    58.998   27.932 0.000000 27.93153 
1 1 1    5    5    0 o  889.496   10.702  1025.74   24.659  1056.91   35.640  997.105   34.154  902.456   15.246  876.574   15.042 25.88214 21.41729 
1 1 1    5    5    1 o  406.791   11.489  214.565   12.107  214.565   12.107   0.0000   0.0000  406.791   11.489  ?   ?  0.000000 11.48946 
1 1 1    5    5    2 o  381.486   11.446  188.703   11.311   0.0000   0.0000  188.703   11.311  ?   ?   381.486   11.446 0.000000 11.44630 
1 1 1    5    5    3 o  682.285   9.3961  603.394   16.606  601.506   23.439  605.296   23.529  680.943   13.289  683.084   13.298 -2.140869 18.79969 
1 1 1    5    5    4 o  194.916   12.077   49.462   6.0676   49.462   6.0676   0.0000   0.0000  194.916   12.077  ?   ?  0.000000 12.07714 
1 1 1    5    5    5 o  584.654   8.9486  443.067   13.552  441.877   19.171  444.256   19.160  583.631   12.681  585.203   12.640 -1.572388 17.90455 
1 1 1    5    5    6 o  739.874   9.8121  709.738   18.805  706.953   26.552  712.540   26.636  738.027   13.889  740.939   13.879 -2.911743 19.63461 
1 1 1    5    5    7 o  322.921   9.5114  135.208   7.9560  137.900   13.783  133.863   9.7429  325.351   16.408  321.218   11.709 4.132416 20.15781 
1 1 1    5    5    8 o  559.182   12.462  405.890   18.051  421.200   25.980  391.600   25.100  568.988   17.627  548.626   17.662 20.36200 24.95331 
1 1 1    5    5    9 o  537.374   8.9028  374.539   12.392  355.800   24.051  381.312   14.460  522.644   17.765  542.080   10.298 -19.43665 20.53412 
1 1 1    5    5   10 o  366.155   9.9968  174.036   9.4815  179.200   16.267  171.380   11.668  370.757   16.938  363.126   12.405 7.631683 20.99518 
1 1 1    5    5   11 o  634.542   13.141  523.921   21.600  514.600   30.263  533.600   30.838  627.403   18.622  638.876   18.635 -11.47333 26.34408 
1 1 1    5    5   12 o  469.821   12.286  287.103   14.951  287.103   14.951   0.0000   0.0000  469.821   12.286  ?   ?  0.000000 12.28554 
1 1 1    5    5   13 o   64.068   22.245   4.8418   4.5136   0.0000   0.0000   4.8418   4.5136  ?   ?    64.068   22.245 0.000000 22.24535 
1 1 1    5    5   14 o  619.478   9.3629  497.895   15.024  504.173   21.452  491.851   21.048  622.814   13.297  615.171   13.209 7.643616 18.74281 
1 1 1    5    5   15 o  319.759   9.0490  132.591   7.4950  130.356   10.804  134.665   10.406  316.829   13.165  322.067   12.474 -5.238190 18.13577 
1 1 1    5    5   16 o  635.493   9.5657  523.617   15.746  531.742   22.570  515.913   21.979  640.047   13.614  630.465   13.458 9.582703 19.14312 
1 1 1    5    5   17 o  337.322   9.1055  147.492   7.9561  143.089   11.485  151.555   11.032  332.090   13.351  341.813   12.460 -9.722931 18.26213 
1 1 1    5    5   18 o  681.704   11.486  602.614   20.282  608.100   35.839  600.029   24.600  683.928   20.230  680.043   13.966 3.885071 24.58215 
1 1 1    5    5   19 o  514.854   11.157  343.697   14.880  344.200   26.845  343.474   17.877  514.579   20.140  514.559   13.413 0.2069092E-01 24.19741 
1 1 1    5    5   20 o  1134.41   18.332  1671.94   53.869  1642.00   75.492  1703.00   76.893  1122.45   25.965  1143.11   25.969 -20.65820 36.72231 
1 1 1    5    5   21 o  704.710   20.384  645.900   37.209  645.900   37.209   0.0000   0.0000  704.710   20.384  ?   ?  0.000000 20.38404 
1 1 1    5    5   22 o  469.638   9.6965  285.960   11.796  283.372   16.777  288.489   16.588  467.252   13.862  471.472   13.583 -4.219635 19.40733 
1 1 1    5    5   23 o  337.916   10.330  148.087   9.0419  145.498   12.957  150.544   12.624  334.706   14.944  340.499   14.313 -5.793701 20.69311 
1 1 1    5    5   24 o  389.295   10.164  196.566   10.249  201.415   14.843  192.146   14.171  393.768   14.552  384.627   14.223 9.141205 20.34843 
1 1 1    5    5   25 o  277.351   10.908   99.816   7.8367   95.258   11.615  103.625   10.617  270.093   16.684  282.009   14.584 -11.91547 22.15988 
1 1 1    5    5   26 o  464.606   10.088  280.088   12.140  270.247   17.309  289.617   17.032  455.902   14.657  472.047   13.929 -16.14435 20.22016 
1 1 1    5    5   27 o  376.709   10.457  184.221   10.204  200.143   14.900  170.161   14.002  392.211   14.667  361.611   14.949 30.60046 20.94230 
1 1 1    5    5   28 o  465.836   10.221  281.793   12.334  282.924   17.525  280.682   17.362  466.147   14.514  464.310   14.436 1.837280 20.47024 
1 1 1    5    5   29 o  159.020   16.949   33.404   6.8738   43.859   9.8844   23.612   9.5657  181.540   21.433  130.898   28.977 50.64177 36.04244 
1 1 1    5    5   30 o  470.684   14.778  289.307   18.017  306.900   27.061  275.300   24.147  482.517   21.651  457.458   20.378 25.05969 29.73310 
1 1 1    5    5   31 o  207.424   19.260   57.131   10.230   67.440   14.164   45.890   14.791  223.785   24.855  181.444   32.671 42.34076 41.05117 
1 1 1    5    5   32 o  197.595   15.045   51.471   7.6426   58.375   10.938   44.886   10.683  209.016   20.465  182.212   23.157 26.80360 30.90422 
1 1 1    5    5   33 o  302.762   11.710  119.721   9.1832  121.526   13.134  117.996   12.845  303.260   16.785  298.854   16.659 4.406189 23.64888 
1 1 1    5    5   34 o  234.818   13.016   72.471   7.8858   75.258   11.069   69.599   11.237  237.706   18.113  228.158   19.193 9.548218 26.39038 
1 1 1    5    5   35 o  305.983   11.599  122.564   9.1930  113.590   13.081  131.322   12.922  292.168   17.362  314.884   15.894 -22.71603 23.53896 
1 1 1    5    5   36 o   47.894   21.983  -3.9552   6.2085  -0.9118   8.8828  -6.8619   8.6809   63.915   28.021   54.346   25.310 9.569054 37.75930 
1 1 1    5    5   37 o  202.517   14.308   54.541   7.4575   62.604   11.323   48.363   9.9105  214.128   20.671  187.977   20.697 26.15114 29.25141 
1 1 1    5    5   38 o  143.092   19.929   28.258   7.1862   35.414   10.270   21.393   10.059  157.307   26.120  119.076   31.949 38.23026 41.26720 
1 1 1    5    5   39 o  101.351   33.063   15.411   9.9739   23.180   16.276   10.740   12.621  119.745   42.201   92.719   36.250 27.02522 55.63247 
1 1 1    5    5   40 o  131.775   30.202   26.364   10.089   27.340   13.734   25.220   14.869  129.075   38.308  123.156   40.378 5.919640 55.65851 
1 1 1    5    5   41 f   98.556   26.575   14.561   6.9392   4.3902   10.876   21.545   9.0119   76.321   32.179  118.520   29.477 -42.19939 43.63947 
1 1 1    5    5   42 o  102.071   27.840   16.012   7.5643   22.617   11.026   10.140   10.397  117.417   34.182   85.965   33.097 31.45207 47.57963 
1 1 1    5    5   43 o   67.500   26.822   5.0397   7.0109   1.9745   10.890   7.2097   9.1624   70.595   30.986   76.724   30.607 -6.129173 43.55334 
1 1 1    5    5   44 o  142.088   32.994   33.860   11.911   33.860   11.911   0.0000   0.0000  142.088   32.994  ?   ?  0.000000 32.99432 
1 1 1    5    5   45 f  159.333   19.954   36.770   8.0549   31.222   11.844   41.543   10.987  133.397   34.135  162.851   26.991 -29.45404 43.51726 
1 1 1    5    5   46 o   46.950   22.445  -7.3290   7.6976 -27.2029   10.220   18.729   11.702   40.974   20.658   99.965   35.723 -58.99137 41.26658 
1 1 1    5    5   47 o  158.204   24.239   38.991   9.6167   40.679   12.685   36.710   14.747  150.624   33.389  132.739   39.764 17.88512 51.92260 
1 1 1    5    5   48 o   74.959   32.815   7.4606   12.142   0.0000   0.0000   7.4606   12.142  ?   ?    74.959   32.815 0.000000 32.81478 
1 1 1    5    6    0 f  901.692   10.827  1054.19   25.288  1065.01   36.028  1043.68   35.504  905.799   15.355  896.695   15.286 9.104126 21.66636 
1 1 1    5    6    1 o  458.132   8.4050  272.016   9.9742  314.240   14.820  237.057   13.485  492.257   11.623  427.523   12.177 64.73383 16.83389 
1 1 1    5    6    2 o  963.881   15.912  1206.24   39.728  1206.24   39.728   0.0000   0.0000  963.881   15.912  ?   ?  0.000000 15.91203 
1 1 1    5    6    3 o  571.665   8.8922  423.594   13.167  429.118   18.752  418.221   18.494  575.151   12.587  567.802   12.574 7.348938 17.79143 
1 1 1    5    6    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6    5 o  415.778   16.552  224.600   17.826  224.600   17.826   0.0000   0.0000  415.778   16.552  ?   ?  0.000000 16.55163 
1 1 1    5    6    6 o  219.738   12.226   62.849   6.9312   63.680   9.9009   62.050   9.7064  220.627   17.467  217.781   17.350 2.845993 24.62003 
1 1 1    5    6    7 o  289.418   10.051  108.646   7.5352  107.333   9.4791  110.900   12.420  287.536   12.727  291.578   16.512 -4.041901 20.84764 
1 1 1    5    6    8 o  413.512   8.6531  221.754   9.2685  221.152   13.175  222.343   13.042  412.669   12.325  413.794   12.167 -1.124084 17.31904 
1 1 1    5    6    9 o  597.685   10.658  463.817   16.500  469.700   28.509  460.854   20.233  599.999   18.343  595.390   13.119 4.608337 22.55201 
1 1 1    5    6   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6   11 o  398.636   10.319  206.442   10.655  194.200   18.254  212.768   13.122  385.381   18.286  404.406   12.527 -19.02460 22.16553 
1 1 1    5    6   12 o  202.248   11.003   53.309   5.7425   56.460   10.528   51.974   6.8516  206.747   19.904  199.398   13.342 7.349045 23.96208 
1 1 1    5    6   13 o  533.330   9.0073  369.080   12.443  354.780   17.363  384.181   17.842  522.397   12.831  543.637   12.670 -21.24017 18.03276 
1 1 1    5    6   14 o  685.476   9.7362  609.597   17.287  612.245   24.528  606.985   24.369  686.375   13.796  683.425   13.766 2.949646 19.48903 
1 1 1    5    6   15 o  495.124   9.0479  317.860   11.604  322.712   16.621  313.246   16.208  498.603   12.869  491.247   12.738 7.356354 18.10683 
1 1 1    5    6   16 o  584.312   9.4170  442.624   14.253  443.155   20.320  442.110   19.998  584.368   13.424  583.695   13.227 0.6729126 18.84527 
1 1 1    5    6   17 o  960.343   11.495  1195.99   28.596  1182.44   40.214  1209.86   40.671  954.275   16.269  965.274   16.266 -10.99872 23.00562 
1 1 1    5    6   18 o  190.049   12.265   47.038   6.0057   36.011   8.6590   57.259   8.3368  165.146   20.696  209.464   15.475 -44.31833 25.84209 
1 1 1    5    6   19 o  887.854   16.225  1023.42   37.315  1004.00   52.660  1043.00   52.883  878.295   23.147  895.255   22.805 -16.96039 32.49355 
1 1 1    5    6   20 o  371.811   11.916  179.292   11.476  151.300   21.193  190.906   13.651  339.979   24.224  383.577   13.739 -43.59827 27.84909 
1 1 1    5    6   21 o  192.441   18.406   48.572   9.0633   48.890   13.096   48.280   12.556  191.688   27.133  190.651   26.111 1.037277 37.65635 
1 1 1    5    6   22 o  331.174   10.321  142.225   8.8538  147.159   13.066  138.036   12.039  336.636   14.984  326.075   14.254 10.56094 20.68069 
1 1 1    5    6   23 o  473.419   9.9676  290.655   12.223  295.825   17.704  285.945   16.897  477.281   14.320  469.279   13.900 8.001556 19.95696 
1 1 1    5    6   24 o  535.937   9.9247  372.545   13.778  391.014   19.836  355.329   19.152  548.671   13.957  523.016   14.136 25.65503 19.86549 
1 1 1    5    6   25 o  305.697   11.174  121.286   8.8483  126.670   12.768  116.311   12.274  311.678   15.867  298.621   15.925 13.05734 22.48021 
1 1 1    5    6   26 o  339.498   10.836  149.615   9.5295  149.253   13.615  149.964   13.343  338.685   15.519  339.525   15.171 -0.8397827 21.70281 
1 1 1    5    6   27 o  197.607   14.345   51.072   7.2928   50.170   10.327   51.970   10.300  194.797   20.788  198.385   20.331 -3.587830 29.07726 
1 1 1    5    6   28 o  301.508   10.994  118.121   8.5864  119.280   11.855  116.843   12.453  302.165   15.195  298.886   16.144 3.278198 22.17054 
1 1 1    5    6   29 o  101.626   27.315   14.171   7.3452   12.790   9.2638   16.510   12.054   98.769   31.837  111.801   36.342 -13.03127 48.31451 
1 1 1    5    6   30 o  247.884   14.659   80.546   9.3708   71.120   18.915   83.612   10.788  227.312   33.095  252.153   16.609 -24.84026 37.02924 
1 1 1    5    6   31 o   59.678   26.508  -2.5155   8.1992   5.6100   10.656 -14.3100   12.838   83.208   33.065   62.426   29.598 20.78215 44.37741 
1 1 1    5    6   32 o  396.827   10.880  205.317   11.183  203.625   15.943  206.956   15.691  393.795   15.630  397.132   15.253 -3.336731 21.83929 
1 1 1    5    6   33 o   54.792   23.742  -0.5174   6.2194  -0.9480   9.0071  -0.1249   8.5983   65.046   28.374   65.037   28.048 0.9727478E-02 39.89719 
1 1 1    5    6   34 o  366.592   10.792  175.530   10.248  192.902   14.825  159.634   14.181  382.829   14.950  347.958   15.734 34.87128 21.70411 
1 1 1    5    6   35 o  251.215   12.857   83.071   8.3381   77.167   11.900   88.765   11.686  239.676   19.333  257.927   17.597 -18.25070 26.14191 
1 1 1    5    6   36 o  331.295   11.359  143.928   9.7475  153.858   14.023  134.644   13.559  340.523   15.898  317.855   16.525 22.66806 22.93084 
1 1 1    5    6   37 o   68.688   25.710   5.3374   6.1691   1.8146   9.3920   8.0108   8.1816   69.839   29.697   80.617   29.719 -10.77817 42.01351 
1 1 1    5    6   38 o  247.530   13.351   81.378   8.5284   80.918   11.936   81.858   12.190  243.732   19.058  244.953   19.370 -1.221268 27.17320 
1 1 1    5    6   39 o   78.860   28.812   8.0512   7.6654   9.7360   14.635   7.4143   8.9985   93.467   38.175   79.588   30.749 13.87939 49.01874 
1 1 1    5    6   40 o  153.545   26.417   34.492   10.128   29.790   13.755   40.060   14.968  134.621   37.861  157.240   37.310 -22.61823 53.15536 
1 1 1    5    6   41 o  163.962   17.844   37.094   7.4561   47.697   11.199   28.651   9.9931  181.626   24.422  137.187   29.027 44.43877 37.93441 
1 1 1    5    6   42 o  162.558   18.295   36.826   7.5699   30.992   10.773   42.516   10.639  140.607   30.459  170.021   24.896 -29.41335 39.33859 
1 1 1    5    6   43 o  196.133   16.729   53.238   8.4176   51.721   11.539   54.963   12.307  186.841   24.426  191.715   25.408 -4.874008 35.24535 
1 1 1    5    6   44 o   73.568   27.609   7.5814   7.1227  -1.1918   9.9882   16.659   10.160   62.686   28.430   98.702   33.403 -36.01601 43.86380 
1 1 1    5    6   45 o  103.219   29.044   17.667   8.0928   25.295   10.920   8.3738   12.054  119.359   33.792   80.321   33.872 39.03804 47.84554 
1 1 1    5    6   46 o   60.263   26.164   2.0257   7.5830   2.4933   10.351   1.4841   11.141   67.350   29.857   67.460   30.362 -0.1101379 42.58249 
1 1 1    5    6   47 o   40.065   19.977 -17.4999   8.3496 -22.6374   9.8063  -3.9570   15.922   41.670   20.905   68.895   32.751 -27.22496 38.85433 
1 1 1    5    6   48 o   94.704   30.104   16.436   8.3051   29.870   14.997   10.493   9.9743  111.804   40.384   78.269   31.683 33.53468 51.32907 
1 1 1    5    7    0 o  1035.35   16.635  1392.49   44.613  1389.00   63.014  1396.00   63.170  1032.50   23.561  1035.10   23.560 -2.598633 33.31960 
1 1 1    5    7    1 o  1208.25   18.444  1897.79   57.723  1969.00   84.323  1835.00   79.185  1228.29   26.503  1186.00   25.776 42.28711 36.97013 
1 1 1    5    7    2 o  854.716   14.848  948.504   32.873  963.000   46.981  934.600   46.012  860.141   21.087  847.388   20.963 12.75342 29.73333 
1 1 1    5    7    3 o  719.337   13.654  671.637   25.441  650.400   35.296  694.600   36.702  707.107   19.271  730.719   19.391 -23.61206 27.33770 
1 1 1    5    7    4 o  675.123   10.986  591.208   19.213  573.823   23.254  628.600   34.103  664.867   13.502  695.114   18.940 -30.24713 23.26055 
1 1 1    5    7    5 o  731.061   9.8860  693.130   18.721  697.799   26.569  688.526   26.382  733.023   13.993  728.137   13.988 4.886353 19.78538 
1 1 1    5    7    6 o  626.144   9.3471  508.465   15.160  519.524   21.722  497.963   21.168  632.479   13.259  619.224   13.197 13.25543 18.70710 
1 1 1    5    7    7 o  835.568   14.951  907.978   32.360  907.978   32.360   0.0000   0.0000  835.568   14.951  ?   ?  0.000000 14.95141 
1 1 1    5    7    8 o   38.262   17.830  -4.0433   4.3189  -3.9553   5.2337  -4.2310   7.6463   43.691   20.102   55.048   24.929 -11.35760 32.02407 
1 1 1    5    7    9 o  409.013   18.330  218.600   19.420   0.0000   0.0000  218.600   19.420  ?   ?   409.013   18.330 0.000000 18.33034 
1 1 1    5    7   10 o  202.357   14.178   53.600   7.3845   0.0000   0.0000   53.600   7.3845  ?   ?   202.357   14.178 0.000000 14.17759 
1 1 1    5    7   11 o  481.953   17.919  303.600   22.370  303.600   22.370   0.0000   0.0000  481.953   17.919  ?   ?  0.000000 17.91857 
1 1 1    5    7   12 o  692.806   9.8754  623.163   17.722  623.300   35.275  623.117   20.497  690.376   19.725  692.495   11.427 -2.118958 22.79607 
1 1 1    5    7   13 o  537.422   9.3016  374.704   12.949  405.000   26.825  365.500   14.785  557.315   18.582  530.629   10.757 26.68542 21.47084 
1 1 1    5    7   14 o  397.016   9.0054  204.400   9.2610  204.557   13.295  204.252   12.908  396.905   12.931  396.637   12.564 0.2672119 18.02955 
1 1 1    5    7   15 o  641.921   13.611  534.883   22.631   0.0000   0.0000  534.883   22.631  ?   ?   641.921   13.611 0.000000 13.61064 
1 1 1    5    7   16 o  255.622   10.115   84.718   6.6972   83.511   9.6116   85.857   9.3370  253.220   14.717  256.824   14.089 -3.603912 20.37399 
1 1 1    5    7   17 o  384.232   9.3469  191.367   9.3027  183.250   13.113  199.591   13.199  375.826   13.470  392.249   12.991 -16.42300 18.71386 
1 1 1    5    7   18 o  573.485   19.768  427.500   29.366   0.0000   0.0000  427.500   29.366  ?   ?   573.485   19.768 0.000000 19.76814 
1 1 1    5    7   19 o  766.721   12.476  762.493   24.778  781.000   44.210  754.017   29.919  774.760   22.029  762.180   15.155 12.58026 26.73853 
1 1 1    5    7   20 o  454.349   11.614  267.730   13.669  238.800   24.730  280.456   16.402  427.722   22.399  464.901   13.620 -37.17947 26.21503 
1 1 1    5    7   21 o  600.452   14.006  467.987   21.784  486.600   31.889  451.700   29.829  611.560   20.130  589.297   19.541 22.26215 28.05512 
1 1 1    5    7   22 o  641.863   14.252  534.938   23.696   0.0000   0.0000  534.938   23.696  ?   ?   641.863   14.252 0.000000 14.25226 
1 1 1    5    7   23 o  986.338   11.962  1262.51   30.562  1275.45   43.840  1250.28   42.629  990.356   17.090  980.604   16.783 9.751770 23.95228 
1 1 1    5    7   24 o  831.360   11.102  896.887   23.908  903.831   34.376  890.381   33.272  833.724   15.918  827.578   15.521 6.146118 22.23241 
1 1 1    5    7   25 o  297.167   15.394  115.160   11.809   0.0000   0.0000  115.160   11.809  ?   ?   297.167   15.394 0.000000 15.39412 
1 1 1    5    7   26 o  256.039   12.118   85.161   8.0369   93.434   11.978   78.387   10.839  267.204   17.401  244.678   17.211 22.52682 24.47487 
1 1 1    5    7   27 o  272.238   11.636   96.303   8.2055   96.734   12.065   95.932   11.193  271.786   17.227  270.852   16.024 0.9338989 23.52778 
1 1 1    5    7   28 o  145.725   18.160   28.183   6.7063   30.455   9.6053   26.022   9.3674  149.934   25.654  137.999   27.173 11.93404 37.36975 
1 1 1    5    7   29 o  169.947   25.862   39.098   11.026   40.860   18.168   38.070   13.873  169.282   41.705  165.465   33.516 3.817688 53.50325 
1 1 1    5    7   30 o  425.182   10.673  235.291   11.754  237.796   17.414  233.195   15.931  426.204   15.774  422.393   14.560 3.811157 21.46678 
1 1 1    5    7   31 o  293.824   13.922  112.931   10.596  121.441   13.065   96.580   18.110  303.605   16.678  267.107   26.526 36.49789 31.33331 
1 1 1    5    7   32 f  312.609   11.813  127.620   9.5653  136.997   13.925  119.242   13.162  322.139   16.745  300.400   16.985 21.73871 23.85138 
1 1 1    5    7   33 o  291.124   12.043  110.838   9.0815  114.730   13.197  107.337   12.516  294.171   17.397  284.634   17.054 9.537415 24.36187 
1 1 1    5    7   34 o  121.256   21.179   20.207   6.4099   26.333   8.7344   13.057   9.4363  137.309   25.496   97.636   32.175 39.67317 41.05193 
1 1 1    5    7   35 o  236.351   13.263   73.688   8.0870   64.303   11.615   82.517   11.266  217.821   20.841  248.472   17.619 -30.65097 27.29024 
1 1 1    5    7   36 o   73.854   26.557   6.7162   6.4767   20.737   9.3349  -6.2978   8.9935  118.905   30.239   56.094   26.000 62.81065 39.87957 
1 1 1    5    7   37 o  359.445   11.177  169.794   10.407  168.997   14.720  170.592   14.714  355.927   15.966  357.657   15.882 -1.730011 22.52039 
1 1 1    5    7   38 o   64.249   26.345   2.9367   7.0047   10.859   8.7828 -10.9100   11.611   88.414   31.012   59.337   28.138 29.07672 41.87461 
1 1 1    5    7   39 o   78.845   29.790   7.6921   8.3233 -19.9500   16.198   17.610   9.7022   64.558   31.285  107.071   32.294 -42.51335 44.96265 
1 1 1    5    7   40 o  101.271   29.460   15.623   8.1930   21.514   10.158   4.6580   13.859  117.110   32.395   83.048   35.712 34.06215 48.21569 
1 1 1    5    7   41 o   97.560   28.132   14.545   7.5004   4.9483   10.659   23.957   10.556   76.338   32.004  122.388   32.682 -46.04981 45.74253 
1 1 1    5    7   42 o  153.929   20.627   33.773   8.0175   30.493   11.696   36.680   11.012  136.492   33.362  154.474   28.573 -17.98186 43.92551 
1 1 1    5    7   43 o  114.681   26.290   20.339   7.6427   25.164   11.632   16.673   10.139  120.379   35.126   99.719   33.369 20.66032 48.44910 
1 1 1    5    7   44 o  120.290   27.151   22.916   8.2592   26.390   11.449   19.145   11.926  122.153   34.607  102.905   36.135 19.24869 50.03421 
1 1 1    5    7   45 o   47.982   22.677  -5.6975   7.4207   11.963   11.252 -19.2902   9.8717   85.839   34.020   44.417   22.078 41.42205 40.55625 
1 1 1    5    7   46 o  201.691   18.813   58.853   9.7151   61.874   13.572   55.679   13.913  196.006   27.488  181.770   30.638 14.23639 41.16167 
1 1 1    5    7   47 o   83.072   34.510   11.965   12.231   34.950   18.969  -4.3950   16.003  115.170   44.603   68.173   32.527 46.99728 55.20378 
1 1 1    5    7   48 o   77.307   33.219   9.8653   11.977   16.060   16.257   2.5120   17.712   86.615   37.942   73.648   34.875 12.96627 51.53486 
1 1 1    5    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    8    1 o  552.225   12.758  395.807   18.249   0.0000   0.0000  395.807   18.249  ?   ?   552.225   12.758 0.000000 12.75801 
1 1 1    5    8    2 o  1127.00   12.525  1648.55   36.564  1590.01   50.136  1715.05   53.440  1105.67   17.505  1148.20   17.968 -42.52283 25.08573 
1 1 1    5    8    3 o  423.362   8.6462  232.389   9.4817  221.829   13.192  243.676   13.638  413.400   12.319  433.292   12.151 -19.89188 17.30345 
1 1 1    5    8    4 o  917.669   11.067  1092.78   26.308  1081.17   36.899  1104.78   37.519  911.910   15.621  921.792   15.713 -9.882141 22.15663 
1 1 1    5    8    5 o  653.948   9.5524  554.764   16.181  561.700   23.056  548.031   22.715  657.488   13.537  649.444   13.503 8.043640 19.12029 
1 1 1    5    8    6 o  624.059   13.419  506.249   21.692  506.249   21.692   0.0000   0.0000  624.059   13.419  ?   ?  0.000000 13.41933 
1 1 1    5    8    7 f  332.579   10.564  143.640   9.1009  141.965   11.035  147.200   16.092  330.419   12.893  335.231   18.605 -4.811920 22.63570 
1 1 1    5    8    8 o  371.271   13.148  179.375   12.644  169.200   17.573  190.300   18.208  359.186   18.954  381.541   18.424 -22.35446 26.43294 
1 1 1    5    8    9 o  466.650   13.438  283.540   16.243  277.600   22.766  289.700   23.182  460.493   19.086  470.439   19.024 -9.945190 26.94731 
1 1 1    5    8   10 o  187.767   11.409   46.003   5.5227   55.380   10.829   42.707   6.4203  204.493   20.730  180.564   13.832 23.92868 24.92141 
1 1 1    5    8   11 o  747.799   10.145  726.202   19.651  720.100   39.049  728.271   22.740  741.657   20.326  748.526   11.728 -6.869080 23.46713 
1 1 1    5    8   12 o  241.074   10.002   75.429   6.2456   82.430   12.800   73.241   7.1552  250.467   19.893  237.464   11.633 13.00345 23.04424 
1 1 1    5    8   13 o  172.317   12.620   38.766   5.5937   38.550   11.788   38.829   6.3548  169.281   27.851  172.253   14.374 -2.972107 31.34139 
1 1 1    5    8   14 o  291.288   11.811  110.095   8.9120  129.800   15.874  101.025   10.769  315.182   19.540  278.476   14.985 36.70663 24.62426 
1 1 1    5    8   15 o  575.972   10.972  430.227   16.369  421.500   28.789  434.397   19.899  569.286   19.523  578.579   13.278 -9.293152 23.61013 
1 1 1    5    8   16 o  710.509   10.095  654.484   18.578  639.573   26.100  669.799   26.451  702.007   14.353  718.417   14.214 -16.41077 20.20043 
1 1 1    5    8   17 o  397.219   9.4448  204.526   9.7179  201.353   13.765  207.679   13.722  393.953   13.489  400.106   13.240 -6.153137 18.90088 
1 1 1    5    8   18 o  672.776   15.145  587.498   26.393  584.100   37.598  590.800   37.058  670.066   21.662  673.957   21.228 -3.891479 30.32900 
1 1 1    5    8   19 o  636.081   10.189  524.559   16.787  522.980   23.898  526.098   23.586  634.782   14.534  636.693   14.301 -1.911011 20.39021 
1 1 1    5    8   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    8   21 o  427.292   14.372  237.053   15.907  351.200   26.248  170.800   19.997  519.550   19.504  361.525   21.450 158.0253 28.99143 
1 1 1    5    8   22 o  367.953   10.379  175.601   9.8921  155.002   14.157  195.255   13.828  345.371   15.825  387.787   13.766 -42.41641 20.97450 
1 1 1    5    8   23 o  314.573   10.990  128.394   8.9549  133.067   12.945  124.105   12.400  319.953   15.620  308.607   15.563 11.34607 22.04938 
1 1 1    5    8   24 o  117.297   21.666   18.521   6.3405   29.991   8.8262   6.2897   9.1142  149.715   23.536   81.904   31.119 67.81116 39.01699 
1 1 1    5    8   25 o  154.878   18.124   31.681   7.1336   33.726   10.498   29.927   9.7230  158.241   26.553  148.932   26.158 9.309174 37.27365 
1 1 1    5    8   26 o  349.859   15.788  159.405   14.308  159.405   14.308   0.0000   0.0000  349.859   15.788  ?   ?  0.000000 15.78804 
1 1 1    5    8   27 o  252.812   12.465   83.116   8.1627   69.060   11.823   95.918   11.283  228.840   20.151  270.738   16.163 -41.89798 25.83274 
1 1 1    5    8   28 o  102.469   28.436   14.368   7.8137   21.646   9.8973   2.3270   12.731  125.009   30.772   83.688   35.024 41.32037 46.62152 
1 1 1    5    8   29 f  213.079   16.546   59.774   9.0606   56.960   18.976   60.605   10.312  201.408   37.760  214.069   18.787 -12.66107 42.17581 
1 1 1    5    8   30 o   91.588   27.095   11.437   6.8791   14.810   11.890   9.7394   8.4341  106.485   36.134   88.246   30.422 18.23864 47.23507 
1 1 1    5    8   31 f  189.250   15.458   47.299   7.5116   37.405   10.439   57.923   10.817  165.398   25.158  208.194   20.318 -42.79645 32.33797 
1 1 1    5    8   32 o  160.833   17.966   34.579   7.3569   38.350   10.586   31.055   10.231  167.117   25.242  149.283   27.471 17.83395 37.30685 
1 1 1    5    8   33 o  373.125   11.110  181.895   10.738  180.945   15.529  182.766   14.865  370.346   16.187  372.525   15.404 -2.179474 22.34556 
1 1 1    5    8   34 o  138.763   19.968   26.213   6.9704   34.697   9.9468   18.026   9.7709  158.028   25.142  111.756   32.075 46.27271 40.75408 
1 1 1    5    8   35 o  139.488   19.300   26.510   6.7867   28.111   10.152   25.217   9.1253  139.788   28.989  132.878   27.422 6.909393 39.90357 
1 1 1    5    8   36 o  117.798   22.170   19.453   6.5164   21.045   9.7015   18.144   8.7961  119.185   31.097  111.102   29.904 8.083298 43.14225 
1 1 1    5    8   37 o  195.237   14.982   51.013   7.5189   53.312   10.295   48.385   11.008  196.932   20.481  185.932   23.372 10.99994 31.07591 
1 1 1    5    8   38 o  203.169   20.631   57.096   10.707   42.480   15.286   71.170   15.001  163.933   36.890  222.653   26.532 -58.72046 45.44058 
1 1 1    5    8   39 o  115.172   26.265   19.606   7.6620   24.230   12.876   17.072   9.5334  122.106   37.287  105.285   32.069 16.82116 49.18105 
1 1 1    5    8   40 o   95.282   30.997   13.824   8.7685   6.8344   10.632   28.690   15.505   80.308   32.639  128.550   41.162 -48.24162 52.53205 
1 1 1    5    8   41 o  276.012   13.663  102.153   9.7684   98.913   14.035  105.197   13.605  265.316   20.583  275.018   19.218 -9.701660 28.16007 
1 1 1    5    8   42 o  138.806   22.680   28.174   7.8730   35.937   11.620   21.586   10.705  150.307   30.877  113.447   33.855 36.85944 45.82113 
1 1 1    5    8   43 o  158.287   21.259   36.422   8.4961   28.294   11.672   45.583   12.391  127.904   34.456  169.728   29.239 -41.82394 45.19003 
1 1 1    5    8   44 o  150.562   21.184   33.314   8.0334   28.035   11.349   38.615   11.373  126.139   33.974  154.237   29.542 -28.09848 45.02198 
1 1 1    5    8   45 o  174.992   19.451   44.459   8.6678   47.337   11.564   40.768   13.094  172.998   26.663  151.556   34.170 21.44197 43.34186 
1 1 1    5    8   46 o   68.599   27.749   6.1510   7.6450   17.661   10.099  -9.3010   11.701   97.488   33.300   56.432   27.158 41.05603 42.97083 
1 1 1    5    8   47 o   74.628   31.389   8.1798   10.308   24.720   18.488   0.7189   12.417   99.160   41.890   66.775   30.809 32.38531 51.99962 
1 1 1    5    8   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    9    0 o  782.109   10.263  793.647   20.791  785.181   29.201  802.351   29.608  777.237   14.504  785.681   14.549 -8.443970 20.54343 
1 1 1    5    9    1 o  305.698   8.9032  121.200   7.0500  114.428   9.9049  128.153   10.037  296.812   12.883  314.147   12.334 -17.33456 17.83553 
1 1 1    5    9    2 o  132.645   12.616   23.059   4.2826   23.925   6.0995   22.216   6.0144  134.350   17.978  129.288   18.485 5.062180 25.78568 
1 1 1    5    9    3 o  393.294   8.7614  200.634   8.9256  193.447   12.487  208.142   12.763  385.888   12.492  400.294   12.309 -14.40628 17.53774 
1 1 1    5    9    4 o  511.030   9.0362  338.821   11.961  340.425   16.888  337.207   16.944  511.797   12.739  509.358   12.842 2.438751 18.08872 
1 1 1    5    9    5 o  354.571   9.0255  163.146   8.2894  158.600   11.634  167.835   11.814  349.244   12.860  359.286   12.695 -10.04230 18.07013 
1 1 1    5    9    6 o  516.662   13.361  347.389   17.881  358.500   25.475  336.600   25.104  523.637   18.782  507.309   19.104 16.32852 26.79005 
1 1 1    5    9    7 o  288.759   14.021  108.612   10.488  107.300   14.903  109.900   14.761  285.425   20.290  288.983   19.840 -3.557129 28.37778 
1 1 1    5    9    8 o  588.017   11.062  449.482   16.849  463.034   20.825  423.800   28.668  596.280   13.483  568.769   19.458 27.51074 23.67300 
1 1 1    5    9    9 o  594.527   9.5339  459.013   14.682  468.467   21.048  450.054   20.491  599.801   13.547  587.917   13.455 11.88397 19.09380 
1 1 1    5    9   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    9   11 o  280.700   13.709  102.463   9.9680   0.0000   0.0000  102.463   9.9680  ?   ?   280.700   13.709 0.000000 13.70931 
1 1 1    5    9   12 o  632.464   9.8135  518.956   16.077  560.700   33.500  506.466   18.325  655.716   19.724  624.630   11.326 31.08673 22.74415 
1 1 1    5    9   13 o  445.614   9.3313  257.494   10.771  255.200   21.965  258.220   12.359  442.762   19.152  446.157   10.694 -3.394989 21.93528 
1 1 1    5    9   14 o  760.595   10.458  750.203   20.604  807.900   43.038  733.046   23.469  787.768   21.091  751.690   12.053 36.07770 24.29240 
1 1 1    5    9   15 o  736.656   20.885  706.000   39.852  706.000   39.852   0.0000   0.0000  736.656   20.885  ?   ?  0.000000 20.88510 
1 1 1    5    9   16 o  172.939   15.449   39.133   6.8479   69.870   14.953   30.975   7.7032  230.152   25.511  153.084   19.897 77.06760 32.35257 
1 1 1    5    9   17 o  685.812   14.949  610.471   26.556  600.500   37.988  620.000   37.138  679.397   21.586  690.455   20.765 -11.05804 29.95236 
1 1 1    5    9   18 o  176.370   15.757   40.706   7.1228   31.959   10.642   47.804   9.5865  154.210   27.659  190.749   19.685 -36.53886 33.94840 
1 1 1    5    9   19 o  549.062   9.8769  390.855   14.047  400.035   20.218  382.288   19.532  555.175   14.059  542.734   13.893 12.44116 19.76560 
1 1 1    5    9   20 o  1154.95   18.406  1734.47   55.065  1727.00   77.725  1742.00   78.023  1150.16   26.089  1155.15   26.076 -4.988770 36.88565 
1 1 1    5    9   21 o  1052.38   14.318  1438.20   39.032  1416.00   67.467  1449.37   47.853  1041.40   25.010  1055.77   17.498 -14.36987 30.52381 
1 1 1    5    9   22 o  462.537   11.855  277.646   14.203  277.900   25.896  277.536   16.986  461.661   21.655  462.245   14.186 -0.5833130 25.88816 
1 1 1    5    9   23 o  680.316   10.433  600.487   18.385  581.952   25.905  619.300   26.098  669.118   14.946  690.313   14.595 -21.19470 20.89036 
1 1 1    5    9   24 o  665.089   10.460  574.045   18.020  551.935   25.206  597.161   25.772  651.481   14.936  677.693   14.682 -26.21234 20.94378 
1 1 1    5    9   25 o  633.120   10.400  520.321   17.055  499.393   23.890  542.073   24.356  619.525   14.887  645.519   14.566 -25.99445 20.82816 
1 1 1    5    9   26 o  241.837   13.073   76.281   8.1589   68.555   11.632   83.765   11.447  228.134   19.882  252.767   17.594 -24.63309 26.54880 
1 1 1    5    9   27 o   84.668   26.532   9.4032   6.4719   16.597   9.2427   2.4830   9.0652  110.138   31.056   72.784   29.922 37.35416 43.12585 
1 1 1    5    9   28 o  307.294   17.535  124.010   13.899  117.200   21.766  128.700   18.062  295.257   28.827  311.696   22.522 -16.43942 36.58248 
1 1 1    5    9   29 o   59.723   24.220   2.0856   5.8400  -3.2534   9.0883   5.8407   7.6218   62.121   27.730   75.763   28.535 -13.64163 39.78945 
1 1 1    5    9   30 o  366.456   14.800  175.872   14.048  196.200   20.219  156.900   19.533  384.656   20.365  343.147   22.093 41.50864 30.04715 
1 1 1    5    9   31 o  105.721   24.473   15.555   6.5694   20.936   9.8704   11.276   8.8021  121.416   31.212   92.672   31.092 28.74398 44.05558 
1 1 1    5    9   32 o  253.869   13.058   84.641   8.5576  102.938   12.858   70.090   11.466  278.399   17.925  228.958   19.520 49.44119 26.50144 
1 1 1    5    9   33 o  174.840   16.034   40.680   7.1807   29.968   10.134   51.482   10.177  145.821   27.844  195.354   20.412 -49.53378 34.52462 
1 1 1    5    9   34 o  129.791   21.897   23.263   7.0999   29.936   10.267   17.147   9.8292  144.990   28.352  108.916   32.427 36.07343 43.07344 
1 1 1    5    9   35 o  179.055   16.557   42.991   7.5925   37.273   10.791   48.596   10.685  162.339   26.582  187.935   22.389 -25.59532 34.75470 
1 1 1    5    9   36 o  252.316   12.712   84.195   8.2819  104.513   12.127   66.436   11.337  279.062   16.856  220.629   20.057 58.43280 26.19944 
1 1 1    5    9   37 o  224.050   13.527   66.802   7.8138   78.486   10.893   54.419   11.214  240.758   17.589  197.623   22.297 43.13452 28.39972 
1 1 1    5    9   38 o   89.798   30.409   11.651   8.4202   1.0120   15.328   16.249   10.077   81.902   36.319  103.169   33.199 -21.26684 49.20611 
1 1 1    5    9   39 o  107.654   27.363   17.403   7.6465   17.140   12.965   17.543   9.4686  104.802   37.586  106.319   31.866 -1.517410 49.27567 
1 1 1    5    9   40 o  210.809   23.263   63.616   12.491   63.616   12.491   0.0000   0.0000  210.809   23.263  ?   ?  0.000000 23.26255 
1 1 1    5    9   41 o  207.598   15.668   58.831   8.3630   67.386   11.916   50.525   11.741  217.592   21.419  185.145   25.130 32.44608 33.01939 
1 1 1    5    9   42 o  163.629   19.864   38.167   8.2469   31.689   11.514   44.992   11.818  138.589   32.616  171.085   27.607 -32.49625 42.73101 
1 1 1    5    9   43 o  240.624   15.136   79.633   9.3859   75.231   13.661   83.569   12.917  224.512   23.856  240.264   20.965 -15.75162 31.75970 
1 1 1    5    9   44 o   54.661   25.067  -2.3884   8.0491   4.6190   11.513  -9.0879   11.257   73.331   32.032   56.436   27.023 16.89492 41.90801 
1 1 1    5    9   45 o   80.180   30.068   10.371   8.4452   23.422   12.163  -1.7805   11.736  109.472   36.549   64.401   29.797 45.07065 47.15626 
1 1 1    5    9   46 o   95.899   33.295   17.356   10.111   28.325   12.641  -2.1250   16.846  118.062   37.095   71.499   33.902 46.56208 50.25274 
1 1 1    5    9   47 o   71.069   30.931   6.2892   10.650  -3.8510   19.810   10.411   12.631   71.809   34.750   79.049   34.043 -7.239555 48.64651 
1 1 1    5   10    0 o  604.466   13.614  475.312   21.316  483.200   30.219  467.500   30.072  608.145   19.183  598.122   19.410 10.02332 27.29000 
1 1 1    5   10    1 o  655.366   13.904  558.901   23.603  560.000   33.366  557.800   33.395  654.468   19.682  653.164   19.738 1.304443 27.87404 
1 1 1    5   10    2 o  762.493   14.657  757.094   28.949  788.900   42.035  728.400   39.926  776.174   20.908  745.913   20.664 30.26111 29.39619 
1 1 1    5   10    3 o  325.071   13.442  137.521   11.318  129.400   15.883  145.900   16.133  313.877   19.634  333.557   18.748 -19.68005 27.14746 
1 1 1    5   10    4 o  687.273   14.153  615.250   25.195  611.000   35.427  619.600   35.840  682.956   20.026  687.709   20.120 -4.753113 28.38701 
1 1 1    5   10    5 o  258.196   11.747   86.699   7.8566   89.142   9.4580   81.260   14.111  261.209   14.030  247.700   22.230 13.50911 26.28726 
1 1 1    5   10    6 o  541.837   10.931  381.651   15.342  391.398   18.814  362.300   26.509  548.238   13.248  525.817   19.463 22.42035 23.54382 
1 1 1    5   10    7 o  379.177   13.138  187.203   12.904   0.0000   0.0000  187.203   12.904  ?   ?   379.177   13.138 0.000000 13.13761 
1 1 1    5   10    8 o  495.976   9.3752  319.407   12.045  321.797   17.223  317.120   16.851  497.176   13.373  493.585   13.180 3.590057 18.77633 
1 1 1    5   10    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   10   10 o  321.646   9.9166  134.270   8.2621  133.872   11.889  134.641   11.490  320.809   14.307  321.779   13.785 -0.9702454 19.86756 
1 1 1    5   10   11 o  479.400   9.7079  298.154   12.055  297.725   17.246  298.565   16.858  478.634   13.910  479.347   13.577 -0.7135620 19.43774 
1 1 1    5   10   12 o  362.528   9.6447  170.443   9.0569  169.600   19.113  170.687   10.285  360.208   20.570  362.719   10.947 -2.510468 23.30109 
1 1 1    5   10   13 o  565.323   11.408  414.564   16.705  474.200   30.653  389.369   19.923  603.700   19.602  547.655   14.045 56.04535 24.11385 
1 1 1    5   10   14 o  736.150   10.422  702.681   19.872  675.600   39.109  712.107   23.073  720.553   20.954  740.929   12.022 -20.37567 24.15753 
1 1 1    5   10   15 o  819.268   11.006  870.361   23.356  869.800   46.468  870.551   27.017  817.528   21.943  819.189   12.732 -1.660767 25.36952 
1 1 1    5   10   16 o  377.656   14.878  185.122   14.554  196.900   21.408  175.000   19.846  388.456   21.358  366.195   21.011 22.26132 29.95982 
1 1 1    5   10   17 o  981.218   12.213  1248.82   31.041  1297.00   63.958  1233.98   35.503  997.650   24.750  975.132   14.056 22.51813 28.46231 
1 1 1    5   10   18 f  456.827   11.836  270.690   14.006  257.700   25.685  276.187   16.709  444.322   22.389  461.306   13.983 -16.98416 26.39663 
1 1 1    5   10   19 o  350.712   14.392  159.686   13.074  193.400   19.301  131.100   17.773  385.102   19.411  316.543   21.809 68.55829 29.19619 
1 1 1    5   10   20 o  1061.74   12.435  1462.88   34.200  1419.26   47.211  1511.06   49.610  1044.79   17.445  1077.97   17.767 -33.18042 24.89945 
1 1 1    5   10   21 o  1138.00   12.963  1681.26   38.212  1654.05   53.564  1709.46   54.527  1127.42   18.342  1146.15   18.366 -18.72449 25.95655 
1 1 1    5   10   22 o  652.205   12.071  552.181   20.393  545.400   36.536  555.249   24.577  646.518   21.817  653.682   14.515 -7.164246 26.20402 
1 1 1    5   10   23 o  229.838   16.333   69.081   9.6603   89.600   19.320   62.240   11.155  259.502   29.252  217.548   20.020 41.95340 35.44682 
1 1 1    5   10   24 o  143.107   19.483   27.206   7.0345   31.028   10.253   23.807   9.6692  151.473   27.128  131.969   29.071 19.50406 39.76205 
1 1 1    5   10   25 o  103.500   25.166   14.630   6.6816   7.9763   9.3182   21.672   9.5858   86.337   31.733  125.617   29.893 -39.28018 43.59544 
1 1 1    5   10   26 o  610.143   10.349  483.547   16.356  469.754   23.021  497.605   23.242  600.472   14.801  618.085   14.517 -17.61310 20.73168 
1 1 1    5   10   27 o  375.350   12.592  183.405   12.243  172.170   15.144  204.600   20.800  363.085   16.102  394.300   20.435 -31.21567 26.01704 
1 1 1    5   10   28 o   47.216   22.265  -7.6978   7.0823   13.330   16.131 -12.7190   7.8827  110.236   41.513   45.179   21.877 65.05755 46.92517 
1 1 1    5   10   29 o  105.779   22.084   15.351   5.8557   13.083   8.4655   17.432   8.1084   98.155   30.278  111.817   28.044 -13.66199 41.27003 
1 1 1    5   10   30 o  138.614   21.814   26.111   7.5735   31.409   10.814   21.010   10.610  150.037   28.872  121.632   32.888 28.40516 43.76329 
1 1 1    5   10   31 o  109.430   22.777   16.573   6.2462   22.619   9.9066   12.584   8.0474  126.050   30.640   95.609   29.525 30.44135 42.55034 
1 1 1    5   10   32 o  192.880   14.625   49.190   7.2524   47.353   11.468   50.415   9.3625  185.896   24.405  193.985   18.872 -8.089249 30.85031 
1 1 1    5   10   33 o  190.397   14.365   47.995   7.0322   47.447   10.005   48.531   9.8867  187.021   21.015  189.378   20.481 -2.356995 29.34467 
1 1 1    5   10   34 o   76.107   26.679   7.3470   6.4995   7.9552   9.5783   6.8280   8.8483   83.909   31.896   79.658   30.567 4.250885 44.17821 
1 1 1    5   10   35 o  282.694   12.462  105.238   9.1253  123.421   13.215   88.666   12.616  303.643   16.868  255.989   19.166 47.65408 25.53132 
1 1 1    5   10   36 o  158.930   18.122   34.425   7.3272   31.119   10.213   37.932   10.519  146.215   27.984  163.063   25.758 -16.84773 38.03424 
1 1 1    5   10   37 o   68.052   29.158   1.6377   9.1800   12.520   14.109  -6.3520   12.089   97.782   38.300   65.387   30.249 32.39562 48.80497 
1 1 1    5   10   38 o   89.962   26.325   11.927   6.5251   5.7010   10.257   16.158   8.4568   77.953   31.913  103.082   29.914 -25.12823 43.74124 
1 1 1    5   10   39 f   68.288   27.727   4.2350   7.6637   2.1410   9.6686   7.7740   12.570   69.398   29.835   85.345   35.178 -15.94757 46.12575 
1 1 1    5   10   40 o  206.686   15.538   58.121   8.2578   75.707   12.634   45.002   10.911  231.337   21.323  175.489   24.686 55.84782 32.62006 
1 1 1    5   10   41 o  145.851   21.846   30.785   7.9993   36.089   11.834   26.322   10.855  150.282   31.411  126.492   32.840 23.78945 45.44339 
1 1 1    5   10   42 o   71.395   28.039   6.4018   7.5786  -6.9739   11.034   18.345   10.427   58.883   27.774  103.463   33.808 -44.57925 43.75397 
1 1 1    5   10   43 o  142.648   23.642   30.762   8.4299   19.876   11.586   43.008   12.288  104.372   35.668  162.082   30.386 -57.70950 46.85606 
1 1 1    5   10   44 o   87.438   29.361   12.778   7.8495   9.5709   10.484   16.869   11.840   80.056   32.457   95.493   35.643 -15.43711 48.20680 
1 1 1    5   10   45 o   59.557   25.775   2.2552   7.3126  -4.8876   9.6705   11.794   11.175   55.482   26.119   83.616   33.645 -28.13332 42.59335 
1 1 1    5   10   46 o  122.957   36.558   30.647   12.499   16.700   16.408   49.930   19.294   89.843   38.746  139.780   46.004 -49.93706 60.14681 
1 1 1    5   10   47 o   86.160   29.715   13.729   8.0473   23.110   12.024   6.1178   10.831  102.631   36.260   70.229   30.862 32.40125 47.61568 
1 1 1    5   11    0 o  287.017   9.6538  107.001   7.1772   94.366   10.081  119.989   10.221  268.664   14.540  303.583   12.998 -34.91901 19.50227 
1 1 1    5   11    1 o  798.125   10.523  827.862   21.754  823.195   30.681  832.581   30.850  794.497   14.908  799.014   14.906 -4.517334 21.08158 
1 1 1    5   11    2 o  332.989   9.4368  144.012   8.1396  142.497   11.539  145.514   11.483  330.751   13.469  334.263   13.263 -3.511993 18.90247 
1 1 1    5   11    3 o  674.932   9.9462  591.848   17.389  574.587   24.105  610.577   25.109  663.988   14.015  684.422   14.163 -20.43359 19.92504 
1 1 1    5   11    4 o  560.256   11.019  408.111   15.991  415.974   19.651  392.700   27.510  565.098   13.425  547.355   19.403 17.74316 23.59493 
1 1 1    5   11    5 o  366.545   10.987  174.672   10.432  187.114   12.875  150.900   17.797  379.070   13.113  338.537   20.390 40.53375 24.24250 
1 1 1    5   11    6 o  477.947   9.3733  296.633   11.604  296.423   16.336  296.846   16.488  477.161   13.217  477.479   13.331 -0.3183594 18.77206 
1 1 1    5   11    7 o  372.921   9.5510  180.566   9.2260  174.914   13.087  186.150   13.008  366.544   13.784  378.205   13.278 -11.66071 19.13923 
1 1 1    5   11    8 o  494.377   9.5211  317.229   12.193  308.022   17.162  326.612   17.325  486.604   13.616  501.115   13.347 -14.51108 19.06654 
1 1 1    5   11    9 o  285.421   10.590  105.750   7.8293  116.691   11.533   96.397   10.663  299.492   14.866  271.760   15.209 27.73257 21.26734 
1 1 1    5   11   10 o  176.786   14.172   40.874   6.4351   35.451   9.2956   45.864   8.9174  163.235   22.590  186.714   18.689 -23.47903 29.31846 
1 1 1    5   11   11 o  845.024   11.076  926.420   24.243  918.314   34.266  934.543   34.303  840.580   15.738  847.998   15.617 -7.417847 22.17104 
1 1 1    5   11   12 o  247.014   11.768   79.157   7.5293   72.403   10.424   86.525   10.887  235.394   17.215  257.534   16.406 -22.13986 23.78067 
1 1 1    5   11   13 o  833.541   10.930  901.034   23.600  904.000   47.843  900.081   27.131  833.221   22.167  832.924   12.575 0.2972412 25.48524 
1 1 1    5   11   14 o  421.490   12.223  230.442   13.345  250.200   23.640  221.200   16.168  438.547   20.810  412.783   15.121 25.76440 25.72396 
1 1 1    5   11   15 o  360.463   15.364  168.685   14.345  164.500   21.765  171.900   19.075  354.584   23.835  362.990   20.369 -8.406219 31.35315 
1 1 1    5   11   16 o  311.488   14.841  125.946   11.975  240.100   24.270   89.215   13.767  428.956   21.916  261.098   20.521 167.8580 30.02391 
1 1 1    5   11   17 o  431.063   10.887  240.967   12.156  217.200   24.617  248.631   13.979  407.651   23.411  437.786   12.327 -30.13513 26.45842 
1 1 1    5   11   18 o  346.026   13.233  155.391   11.861   0.0000   0.0000  155.391   11.861  ?   ?   346.026   13.233 0.000000 13.23346 
1 1 1    5   11   19 o  556.416   21.324  403.300   30.734  403.300   30.734   0.0000   0.0000  556.416   21.324  ?   ?  0.000000 21.32384 
1 1 1    5   11   20 o  936.438   11.675  1137.91   28.320  1162.36   40.954  1115.50   39.204  945.499   16.722  926.325   16.339 19.17334 23.37888 
1 1 1    5   11   21 o  638.826   10.332  529.424   17.097  515.005   24.206  543.779   24.153  629.513   14.844  646.924   14.413 -17.41010 20.69050 
1 1 1    5   11   22 o  202.503   14.721   53.589   7.6689   49.138   11.396   57.273   10.368  192.510   23.329  208.728   19.398 -16.21764 30.34021 
1 1 1    5   11   23 o  455.559   12.205  269.568   14.402  261.100   26.773  273.016   17.085  446.064   23.252  458.204   14.395 -12.13992 27.34695 
1 1 1    5   11   24 o  203.929   13.922   54.341   7.3101   53.691   11.382   54.798   9.5370  201.330   22.195  204.149   18.227 -2.819153 28.71954 
1 1 1    5   11   25 o  155.186   17.270   31.809   6.8246   29.198   9.1379   35.103   10.263  147.049   24.878  161.446   25.377 -14.39700 35.53741 
1 1 1    5   11   26 o  254.832   18.544   85.422   12.157   0.0000   0.0000   85.422   12.157  ?   ?   254.832   18.544 0.000000 18.54420 
1 1 1    5   11   27 o  287.872   14.793  108.469   10.993  121.600   21.595  103.877   12.772  300.915   28.028  281.069   17.632 19.84570 33.11308 
1 1 1    5   11   28 o  246.793   12.679   79.652   8.0778   98.063   12.730   67.243   10.451  272.603   18.132  225.541   18.040 47.06184 25.57769 
1 1 1    5   11   29 o  299.843   14.809  117.791   11.502  116.600   15.387  119.300   17.316  296.236   20.173  298.736   22.544 -2.499481 30.25179 
1 1 1    5   11   30 o   61.887   25.722   1.5758   6.7993   14.227   9.9251  -9.6122   9.3334  102.072   32.959   54.206   25.561 47.86554 41.70902 
1 1 1    5   11   31 o  211.937   20.617   60.392   11.175   60.392   11.175   0.0000   0.0000  211.937   20.617  ?   ?  0.000000 20.61749 
1 1 1    5   11   32 o  199.372   15.352   52.716   7.8673   69.406   11.527   38.160   10.765  227.284   19.776  165.708   25.929 61.57628 32.60947 
1 1 1    5   11   33 o  197.293   15.020   51.696   7.6184   55.752   10.910   47.836   10.643  202.567   21.102  186.921   22.430 15.64552 30.79585 
1 1 1    5   11   34 o  119.170   22.521   19.881   6.6971   24.454   9.8507   15.951   9.1323  129.376   29.981  104.650   31.279 24.72606 43.32661 
1 1 1    5   11   35 o  217.709   12.850   62.778   7.2142   62.051   10.485   63.433   9.9413  213.593   19.155  216.633   17.876 -3.040558 26.20043 
1 1 1    5   11   36 o  179.601   16.598   43.637   7.6343   39.220   11.006   47.733   10.598  164.844   26.688  184.679   22.629 -19.83522 34.99012 
1 1 1    5   11   37 o  167.989   21.798   39.636   9.2617   39.780   17.410   39.579   10.938  152.654   42.476  164.956   26.495 -12.30220 50.06180 
1 1 1    5   11   38 o  218.468   20.633   66.574   11.538   0.0000   0.0000   66.574   11.538  ?   ?   218.468   20.633 0.000000 20.63320 
1 1 1    5   11   39 o   80.253   29.727   8.7391   8.2047   0.6505   10.785   19.850   12.641   69.545   30.670  109.577   37.257 -40.03199 48.25740 
1 1 1    5   11   40 o  125.833   28.530   24.533   9.0850   0.0000   0.0000   24.533   9.0850  ?   ?   125.833   28.530 0.000000 28.53040 
1 1 1    5   11   41 o  127.052   23.382   23.982   7.4114   25.240   10.587   22.773   10.379  123.110   32.661  116.559   32.925 6.551018 46.37659 
1 1 1    5   11   42 o   93.583   28.672   14.204   7.6064   15.310   10.082   12.743   11.588   94.922   33.231   89.057   34.758 5.864777 48.08787 
1 1 1    5   11   43 o   73.435   28.755   7.5302   7.9510   10.155   11.279   4.9379   11.210   82.329   33.557   73.232   31.803 9.096924 46.23296 
1 1 1    5   11   44 o  172.282   20.384   43.797   8.9203   46.277   13.311   41.775   12.018  162.776   32.704  156.996   30.653 5.780258 44.82407 
1 1 1    5   11   45 o  112.663   30.644   22.546   9.1797   35.096   12.858   9.4992   13.110  134.326   36.155   79.883   34.541 54.44318 50.00282 
1 1 1    5   11   46 o   51.962   24.786  -6.1667   9.2808  -3.6890   19.391  -6.9028   10.570   71.545   34.564   54.608   26.158 16.93685 43.34611 
1 1 1    5   11   47 o   70.643   29.796   7.7095   9.3302   18.840   14.191  -0.7644   12.382   89.260   37.134   63.003   29.626 26.25716 47.50462 
1 1 1    5   12    0 o  644.341   9.9111  539.423   16.542  510.931   22.706  571.653   24.149  626.107   14.000  662.244   14.078 -36.13708 19.85409 
1 1 1    5   12    1 o  355.190   9.4835  163.867   8.7253  165.509   12.313  162.211   12.366  356.464   13.335  352.865   13.530 3.598846 18.99647 
1 1 1    5   12    2 o  232.796   12.908   70.770   7.7534   67.835   9.3412   77.270   13.902  227.405   15.959  241.350   22.496 -13.94489 27.58212 
1 1 1    5   12    3 f  286.185   11.721  106.519   8.6887  114.042   10.633   91.400   15.074  295.871   13.874  262.752   22.360 33.11911 26.31449 
1 1 1    5   12    4 o  282.339   11.974  103.674   8.7571  107.430   10.658   95.870   15.363  287.150   14.329  269.263   22.226 17.88651 26.44442 
1 1 1    5   12    5 o  254.793   10.558   84.331   6.9685   87.230   9.9761   81.568   9.7381  258.323   14.973  249.746   15.124 8.576645 21.28239 
1 1 1    5   12    6 o  293.957   10.160  112.193   7.7363  103.126   10.860  121.535   11.023  281.028   14.972  305.620   13.925 -24.59128 20.44677 
1 1 1    5   12    7 o  748.944   14.934  729.903   28.972  729.903   28.972   0.0000   0.0000  748.944   14.934  ?   ?  0.000000 14.93396 
1 1 1    5   12    8 o  414.021   9.8480  222.404   10.561  218.464   15.060  226.216   14.815  409.943   14.183  417.205   13.709 -7.261169 19.72512 
1 1 1    5   12    9 o  487.576   14.063  308.852   17.761  308.852   17.761   0.0000   0.0000  487.576   14.063  ?   ?  0.000000 14.06270 
1 1 1    5   12   10 o  415.214   10.054  223.591   10.813  214.997   15.376  232.000   15.210  406.850   14.591  422.688   13.892 -15.83820 20.14612 
1 1 1    5   12   11 o  395.811   10.563  203.177   10.830  210.793   15.933  196.637   14.765  402.868   15.268  389.149   14.647 13.71930 21.15800 
1 1 1    5   12   12 o  752.921   10.844  735.162   21.148  737.861   30.259  732.585   29.568  753.792   15.497  751.131   15.197 2.661621 21.70531 
1 1 1    5   12   13 o  400.291   14.578  207.991   15.116  201.400   22.631  213.300   20.310  392.678   22.342  405.021   19.359 -12.34247 29.56236 
1 1 1    5   12   14 o  663.275   12.066  570.642   20.730  562.000   37.414  574.470   24.902  657.084   21.982  665.278   14.451 -8.193542 26.30621 
1 1 1    5   12   15 o  436.217   13.976  246.954   15.792  297.300   28.905  225.532   18.855  477.743   23.357  416.627   17.471 61.11609 29.16875 
1 1 1    5   12   16 o  756.714   11.061  742.625   21.680  736.000   43.801  744.775   24.951  751.744   22.494  757.645   12.714 -5.900940 25.83848 
1 1 1    5   12   17 o  427.889   12.049  237.537   13.355  257.400   26.943  231.067   15.377  443.736   23.525  421.889   14.071 21.84665 27.41179 
1 1 1    5   12   18 o  994.065   17.384  1284.82   44.763   0.0000   0.0000  1284.82   44.763  ?   ?   994.065   17.384 0.000000 17.38427 
1 1 1    5   12   19 o  246.726   16.374   79.483   10.405  138.500   19.826   57.048   12.224  324.879   23.723  207.843   23.096 117.0359 33.10910 
1 1 1    5   12   20 o  755.250   11.018  740.152   21.555  682.100   41.949  760.979   25.126  722.898   22.402  765.571   12.671 -42.67224 25.73733 
1 1 1    5   12   21 o  335.989   12.046  146.573   10.483  137.900   22.266  149.043   11.883  323.232   26.837  338.696   13.544 -15.46399 30.06096 
1 1 1    5   12   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   12   23 o   61.410   26.604  -0.9807   7.8063   27.620   15.650 -10.4534   9.0067  141.689   40.572   52.648   24.913 89.04114 47.61028 
1 1 1    5   12   24 o  286.161   13.675  106.553   10.136  101.100   20.138  108.404   11.731  275.182   28.672  287.989   15.786 -12.80606 32.73058 
1 1 1    5   12   25 o  393.016   10.666  200.716   10.858  201.338   15.495  200.115   15.221  392.950   15.223  391.794   14.998 1.155823 21.36996 
1 1 1    5   12   26 o  139.225   33.606   27.081   11.981   38.500   19.177   19.770   15.345  164.052   44.154  122.531   41.052 41.52049 60.28971 
1 1 1    5   12   27 o  278.043   12.234  100.756   8.8108   90.916   13.159  108.754   11.863  262.165   19.517  287.804   15.975 -25.63934 25.22126 
1 1 1    5   12   28 o   74.854   27.155   6.3658   6.7916   12.474   9.7427   0.5920   9.4724   97.641   32.711   69.807   29.757 27.83375 44.22103 
1 1 1    5   12   29 o  353.180   14.953  163.680   13.680  190.700   19.248  136.100   19.446  378.945   19.676  318.114   23.771 60.83142 30.85846 
1 1 1    5   12   30 o  159.844   18.355   34.250   7.4620   23.847   10.655   44.264   10.454  128.909   32.046  180.444   22.880 -51.53525 39.37582 
1 1 1    5   12   31 o  247.421   13.282   80.557   8.4813   90.530   12.319   71.570   11.694  260.503   18.374  230.949   19.738 29.55386 26.96627 
1 1 1    5   12   32 o  284.487   12.274  106.160   9.0452  121.369   12.914   91.511   12.673  302.206   16.560  261.287   18.851 40.91809 25.09194 
1 1 1    5   12   33 o  247.535   13.494   80.982   8.6193   74.951   12.146   87.099   12.233  235.240   20.127  254.448   18.692 -19.20805 27.46767 
1 1 1    5   12   34 o  106.446   24.431   16.201   6.5937   22.066   8.9999   9.4049   9.6880  122.810   28.792   86.803   32.272 36.00753 43.24902 
1 1 1    5   12   35 o   51.085   23.053  -2.5127   6.4726  -4.0787   9.1578  -0.9496   9.1496   59.135   26.975   63.838   28.196 -4.702847 39.02144 
1 1 1    5   12   36 o  101.342   33.244   15.533   10.078  -4.3170   16.203   28.060   12.871   77.875   35.659  132.519   36.387 -54.64337 50.94640 
1 1 1    5   12   37 o  140.699   20.405   27.782   7.2196   25.131   10.344   30.300   10.081  127.327   31.530  142.321   28.341 -14.99373 42.39524 
1 1 1    5   12   38 o  118.127   25.124   20.636   7.4511   29.350   14.078   17.245   8.7819  131.370   38.733  105.300   30.462 26.06929 49.27702 
1 1 1    5   12   39 o   68.153   26.887   5.0924   6.9983   12.068   10.010  -1.5770   9.7880   89.927   32.914   63.130   28.432 26.79743 43.49401 
1 1 1    5   12   40 o  126.804   21.527   23.347   6.8181   16.802   8.7635   33.382   10.852  102.083   30.670  145.604   29.778 -43.52114 42.74799 
1 1 1    5   12   41 o   62.263   26.659   2.2871   7.6637  -2.6415   10.810   7.2679   10.867   63.098   28.978   78.313   32.530 -15.21551 43.56544 
1 1 1    5   12   42 f   89.508   29.947   13.262   8.1656   12.464   11.768   14.004   11.340   87.616   34.770   90.680   34.649 -3.064041 49.08707 
1 1 1    5   12   43 o   45.847   22.066  -8.3353   7.7275 -11.1257   10.929  -5.5459   10.927   53.321   25.805   58.548   27.623 -5.226566 37.80138 
1 1 1    5   12   44 o  108.833   28.718   20.213   8.2135   21.175   10.827   18.910   12.606  105.078   34.456   97.151   36.673 7.927368 50.32048 
1 1 1    5   12   45 o   74.038   30.571   8.2335   9.5148   13.785   11.980  -1.2530   15.660   85.511   34.685   69.646   32.923 15.86532 47.82233 
1 1 1    5   12   46 f   77.807   29.968   10.783   8.5263   8.5802   12.139   12.927   11.978   74.953   32.811   81.840   34.088 -6.887016 47.31348 
1 1 1    5   13    0 o  155.089   16.334   31.712   6.4631   39.788   8.0229   16.780   10.909  173.602   18.108  111.844   34.349 61.75790 38.82942 
1 1 1    5   13    1 o  261.000   13.049   88.620   8.8220   95.121   10.498   72.990   16.276  269.790   15.082  233.608   27.419 36.18279 31.29370 
1 1 1    5   13    2 o  708.082   11.897  651.670   21.821  652.932   26.644  649.100   38.029  708.152   14.525  704.106   20.851 4.046204 25.41151 
1 1 1    5   13    3 o  152.132   17.968   30.613   6.9438   29.446   8.3909   33.150   12.369  148.272   22.559  155.462   31.787 -7.190872 38.97838 
1 1 1    5   13    4 o  491.040   9.6731  312.932   12.304  314.493   17.591  311.438   17.215  491.737   13.811  489.377   13.580 2.360535 19.36904 
1 1 1    5   13    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   13    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   13    7 o  593.934   10.019  457.611   15.415  462.024   22.202  453.505   21.418  596.284   14.375  590.812   13.995 5.472046 20.06231 
1 1 1    5   13    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   13    9 o  686.138   10.476  610.594   18.620  625.039   26.668  596.854   26.008  693.718   14.841  677.901   14.811 15.81763 20.96731 
1 1 1    5   13   10 o  644.618   10.381  538.860   17.334  531.769   24.808  545.623   24.229  639.926   14.966  648.268   14.429 -8.342346 20.78912 
1 1 1    5   13   11 o  646.498   14.551  542.602   24.368  538.600   34.920  546.400   34.020  643.295   20.956  648.039   20.267 -4.743835 29.15296 
1 1 1    5   13   12 o  456.304   12.392  270.115   14.647  280.568   18.807  254.000   23.351  464.823   15.620  441.858   20.402 22.96478 25.69452 
1 1 1    5   13   13 o  178.882   18.977   42.066   8.6590   44.775   12.908   39.849   11.676  183.095   28.114  172.723   26.980 10.37183 38.96543 
1 1 1    5   13   14 o  444.921   12.996  256.852   14.978  338.200   30.909  231.889   17.122  509.487   23.421  422.573   15.642 86.91336 28.16399 
1 1 1    5   13   15 o  708.554   10.896  651.111   19.999  680.500   42.082  642.537   22.730  722.776   22.477  703.726   12.469 19.04999 25.70447 
1 1 1    5   13   16 o  684.891   15.289  609.263   27.123   0.0000   0.0000  609.263   27.123  ?   ?   684.891   15.289 0.000000 15.28881 
1 1 1    5   13   17 o  808.280   16.145  849.066   33.803   0.0000   0.0000  849.066   33.803  ?   ?   808.280   16.145 0.000000 16.14539 
1 1 1    5   13   18 o  224.422   14.317   65.687   8.2796   68.170   19.242   65.123   9.1722  225.147   34.057  223.262   15.966 1.885239 37.61359 
1 1 1    5   13   19 o  180.091   17.945   42.631   8.2597   41.150   18.112   43.020   9.2809  172.613   41.099  180.571   20.188 -7.957840 45.78945 
1 1 1    5   13   20 o  274.412   13.132   97.820   9.3341   91.800   20.869   99.326   10.436  262.231   31.345  276.030   14.648 -13.79932 34.59888 
1 1 1    5   13   21 o  214.611   16.496   60.315   9.1001   93.580   19.441   50.981   10.298  265.202   28.761  196.557   20.529 68.64508 35.33573 
1 1 1    5   13   22 o  189.843   18.085   47.426   8.7860   52.450   18.897   46.041   9.9238  194.907   38.795  186.528   20.898 8.379059 44.06548 
1 1 1    5   13   23 o  309.055   28.125  127.100   22.269  127.100   22.269   0.0000   0.0000  309.055   28.125  ?   ?  0.000000 28.12488 
1 1 1    5   13   24 o  245.194   15.889   78.749   10.037   90.540   21.004   75.260   11.426  258.839   32.009  239.175   18.589 19.66382 37.01581 
1 1 1    5   13   25 o  413.736   16.211  223.667   17.373  203.900   26.533  238.500   22.985  391.405   26.324  426.017   20.829 -34.61215 33.56744 
1 1 1    5   13   26 o   47.597   21.500  -2.9023   5.6451  -6.3745   8.8488  -0.5194   7.3305   56.673   26.098   59.946   25.875 -3.272896 36.75053 
1 1 1    5   13   27 o  150.455   19.099   30.285   7.2757   31.354   10.355   29.243   10.225  150.725   27.537  145.247   28.194 5.477768 39.41055 
1 1 1    5   13   28 o  294.764   16.167  114.537   12.297  133.200   17.551   96.540   17.235  315.843   21.582  267.161   25.203 48.68182 33.18071 
1 1 1    5   13   29 o  158.095   18.841   33.557   7.5637   49.728   11.224   20.103   10.238  191.384   23.108  118.540   32.411 72.84409 39.80495 
1 1 1    5   13   30 o  271.250   12.364   96.365   8.6871  123.241   12.863   73.825   11.780  305.081   16.336  234.727   19.552 70.35378 25.47809 
1 1 1    5   13   31 o  210.650   14.404   58.712   7.8126   62.180   11.608   55.840   10.563  214.249   21.195  203.294   20.332 10.95515 29.36994 
1 1 1    5   13   32 o  194.008   14.383   49.946   7.1766   59.455   10.894   42.655   9.5390  209.376   20.344  176.677   21.271 32.69870 29.43333 
1 1 1    5   13   33 o  136.748   18.967   25.565   6.5375   18.807   10.056   30.513   8.6040  112.537   32.609  147.814   23.239 -35.27666 40.04192 
1 1 1    5   13   34 o  130.424   20.849   23.684   6.8064   22.995   9.6618   24.363   9.5900  124.191   30.302  128.301   29.476 -4.110001 42.27352 
1 1 1    5   13   35 o  226.582   17.098   69.549   9.9614   68.650   12.100   71.440   17.549  222.491   21.253  218.471   31.956 4.019958 38.37807 
1 1 1    5   13   36 o   65.992   27.303   3.1317   7.6114   9.8650   13.773   0.1712   9.1326   91.534   37.169   64.886   28.431 26.64805 46.79554 
1 1 1    5   13   37 o  193.863   16.070   51.122   7.9969   56.479   11.829   46.613   10.852  198.725   23.430  180.052   23.857 18.67282 33.43828 
1 1 1    5   13   38 o  136.043   28.568   28.318   9.7467   21.960   12.866   36.880   14.931  113.899   37.572  146.549   38.743 -32.64985 53.96912 
1 1 1    5   13   39 o  134.352   23.455   26.550   7.8656   26.391   11.138   26.709   11.109  126.333   33.493  127.269   33.310 -0.9356766 47.23746 
1 1 1    5   13   40 o  134.513   23.973   27.072   8.0465   24.300   11.539   29.696   11.227  118.121   35.126  133.464   32.725 -15.34267 48.00788 
1 1 1    5   13   41 o   69.943   26.976   6.5034   6.9163   0.1153   10.909   10.796   8.9432   66.329   29.931   83.114   30.986 -16.78513 43.08147 
1 1 1    5   13   42 o  135.685   25.218   28.771   8.5371   38.423   12.143   19.337   12.005  149.355   32.325  101.017   36.174 48.33829 48.51202 
1 1 1    5   13   43 o   95.373   30.617   16.056   8.5743   17.919   11.896   14.042   12.370   96.154   35.759   88.106   35.418 8.048775 50.32969 
1 1 1    5   13   44 o   82.413   29.728   11.780   8.1227   14.596   11.261   8.7249   11.728   87.868   34.272   77.174   33.009 10.69467 47.58336 
1 1 1    5   13   45 o   51.187   24.692  -8.2788   9.8073 -14.8300   18.831  -5.8403   11.488   64.049   31.592   57.527   27.479 6.521793 41.87003 
1 1 1    5   13   46 o   43.305   21.107  -9.1438   7.6672  -6.2715   9.8836 -13.4846   12.150   52.413   25.156   51.984   25.589 0.4289551 35.88358 
1 1 1    5   14    0 o  231.957   17.237   70.470   10.283   70.470   10.283   0.0000   0.0000  231.957   17.237  ?   ?  0.000000 17.23689 
1 1 1    5   14    1 o  501.241   13.867  326.598   18.004  326.598   18.004   0.0000   0.0000  501.241   13.867  ?   ?  0.000000 13.86672 
1 1 1    5   14    2 o  343.536   10.239  153.147   9.1117  135.210   12.461  173.756   13.357  322.441   14.920  365.603   14.104 -43.16208 20.53126 
1 1 1    5   14    3 o  302.297   10.791  118.597   8.4497  118.365   12.056  118.821   11.846  301.282   15.501  301.903   15.196 -0.6205444 21.70738 
1 1 1    5   14    4 f  498.403   9.9034  322.239   12.785  319.898   18.240  324.500   17.927  496.171   14.192  499.765   13.848 -3.594818 19.82863 
1 1 1    5   14    5 o  341.013   10.567  150.869   9.3341  154.905   13.548  147.223   12.878  345.234   15.150  336.595   14.771 8.639771 21.15872 
1 1 1    5   14    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   14    7 o  627.910   10.330  511.348   16.802  525.571   24.363  498.449   23.201  636.122   14.786  619.529   14.458 16.59290 20.67954 
1 1 1    5   14    8 f  1118.35   25.793  1633.00   74.718  1633.00   74.718   0.0000   0.0000  1118.35   25.793  ?   ?  0.000000 25.79269 
1 1 1    5   14    9 o  693.757   14.902  624.964   26.779  628.600   38.059  621.400   37.686  694.865   21.145  690.889   21.058 3.976318 29.84198 
1 1 1    5   14   10 o  530.635   20.475  366.400   28.143   0.0000   0.0000  366.400   28.143  ?   ?   530.635   20.475 0.000000 20.47531 
1 1 1    5   14   11 o  486.310   10.870  306.701   13.693  295.748   19.672  316.994   19.071  477.191   15.915  494.119   14.900 -16.92822 21.80161 
1 1 1    5   14   12 o  588.636   11.316  449.397   17.255  439.551   24.702  458.777   24.112  581.699   16.394  594.361   15.661 -12.66260 22.67266 
1 1 1    5   14   13 o  267.334   16.041   93.163   11.056   93.840   16.697   92.634   14.755  267.182   24.395  265.868   21.612 1.313904 32.59103 
1 1 1    5   14   14 o  475.370   11.419  293.131   14.061  282.684   20.168  303.012   19.614  466.408   16.694  482.982   15.678 -16.57321 22.90150 
1 1 1    5   14   15 o  514.879   14.308  344.245   19.082   0.0000   0.0000  344.245   19.082  ?   ?   514.879   14.308 0.000000 14.30763 
1 1 1    5   14   16 o  506.413   15.065  333.186   19.761   0.0000   0.0000  333.186   19.761  ?   ?   506.413   15.065 0.000000 15.06481 
1 1 1    5   14   17 o  474.953   10.959  292.685   13.482  294.700   28.331  292.095   15.330  475.135   23.020  474.348   12.476 0.7867737 26.18311 
1 1 1    5   14   18 o  322.703   12.352  135.208   10.325  112.300   21.877  141.773   11.712  290.999   29.428  330.351   13.686 -39.35220 32.45510 
1 1 1    5   14   19 f  487.928   11.071  309.017   13.992  331.400   29.714  302.639   15.860  503.514   22.782  482.702   12.685 20.81213 26.07545 
1 1 1    5   14   20 o  253.171   16.707   83.830   10.895   47.810   19.161  101.038   13.244  185.661   40.943  277.762   18.514 -92.10110 44.93456 
1 1 1    5   14   21 o  413.143   11.637  221.726   12.453  177.700   25.408  235.646   14.287  366.545   26.950  425.763   12.955 -59.21783 29.90177 
1 1 1    5   14   22 o  228.208   16.128   68.219   9.4721   88.240   20.391   62.710   10.696  256.128   31.392  218.240   19.113 37.88820 36.75336 
1 1 1    5   14   23 o  269.764   14.097   95.041   9.8167   88.690   20.654   96.895   11.157  256.218   31.805  272.083   15.900 -15.86481 35.55780 
1 1 1    5   14   24 o  337.762   17.730  149.705   15.458  174.600   23.978  132.000   20.221  362.330   25.715  315.050   24.983 47.28000 35.85259 
1 1 1    5   14   25 o  197.647   17.365   51.578   8.7999   66.270   22.325   48.876   9.5752  215.966   41.415  191.866   19.539 24.10025 45.79237 
1 1 1    5   14   26 o   56.282   25.586  -4.5316   8.1499 -21.6800   16.781   0.7621   9.3234   68.623   32.894   69.695   29.611 -1.071106 44.25873 
1 1 1    5   14   27 o  226.522   15.259   67.615   8.9013   76.830   14.182   61.624   11.434  238.965   23.203  214.605   20.831 24.36029 31.18239 
1 1 1    5   14   28 o  179.145   19.103   42.991   8.7277   37.359   11.655   50.180   13.168  163.555   28.550  190.575   27.469 -27.01918 39.61871 
1 1 1    5   14   29 o  143.134   19.874   27.768   7.1696   31.052   11.109   25.423   9.3862  147.770   30.045  134.154   27.919 13.61688 41.01459 
1 1 1    5   14   30 o  175.762   22.264   42.192   9.9092   42.192   9.9092   0.0000   0.0000  175.762   22.264  ?   ?  0.000000 22.26443 
1 1 1    5   14   31 o  224.500   14.365   66.762   8.3097   71.913   12.098   62.162   11.433  230.456   20.480  213.955   20.897 16.50044 29.25943 
1 1 1    5   14   32 o  335.159   11.768  147.581   10.217  144.820   14.822  150.080   14.102  328.798   17.465  335.854   16.210 -7.055725 23.82841 
1 1 1    5   14   33 o  162.332   16.520   35.564   6.8496   28.340   9.1021   44.996   10.401  140.633   25.942  179.715   22.860 -39.08221 34.57734 
1 1 1    5   14   34 o   66.301   25.871   4.4589   6.4189   7.3937   9.5076   2.0008   8.7013   80.731   31.491   67.412   28.622 13.31916 42.55457 
1 1 1    5   14   35 o  169.057   28.183   42.205   11.907   55.690   19.403   34.060   15.080  181.865   42.032  143.130   39.421 38.73531 57.62528 
1 1 1    5   14   36 o   55.092   24.267  -0.5626   6.7322   2.2897   9.5343  -3.3987   9.5072   69.326   29.710   60.301   27.498 9.025093 40.48251 
1 1 1    5   14   37 o  109.029   27.434   18.131   7.7414   19.460   11.631   17.074   10.372  108.828   35.715  103.263   33.719 5.564934 49.11714 
1 1 1    5   14   38 o   39.764   19.645 -14.5702   7.3820 -12.0246   9.6124 -18.2300   11.526   50.284   24.303   51.477   25.256 -1.192841 35.05016 
1 1 1    5   14   39 o   79.012   27.147   9.3004   6.7136   1.0898   10.822   14.437   8.5598   68.733   30.496   94.691   30.612 -25.95800 43.20974 
1 1 1    5   14   40 o  140.485   21.299   28.928   7.5077   32.534   10.536   25.209   10.700  141.864   29.629  120.989   33.158 20.87498 44.46755 
1 1 1    5   14   41 o  156.233   22.156   36.460   8.7152   35.023   12.341   37.889   12.309  140.442   34.235  147.966   32.961 -7.524063 47.52299 
1 1 1    5   14   42 o  108.858   28.928   20.113   8.2963   23.571   11.272   16.024   12.255  111.216   35.042   92.334   35.825 18.88235 50.11380 
1 1 1    5   14   43 o   64.858   27.233   4.6375   7.7372   18.126   11.241  -7.5072   10.666   96.006   34.919   54.987   26.323 41.01907 43.72874 
1 1 1    5   14   44 o   72.717   30.854   7.5266   10.100   3.7914   12.222   15.570   17.936   69.631   31.527   87.044   38.899 -17.41360 50.07055 
1 1 1    5   14   45 o   67.596   28.650   6.2693   8.6935   5.2184   12.372   7.2943   12.219   70.046   31.717   72.618   32.303 -2.572235 45.27076 
1 1 1    5   14   46 o  108.957   32.802   24.713   10.017   35.450   17.221   19.222   12.314  107.100   42.200   89.471   35.548 17.62866 55.17747 
1 1 1    5   15    0 o  351.115   15.538  160.234   14.132  205.500   20.137  116.300   19.838  397.218   19.571  297.081   26.042 100.1366 32.57651 
1 1 1    5   15    1 o  608.396   14.395  480.836   22.686  443.700   30.976  523.800   33.318  583.534   20.493  634.060   20.286 -50.52631 28.83539 
1 1 1    5   15    2 o  691.699   14.588  621.538   26.138  615.400   36.928  627.700   37.001  687.216   20.745  694.083   20.581 -6.867065 29.22156 
1 1 1    5   15    3 o  730.786   14.912  693.787   28.228  712.300   40.621  676.500   39.253  739.321   21.211  720.540   21.031 18.78119 29.87046 
1 1 1    5   15    4 o  503.267   14.173  328.903   18.476  323.100   26.136  334.700   26.122  498.121   20.256  507.033   19.889 -8.912048 28.38780 
1 1 1    5   15    5 o  240.544   17.522   75.626   10.842   96.320   16.403   59.570   14.449  270.741   23.626  211.834   26.941 58.90657 35.83355 
1 1 1    5   15    6 o  288.215   16.262  108.275   12.091  131.900   17.922   88.540   16.380  317.446   21.929  259.347   24.680 58.09888 33.01528 
1 1 1    5   15    7 o  601.501   20.337  470.900   31.686   0.0000   0.0000  470.900   31.686  ?   ?   601.501   20.337 0.000000 20.33659 
1 1 1    5   15    8 o  1053.36   12.636  1439.73   34.476  1452.59   49.245  1427.38   48.283  1057.05   17.985  1047.88   17.788 9.169678 25.29605 
1 1 1    5   15    9 o  1107.45   13.077  1591.57   37.514  1600.26   53.384  1583.08   52.727  1109.37   18.577  1103.43   18.448 5.940063 26.18075 
1 1 1    5   15   10 o  1010.34   12.618  1324.50   33.022  1316.51   46.644  1332.53   46.756  1006.36   17.893  1012.48   17.828 -6.119751 25.25851 
1 1 1    5   15   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   15   12 o  547.971   11.390  389.507   16.167  360.993   22.714  418.786   23.017  527.066   16.637  567.800   15.650 -40.73389 22.84109 
1 1 1    5   15   13 o  423.145   11.928  232.320   13.074  218.473   18.891  245.050   18.113  409.887   17.793  434.260   16.103 -24.37314 23.99740 
1 1 1    5   15   14 o  472.687   17.267  290.551   21.142  307.800   30.551  274.700   29.287  484.945   24.399  457.983   24.779 26.96194 34.77532 
1 1 1    5   15   15 o  624.713   16.096  507.359   26.046  462.100   34.748  565.400   39.350  595.125   22.541  658.175   23.081 -63.04932 32.26160 
1 1 1    5   15   16 o  641.173   10.752  533.406   17.858  488.800   35.851  548.125   20.594  611.883   22.620  649.785   12.235 -37.90210 25.71688 
1 1 1    5   15   17 o  513.888   10.900  342.716   14.509  351.000   30.592  340.313   16.480  518.302   22.787  511.928   12.428 6.374390 25.95537 
1 1 1    5   15   18 o  305.113   12.821  120.939   10.133  132.900   23.902  118.318   11.188  316.480   29.496  301.676   14.317 14.80475 32.78753 
1 1 1    5   15   19 o  309.759   12.990  124.700   10.423  127.500   23.338  124.003   11.649  309.695   29.447  308.754   14.565 0.9411316 32.85218 
1 1 1    5   15   20 o  392.662   11.798  200.322   12.000  197.400   25.683  201.138   13.573  386.674   25.789  393.291   13.324 -6.616455 29.02780 
1 1 1    5   15   21 o  233.489   15.014   71.302   9.0326   73.200   19.527   70.785   10.188  232.289   33.414  232.311   17.050 -0.2241516E-01 37.51280 
1 1 1    5   15   22 o  315.469   13.372  129.564   10.927  130.900   23.945  129.212   12.280  312.554   29.942  314.823   15.059 -2.269257 33.51553 
1 1 1    5   15   23 o   99.160   35.633   11.514   11.658   13.020   19.840   10.720   14.408  116.614   45.490  102.705   39.101 13.90836 59.98505 
1 1 1    5   15   24 o  317.689   12.807  131.564   10.539  142.700   23.945  128.889   11.738  325.530   28.690  314.170   14.423 11.36008 32.11151 
1 1 1    5   15   25 o  105.136   29.401   15.343   8.3194   14.930   19.781   15.432   9.1698  117.912   45.581  105.721   31.285 12.19077 55.28463 
1 1 1    5   15   26 o  148.872   23.391   30.220   8.7227   11.540   20.916   34.152   9.5971  113.568   45.913  158.198   24.189 -44.63013 51.89482 
1 1 1    5   15   27 o  185.206   30.458   48.070   14.104   0.0000   0.0000   48.070   14.104  ?   ?   185.206   30.458 0.000000 30.45850 
1 1 1    5   15   28 o  181.852   15.281   43.850   7.1314   44.382   10.208   43.343   9.9666  180.663   22.287  178.610   22.008 2.053146 31.32159 
1 1 1    5   15   29 f   80.005   27.288   8.3077   6.7814   6.5642   10.203   9.6872   9.0760   82.657   32.511   87.813   31.452 -5.156731 45.23465 
1 1 1    5   15   30 o  355.201   11.452  165.349   10.536  174.548   15.476  157.401   14.385  362.676   16.474  344.580   16.116 18.09595 23.04612 
1 1 1    5   15   31 o  197.234   21.273   53.231   10.696   0.0000   0.0000   53.231   10.696  ?   ?   197.234   21.273 0.000000 21.27279 
1 1 1    5   15   32 o  357.453   11.463  168.021   10.613  175.388   15.575  161.635   14.502  362.217   16.600  348.057   16.085 14.15991 23.11467 
1 1 1    5   15   33 o  190.277   15.103   48.593   7.3827   58.497   11.410   41.460   9.6827  205.176   21.803  172.193   22.227 32.98303 31.13588 
1 1 1    5   15   34 o   89.129   34.998   9.8818   11.806   29.170   19.676  -0.9702   14.758  128.725   46.287   78.038   35.050 50.68751 58.06028 
1 1 1    5   15   35 f   62.432   25.033   3.5433   6.1628   7.0398   10.215   1.5425   7.7275   80.024   32.179   62.728   26.811 17.29585 41.88504 
1 1 1    5   15   36 o  117.082   22.359   19.860   6.5336   30.666   10.261   12.491   8.4734  141.657   28.942   90.792   30.506 50.86518 42.05010 
1 1 1    5   15   37 o  130.417   29.408   26.548   9.6975   15.220   13.731   37.820   13.698   98.310   37.984  150.598   35.664 -52.28819 52.10264 
1 1 1    5   15   38 o  132.363   22.996   25.823   7.5982   32.648   11.060   19.723   10.456  142.725   30.818  108.237   33.694 34.48802 45.66194 
1 1 1    5   15   39 o  110.556   27.477   19.406   7.8344   20.353   11.104   18.468   11.055  107.483   34.878  102.722   34.842 4.760323 49.29978 
1 1 1    5   15   40 o  113.866   28.496   21.262   8.3846   28.434   11.964   14.340   11.754  124.815   35.382   91.099   35.159 33.71669 49.87986 
1 1 1    5   15   41 o   51.295   23.741  -3.0447   7.4593   1.9536   10.222  -8.7372   10.909   65.998   29.439   55.200   26.476 10.79823 39.59355 
1 1 1    5   15   42 o   98.925   28.992   17.020   7.9085   27.238   11.925   8.9968   10.567  117.317   35.893   77.163   32.067 40.15398 48.13145 
1 1 1    5   15   43 o   52.284   24.297  -2.7205   7.9310   8.0843   12.277 -10.4587   10.390   75.794   33.093   51.159   24.853 24.63441 41.38615 
1 1 1    5   15   44 o   83.204   32.653   13.448   10.271   24.700   17.962   7.9813   12.520   95.727   40.896   74.263   32.883 21.46403 52.47600 
1 1 1    5   15   45 o  100.250   29.007   18.892   7.9620   13.921   10.391   25.960   12.391   81.999   32.631  104.623   36.826 -22.62346 49.20335 
1 1 1    5   16    0 o  288.219   12.167  107.792   9.0837  121.690   13.018   94.604   12.681  305.553   16.509  269.078   18.302 36.47498 24.64831 
1 1 1    5   16    1 o  311.939   16.718  126.833   13.459  126.833   13.459   0.0000   0.0000  311.939   16.718  ?   ?  0.000000 16.71796 
1 1 1    5   16    2 o  299.896   23.524  118.000   18.127   0.0000   0.0000  118.000   18.127  ?   ?   299.896   23.524 0.000000 23.52377 
1 1 1    5   16    3 o  602.938   11.973  471.672   18.700  454.133   22.681  508.900   33.044  591.343   14.807  625.222   20.404 -33.87823 25.21054 
1 1 1    5   16    4 o  351.854   11.181  160.587   10.191  175.639   14.948  147.518   13.929  367.702   15.694  336.967   15.958 30.73566 22.38252 
1 1 1    5   16    5 o  783.425   11.171  796.104   22.669  818.876   32.668  774.955   31.482  793.940   15.885  772.377   15.735 21.56329 22.35932 
1 1 1    5   16    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   16    7 o  659.768   15.521  565.390   26.526   0.0000   0.0000  565.390   26.526  ?   ?   659.768   15.521 0.000000 15.52141 
1 1 1    5   16    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   16    9 o  1058.30   13.194  1453.62   36.169  1500.51   52.788  1412.13   49.656  1074.02   18.975  1042.05   18.396 31.97449 26.42842 
1 1 1    5   16   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   16   11 o  406.815   12.164  214.759   12.819  204.405   18.805  223.745   17.519  396.404   18.314  414.921   16.300 -18.51740 24.51779 
1 1 1    5   16   12 f  217.196   38.610   64.100   20.926   64.100   20.926   0.0000   0.0000  217.196   38.610  ?   ?  0.000000 38.61049 
1 1 1    5   16   13 o  429.695   15.953  240.021   17.756  236.600   25.008  243.500   25.216  425.209   22.788  431.409   22.644 -6.199829 32.12537 
1 1 1    5   16   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   16   15 o  298.034   14.383  115.438   11.103  115.360   16.487  115.503   15.021  296.523   21.613  297.041   19.633 -0.5180359 29.19896 
1 1 1    5   16   16 o  451.877   13.725  265.360   16.066  228.100   27.477  284.714   19.803  416.452   25.595  467.735   16.345 -51.28342 30.36918 
1 1 1    5   16   17 o  275.863   13.924   99.185   9.9174  148.400   24.057   89.109   10.885  334.820   27.995  261.139   16.172 73.68063 32.33042 
1 1 1    5   16   18 o  355.529   12.635  164.270   11.636  172.700   25.889  162.136   13.026  361.130   27.892  353.048   14.244 8.081207 31.31823 
1 1 1    5   16   19 o  184.120   18.318   44.682   8.6204   30.400   20.110   47.897   9.5414  149.362   46.765  190.457   19.621 -41.09483 50.71403 
1 1 1    5   16   20 o   71.556   28.425   3.6916   7.8722  -8.4280   20.272   5.8438   8.5426   90.979   40.951   78.868   30.089 12.11112 50.81626 
1 1 1    5   16   21 o  266.887   14.575   93.111   10.038   83.880   22.423   95.424   11.225  247.439   36.043  269.914   16.129 -22.47495 39.48711 
1 1 1    5   16   22 o  287.833   19.905  109.262   14.750   87.790   22.557  125.300   19.494  252.818   35.417  306.887   24.733 -54.06900 43.19810 
1 1 1    5   16   23 o  109.153   27.170   16.497   7.6520   36.810   20.977   13.380   8.2182  159.581   47.340   99.177   29.679 60.40423 55.87396 
1 1 1    5   16   24 o  153.318   22.458   31.783   8.6545   6.2670   21.091   36.949   9.4902  107.657   45.070  165.446   22.746 -57.78889 50.48442 
1 1 1    5   16   25 o  206.003   17.255   56.250   9.1225   26.120   21.992   62.512   10.026  137.604   48.993  217.029   17.997 -79.42404 52.19420 
1 1 1    5   16   26 o  194.565   24.796   51.692   12.213   0.0000   0.0000   51.692   12.213  ?   ?   194.565   24.796 0.000000 24.79646 
1 1 1    5   16   27 o  329.490   15.887  143.220   13.559  123.100   26.690  150.219   15.742  293.151   35.898  336.059   18.151 -42.90836 40.22620 
1 1 1    5   16   28 o   48.302   22.820  -7.9081   7.5035   4.0630   21.783  -9.5199   7.9927  102.617   44.448   48.495   23.096 54.12222 50.09021 
1 1 1    5   16   29 o  215.420   17.957   62.251   9.9286  113.400   23.423   51.047   10.962  281.151   32.777  193.095   22.328 88.05608 39.66003 
1 1 1    5   16   30 f  129.505   20.873   23.177   6.7641   30.474   9.2884   14.938   9.8698  146.962   25.313  101.864   32.864 45.09850 41.48277 
1 1 1    5   16   31 o  119.823   23.671   20.373   7.0863   26.746   10.322   14.693   9.7454  134.491   30.351  100.435   32.678 34.05613 44.59884 
1 1 1    5   16   32 o  145.811   19.394   29.325   7.1433   29.980   10.071   28.663   10.133  142.931   28.205  139.205   29.041 3.726654 40.48328 
1 1 1    5   16   33 o   50.790   23.670  -5.6020   7.6136   3.3164   9.1988 -25.0000   13.567   70.949   29.737   54.135   26.723 16.81405 39.98009 
1 1 1    5   16   34 o   78.109   30.221   7.4036   8.7016  -5.9820   19.274   10.831   9.7521   81.197   37.780   87.872   32.437 -6.675179 49.79442 
1 1 1    5   16   35 o  108.773   25.560   17.720   7.0798   24.491   9.4347   8.9931   10.711  125.832   29.465   84.164   33.244 41.66801 44.42218 
1 1 1    5   16   36 o   97.078   30.299   14.832   8.4493   23.960   13.807   9.3675   10.683  116.787   38.940   84.165   33.215 32.62273 51.18138 
1 1 1    5   16   37 o   87.689   30.009   11.929   8.2011   15.472   10.069   4.9470   14.135   97.239   33.251   80.858   35.401 16.38112 48.56838 
1 1 1    5   16   38 o  123.908   26.301   23.805   8.1803   18.372   11.644   29.099   11.495  102.281   35.717  130.434   33.760 -28.15280 49.14760 
1 1 1    5   16   39 o   53.472   24.519  -2.5115   7.6978   6.2230   11.043 -10.7675   10.736   75.482   32.151   53.648   25.868 21.83432 41.26590 
1 1 1    5   16   40 o   49.177   23.096  -4.7042   7.4842  -5.3779   10.481  -4.0033   10.690   57.483   27.100   59.518   27.840 -2.034451 38.85214 
1 1 1    5   16   41 o  109.558   28.856   20.633   8.3026   30.093   12.816   13.793   10.899  121.994   37.189   86.946   33.771 35.04762 50.23409 
1 1 1    5   16   42 o  122.351   26.145   24.749   8.0347   30.383   12.650   20.939   10.402  120.921   36.965  103.198   33.771 17.72219 50.06817 
1 1 1    5   16   43 o  124.057   37.064   32.945   12.825   22.040   17.225   46.510   19.212   93.365   39.971  127.696   45.757 -34.33087 60.75700 
1 1 1    5   16   44 f   50.620   23.956  -4.0057   8.3327  -1.3918   12.182  -6.3043   11.423   61.613   29.099   55.684   26.808 5.929188 39.56493 
1 1 1    5   16   45 o   62.966   27.784   4.8052   8.8634   6.6715   13.128   3.2419   12.015   69.331   31.876   64.541   29.963 4.790390 43.74751 
1 1 1    5   17    0 o  733.664   11.154  698.220   21.197  688.818   30.111  707.458   29.846  728.113   15.965  737.950   15.614 -9.836792 22.33119 
1 1 1    5   17    1 o  1270.42   20.004  2100.81   65.828   0.0000   0.0000  2100.81   65.828  ?   ?   1270.42   20.004 0.000000 20.00365 
1 1 1    5   17    2 o  616.321   10.995  492.707   17.552  495.072   25.065  490.432   24.588  617.318   15.675  614.446   15.448 2.872620 22.00826 
1 1 1    5   17    3 o  446.461   13.193  258.719   15.257  262.571   19.244  252.200   25.034  449.496   16.528  439.958   21.967 9.537842 27.49047 
1 1 1    5   17    4 o  783.138   13.330  796.078   27.040  791.537   33.217  805.000   46.557  780.454   16.431  785.830   22.872 -5.376831 28.16205 
1 1 1    5   17    5 o  462.042   17.817  277.589   21.324  277.589   21.324   0.0000   0.0000  462.042   17.817  ?   ?  0.000000 17.81722 
1 1 1    5   17    6 o  430.577   12.626  240.599   14.082  239.967   20.431  241.171   19.435  429.530   18.363  430.698   17.421 -1.167816 25.31193 
1 1 1    5   17    7 o  637.922   11.566  527.959   19.111  528.529   27.696  527.441   26.404  637.664   16.768  637.110   16.000 0.5540161 23.17660 
1 1 1    5   17    8 o  425.403   12.111  234.833   13.345  234.084   19.674  235.472   18.162  424.238   17.903  425.632   16.474 -1.393372 24.32931 
1 1 1    5   17    9 o  130.508   31.321   23.239   10.453   27.440   20.492   21.762   12.154  145.447   47.389  126.753   35.567 18.69397 59.25180 
1 1 1    5   17   10 o  641.567   16.079  535.066   26.720  537.700   37.338  532.300   38.255  642.023   22.452  638.652   23.124 3.371033 32.23065 
1 1 1    5   17   11 o  675.293   13.441  592.220   23.511  614.843   29.337  551.600   39.311  687.604   16.471  649.949   23.350 37.65479 28.57458 
1 1 1    5   17   12 o  862.946   11.908  966.640   26.618  1000.28   38.761  936.615   36.619  876.797   17.067  848.527   16.660 28.27014 23.85027 
1 1 1    5   17   13 o  545.291   11.409  385.950   16.115  390.754   23.214  381.482   22.388  548.041   16.353  541.558   15.959 6.483093 22.84983 
1 1 1    5   17   14 o  611.840   11.341  485.961   17.974  493.338   25.991  479.200   24.882  615.708   16.297  606.903   15.828 8.804871 22.71778 
1 1 1    5   17   15 o  646.256   11.339  542.265   18.981  543.748   27.286  540.875   26.423  646.282   16.299  644.667   15.823 1.615051 22.71634 
1 1 1    5   17   16 o  618.994   11.501  497.622   18.440  484.147   26.160  510.931   25.998  609.648   16.566  626.400   16.023 -16.75214 23.04671 
1 1 1    5   17   17 o  639.633   13.440  532.081   22.269  503.600   38.406  546.505   27.332  619.512   23.933  647.619   16.293 -28.10638 28.95266 
1 1 1    5   17   18 o  238.028   15.613   74.141   9.5733   85.580   22.069   71.490   10.625  251.072   34.876  233.367   17.709 17.70480 39.11450 
1 1 1    5   17   19 o  430.576   11.511  241.006   12.839  242.200   28.563  240.704   14.373  427.703   25.904  430.103   12.901 -2.399933 28.93873 
1 1 1    5   17   20 o  200.154   23.817   53.514   12.106  118.500   23.117   28.960   14.210  296.732   30.511  143.730   37.700 153.0026 48.49939 
1 1 1    5   17   21 o  354.287   18.395  164.974   16.823  170.700   26.690  161.200   21.670  356.542   29.154  348.364   24.164 8.177551 37.86598 
1 1 1    5   17   22 o  299.813   13.136  117.258   10.201  131.900   25.323  114.422   11.146  311.173   31.866  295.926   14.541 15.24762 35.02649 
1 1 1    5   17   23 o   89.546   30.752   10.124   8.6143   22.760   20.865   7.5274   9.4580  131.961   47.638   84.461   31.791 47.49975 57.27193 
1 1 1    5   17   24 o  180.729   18.499   43.556   8.5383   72.510   22.951   38.905   9.1985  223.344   41.189  169.874   21.378 53.47011 46.40642 
1 1 1    5   17   25 o  272.736   17.217   98.598   12.101   0.0000   0.0000   98.598   12.101  ?   ?   272.736   17.217 0.000000 17.21748 
1 1 1    5   17   26 o  295.521   16.852  115.873   12.847  114.600   27.143  116.240   14.584  280.643   38.342  294.954   19.192 -14.31079 42.87714 
1 1 1    5   17   27 o   69.302   28.414   3.0234   8.1472   18.000   22.980   0.8703   8.7131  121.772   48.505   66.777   28.504 54.99451 56.26008 
1 1 1    5   17   28 o  164.715   21.762   37.214   9.0577   47.040   22.850   35.382   9.8659  169.149   49.196  159.305   24.709 9.844330 55.05280 
1 1 1    5   17   29 o  288.437   13.676  109.831   10.218  120.800   24.331  107.482   11.259  288.206   33.198  284.257   15.348 3.948639 36.57398 
1 1 1    5   17   30 f  269.746   16.150   97.410   11.233  166.900   21.283   70.581   13.224  347.052   23.819  225.693   22.939 121.3589 33.06894 
1 1 1    5   17   31 o  238.198   16.421   76.423   10.070   68.760   21.734   78.518   11.363  205.467   42.248  240.292   18.395 -34.82578 46.07947 
1 1 1    5   17   32 o  293.599   19.546  118.465   14.780  116.200   23.729  119.900   18.892  275.638   33.952  289.738   25.430 -14.10068 42.41975 
1 1 1    5   17   33 o  162.639   22.746   37.742   9.3203   57.720   19.283   31.653   10.646  184.136   41.431  144.354   29.470 39.78261 50.84292 
1 1 1    5   17   34 o   69.052   27.079   5.3114   7.0593   17.746   10.474  -5.0388   9.5558  104.978   33.854   57.931   26.833 47.04715 43.19856 
1 1 1    5   17   35 o  198.731   17.050   54.459   8.6921   52.751   12.579   56.020   12.024  187.847   26.596  195.797   24.226 -7.950073 35.97520 
1 1 1    5   17   36 o   72.061   29.726   5.2391   8.9846   1.1330   11.746   11.030   13.949   71.125   31.654   89.721   37.028 -18.59566 48.71373 
1 1 1    5   17   37 o  128.075   24.820   24.931   7.9369   31.794   11.698   19.075   10.805  137.233   33.255  104.870   34.422 32.36317 47.86230 
1 1 1    5   17   38 o   51.604   23.498  -1.9868   6.9105  -5.0487   10.365   0.4637   9.2723   58.361   27.335   62.690   27.995 -4.328846 39.12729 
1 1 1    5   17   39 o   61.695   26.391   2.8913   7.4979  -1.9781   11.043   7.0565   10.213   62.770   28.994   74.646   31.313 -11.87656 42.67453 
1 1 1    5   17   40 o   57.034   25.200   1.0639   7.3148   0.8550   11.988   1.1879   9.2329   67.053   30.692   62.015   27.797 5.037388 41.40844 
1 1 1    5   17   41 o  112.260   35.931   25.891   11.816   0.0000   0.0000   25.891   11.816  ?   ?   112.260   35.931 0.000000 35.93145 
1 1 1    5   17   42 o   76.492   31.652   9.9765   10.231   12.654   12.471   4.4650   17.893   81.636   34.441   75.072   35.397 6.563667 49.38790 
1 1 1    5   17   43 o   63.504   28.779   2.8183   10.211   9.3650   20.080   0.5352   11.858   77.929   36.968   63.265   29.503 14.66372 47.29749 
1 1 1    5   17   44 o   53.019   24.358  -0.2501   7.6472  -2.3832   10.125   2.5833   11.669   55.821   26.414   63.748   29.571 -7.927406 39.65026 
1 1 1    5   18    0 o  432.997   14.475  243.503   16.235  239.400   29.808  245.234   19.358  427.010   27.089  434.283   17.208 -7.272278 32.09253 
1 1 1    5   18    1 o  338.714   16.551  149.133   14.521  137.600   26.804  153.924   17.276  322.096   32.575  343.322   19.507 -21.22534 37.96896 
1 1 1    5   18    2 o  644.164   13.295  538.695   22.183  513.800   38.688  550.888   27.076  627.466   23.803  651.060   16.055 -23.59393 28.71177 
1 1 1    5   18    3 o  630.064   13.319  515.385   21.738  507.700   38.515  518.978   26.333  623.704   23.839  631.909   16.088 -8.204773 28.75983 
1 1 1    5   18    4 o  435.860   16.788  246.995   18.954  210.600   27.149  281.600   26.473  400.508   26.316  464.752   21.990 -64.24362 34.29399 
1 1 1    5   18    5 o  323.956   19.457  137.126   16.252  149.600   24.772  127.700   21.533  336.757   28.671  311.294   26.971 25.46384 39.36372 
1 1 1    5   18    6 o  239.187   24.275   75.470   14.832   97.870   21.442   54.920   20.538  271.328   31.069  200.067   41.008 71.26036 51.44834 
1 1 1    5   18    7 o  529.667   15.968  364.718   21.908  376.500   32.967  355.400   29.318  536.943   23.703  522.031   21.681 14.91193 32.12309 
1 1 1    5   18    8 o  132.566   32.281   24.032   10.981   26.150   13.957   20.590   17.791  138.361   37.849  129.084   44.199 9.276703 58.19046 
1 1 1    5   18    9 o  668.721   11.316  580.358   19.601  560.398   27.567  600.768   27.877  656.418   16.213  679.716   15.833 -23.29846 22.66137 
1 1 1    5   18   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   18   11 o  634.297   11.532  522.297   18.947  547.518   27.822  500.486   25.874  648.629   16.559  620.225   16.105 28.40344 23.09944 
1 1 1    5   18   12 o  466.266   12.094  282.335   14.606  287.657   21.222  277.545   20.134  469.955   17.434  461.708   16.835 8.246735 24.23523 
1 1 1    5   18   13 o  417.730   12.257  226.672   13.262  232.644   19.334  221.365   18.227  422.524   17.665  412.238   17.069 10.28616 24.56447 
1 1 1    5   18   14 o  221.969   17.131   64.583   9.7733   75.410   14.693   55.992   13.089  238.667   24.097  205.080   25.167 33.58717 34.84298 
1 1 1    5   18   15 o  524.810   16.951  359.062   23.043  359.062   23.043   0.0000   0.0000  524.810   16.951  ?   ?  0.000000 16.95088 
1 1 1    5   18   16 o  569.762   11.782  421.891   17.389  407.699   25.146  434.895   24.071  558.973   17.367  577.620   16.088 -18.64746 23.67399 
1 1 1    5   18   17 o  625.789   13.314  509.637   21.582  537.000   39.432  497.934   25.787  639.008   23.823  617.875   16.112 21.13318 28.75993 
1 1 1    5   18   18 o  241.994   19.772   77.228   12.285   65.200   21.588   82.988   14.941  216.225   40.019  250.062   23.335 -33.83705 46.32513 
1 1 1    5   18   19 o  300.036   19.867  118.640   15.353  115.600   24.919  120.500   19.492  291.547   33.612  300.812   25.249 -9.264740 42.03885 
1 1 1    5   18   20 o  138.521   28.065   26.457   9.7249   50.760   21.958   20.527   10.847  187.157   45.691  121.360   33.436 65.79691 56.61846 
1 1 1    5   18   21 o  300.952   13.888  118.306   10.826  128.500   25.809  116.130   11.926  306.143   33.071  297.463   15.532 8.680206 36.53658 
1 1 1    5   18   22 o  113.538   32.969   18.062   10.270   65.780   22.070   4.8753   11.602  213.235   41.450   84.083   34.124 129.1522 53.68981 
1 1 1    5   18   23 o   87.050   30.396   9.4947   8.4328   3.6160   22.024   10.505   9.1285  104.855   45.052   90.985   31.633 13.87032 55.04824 
1 1 1    5   18   24 o   84.844   31.460   8.2465   9.1943   0.0000   0.0000   8.2465   9.1943  ?   ?    84.844   31.460 0.000000 31.46013 
1 1 1    5   18   25 o   77.003   31.188   4.4609   9.6700  -7.5760   23.763   6.8498   10.586   95.179   43.430   84.294   33.128 10.88498 54.62281 
1 1 1    5   18   26 o   57.779   26.008  -3.1417   8.1775   0.2419   23.316  -3.6163   8.7322  100.805   44.743   59.190   26.737 41.61600 52.12301 
1 1 1    5   18   27 o  113.596   28.456   18.647   8.3556   31.680   23.234   16.711   8.9547  141.008   50.342  107.271   30.681 33.73721 58.95448 
1 1 1    5   18   28 o  288.661   14.214  110.217   10.628  119.200   26.190  108.446   11.629  282.701   36.626  285.233   15.801 -2.531952 39.88911 
1 1 1    5   18   29 o  132.262   25.237   25.002   8.3307   19.040   20.786   26.143   9.0930  116.672   46.239  134.445   27.047 -17.77353 53.56824 
1 1 1    5   18   30 o  119.725   27.011   21.035   8.1776   8.6000   19.278   23.763   9.0303   99.047   42.341  126.822   28.217 -27.77445 50.88212 
1 1 1    5   18   31 o  225.273   15.924   68.551   9.2325  104.600   20.611   59.503   10.326  264.992   30.590  207.735   19.416 57.25664 36.23103 
1 1 1    5   18   32 o  118.614   36.245   23.085   12.164   28.480   19.830   19.830   15.402  124.967   46.229  110.032   40.734 14.93533 61.61506 
1 1 1    5   18   33 o  127.993   21.857   23.584   6.9864   42.220   18.684   20.555   7.5328  150.272   44.701  117.242   25.528 33.03027 51.47635 
1 1 1    5   18   34 o   52.423   23.506  -1.4436   6.6081 -20.9900   16.095   2.5192   7.2471   61.770   30.210   62.471   26.300 -0.7009163 40.05393 
1 1 1    5   18   35 o   66.186   26.627   4.5870   6.9979   5.4650   10.094   3.7745   9.7100   74.596   31.200   70.719   30.136 3.877167 43.37777 
1 1 1    5   18   36 o   82.419   32.994   9.4975   10.686   9.4975   10.686   0.0000   0.0000   82.419   32.994  ?   ?  0.000000 32.99384 
1 1 1    5   18   37 o   66.055   26.872   4.8193   7.2154   5.9705   10.078   3.6088   10.335   73.704   31.021   70.075   30.484 3.629539 43.49228 
1 1 1    5   18   38 o  135.777   22.063   27.799   7.4932   35.056   10.983   21.479   10.249  144.204   30.362  108.696   33.280 35.50900 45.04879 
1 1 1    5   18   39 o   79.220   28.660   10.416   7.5579   3.6068   11.657   15.355   9.9273   70.021   31.320   91.120   32.865 -21.09847 45.39916 
1 1 1    5   18   40 o   72.212   28.703   8.0565   8.0318   9.7267   11.492   6.4618   11.229   77.832   32.962   72.360   31.620 5.472603 45.67609 
1 1 1    5   18   41 o   53.210   24.862  -2.8126   8.4859   10.465   12.432 -14.3965   11.612   78.067   33.696   50.772   24.997 27.29495 41.95599 
1 1 1    5   18   42 o   72.620   31.062   8.5832   10.386   13.280   20.157   6.8855   12.119   81.022   38.004   71.268   31.903 9.754173 49.61908 
1 1 1    5   18   43 o   46.740   22.568  -6.8361   8.2389   0.9456   11.763 -14.3293   11.543   62.244   29.143   49.252   24.374 12.99123 37.99262 
1 1 1    5   18   44 o   53.614   25.080  -0.8140   8.6776 -12.6801   12.614   9.8486   11.957   51.394   25.442   71.131   31.776 -19.73648 40.70635 
1 1 1    5   19    0 o  371.271   12.342  178.946   11.869  168.321   17.128  188.761   16.463  359.091   18.477  380.948   16.683 -21.85764 24.89413 
1 1 1    5   19    1 o  439.204   11.754  250.368   13.372  237.811   19.107  262.424   18.721  427.522   17.254  449.236   16.088 -21.71417 23.59096 
1 1 1    5   19    2 o  566.393   10.999  416.268   16.137  409.184   23.230  422.874   22.433  560.966   15.987  570.383   15.183 -9.417847 22.04792 
1 1 1    5   19    3 o  299.106   13.958  116.226   10.814  134.560   16.141  101.295   14.566  320.782   19.518  278.022   20.368 42.75958 28.21049 
1 1 1    5   19    4 o  987.267   12.482  1265.53   31.920  1277.95   45.470  1253.46   44.819  990.848   17.716  981.331   17.632 9.516968 24.99479 
1 1 1    5   19    5 o  800.292   22.524  836.400   46.693   0.0000   0.0000  836.400   46.693  ?   ?   800.292   22.524 0.000000 22.52437 
1 1 1    5   19    6 o  725.927   13.175  684.500   24.774  710.077   31.497  643.000   40.120  738.762   16.459  701.734   22.072 37.02893 27.53287 
1 1 1    5   19    7 o  420.334   11.920  229.392   12.978  248.474   18.993  212.681   17.774  436.940   16.781  404.223   16.976 32.71701 23.87013 
1 1 1    5   19    8 o  436.749   11.982  247.689   13.555  260.842   19.822  236.137   18.577  447.597   17.097  425.907   16.839 21.68991 23.99703 
1 1 1    5   19    9 o  482.669   11.859  302.527   14.827  304.138   21.757  301.130   20.259  483.222   17.382  480.996   16.260 2.225861 23.80179 
1 1 1    5   19   10 o  537.185   11.862  374.773   16.506  415.302   24.757  342.344   22.146  564.680   16.926  512.728   16.674 51.95172 23.75949 
1 1 1    5   19   11 o  194.317   21.203   49.928   10.499   47.207   15.601   52.180   14.194  186.079   33.605  197.107   28.638 -11.02730 44.15207 
1 1 1    5   19   12 o  270.718   15.637   95.743   10.918   75.528   15.335  116.524   15.549  238.557   25.198  297.935   20.268 -59.37831 32.33820 
1 1 1    5   19   13 o  410.694   12.616  219.269   13.422  204.903   18.949  233.730   19.013  396.171   18.466  423.321   17.339 -27.14966 25.33018 
1 1 1    5   19   14 o  598.159   16.449  466.556   25.486  466.556   25.486   0.0000   0.0000  598.159   16.449  ?   ?  0.000000 16.44899 
1 1 1    5   19   15 f  628.047   11.608  512.738   18.885  501.625   26.744  523.789   26.670  620.005   16.653  633.669   16.248 -13.66364 23.26636 
1 1 1    5   19   16 o  310.398   14.983  125.618   12.047  127.283   18.130  124.302   16.120  310.325   22.712  307.256   20.369 3.068695 30.50837 
1 1 1    5   19   17 o   69.499   30.942  -3.7576   11.236 -27.5700   21.566   5.1142   13.163   78.223   37.442   89.571   36.349 -11.34782 52.18346 
1 1 1    5   19   18 o  271.358   22.339   97.736   15.563  103.500   24.620   93.900   20.085  274.468   35.458  263.419   29.968 11.04880 46.42593 
1 1 1    5   19   19 o  325.016   13.621  137.870   11.467  182.300   26.837  127.946   12.683  368.081   28.366  312.320   15.728 55.76147 32.43485 
1 1 1    5   19   20 o  194.603   23.197   50.958   11.463  110.500   25.015   35.133   12.896  282.201   34.969  158.160   32.564 124.0410 47.78347 
1 1 1    5   19   21 o  233.130   15.309   71.596   9.1932   87.880   25.002   69.051   9.8857  247.187   40.448  228.530   16.818 18.65706 43.80473 
1 1 1    5   19   22 o  227.803   16.316   68.679   9.5639   31.670   22.184   77.127   10.600  146.142   49.358  241.235   17.073 -95.09291 52.22766 
1 1 1    5   19   23 o  168.287   24.997   39.043   10.566   0.0000   0.0000   39.043   10.566  ?   ?   168.287   24.997 0.000000 24.99749 
1 1 1    5   19   24 o  170.565   26.629   40.617   11.381   50.790   26.063   38.220   12.651  175.497   52.928  163.336   31.035 12.16034 61.35627 
1 1 1    5   19   25 o   85.027   30.031   9.2825   8.2469  -5.0220   24.216   11.159   8.7712   97.116   44.131   91.030   31.035 6.086487 53.95105 
1 1 1    5   19   26 o  155.196   23.338   33.463   9.0917   28.810   23.516   34.281   9.8583  135.821   50.323  156.271   25.212 -20.45020 56.28535 
1 1 1    5   19   27 o  144.701   24.379   29.499   8.8129   55.900   23.100   25.002   9.5340  182.485   48.165  130.962   28.881 51.52310 56.15990 
1 1 1    5   19   28 o   69.735   27.603   4.6039   7.3989  -5.6790   20.248   6.1885   7.9486   86.343   39.656   75.085   28.931 11.25781 49.08738 
1 1 1    5   19   29 o  156.774   20.863   34.201   8.2620   67.480   21.905   28.682   8.9209  201.822   43.206  141.102   25.339 60.71967 50.08772 
1 1 1    5   19   30 o   70.021   28.165   4.6273   7.8276 -15.7800   20.104   8.2740   8.4983   75.925   36.290   80.351   30.156 -4.425804 47.18424 
1 1 1    5   19   31 o   69.257   30.780  -0.1962   11.069   2.2340   17.918  -1.6960   14.076   86.383   38.722   74.592   33.798 11.79044 51.39722 
1 1 1    5   19   32 o  192.112   17.375   50.900   8.5525   48.870   19.303   51.395   9.5401  162.104   44.580  191.574   19.497 -29.46988 48.65653 
1 1 1    5   19   33 o   71.275   27.982   6.0245   7.5456 -10.9000   18.186   9.5441   8.2932   72.941   34.766   81.491   29.939 -8.550735 45.88102 
1 1 1    5   19   34 o   67.742   28.318   3.9504   8.3087   0.0000   0.0000   3.9504   8.3087  ?   ?    67.742   28.318 0.000000 28.31751 
1 1 1    5   19   35 o   75.110   28.966   7.7194   7.9738   18.100   18.699   5.4123   8.8154  100.654   42.304   71.210   29.416 29.44408 51.52588 
1 1 1    5   19   36 o   81.910   30.826   10.466   8.8915   29.800   19.116   5.1274   10.044  115.098   44.720   72.042   30.674 43.05691 54.22862 
1 1 1    5   19   37 o   74.704   30.054   7.8742   8.9146   3.5160   17.171   9.4823   10.430   78.587   36.249   79.465   32.316 -0.8781204 48.56237 
1 1 1    5   19   38 o  228.420   22.252   79.366   12.999   79.366   12.999   0.0000   0.0000  228.420   22.252  ?   ?  0.000000 22.25224 
1 1 1    5   19   39 o   66.177   27.876   5.2994   8.1487  -4.6298   11.966   13.885   11.127   60.023   28.493   85.312   33.825 -25.28961 44.22606 
1 1 1    5   19   40 o   96.804   30.290   17.625   8.4384   32.494   12.326   4.5104   11.576  124.559   36.106   68.659   30.921 55.89945 47.53713 
1 1 1    5   19   41 o   67.660   30.659   4.6202   11.585 -20.8300   19.746   17.980   14.307   60.717   30.344   87.115   36.828 -26.39822 47.71869 
1 1 1    5   19   42 o   53.534   24.967  -1.4257   8.4955  -3.9850   12.074   1.0839   11.956   58.004   27.830   62.659   29.351 -4.654987 40.44747 
1 1 1    5   19   43 o  114.013   28.203   24.701   8.2831   20.770   10.974   29.906   12.627   91.867   34.310  106.977   37.204 -15.11026 50.60915 
1 1 1    5   20    0 o  396.945   12.363  204.641   12.712  220.384   18.912  191.666   17.169  411.322   17.750  383.646   17.277 27.67651 24.76982 
1 1 1    5   20    1 o  281.655   21.603  104.215   15.641  104.215   15.641   0.0000   0.0000  281.655   21.603  ?   ?  0.000000 21.60284 
1 1 1    5   20    2 o  403.644   17.157  212.165   17.939   0.0000   0.0000  212.165   17.939  ?   ?   403.644   17.157 0.000000 17.15728 
1 1 1    5   20    3 o  580.502   11.292  437.485   16.980  449.344   24.980  427.299   23.151  587.540   16.414  573.086   15.595 14.45435 22.64126 
1 1 1    5   20    4 o  554.198   11.384  398.769   16.342  411.569   24.015  387.730   22.301  562.262   16.489  545.855   15.773 16.40668 22.81808 
1 1 1    5   20    5 o  843.489   11.898  924.008   25.997  930.919   36.840  917.154   36.689  845.476   16.822  839.187   16.878 6.289185 23.82965 
1 1 1    5   20    6 o  825.774   13.732  886.498   29.373  885.188   36.516  888.900   49.441  824.311   17.102  824.041   23.163 0.2703857 28.79219 
1 1 1    5   20    7 o  675.738   13.291  593.552   23.265  590.178   29.039  599.600   38.873  673.117   16.655  676.983   22.168 -3.865723 27.72717 
1 1 1    5   20    8 o  598.603   11.749  465.461   18.217  495.270   26.542  438.912   25.049  616.562   16.619  580.415   16.661 36.14771 23.53260 
1 1 1    5   20    9 o  256.524   16.695   86.115   11.033   73.985   15.642   98.125   15.565  235.855   26.038  272.873   22.213 -37.01852 34.22591 
1 1 1    5   20   10 o  395.491   13.050  203.390   13.369  193.893   18.888  212.923   18.924  385.300   18.925  403.913   18.087 -18.61246 26.17843 
1 1 1    5   20   11 o  312.443   22.593  128.678   18.162  128.678   18.162   0.0000   0.0000  312.443   22.593  ?   ?  0.000000 22.59329 
1 1 1    5   20   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   20   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   20   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   20   15 o  334.628   15.830  146.231   13.721  133.700   25.828  151.158   16.195  314.478   32.159  339.221   18.501 -24.74304 37.10143 
1 1 1    5   20   16 o  383.514   17.862  192.721   17.744  179.900   26.975  202.500   23.558  366.207   28.666  390.865   23.376 -24.65784 36.98902 
1 1 1    5   20   17 o   89.338   32.383   9.1801   9.6557   7.8938   16.215   9.8868   12.019  100.843   40.545   95.786   35.880 5.056801 54.14157 
1 1 1    5   20   18 o  326.517   16.842  140.236   14.196  150.100   27.614  136.693   16.551  331.066   32.624  321.350   19.983 9.715820 38.25786 
1 1 1    5   20   19 o  154.629   23.839   32.561   9.2414   68.260   23.344   25.927   10.064  216.243   43.188  136.032   29.416 80.21115 52.25459 
1 1 1    5   20   20 o  153.647   23.329   32.213   8.9931   10.580   23.391   35.966   9.7419  115.632   47.854  162.330   23.882 -46.69751 53.48234 
1 1 1    5   20   21 o  116.750   29.060   19.368   8.7537   25.600   22.515   18.258   9.5011  135.092   49.376  113.123   31.343 21.96883 58.48426 
1 1 1    5   20   22 o  239.619   22.310   77.804   13.688   0.0000   0.0000   77.804   13.688  ?   ?   239.619   22.310 0.000000 22.30965 
1 1 1    5   20   23 o   63.114   27.234   0.0757   8.1160 -40.7300   24.353   5.1740   8.6081   74.310   36.510   75.406   29.797 -1.096123 47.12587 
1 1 1    5   20   24 o  117.529   28.772   19.982   8.6886   58.750   24.941   14.627   9.2692  188.117   50.237  101.124   31.763 86.99316 59.43610 
1 1 1    5   20   25 o   86.915   29.944   10.163   8.1704  -8.4540   21.436   13.327   8.8376   87.613   40.443   96.726   31.087 -9.112991 51.01047 
1 1 1    5   20   26 o  163.358   21.078   36.808   8.7109   53.960   21.569   33.465   9.5221  180.306   46.025  153.946   24.715 26.36028 52.24081 
1 1 1    5   20   27 o  159.240   21.780   35.329   8.7483   12.590   20.159   40.605   9.7103  106.012   44.194  170.471   22.543 -64.45933 49.61157 
1 1 1    5   20   28 o  125.383   25.219   22.811   7.9068   46.950   20.635   18.657   8.5602  163.115   46.546  111.370   29.284 51.74487 54.99200 
1 1 1    5   20   29 o  215.165   21.701   64.975   11.930   59.000   21.882   67.502   14.231  181.267   46.405  215.886   25.969 -34.61858 53.17678 
1 1 1    5   20   30 o   88.627   35.374   10.114   12.245 -12.5500   20.248   23.180   15.374   77.151   36.749  115.884   40.995 -38.73367 55.05553 
1 1 1    5   20   31 o  159.920   20.908   36.415   8.4535   46.250   21.556   34.628   9.1896  150.710   48.563  153.912   23.820 -3.202347 54.09048 
1 1 1    5   20   32 o   70.664   28.106   5.7186   7.7053   6.2650   18.026   5.5964   8.5232   88.108   39.212   72.025   29.242 16.08327 48.91525 
1 1 1    5   20   33 o   63.199   26.660   2.8613   7.4707 -22.7300   17.593   8.4910   8.2516   63.120   31.016   77.896   29.606 -14.77502 42.87838 
1 1 1    5   20   34 o   45.871   22.290 -11.3211   8.3735   0.0000   0.0000 -11.3211   8.3735  ?   ?    45.871   22.290 0.000000 22.29024 
1 1 1    5   20   35 o   61.436   26.411   2.3740   7.5768  -9.8740   16.979   5.4196   8.4666   68.398   32.866   69.635   28.802 -1.236816 43.70063 
1 1 1    5   20   36 o   46.166   22.025  -6.6801   7.3341   3.7470   18.388  -8.6526   7.9978   79.847   37.069   46.404   22.363 33.44285 43.29177 
1 1 1    5   20   37 o   84.556   30.176   12.513   8.3473  -3.6790   19.792   16.016   9.2062   73.655   35.416   93.330   31.795 -19.67536 47.59406 
1 1 1    5   20   38 o   50.784   23.600  -2.7022   7.4830  -7.3070   18.994  -1.8562   8.1415   68.778   33.456   53.910   24.899 14.86838 41.70467 
1 1 1    5   20   39 o   58.547   26.838   0.0963   9.2125   22.030   19.882  -5.9003   10.396   90.625   40.694   54.413   26.032 36.21212 48.30819 
1 1 1    5   20   40 o   77.177   33.649   11.252   12.654   4.1880   19.871   16.070   16.411   73.696   35.448   83.169   37.185 -9.472961 51.37397 
1 1 1    5   20   41 o   79.453   29.654   12.478   8.1948   13.123   10.941   11.654   12.368   78.697   32.662   75.952   33.187 2.744789 46.56371 
1 1 1    5   20   42 o   67.031   28.769   7.7070   8.9636   12.057   13.058   3.8313   12.326   74.192   33.170   64.245   30.000 9.946426 44.72421 
1 1 1    5   21    0 o  334.498   13.816  145.520   11.971  128.144   17.098  162.230   16.767  312.300   21.262  352.135   18.446 -39.83536 28.14873 
1 1 1    5   21    1 o  471.357   12.095  288.681   14.767  293.534   21.577  284.405   20.254  474.460   17.556  467.168   16.737 7.292175 24.25601 
1 1 1    5   21    2 o  392.811   13.022  200.595   13.250  190.216   19.131  210.163   18.368  381.152   19.441  401.438   17.665 -20.28568 26.26796 
1 1 1    5   21    3 o  311.833   14.810  126.562   11.963  124.121   17.763  128.588   16.183  307.034   22.492  313.053   20.062 -6.019196 30.13920 
1 1 1    5   21    4 o  467.895   12.193  284.507   14.777  305.164   21.735  266.753   20.151  483.744   17.346  452.302   17.199 31.44141 24.42751 
1 1 1    5   21    5 o  501.340   12.063  326.637   15.665  322.640   22.497  330.398   21.826  497.338   17.463  503.427   16.737 -6.089355 24.18906 
1 1 1    5   21    6 o  950.419   24.617  1187.00   60.603   0.0000   0.0000  1187.00   60.603  ?   ?   950.419   24.617 0.000000 24.61656 
1 1 1    5   21    7 o  698.276   13.559  634.397   24.525  617.021   30.349  667.100   41.636  687.739   17.036  713.184   22.538 -25.44476 28.25238 
1 1 1    5   21    8 f  446.847   14.483  260.014   16.764  261.440   21.494  257.800   26.786  447.296   18.551  442.406   23.458 4.889526 29.90720 
1 1 1    5   21    9 o  676.111   11.875  594.315   20.797  599.245   29.883  589.683   28.963  677.547   17.027  672.240   16.633 5.307312 23.80251 
1 1 1    5   21   10 o  103.904   33.570   14.113   10.296  -8.7603   15.470   32.299   13.794   77.191   35.153  152.283   35.607 -75.09096 50.03523 
1 1 1    5   21   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   21   12 o  298.968   17.305  117.260   13.344  119.900   23.576  116.016   16.186  298.232   30.970  296.423   21.221 1.809601 37.54327 
1 1 1    5   21   13 o  473.028   16.833  292.650   20.625  299.100   30.329  287.100   28.132  474.934   24.739  466.450   23.283 8.483765 33.97229 
1 1 1    5   21   14 o  507.852   22.620  340.500   29.756   0.0000   0.0000  340.500   29.756  ?   ?   507.852   22.620 0.000000 22.61951 
1 1 1    5   21   15 f  586.785   11.954  448.587   18.169  465.702   27.121  434.650   24.473  595.839   17.572  576.102   16.400 19.73700 24.03590 
1 1 1    5   21   16 f  249.072   17.327   81.836   11.109   88.637   16.876   76.634   14.758  256.547   25.742  238.927   24.179 17.62033 35.31691 
1 1 1    5   21   17 o  443.439   12.993  256.910   14.925  242.501   22.035  269.123   20.286  428.343   19.860  452.334   17.314 -23.99072 26.34735 
1 1 1    5   21   18 o  438.375   13.053  251.387   14.821  248.850   22.357  253.377   19.797  433.310   19.918  438.405   17.433 -5.094910 26.47018 
1 1 1    5   21   19 o  245.768   16.389   79.961   10.374  127.900   26.288   71.119   11.290  301.194   34.307  230.831   19.052 70.36238 39.24252 
1 1 1    5   21   20 o  204.938   20.325   56.573   10.647   0.0000   0.0000   56.573   10.647  ?   ?   204.938   20.325 0.000000 20.32483 
1 1 1    5   21   21 o  168.591   27.631   39.973   11.649   0.0000   0.0000   39.973   11.649  ?   ?   168.591   27.631 0.000000 27.63142 
1 1 1    5   21   22 o  259.578   15.620   89.534   10.454  103.500   27.309   87.137   11.316  260.623   41.870  255.381   17.206 5.242340 45.26767 
1 1 1    5   21   23 o  149.986   22.953   31.257   8.6338   39.190   23.879   30.064   9.2603  152.545   51.211  145.968   25.415 6.577133 57.17075 
1 1 1    5   21   24 o   66.184   27.555   2.3880   7.8227  -5.9790   20.591   3.7993   8.4567   87.624   40.150   71.155   29.036 16.46850 49.54914 
1 1 1    5   21   25 o  120.497   27.459   21.196   8.3795   17.500   19.957   21.987   9.2328  113.429   45.195  121.844   29.556 -8.414406 54.00179 
1 1 1    5   21   26 o   94.065   27.450   12.962   7.1032  -2.0700   19.626   15.228   7.6197   87.695   39.804  101.458   28.053 -13.76276 48.69620 
1 1 1    5   21   27 o  113.337   28.073   19.235   8.1986   30.250   20.285   17.084   8.9634  130.612   46.995  105.836   30.821 24.77672 56.20031 
1 1 1    5   21   28 o   66.372   29.430  -0.4139   10.063   15.500   18.716  -6.8851   11.935  104.561   42.991   63.497   29.606 41.06356 52.19942 
1 1 1    5   21   29 o   53.818   24.621  -3.2988   7.7002   3.7060   16.317  -5.3058   8.7339   84.633   37.504   54.772   25.467 29.86099 45.33339 
1 1 1    5   21   30 o   62.336   26.380   2.3277   7.3524   4.3030   18.594   1.9616   8.0048   87.379   39.286   63.496   27.218 23.88394 47.79282 
1 1 1    5   21   31 o  134.069   25.390   27.171   8.4945   45.360   21.201   23.693   9.2712  145.529   48.240  121.782   29.665 23.74757 56.63148 
1 1 1    5   21   32 o   66.299   27.809   3.7358   8.0542  -3.5000   19.616   5.2030   8.8330   79.339   37.302   71.017   29.400 8.321533 47.49552 
1 1 1    5   21   33 o   93.620   32.130   14.772   9.4028   0.0000   0.0000   14.772   9.4028  ?   ?    93.620   32.130 0.000000 32.13004 
1 1 1    5   21   34 o   96.972   29.141   15.737   7.9109   25.470   16.719   12.929   8.9797  109.048   41.975   87.751   31.300 21.29741 52.36026 
1 1 1    5   21   35 o   63.929   27.019   3.9002   7.6970  -8.8810   18.481   6.5825   8.4662   69.874   33.753   70.966   29.016 -1.092346 44.51061 
1 1 1    5   21   36 o   72.208   28.530   7.8809   7.8913   14.620   17.526   6.1674   8.8378   87.611   38.844   69.512   29.142 18.09928 48.56044 
1 1 1    5   21   37 o   56.575   25.669   0.0738   8.1521   6.3300   19.115  -1.3170   9.0128   77.966   36.708   56.742   26.204 21.22403 45.10144 
1 1 1    5   21   38 f   57.512   26.015   0.9277   8.2991 -13.8100   19.289   4.2757   9.1936   63.834   31.576   64.516   28.390 -0.6820107 42.46252 
1 1 1    5   21   39 o   77.409   32.351   11.720   10.841   32.280   20.441   3.6727   12.788   97.362   42.600   67.229   31.105 30.13326 52.74787 
1 1 1    5   21   40 o   48.487   23.747 -10.1319   10.053  -8.9470   19.059 -10.5886   11.833   63.421   31.374   52.113   25.573 11.30756 40.47610 
1 1 1    5   21   41 o   68.891   28.792   8.8258   8.5869   7.0190   20.233   9.2228   9.4834   70.768   34.448   69.727   29.750 1.040787 45.51635 
1 1 1    5   21   42 o   78.487   32.010   15.344   10.271 -10.5800   17.491   28.988   12.689   57.628   28.763   99.726   36.962 -42.09781 46.83509 
1 1 1    5   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   22    1 o  314.510   14.985  128.886   12.208  131.462   18.377  126.851   16.333  315.653   22.626  310.574   20.416 5.078979 30.47511 
1 1 1    5   22    2 f  394.672   13.045  202.671   13.337  210.492   19.899  196.293   17.970  401.154   19.150  387.628   17.897 13.52551 26.21114 
1 1 1    5   22    3 f  307.294   15.045  123.061   11.976  118.949   17.589  126.616   16.351  300.090   22.798  310.237   20.463 -10.14670 30.63429 
1 1 1    5   22    4 o  236.924   17.830   73.751   10.862   64.467   16.032   81.629   14.768  218.771   29.006  248.141   23.247 -29.37054 37.17180 
1 1 1    5   22    5 o  275.993   15.548   99.647   11.070   93.792   15.984  105.044   15.346  266.037   23.434  282.224   21.146 -16.18735 31.56419 
1 1 1    5   22    6 o  460.495   12.058  275.823   14.383  287.332   21.007  265.665   19.735  468.947   17.294  451.009   16.893 17.93719 24.17509 
1 1 1    5   22    7 o  292.195   17.717  112.037   13.347  113.960   17.289  109.200   20.997  293.428   22.928  285.435   28.792 7.993408 36.80613 
1 1 1    5   22    8 o  222.813   21.977   65.888   12.519   65.964   16.296   65.780   19.555  220.949   29.188  218.452   35.798 2.496979 46.18941 
1 1 1    5   22    9 o  258.459   20.034   88.181   13.308  135.800   24.257   67.678   15.917  317.851   29.811  224.066   28.038 93.78502 40.92475 
1 1 1    5   22   10 o  478.476   17.035  299.552   21.113  303.100   31.626  296.700   28.357  477.597   25.658  474.183   23.087 3.413605 34.51556 
1 1 1    5   22   11 o  389.865   18.504  199.397   18.687  182.400   27.914  213.200   25.154  368.214   29.515  400.581   24.358 -32.36667 38.26772 
1 1 1    5   22   12 o  282.285   18.411  105.047   13.389   80.502   16.805  147.700   22.153  244.374   26.999  332.267   25.945 -87.89285 37.44430 
1 1 1    5   22   13 f  342.047   14.593  152.946   12.929  157.200   18.731  149.074   17.870  344.430   21.096  335.533   20.661 8.896454 29.52817 
1 1 1    5   22   14 o   95.431   33.125   11.455   10.008   20.899   15.794   5.1188   12.937  124.011   41.649   88.125   35.931 35.88616 55.00566 
1 1 1    5   22   15 o  172.872   25.581   40.818   11.109   38.334   16.779   42.756   14.823  162.211   40.150  173.802   34.144 -11.59088 52.70483 
1 1 1    5   22   16 o  331.313   14.323  143.908   12.292  154.551   19.370  136.733   15.904  339.855   22.124  320.863   19.224 18.99182 29.30935 
1 1 1    5   22   17 o  139.578   29.237   27.540   10.232   25.450   14.655   29.528   14.292  131.851   39.672  141.703   38.109 -9.852295 55.01044 
1 1 1    5   22   18 o  178.273   24.639   43.718   11.074   22.496   17.168   58.838   14.491  125.353   43.392  205.686   27.920 -80.33279 51.59850 
1 1 1    5   22   19 o  112.915   38.833   17.976   13.739   17.820   18.473   18.170   20.554  116.840   44.324  119.533   46.391 -2.693314 64.16203 
1 1 1    5   22   20 f  158.290   27.391   35.464   10.824   33.250   24.035   36.028   12.123  144.143   51.230  157.930   30.741 -13.78690 59.74538 
1 1 1    5   22   21 o  121.796   27.885   21.418   8.6078 -20.9300   25.811   26.717   9.1305   87.267   41.546  136.874   26.712 -49.60705 49.39231 
1 1 1    5   22   22 f  188.954   19.732   48.640   9.5155   55.610   24.014   47.341   10.364  180.644   49.743  185.291   22.024 -4.646973 54.40044 
1 1 1    5   22   23 o   85.668   29.048   10.108   7.6839 -21.4400   18.476   16.706   8.4492   70.291   33.903  106.390   29.586 -36.09989 44.99741 
1 1 1    5   22   24 o  115.884   27.318   19.721   8.0662   55.580   21.804   14.035   8.6822  180.334   46.407   97.624   30.753 82.71059 55.67178 
1 1 1    5   22   25 o  178.249   18.431   43.529   8.3871   60.830   22.049   40.602   9.0688  187.660   45.769  170.768   20.941 16.89232 50.33242 
1 1 1    5   22   26 o   76.999   27.283   8.0264   6.8119   45.800   21.545   3.8312   7.1802  156.504   48.307   66.307   26.868 90.19731 55.27600 
1 1 1    5   22   27 o   93.039   32.143   13.114   9.4183  -5.9490   21.085   17.865   10.527   83.695   39.133  105.705   33.923 -22.01027 51.79001 
1 1 1    5   22   28 o   67.005   28.690   2.4226   8.8764   19.080   21.293  -1.0811   9.7654  107.761   45.209   63.688   28.564 44.07390 53.47650 
1 1 1    5   22   29 o   55.382   24.858  -1.3351   7.4103  -0.2075   19.903  -1.5166   7.9843   84.105   38.875   57.055   25.689 27.04968 46.59627 
1 1 1    5   22   30 o   51.657   23.272  -1.5240   6.5637  -1.7330   18.851  -1.4952   7.0018   80.097   37.300   53.339   24.032 26.75810 44.37185 
1 1 1    5   22   31 o   89.773   29.123   12.984   7.7426   10.690   17.160   13.571   8.6759   89.884   39.188   91.066   30.867 -1.181854 49.88443 
1 1 1    5   22   32 o   79.081   30.776   9.2174   9.0652   0.0000   0.0000   9.2174   9.0652  ?   ?    79.081   30.776 0.000000 30.77629 
1 1 1    5   22   33 o   79.090   29.473   9.8457   8.0891  -4.6510   18.609   13.223   8.9821   73.952   35.226   88.079   31.316 -14.12705 47.13392 
1 1 1    5   22   34 o   74.430   29.078   8.4011   8.1164  -9.2870   18.297   12.735   9.0562   68.880   33.348   85.501   31.305 -16.62132 45.73964 
1 1 1    5   22   35 o   83.453   29.145   12.214   7.7533   28.350   16.930   7.9321   8.7217  106.329   41.860   72.692   29.555 33.63681 51.24183 
1 1 1    5   22   36 o   52.080   24.411  -3.2867   8.2914  -6.1150   18.908  -2.6133   9.2258   68.502   33.335   55.376   25.890 13.12614 42.20823 
1 1 1    5   22   37 o   74.747   28.839   9.9502   7.9065   5.2720   17.838   11.094   8.8203   73.730   34.938   77.308   30.282 -3.578133 46.23496 
1 1 1    5   22   38 o   57.863   27.244  -1.5310   10.532 -15.7900   19.212   4.5944   12.592   61.172   30.470   67.533   31.111 -6.361450 43.54660 
1 1 1    5   22   39 o   59.656   27.637   1.3930   10.143 -11.3800   19.255   6.2980   11.932   61.989   30.816   67.698   30.846 -5.708328 43.60132 
1 1 1    5   22   40 o   52.889   24.957  -1.6164   8.9247   0.6917   19.490  -2.2288   10.039   66.410   32.635   54.383   25.896 12.02643 41.66153 
1 1 1    5   22   41 o   47.570   22.840  -4.0356   8.1639   2.2580   19.480  -5.3766   8.9917   64.864   32.019   48.169   23.335 16.69545 39.61992 
1 1 1    5   23    0 o   84.109   33.795   4.9008   11.256  -1.1630   21.275   7.2582   13.265  100.586   43.747   93.716   37.003 6.870529 57.29774 
1 1 1    5   23    1 o  296.352   17.776  115.340   13.582  109.200   25.276  117.833   16.105  282.668   35.289  298.756   20.944 -16.08786 41.03602 
1 1 1    5   23    2 f  275.204   18.338   99.621   12.998   98.020   24.501  100.248   15.333  267.135   36.352  275.238   21.682 -8.102661 42.32689 
1 1 1    5   23    3 o  320.443   17.243  134.712   14.260  138.700   26.430  133.075   16.936  320.162   32.312  317.592   20.700 2.569733 38.37370 
1 1 1    5   23    4 o  288.541   18.413  109.525   13.690  122.300   23.839  103.240   16.722  300.867   31.034  278.776   23.373 22.09027 38.85126 
1 1 1    5   23    5 o  283.223   21.640  106.208   15.756  120.600   24.719   96.360   20.448  298.007   32.552  266.966   30.095 31.04129 44.33220 
1 1 1    5   23    6 o  578.372   16.508  437.597   24.731  469.200   37.173  412.500   33.126  595.555   24.096  558.990   22.878 36.56543 33.22688 
1 1 1    5   23    7 o  247.246   24.504   81.726   15.487   77.560   23.997   84.700   20.274  234.484   41.002  249.029   32.183 -14.54483 52.12389 
1 1 1    5   23    8 o  216.428   22.422   62.509   12.388   59.355   16.103   67.080   19.389  208.170   30.793  219.830   35.240 -11.65964 46.79798 
1 1 1    5   23    9 o  144.419   32.268   29.220   11.767   27.245   15.153   32.220   18.676  138.541   39.996  149.832   44.718 -11.29155 59.99467 
1 1 1    5   23   10 o  435.949   13.140  248.062   14.839  260.795   21.444  236.365   20.554  445.278   18.592  423.864   18.720 21.41342 26.38406 
1 1 1    5   23   11 o  362.897   19.687  174.235   18.437   0.0000   0.0000  174.235   18.437  ?   ?   362.897   19.687 0.000000 19.68701 
1 1 1    5   23   12 o  245.395   18.495   79.811   11.670   93.754   18.349   70.342   15.122  262.702   27.367  227.699   26.111 35.00345 37.82524 
1 1 1    5   23   13 f  262.791   18.090   91.524   12.239   73.715   18.444  105.537   16.360  230.228   31.774  280.505   22.711 -50.27705 39.05600 
1 1 1    5   23   14 o  269.751   16.597   96.220   11.541   93.692   17.170   98.304   15.587  262.515   25.575  270.395   22.457 -7.879913 34.03553 
1 1 1    5   23   15 o  270.160   17.014   96.796   11.845   98.485   17.153   95.256   16.377  268.994   24.901  264.902   24.132 4.091736 34.67568 
1 1 1    5   23   16 o  108.676   33.090   16.862   10.151  -8.8532   16.676   32.000   12.795   77.977   35.878  148.128   34.059 -70.15176 49.46967 
1 1 1    5   23   17 o  180.661   36.155   48.164   16.329   44.980   22.846   51.490   23.347  166.630   49.397  178.495   49.004 -11.86523 69.58026 
1 1 1    5   23   18 o   90.408   36.358   7.7317   13.041   23.672   16.103 -22.6500   22.231  125.344   42.054   79.368   37.996 45.97636 56.67706 
1 1 1    5   23   19 o   88.472   32.829   9.6942   10.015   31.073   16.592  -2.5606   12.562  140.308   42.211   72.752   32.530 67.55686 53.29111 
1 1 1    5   23   20 o  196.691   25.414   54.320   12.645   53.910   26.753   54.438   14.349  173.671   53.867  194.471   29.404 -20.80060 61.36926 
1 1 1    5   23   21 o  125.755   25.446   22.686   8.0043   20.760   22.415   22.967   8.5692  120.326   47.913  125.811   27.096 -5.484734 55.04358 
1 1 1    5   23   22 o  111.571   29.858   18.591   8.7989   47.410   23.450   13.869   9.4925  162.246   50.450   97.447   32.278 64.79913 59.89196 
1 1 1    5   23   23 o  113.296   27.361   18.999   7.9391   62.870   24.114   13.666   8.4078  187.402   49.089   96.022   30.265 91.37997 57.66937 
1 1 1    5   23   24 o   98.739   29.551   14.716   8.1472  -7.9330   21.163   18.656   8.8276   83.843   39.203  110.537   30.044 -26.69465 49.39157 
1 1 1    5   23   25 o   48.148   22.730  -6.7898   7.4195   3.4410   19.704  -8.4802   8.0090   90.597   40.608   48.492   23.102 42.10465 46.71954 
1 1 1    5   23   26 o  120.288   37.028   24.566   12.669   29.750   20.495   21.360   16.116  124.134   46.784  111.114   41.562 13.02015 62.57929 
1 1 1    5   23   27 o   48.788   23.105  -6.9897   7.7775   8.8490   19.630  -9.9389   8.4707   93.218   41.230   48.144   23.154 45.07456 47.28672 
1 1 1    5   23   28 o  118.484   27.876   22.045   8.4124   27.110   19.798   20.929   9.2930  115.465   45.327  113.156   30.855 2.309662 54.83260 
1 1 1    5   23   29 o   47.726   22.570  -6.1691   7.3739  -7.0950   18.773  -6.0002   8.0184   74.911   35.597   50.328   23.720 24.58291 42.77603 
1 1 1    5   23   30 o  106.237   26.980   18.019   7.4383   19.380   19.817   17.796   8.0251  100.767   43.000  104.236   28.777 -3.468750 51.74052 
1 1 1    5   23   31 o   93.115   32.778   15.117   9.8165   0.0000   0.0000   15.117   9.8165  ?   ?    93.115   32.778 0.000000 32.77782 
1 1 1    5   23   32 o   87.415   29.927   13.025   8.1564   3.3650   18.723   15.287   9.0614   79.767   37.155   93.039   31.545 -13.27229 48.74006 
1 1 1    5   23   33 o   79.450   28.893   10.548   7.6955   11.300   14.975   10.279   8.9707   83.450   36.489   78.911   30.642 4.539299 47.64861 
1 1 1    5   23   34 o   56.513   25.336   0.6687   7.6741 -23.4600   18.778   5.5062   8.4082   60.149   29.986   66.860   28.248 -6.710403 41.19606 
1 1 1    5   23   35 o   72.571   29.355   8.7062   8.5552   14.950   19.349   7.1889   9.5383   83.676   38.554   70.216   29.894 13.46012 48.78603 
1 1 1    5   23   36 o   43.220   21.050  -8.7230   7.5847  -5.9410   14.447  -9.7814   8.9116   60.985   29.552   46.348   22.627 14.63725 37.21933 
1 1 1    5   23   37 o   66.155   29.691   5.5292   10.570 -14.8400   20.016   13.406   12.448   61.873   30.864   78.379   33.775 -16.50636 45.75259 
1 1 1    5   23   38 f   56.382   26.565  -0.9277   10.044  -6.9340   18.893   1.4386   11.858   63.146   31.238   61.582   28.969 1.564560 42.60357 
1 1 1    5   23   39 o   61.305   27.388   4.9278   8.8838   20.340   19.527   0.9054   9.9760   78.297   36.936   57.302   26.832 20.99501 45.65362 
1 1 1    5   23   40 o   52.094   24.648  -0.9355   8.8132   13.910   19.678  -4.6606   9.8571   70.707   34.315   50.349   24.401 20.35793 42.10641 
1 1 1    5   24    0 o  334.965   22.767  149.120   19.637  149.120   19.637   0.0000   0.0000  334.965   22.767  ?   ?  0.000000 22.76729 
1 1 1    5   24    1 o  328.900   15.052  141.444   12.823  143.473   19.101  139.780   17.302  328.585   22.579  324.981   20.660 3.603180 30.60488 
1 1 1    5   24    2 o  275.106   17.028   99.600   12.075  113.442   18.161   88.635   16.164  291.374   24.284  257.231   24.558 34.14352 34.53717 
1 1 1    5   24    3 o  418.792   13.151  228.857   14.266  238.454   20.810  220.349   19.594  425.807   18.867  409.451   18.475 16.35553 26.40624 
1 1 1    5   24    4 o  445.534   12.689  258.925   14.644  260.012   21.198  257.932   20.253  444.733   18.402  443.215   17.641 1.517517 25.49181 
1 1 1    5   24    5 o  363.228   13.395  172.277   12.603  163.912   18.364  179.726   17.328  351.921   20.230  369.758   18.092 -17.83762 27.14012 
1 1 1    5   24    6 o  294.057   15.728  113.616   11.937  101.057   17.400  124.782   16.406  274.360   24.750  306.611   20.780 -32.25064 32.31633 
1 1 1    5   24    7 o   95.630   33.618   11.366   10.323   7.7753   15.261   14.395   14.017   97.945   39.351  108.170   39.047 -10.22497 55.43603 
1 1 1    5   24    8 o  137.688   30.774   26.683   10.700   38.252   16.240   17.809   14.223  162.539   39.058  115.549   39.519 46.99046 55.56366 
1 1 1    5   24    9 o  401.144   15.330  211.118   15.929  219.279   20.676  199.200   24.986  407.169   19.604  384.742   25.211 22.42743 31.93609 
1 1 1    5   24   10 o   55.999   26.924 -15.7567   11.432 -17.8698   15.477 -13.2200   16.958   67.310   32.080   75.537   35.244 -8.227348 47.65780 
1 1 1    5   24   11 o  193.554   23.681   50.916   11.625   61.732   17.295   42.002   15.701  209.140   33.022  170.169   36.699 38.97162 49.36861 
1 1 1    5   24   12 o  172.704   23.652   40.773   10.303   41.140   15.689   40.495   13.661  167.659   37.107  168.434   32.489 -0.7755737 49.31986 
1 1 1    5   24   13 o   84.023   33.164   6.6011   10.652   3.5886   15.839   9.0889   14.393   90.820   38.590   96.568   38.412 -5.748276 54.44910 
1 1 1    5   24   14 o  159.693   29.733   36.331   11.847   79.110   24.845   23.742   13.477  227.484   43.753  126.456   38.044 101.0279 57.97947 
1 1 1    5   24   15 o  111.003   41.589   16.258   16.150   28.120   22.565   3.8000   23.125  135.860   49.465  103.749   45.355 32.11093 67.11100 
1 1 1    5   24   16 o  225.884   23.594   70.283   13.601   47.516   16.181  125.100   25.108  178.110   36.304  293.785   33.598 -115.6747 49.46556 
1 1 1    5   24   17 o  165.176   27.507   38.912   11.355   32.710   18.082   42.950   14.591  142.441   44.302  169.617   34.386 -27.17603 56.08088 
1 1 1    5   24   18 o  120.536   33.479   21.920   10.826   34.926   16.130   11.259   14.604  148.040   40.768   98.073   38.793 49.96663 56.27532 
1 1 1    5   24   19 o  238.164   19.483   77.270   11.914   67.707   18.214   84.423   15.752  212.481   34.257  245.106   25.167 -32.62556 42.50819 
1 1 1    5   24   20 o  113.460   30.072   19.289   8.9806   39.186   14.679   7.3860   11.353  158.327   36.535   84.518   33.946 73.80931 49.87156 
1 1 1    5   24   21 o  130.545   25.884   24.792   8.4435   65.000   25.119   19.670   8.9652  188.944   50.396  114.130   29.949 74.81333 58.62321 
1 1 1    5   24   22 o   78.385   29.620   7.6629   8.2288 -20.9500   23.126   11.811   8.8050   78.490   37.877   90.213   31.084 -11.72269 48.99889 
1 1 1    5   24   23 o   69.094   26.917   5.2752   6.9398   18.650   21.631   3.7405   7.3271  110.581   45.912   66.266   27.032 44.31595 53.27889 
1 1 1    5   24   24 o  121.830   34.117   24.257   11.194   16.780   20.772   27.317   13.289  105.731   44.520  126.562   37.710 -20.83132 58.34448 
1 1 1    5   24   25 o  140.641   35.554   33.281   12.959   19.840   21.293   41.190   16.333  107.736   45.204  151.206   40.770 -43.47013 60.87379 
1 1 1    5   24   26 o   81.897   29.221   10.030   7.8269   19.410   21.056   8.5263   8.4310  104.989   44.548   78.439   29.899 26.54953 53.65168 
1 1 1    5   24   27 o  101.524   29.749   16.844   8.3276   19.680   19.888   16.241   9.1702  103.158   43.506   98.684   31.661 4.474106 53.80738 
1 1 1    5   24   28 o   80.020   28.969   9.8363   7.7233   9.1850   18.734   9.9696   8.4772   88.576   39.657   80.803   30.160 7.772682 49.82215 
1 1 1    5   24   29 o   71.821   26.616   7.4712   6.5787 -33.0300   18.847   13.091   7.0202   59.052   29.532   89.730   27.555 -30.67763 40.39030 
1 1 1    5   24   30 o   65.905   28.441   3.4760   8.8526   0.0000   0.0000   3.4760   8.8526  ?   ?    65.905   28.441 0.000000 28.44091 
1 1 1    5   24   31 o  146.929   22.823   33.124   8.4043   29.220   18.219   34.180   9.4725  109.278   43.295  146.060   25.989 -36.78148 50.49699 
1 1 1    5   24   32 o  109.901   28.216   20.792   8.0735   45.540   19.688   15.790   8.8520  129.767   46.340   92.565   31.179 37.20192 55.85300 
1 1 1    5   24   33 o   55.877   24.990   0.8951   7.4183  -9.2840   19.000   2.7259   8.0579   66.910   32.745   60.544   26.612 6.365543 42.19504 
1 1 1    5   24   34 o   60.248   26.697   2.8308   8.2682   9.1480   18.930   1.3415   9.1913   77.404   36.470   59.706   27.153 17.69788 45.46818 
1 1 1    5   24   35 o   43.988   21.454  -8.9274   7.9562 -20.9500   17.115  -5.6131   8.9861   56.029   28.038   50.109   24.033 5.919876 36.92889 
1 1 1    5   24   36 f   81.798   31.508   14.486   9.4254   27.520   20.598   11.035   10.600   87.648   40.160   74.017   31.513 13.63117 51.04808 
1 1 1    5   24   37 o   63.076   28.512   5.0082   9.9486   3.8060   18.929   5.4671   11.694   68.137   33.201   65.148   30.001 2.989204 44.74782 
1 1 1    5   24   38 o   47.986   22.917  -3.5141   7.9826   31.640   19.411 -10.6696   8.7574   86.828   39.477   43.468   21.460 43.35973 44.93285 
1 1 1    5   24   39 o   67.681   29.005   9.9336   9.0864   14.840   20.188   8.6871   10.175   70.168   34.212   65.483   29.278 4.685646 45.02962 
1 1 1    5   24   40 o   59.195   27.341   5.6090   9.8167 -15.2300   19.749   12.447   11.313   54.679   27.702   68.044   30.613 -13.36496 41.28611 
1 1 1    5   25    0 o  383.416   13.975  192.448   13.880  181.880   20.114  202.053   19.177  369.676   21.093  391.133   18.928 -21.45657 28.34049 
1 1 1    5   25    1 o  314.444   15.622  129.790   12.724  128.454   18.762  130.928   17.314  309.379   23.590  313.294   21.465 -3.914337 31.89385 
1 1 1    5   25    2 o  477.707   12.808  298.281   15.849  312.784   23.415  286.019   21.530  486.740   18.571  465.789   17.845 20.95120 25.75513 
1 1 1    5   25    3 o  345.643   14.453  156.574   12.940  152.768   19.389  159.632   17.377  338.024   22.269  346.855   19.419 -8.830658 29.54660 
1 1 1    5   25    4 o  174.915   24.123   41.655   10.639   56.086   16.192   30.691   14.113  199.981   32.363  145.440   37.286 54.54137 49.37252 
1 1 1    5   25    5 o  207.435   20.897   57.727   11.075   57.339   16.450   58.049   14.979  201.983   32.547  204.842   29.044 -2.858383 43.62163 
1 1 1    5   25    6 o  385.520   13.598  194.731   13.579  192.152   19.619  197.102   18.815  379.941   20.005  385.834   18.825 -5.893158 27.46996 
1 1 1    5   25    7 o  461.297   17.016  280.872   20.333   0.0000   0.0000  280.872   20.333  ?   ?   461.297   17.016 0.000000 17.01631 
1 1 1    5   25    8 o  124.514   33.047   22.370   10.836   21.613   16.512   22.943   14.360  123.746   42.572  125.699   39.544 -1.953011 58.10380 
1 1 1    5   25    9 o  160.188   27.469   35.904   10.988   29.450   16.050   41.597   15.074  140.082   41.371  168.890   35.580 -28.80832 54.56670 
1 1 1    5   25   10 o  183.720   27.885   47.238   12.853   50.994   16.483   41.410   20.532  187.100   35.305  162.453   46.455 24.64702 58.34837 
1 1 1    5   25   11 o  378.362   19.071  191.551   18.631  225.000   26.763  160.100   25.952  405.012   25.643  337.969   29.955 67.04282 39.43189 
1 1 1    5   25   12 o   85.550   36.517   3.0163   14.300   5.1810   22.601   1.5710   18.467  104.260   45.217   92.646   40.515 11.61429 60.71311 
1 1 1    5   25   13 o   87.998   38.188   2.1245   16.140   16.940   23.087 -12.0400   22.574  118.421   48.109   87.400   40.740 31.02074 63.04145 
1 1 1    5   25   14 o  239.824   19.502   77.903   12.010   78.866   17.415   77.030   16.585  235.163   29.220  233.226   28.013 1.936920 40.47835 
1 1 1    5   25   15 f  142.939   32.692   30.562   11.841   19.001   17.508   40.308   16.076  114.923   43.255  160.522   39.039 -45.59826 58.26675 
1 1 1    5   25   16 f   69.365   30.502  -0.4650   10.595  -1.2784   16.085   0.1585   14.082   82.327   36.810   79.497   35.053 2.829124 50.83030 
1 1 1    5   25   17 o  200.510   21.017   55.472   10.753   63.368   16.109   49.125   14.442  207.551   30.906  181.704   31.846 25.84656 44.37701 
1 1 1    5   25   18 o  121.899   33.037   22.861   10.692   25.489   16.560   20.982   14.002  124.609   42.642  115.402   39.212 9.207191 57.93035 
1 1 1    5   25   19 f   97.041   33.086   13.956   9.9689   24.201   14.719   5.2736   13.550  121.514   40.191   84.294   35.750 37.22012 53.78979 
1 1 1    5   25   20 o  120.621   31.350   22.505   9.8850   36.484   16.374   14.490   12.399  146.150   41.380   99.006   36.569 47.14369 55.22356 
1 1 1    5   25   21 o   98.485   32.962   14.987   9.8928   18.180   20.797   14.053   11.247  109.282   45.166   96.532   34.956 12.74961 57.11277 
1 1 1    5   25   22 o   76.068   29.190   7.2845   8.0696 -15.4900   22.824   10.538   8.6267   79.238   38.083   85.272   30.651 -6.034439 48.88535 
1 1 1    5   25   23 f   61.674   29.198  -8.8750   12.400   4.0010   22.941 -14.1900   14.739   92.328   42.333   63.159   30.417 29.16875 52.12774 
1 1 1    5   25   24 o   94.603   29.831   14.301   8.1675   38.970   23.339   10.859   8.7188  130.939   49.786   84.715   30.762 46.22443 58.52335 
1 1 1    5   25   25 o   84.846   28.006   11.268   7.1482   6.2410   22.014   11.860   7.5577   90.029   41.349   86.621   28.806 3.407845 50.39389 
1 1 1    5   25   26 o  124.263   25.871   24.061   8.0567   17.810   19.266   25.386   8.8695   98.853   42.295  125.990   27.912 -27.13681 50.67538 
1 1 1    5   25   27 o  146.528   22.493   32.187   8.2644   38.630   19.743   30.818   9.1000  127.856   46.312  140.242   26.008 -12.38642 53.11508 
1 1 1    5   25   28 o  100.328   27.885   16.698   7.5078  -4.0700   19.854   20.163   8.1100   75.801   36.184  110.208   28.271 -34.40672 45.91891 
1 1 1    5   25   29 o   73.066   29.191   7.6811   8.3465   0.0000   0.0000   7.6811   8.3465  ?   ?    73.066   29.191 0.000000 29.19110 
1 1 1    5   25   30 o   96.175   29.316   16.309   7.9645   27.820   19.841   14.098   8.6959  103.153   43.477   88.445   30.867 14.70731 53.31980 
1 1 1    5   25   31 o  112.021   28.589   22.028   8.3233   37.090   19.952   18.854   9.1583  112.340   45.044   99.683   31.605 12.65705 55.02547 
1 1 1    5   25   32 o   68.249   27.758   7.0968   7.6965   30.790   19.317   2.6260   8.3912  100.678   42.691   60.495   26.847 40.18290 50.43083 
1 1 1    5   25   33 o   51.047   23.540  -1.1364   7.2348 -10.2300   15.058   1.5929   8.2494   58.838   28.868   57.659   26.022 1.178608 38.86522 
1 1 1    5   25   34 o   51.738   24.216  -1.8428   8.1107   18.860   19.268  -6.3009   8.9415   81.616   37.908   48.909   23.589 32.70635 44.64855 
1 1 1    5   25   35 o   97.331   33.358   21.994   10.134   21.160   20.992   22.247   11.572   80.259   37.994   93.318   35.157 -13.05927 51.76432 
1 1 1    5   25   36 o   53.470   25.337  -1.5370   9.3801  -5.2170   17.694  -0.0987   11.062   61.272   30.297   57.681   27.385 3.590973 40.83933 
1 1 1    5   25   37 o   71.715   29.372   11.379   8.6938   25.820   20.858   8.3430   9.5642   78.442   37.346   65.777   28.951 12.66531 47.25305 
1 1 1    5   25   38 o   69.611   28.865   11.166   8.5344   11.770   20.537   11.040   9.3830   67.233   33.129   68.648   29.448 -1.415398 44.32524 
1 1 1    5   25   39 o   57.342   26.118   5.2466   8.5445  -3.6250   18.380   7.6923   9.6507   57.203   28.687   61.192   27.827 -3.989300 39.96636 
1 1 1    5   26    0 o  252.595   21.426   86.015   13.887  107.100   24.832   76.419   16.751  272.993   35.994  234.704   28.113 38.28915 45.67127 
1 1 1    5   26    1 o  190.603   26.569   50.325   12.761   32.830   21.287   60.139   15.943  146.214   48.332  206.520   30.741 -60.30612 57.27989 
1 1 1    5   26    2 o  337.566   17.803  151.523   15.512  149.000   28.539  152.580   18.479  323.460   34.599  336.882   21.286 -13.42224 40.62249 
1 1 1    5   26    3 o  310.340   18.925  128.632   15.141   94.250   28.463  142.200   17.880  247.847   46.029  325.029   21.356 -77.18199 50.74212 
1 1 1    5   26    4 o  289.081   19.973  112.137   14.865   58.820   26.312  137.129   18.015  189.963   51.969  318.676   21.958 -128.7132 56.41710 
1 1 1    5   26    5 o  270.690   19.065   98.166   13.282   74.850   23.070  109.726   16.245  222.871   41.488  284.605   22.211 -61.73328 47.05983 
1 1 1    5   26    6 o   81.220   34.050   3.5146   12.065   29.090   21.622  -8.0484   14.539  137.923   48.636   72.593   33.438 65.32996 59.02164 
1 1 1    5   26    7 o  117.999   42.535   19.686   16.625   16.240   23.892   22.920   23.147  119.606   48.805  128.191   49.377 -8.584877 69.42632 
1 1 1    5   26    8 o  206.051   30.206   60.565   15.643   97.300   26.027   39.790   19.573  253.099   41.110  157.719   45.434 95.37959 61.27243 
1 1 1    5   26    9 o   76.656   34.556  -3.7937   14.499   11.890   20.317 -20.0700   20.697  108.316   44.694   77.396   36.945 30.92002 57.98723 
1 1 1    5   26   10 o  136.760   35.532   28.350   12.701   27.332   15.442   30.480   22.334  132.336   40.904  137.485   49.328 -5.149414 64.08132 
1 1 1    5   26   11 o  132.596   36.459   26.991   12.912   40.116   17.085   9.5120   19.717  158.955   41.167  103.139   43.398 55.81595 59.81751 
1 1 1    5   26   12 o  211.330   25.293   62.790   13.570   71.480   18.522   52.720   19.939  219.421   33.663  180.351   43.241 39.06966 54.79943 
1 1 1    5   26   13 o  156.673   27.212   35.388   10.643   21.585   15.411   47.971   14.715  117.948   41.097  179.086   32.934 -61.13812 52.66470 
1 1 1    5   26   14 o  104.012   34.334   16.175   10.744   18.015   18.056   15.167   13.367  111.886   43.465  103.060   37.988 8.826035 57.72639 
1 1 1    5   26   15 o  161.584   28.042   38.149   11.311   50.293   17.314   29.105   14.941  177.568   38.732  133.457   40.035 44.11102 55.70456 
1 1 1    5   26   16 o  133.969   31.295   27.343   10.664   40.687   16.643   18.049   13.889  156.716   40.653  108.290   38.895 48.42635 56.26267 
1 1 1    5   26   17 o  135.977   29.316   27.847   10.022   25.424   16.574   29.244   12.583  122.547   42.624  135.265   35.474 -12.71793 55.45422 
1 1 1    5   26   18 o  120.869   30.922   22.642   9.7207   22.794   14.506   22.519   13.096  116.769   39.910  116.876   37.872 -0.1076431 55.01975 
1 1 1    5   26   19 o  165.001   24.862   39.674   10.296   58.693   15.798   25.631   13.575  194.174   32.563  122.871   38.414 71.30285 50.35838 
1 1 1    5   26   20 o  150.115   26.580   33.732   9.9572   28.335   15.508   37.518   12.988  125.444   41.242  152.394   33.789 -26.95001 53.31597 
1 1 1    5   26   21 o   91.311   36.345   12.109   12.893   31.490   22.032   2.0140   15.901  123.247   47.976   80.632   36.283 42.61502 60.15094 
1 1 1    5   26   22 f  105.417   30.023   17.993   8.5937   23.930   20.620   16.745   9.4539  110.568   45.254  100.648   32.132 9.920135 55.50136 
1 1 1    5   26   23 o   68.750   27.253   5.6787   7.2221   8.7110   20.234   5.2360   7.7313   90.505   40.809   68.681   27.862 21.82381 49.41311 
1 1 1    5   26   24 o   91.787   28.210   13.686   7.3565   24.900   20.962   12.111   7.8562  107.343   44.934   86.494   29.372 20.84878 53.68222 
1 1 1    5   26   25 o  151.912   21.069   34.074   8.0676   39.090   20.078   33.108   8.8100  127.363   46.616  147.231   23.922 -19.86774 52.39586 
1 1 1    5   26   26 o  133.815   23.942   27.673   7.9942   34.370   19.928   26.388   8.7271  117.501   45.659  127.575   27.238 -10.07319 53.16585 
1 1 1    5   26   27 o   83.252   30.130   11.757   8.3541   0.0000   0.0000   11.757   8.3541  ?   ?    83.252   30.130 0.000000 30.13011 
1 1 1    5   26   28 o   49.143   23.385  -6.1095   8.1566   0.0000   0.0000  -6.1095   8.1566  ?   ?    49.143   23.385 0.000000 23.38486 
1 1 1    5   26   29 o   65.169   27.118   5.2763   7.5708   20.890   18.747   2.2337   8.2756   92.951   40.730   60.630   26.796 32.32135 48.75430 
1 1 1    5   26   30 o   45.753   21.975  -6.6821   7.5726  -3.9540   16.731  -7.3850   8.4921   66.986   32.298   47.933   23.085 19.05317 39.69983 
1 1 1    5   26   31 o   48.815   22.925  -3.1453   7.3742 -30.2900   15.205   5.2028   8.4323   49.476   24.976   64.371   27.768 -14.89462 37.34821 
1 1 1    5   26   32 o   67.439   27.899   7.5113   7.9460   4.6770   18.677   8.1376   8.7802   71.161   34.264   69.141   29.020 2.020332 44.90148 
1 1 1    5   26   33 o   74.126   28.878   10.906   7.9878  -1.6970   19.891   13.329   8.7219   66.359   32.680   79.269   30.364 -12.90989 44.60932 
1 1 1    5   26   34 o   49.927   24.199  -5.9163   9.7008   13.820   19.961 -12.0191   11.100   73.571   35.423   48.312   23.908 25.25949 42.73642 
1 1 1    5   26   35 o   76.833   29.909   13.384   8.5629   15.130   16.252   12.713   10.075   73.338   34.311   73.548   30.989 -0.2103653 46.23395 
1 1 1    5   26   36 o   75.941   29.175   13.289   8.0669  -8.9850   20.494   17.373   8.7753   59.190   29.767   84.541   30.837 -25.35143 42.85984 
1 1 1    5   26   37 o   70.344   28.249   11.583   7.8607   0.2870   20.609   13.506   8.5036   60.855   30.499   73.626   29.447 -12.77102 42.39442 
1 1 1    5   26   38 o   45.238   21.827  -3.0195   7.6723 -36.6900   18.442   4.0279   8.4371   46.433   23.798   54.805   25.325 -8.372410 34.75201 
1 1 1    5   27    0 o  239.662   20.384   77.994   12.534   72.315   18.868   82.480   16.769  222.126   33.863  242.301   27.187 -20.17433 43.42643 
1 1 1    5   27    1 f  151.779   29.495   33.313   11.178   48.667   17.593   22.917   14.476  177.898   39.233  122.727   39.823 55.17042 55.90233 
1 1 1    5   27    2 o  104.719   34.356   15.856   10.763   24.963   15.778   7.9284   14.721  127.121   41.590   93.331   38.222 33.79061 56.48604 
1 1 1    5   27    3 o  191.167   25.118   51.104   12.137   65.438   18.192   39.606   16.293  210.307   34.597  159.554   39.606 50.75371 52.58914 
1 1 1    5   27    4 o  268.103   18.132   96.731   12.518   91.838   19.419  100.210   16.374  253.041   30.224  269.388   23.707 -16.34734 38.41243 
1 1 1    5   27    5 o  163.785   27.561   38.375   11.278   49.965   17.042   29.345   15.042  180.650   37.641  136.636   39.967 44.01419 54.90144 
1 1 1    5   27    6 o  286.582   17.089  110.206   12.628  117.552   18.964  104.354   16.927  289.986   25.506  274.221   24.073 15.76465 35.07287 
1 1 1    5   27    7 o  205.205   22.428   58.274   11.727   47.575   18.154   65.935   15.363  172.686   41.167  214.521   28.341 -41.83560 49.97868 
1 1 1    5   27    8 o  213.451   21.795   62.919   11.882   45.176   18.323   75.795   15.608  166.611   42.361  231.144   26.551 -64.53297 49.99419 
1 1 1    5   27    9 o  310.429   15.490  128.572   12.456  116.300   18.570  138.608   16.794  287.583   25.182  318.306   20.477 -30.72278 32.45688 
1 1 1    5   27   10 o  241.232   19.483   79.541   12.070   82.876   17.770   76.683   16.447  238.682   29.361  230.522   28.127 8.160431 40.65945 
1 1 1    5   27   11 o  203.087   26.519   59.203   13.617   50.048   17.823   72.040   21.106  175.929   40.014  212.369   39.831 -36.44008 56.45925 
1 1 1    5   27   12 o  259.652   20.547   93.014   13.707  104.657   17.808   76.090   21.471  270.990   25.675  217.983   39.480 53.00708 47.09417 
1 1 1    5   27   13 o  179.927   24.528   46.265   11.134   10.620   17.241   71.762   14.582   97.793   40.828  223.695   25.628 -125.9021 48.20466 
1 1 1    5   27   14 o  180.945   24.041   46.800   10.989   42.493   18.020   49.349   13.865  156.495   43.088  180.850   30.695 -24.35504 52.90337 
1 1 1    5   27   15 o  129.048   30.962   25.775   10.218   1.1789   16.328   41.605   13.099   82.957   37.090  164.192   31.949 -81.23472 48.95344 
1 1 1    5   27   16 o  124.182   32.585   24.529   10.613   31.309   16.816   20.040   13.682  131.944   42.926  110.008   38.700 21.93563 57.79543 
1 1 1    5   27   17 o   75.868   30.536   6.3308   9.2074  -9.9586   13.996   18.759   12.225   65.365   30.966  106.588   36.633 -41.22270 47.96758 
1 1 1    5   27   18 o  160.942   28.912   39.842   11.610   16.710   24.292   46.690   13.217  105.706   46.341  172.870   30.638 -67.16396 55.55345 
1 1 1    5   27   19 o   92.905   36.836   13.154   13.197 -15.7300   22.017   29.350   16.486   75.881   36.700  123.554   42.536 -47.67316 56.18022 
1 1 1    5   27   20 o   84.695   32.672   10.657   10.147   9.5113   13.092   12.380   16.056   85.345   35.600   92.372   39.031 -7.027145 52.82803 
1 1 1    5   27   21 o   79.898   30.192   9.4946   8.5499  -6.6043   13.030   21.666   11.330   63.904   30.155  110.094   35.179 -46.19014 46.33429 
1 1 1    5   27   22 o   71.810   30.820   4.7951   10.287 -27.5300   20.950   15.065   11.809   65.352   32.429   92.874   35.389 -27.52261 48.00026 
1 1 1    5   27   23 o   73.376   28.198   7.8043   7.5366   25.510   20.619   5.0740   8.0969  105.318   44.351   67.761   28.108 37.55725 52.50802 
1 1 1    5   27   24 o   95.988   28.751   15.650   7.7100   18.400   18.715   15.088   8.4614   95.181   41.213   93.062   30.458 2.118874 51.24624 
1 1 1    5   27   25 o   44.805   21.542  -7.5961   7.3188 -17.1700   16.934  -5.3969   8.1160   61.709   30.344   50.086   23.684 11.62244 38.49305 
1 1 1    5   27   26 o   46.718   22.496  -7.9805   8.0531   0.0000   0.0000  -7.9805   8.0531  ?   ?    46.718   22.496 0.000000 22.49562 
1 1 1    5   27   27 o   56.761   25.294   1.0403   7.5263   12.730   15.574  -2.5214   8.5968   83.323   36.795   54.306   25.256 29.01693 44.62921 
1 1 1    5   27   28 o   42.827   20.821  -8.7330   7.3301  -0.1962   17.642 -10.5142   8.0586   70.775   33.873   43.656   21.356 27.11831 40.04353 
1 1 1    5   27   29 o   47.604   22.700  -5.1869   7.7695 -31.4300   16.935   1.8096   8.7441   52.235   26.368   59.338   26.785 -7.102997 37.58592 
1 1 1    5   27   30 o   62.123   27.005   4.7100   8.0987  -7.9600   18.752   7.6153   8.9793   63.950   31.539   68.397   29.060 -4.447666 42.88575 
1 1 1    5   27   31 o   76.030   28.882   11.553   7.8504   32.230   19.751   7.6735   8.5552   92.118   41.018   67.055   28.421 25.06245 49.90212 
1 1 1    5   27   32 o   77.397   29.581   12.840   8.2659   20.980   20.289   11.219   9.0512   78.577   37.242   72.862   29.920 5.715218 47.77236 
1 1 1    5   27   33 o   66.821   30.094   8.6120   10.965   15.030   18.890   5.3500   13.467   72.585   34.822   64.203   30.404 8.381798 46.22731 
1 1 1    5   27   34 o   63.579   27.583   7.6046   8.4156   7.9010   19.371   7.5357   9.3433   66.416   32.618   63.672   28.289 2.744358 43.17622 
1 1 1    5   27   35 o   66.938   28.284   10.064   8.4317  -4.4800   20.298   13.096   9.2693   59.465   29.867   72.053   29.997 -12.58779 42.32978 
1 1 1    5   27   36 f   67.095   28.531   11.147   8.6700   4.9340   20.866   12.444   9.5317   61.273   30.705   68.495   29.535 -7.221973 42.60450 
1 1 1    5   27   37 o   44.594   21.528  -2.7398   7.4873  -6.0080   15.761  -1.7873   8.5087   52.599   26.404   47.437   22.912 5.162151 34.95942 
1 1 1    5   28    0 o   78.917   32.608   5.0598   10.836   20.095   16.477  -6.3975   14.384  114.349   42.172   71.929   33.177 42.42017 53.65842 
1 1 1    5   28    1 o   55.551   26.715 -13.8249   11.272 -17.5078   17.510 -11.2189   14.729   70.086   33.597   68.131   32.122 1.955460 46.48183 
1 1 1    5   28    2 o   70.223   31.151  -0.9129   11.286   4.3396   17.193  -4.8897   14.960   90.457   39.334   74.930   34.293 15.52624 52.18449 
1 1 1    5   28    3 o  148.578   29.299   32.670   10.875   42.380   16.569   25.319   14.416  161.771   39.811  125.198   39.647 36.57291 56.18552 
1 1 1    5   28    4 o  115.071   34.551   20.549   11.124   15.470   17.478   24.008   14.423  106.482   42.337  121.990   39.758 -15.50741 58.07849 
1 1 1    5   28    5 o  154.335   29.692   35.418   11.439   24.491   17.988   42.838   14.822  122.031   44.205  165.683   35.598 -43.65208 56.75658 
1 1 1    5   28    6 o   67.904   30.141  -0.9088   10.582   12.994   16.072 -11.5477   14.060  100.590   40.394   65.663   31.087 34.92708 50.97101 
1 1 1    5   28    7 o  258.366   18.959   91.393   12.599   96.321   19.333   87.754   16.611  255.644   29.752  247.101   26.360 8.543091 39.74955 
1 1 1    5   28    8 o  202.718   22.847   57.922   11.788   60.424   17.822   55.976   15.717  195.734   36.494  191.465   32.874 4.269287 49.11720 
1 1 1    5   28    9 o  141.268   30.740   30.425   10.929   31.391   16.521   29.673   14.573  134.914   42.411  133.331   39.435 1.582840 57.91210 
1 1 1    5   28   10 o   87.854   33.584   10.232   10.656   15.481   16.565   6.5272   13.917  103.624   41.212   86.063   36.350 17.56070 54.95242 
1 1 1    5   28   11 o  164.819   26.528   39.927   10.941   44.347   16.641   36.561   14.521  162.204   39.886  148.765   37.650 13.43915 54.84886 
1 1 1    5   28   12 o   73.725   32.301   1.6584   11.786 -32.5476   16.508   37.230   16.834   57.217   28.458  144.954   42.246 -87.73701 50.93668 
1 1 1    5   28   13 o  192.415   25.847   54.385   12.557   77.921   17.912   31.640   17.608  224.528   31.677  130.886   43.975 93.64223 54.19656 
1 1 1    5   28   14 o  205.636   21.367   60.050   11.215   71.143   17.598   52.463   14.554  211.972   33.135  182.840   31.890 29.13225 45.98777 
1 1 1    5   28   15 o   90.796   33.273   12.611   10.234   0.9299   15.860   20.945   13.396   79.591   35.986  109.868   38.313 -30.27670 52.56345 
1 1 1    5   28   16 o   49.551   24.184 -14.7417   10.162 -57.5100   24.403  -5.7687   11.178   62.232   31.442   61.139   28.555 1.092136 42.47404 
1 1 1    5   28   17 o   67.783   31.610  -4.7493   13.613   0.1703   21.999  -7.8020   17.329   85.760   40.057   72.525   34.387 13.23472 52.79198 
1 1 1    5   28   18 o   73.200   31.132   5.0693   10.325   16.915   13.287 -12.9900   16.406   97.980   37.490   66.119   31.906 31.86075 49.22884 
1 1 1    5   28   19 o   96.385   31.167   15.749   8.8730   5.8992   13.385   23.470   11.851   78.508   34.409  112.889   35.969 -34.38107 49.77680 
1 1 1    5   28   20 o   98.197   31.425   16.738   9.0381   17.071   12.990   16.425   12.583   95.874   36.972   94.708   36.426 1.165909 51.90154 
1 1 1    5   28   21 o   51.536   23.995  -3.7194   7.7958  -5.4244   11.022  -2.0128   11.028   58.796   27.741   62.595   28.934 -3.798370 40.08440 
1 1 1    5   28   22 o   88.619   33.408   14.231   10.452   15.600   20.595   13.756   12.131   91.126   41.122   87.356   35.088 3.769997 54.05758 
1 1 1    5   28   23 o   87.151   29.246   13.244   7.7881   2.4930   20.465   15.065   8.4218   78.620   37.304   91.756   30.404 -13.13582 48.12415 
1 1 1    5   28   24 o   56.409   25.868  -1.1158   8.5706   0.0000   0.0000  -1.1158   8.5706  ?   ?    56.409   25.868 0.000000 25.86802 
1 1 1    5   28   25 o   69.368   30.046   5.9005   9.9542   0.0000   0.0000   5.9005   9.9542  ?   ?    69.368   30.046 0.000000 30.04649 
1 1 1    5   28   26 o   64.263   26.525   5.5592   7.1592 -15.7500   19.079   9.0512   7.7235   62.953   31.187   73.160   28.426 -10.20661 42.19794 
1 1 1    5   28   27 o   40.183   19.908 -13.1404   7.7768  -9.5110   17.977 -13.9759   8.6256   63.649   31.292   42.290   20.954 21.35853 37.65946 
1 1 1    5   28   28 o   69.987   28.369   8.5840   8.0078   9.8410   18.880   8.3083   8.8426   75.182   35.718   69.658   29.174 5.523972 46.11808 
1 1 1    5   28   29 o   46.670   22.448  -5.5336   7.9674 -11.8000   19.034  -4.2024   8.7730   60.909   30.337   50.159   23.974 10.75022 38.66643 
1 1 1    5   28   30 o   76.239   28.847   12.150   7.8113   11.410   19.711   12.287   8.5078   72.006   34.801   75.635   29.707 -3.629166 45.75600 
1 1 1    5   28   31 o   45.582   21.941  -4.6986   7.6460   6.8270   18.956  -6.9382   8.3559   67.198   32.847   45.251   22.051 21.94717 39.56271 
1 1 1    5   28   32 o   60.430   28.469   4.1325   11.528  -1.5510   16.838   9.1480   15.817   60.103   29.688   66.499   31.892 -6.396580 43.57118 
1 1 1    5   28   33 o   78.292   29.960   15.174   8.4858   10.800   19.280   16.225   9.4504   66.080   32.470   78.265   31.127 -12.18529 44.98033 
1 1 1    5   28   34 o   66.096   27.766   10.170   8.0497 -19.0300   20.462   15.516   8.7556   53.528   27.228   76.545   30.113 -23.01691 40.59774 
1 1 1    5   28   35 o   64.396   28.087   10.560   8.8232   11.410   20.255   10.361   9.8020   62.050   30.967   63.367   28.503 -1.317039 42.08816 
1 1 1    5   28   36 o   43.825   21.502  -4.7028   8.3528  -0.2180   17.630  -6.0009   9.4849   54.670   27.509   44.809   22.161 9.861568 35.32502 
1 1 1    5   29    0 o   56.782   26.844  -8.8801   10.414  -8.3438   16.266  -9.2525   13.556   73.151   34.256   65.679   30.920 7.472122 46.14706 
1 1 1    5   29    1 o   95.907   34.232   13.760   10.742   13.692   15.458   13.824   14.939   99.365   39.716   99.149   39.230 0.2157974 55.82416 
1 1 1    5   29    2 o   91.475   34.155   11.856   10.874  -4.8119   16.340   25.104   14.568   76.577   35.335  121.747   39.970 -45.16969 53.34962 
1 1 1    5   29    3 o  114.553   34.303   21.029   10.976   1.7217   15.711   39.438   15.341   82.349   36.631  153.823   38.571 -71.47425 53.19371 
1 1 1    5   29    4 o  161.467   28.091   38.936   11.322   34.815   16.889   42.301   15.260  140.171   42.681  160.463   37.403 -20.29132 56.75104 
1 1 1    5   29    5 o  134.360   32.108   28.359   11.022   4.1065   16.849   46.503   14.573   86.908   38.330  171.524   34.001 -84.61568 51.23788 
1 1 1    5   29    6 o  209.194   20.815   61.438   11.130   72.185   16.560   52.586   15.030  218.307   30.084  183.482   32.829 34.82484 44.52854 
1 1 1    5   29    7 f  103.602   34.843   17.191   11.054   11.756   17.419   20.856   14.304   97.034   40.808  111.320   39.525 -14.28631 56.81170 
1 1 1    5   29    8 o  193.087   23.469   53.728   11.497   36.371   16.987   68.396   15.616  141.457   42.746  212.673   29.112 -71.21597 51.71779 
1 1 1    5   29    9 o  170.813   26.452   43.424   11.326   61.049   16.953   29.216   15.221  194.354   34.959  127.797   40.768 66.55730 53.70462 
1 1 1    5   29   10 o  161.058   26.205   38.745   10.557   39.318   16.954   38.381   13.491  146.327   42.324  152.651   34.882 -6.324097 54.84554 
1 1 1    5   29   11 o   62.261   28.091  -1.5475   9.6046  -7.5222   14.086   3.6434   13.130   67.143   31.582   77.954   34.125 -10.81117 46.49627 
1 1 1    5   29   12 o  114.481   33.569   21.960   10.600   41.802   17.731   10.923   13.224  147.557   43.458   89.004   36.313 58.55227 56.63192 
1 1 1    5   29   13 o   85.862   36.128   9.1539   13.664 -45.7300   22.820   39.830   17.060   63.014   31.652  143.507   42.719 -80.49308 53.16744 
1 1 1    5   29   14 o   85.100   35.812   9.3084   13.428   15.170   25.027   6.9390   15.912  100.086   45.233   84.605   37.285 15.48127 58.61966 
1 1 1    5   29   15 o   84.081   33.213   10.605   10.692   16.714   14.190   2.5830   16.261   97.169   38.301   79.160   36.045 18.00864 52.59529 
1 1 1    5   29   16 o  153.641   25.624   36.529   9.8386   57.874   16.292   24.277   12.343  180.716   36.067  113.728   36.759 66.98856 51.49836 
1 1 1    5   29   17 o   76.003   30.142   8.2741   8.8387   2.7676   12.998   13.011   12.055   72.840   32.788   87.861   35.089 -15.02136 48.02390 
1 1 1    5   29   18 o  119.346   31.156   24.806   9.7350   28.022   14.520   22.180   13.121  115.206   39.905  104.972   37.793 10.23337 54.96101 
1 1 1    5   29   19 o   86.280   31.405   13.046   9.0949   19.070   13.450   7.9703   12.345   96.941   37.554   77.599   33.536 19.34199 50.34874 
1 1 1    5   29   20 o  183.661   20.097   50.148   9.4048   48.150   14.014   51.786   12.686  161.224   34.593  175.576   28.899 -14.35190 45.07566 
1 1 1    5   29   21 f   84.145   31.071   12.769   8.9496   11.280   13.251   14.018   12.136   81.441   34.967   85.837   34.877 -4.396141 49.38736 
1 1 1    5   29   22 o   63.281   27.985   2.9832   9.0410   39.360   15.246 -16.7475   11.228  131.073   40.666   48.586   24.044 82.48647 47.24183 
1 1 1    5   29   23 o   52.365   26.249 -25.9500   15.299   0.0000   0.0000 -25.9500   15.299  ?   ?    52.365   26.249 0.000000 26.24887 
1 1 1    5   29   24 o   44.925   21.913  -9.7022   8.3068 -31.7300   17.320  -3.1218   9.4666   53.101   26.788   54.792   25.808 -1.691574 37.19747 
1 1 1    5   29   25 o   64.751   27.016   6.0420   7.5425 -11.1000   17.800   9.7933   8.3270   62.164   30.672   73.619   29.238 -11.45470 42.37468 
1 1 1    5   29   26 o   84.530   30.115   14.550   8.3102   21.470   19.052   12.923   9.2350   84.484   38.678   79.108   30.986 5.376122 49.55976 
1 1 1    5   29   27 o   58.228   26.235   2.8846   8.3438 -32.1400   18.895   11.368   9.2996   52.912   26.838   74.156   30.376 -21.24405 40.53317 
1 1 1    5   29   28 o   64.620   27.498   7.2607   8.0636   36.210   19.527   1.3094   8.8537   92.491   41.005   55.879   25.864 36.61155 48.47998 
1 1 1    5   29   29 o   59.652   26.151   5.3038   7.7356 -30.3900   18.767   12.610   8.4905   51.415   26.145   74.657   29.563 -23.24282 39.46616 
1 1 1    5   29   30 o   62.134   27.691   6.9120   9.0231 -14.5200   17.137   15.133   10.613   54.054   27.189   75.089   31.731 -21.03508 41.78659 
1 1 1    5   29   31 f   62.190   28.248   7.5281   9.9086   29.540   18.614  -1.1759   11.705   78.595   36.755   54.509   26.457 24.08579 45.28647 
1 1 1    5   29   32 o   92.915   30.838   21.682   8.6628   0.8856   20.207   26.365   9.5887   59.777   29.992  100.675   32.384 -40.89772 44.13898 
1 1 1    5   29   33 o   45.994   22.306  -3.2558   8.2763   14.270   20.167  -6.8055   9.0758   63.455   31.543   44.548   21.965 18.90677 38.43742 
1 1 1    5   29   34 o   50.818   24.054   2.0981   8.4081  -4.1480   19.631   3.5013   9.3047   54.423   27.577   53.175   25.208 1.247982 37.36222 
1 1 1    5   29   35 o   50.436   23.932   2.9434   8.4256   13.490   17.137  -0.4188   9.6759   58.826   29.214   48.356   23.600 10.47003 37.55568 
1 1 1    5   30    0 o   66.763   29.926  -0.5615   10.702   0.5785   15.816  -1.5244   14.535   79.130   35.842   74.370   33.947 4.760551 49.36704 
1 1 1    5   30    1 o  202.977   21.520   58.877   11.142   47.189   15.892   70.177   15.625  166.145   37.781  214.208   28.899 -48.06302 47.56599 
1 1 1    5   30    2 o  146.310   29.447   33.349   10.774   29.116   15.950   36.901   14.611  125.086   41.855  145.469   38.262 -20.38310 56.70830 
1 1 1    5   30    3 f  307.533   16.457  129.703   13.062  128.039   19.057  131.178   17.940  294.870   25.192  301.254   23.167 -6.384735 34.22521 
1 1 1    5   30    4 o  166.164   25.661   41.261   10.689   48.092   15.332   34.801   14.910  169.208   36.083  139.253   39.507 29.95468 53.50514 
1 1 1    5   30    5 o   82.496   33.064   8.8587   10.746 -16.4619   16.647   26.947   14.070   65.577   31.763  122.018   39.226 -56.44105 50.47359 
1 1 1    5   30    6 o   85.456   32.808   10.633   10.196   34.205   15.499  -7.3550   13.539  135.660   40.794   65.569   30.878 70.09177 51.16215 
1 1 1    5   30    7 o   70.481   30.442   3.1402   10.160  -5.4220   15.706   9.3019   13.323   71.871   33.658   85.891   35.878 -14.01997 49.19450 
1 1 1    5   30    8 o  119.046   36.058   24.987   12.077   41.170   24.822   19.968   13.824  130.983   50.940  105.409   38.665 25.57430 63.95211 
1 1 1    5   30    9 o  144.995   31.184   34.295   11.364   21.220   21.900   39.114   13.295  105.597   45.135  151.407   34.648 -45.81001 56.90059 
1 1 1    5   30   10 o   78.893   34.767   5.0095   13.833   19.390   23.278  -2.8420   17.200  102.666   45.177   75.684   35.373 26.98155 57.37798 
1 1 1    5   30   11 o  207.615   25.802   66.019   13.577   73.986   17.887   55.190   20.854  208.499   34.313  159.088   47.202 49.41158 58.35594 
1 1 1    5   30   12 o   77.318   32.954   6.8429   11.614   6.0379   15.508   7.8710   17.526   81.104   36.213   85.289   38.259 -4.184853 52.67936 
1 1 1    5   30   13 o   74.608   33.824   2.7127   14.121   2.7127   14.121   0.0000   0.0000   74.608   33.824  ?   ?  0.000000 33.82420 
1 1 1    5   30   14 o   58.105   27.344  -5.1041   10.584 -17.3608   14.216   10.140   15.854   56.938   27.959   84.703   37.278 -27.76468 46.59742 
1 1 1    5   30   15 o   71.295   31.181   4.8130   10.940  -1.6559   14.408   13.620   16.812   69.101   32.322   88.491   38.679 -19.39018 50.40567 
1 1 1    5   30   16 o  119.953   29.486   24.799   9.0968   21.530   14.391   26.974   11.740  100.019   38.818  117.457   35.545 -17.43843 52.63359 
1 1 1    5   30   17 o  212.972   19.555   67.077   10.667   55.835   15.631   76.877   14.594  170.290   36.531  217.560   26.440 -47.27055 45.09509 
1 1 1    5   30   18 o   94.529   30.249   16.347   8.3746   27.214   11.887   5.6365   11.801  115.149   35.937   71.727   31.834 43.42242 48.00922 
1 1 1    5   30   19 o   64.012   28.106   3.6227   8.9668   21.922   14.051  -8.9492   11.647   97.317   38.192   55.137   26.673 42.18020 46.58381 
1 1 1    5   30   20 f   51.935   24.861  -6.3191   9.5144  -8.2980   16.431  -5.3208   11.670   63.771   31.042   57.915   27.673 5.855247 41.58607 
1 1 1    5   30   21 o   70.293   30.155   7.2914   9.8395   7.5410   11.914   6.7560   17.449   72.342   32.053   75.202   35.301 -2.859634 47.68139 
1 1 1    5   30   22 o  114.453   31.766   25.838   9.7502   27.518   11.701   22.020   17.637  110.967   35.781   89.121   39.266 21.84663 53.12371 
1 1 1    5   30   23 o   72.914   30.495   9.7743   9.6427   3.0880   16.608   13.174   11.843   69.202   33.051   78.654   33.394 -9.452469 46.98394 
1 1 1    5   30   24 o   42.127   20.512  -7.8418   7.1863   28.460   15.906 -17.1529   8.0554   95.622   39.508   37.799   18.961 57.82343 43.82240 
1 1 1    5   30   25 o   79.715   29.705   13.494   8.2167  -0.1228   16.509   17.978   9.4735   64.032   31.157   88.409   32.072 -24.37718 44.71439 
1 1 1    5   30   26 o   61.918   26.977   6.0452   8.1193  -0.3960   16.470   8.1131   9.3320   62.349   30.507   66.115   28.860 -3.765450 41.99506 
1 1 1    5   30   27 o   58.253   25.658   4.8505   7.5243 -16.0900   16.679   10.201   8.4309   53.522   26.908   68.869   28.634 -15.34668 39.29308 
1 1 1    5   30   28 o   71.346   29.094   12.023   8.4835   15.660   17.263   10.865   9.7409   69.948   33.486   67.963   29.580 1.985420 44.67956 
1 1 1    5   30   29 o   58.247   28.173   2.7902   12.979   1.6440   19.046   3.7840   17.734   60.455   30.148   61.025   30.203 -0.5706749 42.67461 
1 1 1    5   30   30 o   67.426   29.809   12.486   10.249   19.330   19.463   9.8596   12.056   67.653   33.115   63.172   29.554 4.481167 44.38550 
1 1 1    5   30   31 o   40.828   20.262  -9.1201   8.1903 -16.4600   20.204  -7.6768   8.9594   52.440   26.711   43.538   21.534 8.901997 34.31028 
1 1 1    5   30   32 o   52.489   24.635   3.4791   8.4928   0.0529   20.661   4.1757   9.3163   55.971   28.354   53.862   25.441 2.109241 38.09407 
1 1 1    5   30   33 o   48.551   22.998   1.8085   7.7157   11.060   19.948   0.1810   8.3669   57.544   28.994   47.533   22.898 10.01152 36.94558 
1 1 1    5   30   34 o   40.658   20.207  -6.5328   8.2610 -17.8600   16.716  -2.8726   9.5024   45.648   23.339   45.117   22.289 0.5306244 32.27245 
1 1 1    5   31    0 o  102.351   39.926   19.773   15.284 -18.1100   22.824   50.570   20.579   73.561   35.976  151.337   47.294 -77.77641 59.42185 
1 1 1    5   31    1 o   93.353   38.265   14.531   14.770   11.360   22.299   17.010   19.715   93.501   42.434   98.321   42.436 -4.820717 60.01266 
1 1 1    5   31    2 o  161.340   37.928   47.358   15.584   62.430   24.481   37.090   20.206  160.146   51.768  127.112   46.728 33.03448 69.73855 
1 1 1    5   31    3 o  125.812   40.448   31.339   14.960   20.950   22.367   39.750   20.124  102.763   44.773  131.544   46.864 -28.78075 64.81410 
1 1 1    5   31    4 o   88.747   37.437   11.953   14.732 -16.9300   22.613   33.250   19.418   73.418   35.886  121.009   45.551 -47.59087 57.98863 
1 1 1    5   31    5 o  170.095   31.541   48.138   13.385   61.481   17.978   31.540   20.051  181.686   39.340  116.819   45.686 64.86661 60.28939 
1 1 1    5   31    6 o  244.402   22.022   88.272   13.792   61.209   17.864  128.200   21.699  180.740   39.279  280.019   30.404 -99.27914 49.67182 
1 1 1    5   31    7 o  213.438   24.913   69.960   13.514   61.644   18.016   80.660   20.436  179.957   39.713  207.145   39.529 -27.18864 56.03286 
1 1 1    5   31    8 o   79.815   31.342   9.8137   9.4682  -3.0478   14.566   19.224   12.460   68.996   32.344  100.193   36.714 -31.19688 48.92942 
1 1 1    5   31    9 o   78.657   31.501   9.3749   9.7456   5.3757   15.165   12.188   12.720   78.212   35.292   85.745   35.370 -7.532227 49.96553 
1 1 1    5   31   10 o  123.864   29.848   26.201   9.4637   17.504   13.610   34.343   13.168   94.518   37.429  133.156   36.902 -38.63747 52.56125 
1 1 1    5   31   11 o   81.653   31.111   11.250   9.1259   14.466   14.024   8.8876   12.019   88.417   36.860   78.578   33.508 9.839592 49.81396 
1 1 1    5   31   12 o  174.040   21.692   45.966   9.5669   49.228   13.770   42.922   13.302  164.990   33.366  151.887   34.584 13.10342 48.05555 
1 1 1    5   31   13 o   57.633   26.473  -1.1509   9.0273 -10.0713   13.992   5.2098   11.815   59.948   29.057   71.630   31.819 -11.68219 43.09060 
1 1 1    5   31   14 o   97.955   31.542   18.079   9.0951   9.2914   13.292   25.816   12.472   78.043   34.245  109.758   37.010 -31.71518 50.42218 
1 1 1    5   31   15 o  164.287   26.193   44.645   10.772   59.408   14.918   28.560   15.571  178.237   33.542  106.792   40.651 71.44567 52.70272 
1 1 1    5   31   16 o   88.798   32.274   15.579   9.5997   12.242   13.522   18.970   13.631   80.699   34.987   91.341   37.016 -10.64209 50.93415 
1 1 1    5   31   17 o  121.635   29.734   27.034   9.2897   24.931   13.625   28.860   12.699  101.436   38.162  112.743   37.333 -11.30670 53.38612 
1 1 1    5   31   18 o  161.483   28.061   45.725   11.312   66.310   19.094   34.593   14.041  161.970   44.253  119.593   39.239 42.37630 59.14450 
1 1 1    5   31   19 o  180.540   26.170   55.770   11.882   51.550   14.552   64.210   20.581  155.398   36.732  145.283   47.499 10.11554 60.04505 
1 1 1    5   31   20 o  144.266   28.912   38.194   10.428   39.700   12.491   34.730   18.941  136.283   35.153  100.550   42.435 35.73270 55.10392 
1 1 1    5   31   21 o  103.177   29.806   21.141   8.4128   21.796   12.140   20.536   11.669   92.553   35.728   91.021   35.058 1.531792 50.05573 
1 1 1    5   31   22 o  122.819   26.821   27.619   8.2937   38.955   11.600   15.766   11.862  135.261   33.326   80.028   33.667 55.23360 47.37167 
1 1 1    5   31   23 o   51.929   23.599   1.1228   6.9264  -0.3616   9.1540   3.1109   10.594   54.296   25.513   60.434   28.083 -6.138302 37.94154 
1 1 1    5   31   24 o  103.355   28.397   21.783   7.8365   28.530   17.354   20.055   8.7830   84.897   38.077   93.259   31.056 -8.361732 49.13611 
1 1 1    5   31   25 o   89.313   29.629   18.165   7.9973   32.520   17.280   14.252   9.0216   86.549   38.462   75.916   30.342 10.63293 48.98934 
1 1 1    5   31   26 f   55.248   25.137   3.6728   7.8875   0.3243   16.798   4.6198   8.9336   59.326   29.368   57.599   26.412 1.727802 39.49770 
1 1 1    5   31   27 o   42.915   21.410 -11.7987   9.6454 -12.3400   16.736 -11.5295   11.803   52.486   26.459   46.985   23.478 5.501106 35.37383 
1 1 1    5   31   28 o   69.261   30.473   14.605   10.588   63.520   19.537  -5.7348   12.598  105.287   43.667   50.575   25.105 54.71180 50.36931 
1 1 1    5   31   29 o   80.167   29.524   17.381   8.0720   24.300   20.524   16.115   8.7794   66.519   32.842   74.414   29.864 -7.894356 44.39004 
1 1 1    5   31   30 o   67.529   28.006   12.799   8.0354  -6.8770   20.529   16.359   8.7321   53.405   27.176   73.299   29.654 -19.89313 40.22318 
1 1 1    5   31   31 o   39.540   19.652  -7.8596   7.8155 -19.5800   19.949  -5.7345   8.4945   48.619   24.907   42.449   20.990 6.170132 32.57206 
1 1 1    5   31   32 o   47.757   22.893   1.9112   8.1290  -7.6850   19.816   3.8529   8.9136   49.846   25.480   50.324   24.083 -0.4777184 35.06020 
1 1 1    5   32    0 o  154.038   26.734   38.442   10.280   35.180   14.801   41.482   14.288  128.204   40.117  145.151   37.674 -16.94693 55.03337 
1 1 1    5   32    1 o  136.120   30.205   31.903   10.372   20.566   14.965   42.381   14.387   98.081   39.120  146.855   37.645 -48.77315 54.29087 
1 1 1    5   32    2 o  128.374   31.846   29.419   10.538   15.893   15.443   41.208   14.417   90.327   38.229  143.676   38.112 -53.34933 53.98149 
1 1 1    5   32    3 o  179.598   23.122   49.723   10.507   39.723   15.807   57.637   14.063  134.351   41.362  183.169   30.729 -48.81760 51.52765 
1 1 1    5   32    4 o  137.070   28.578   31.670   9.8178   53.287   15.683   17.739   12.590  165.508   37.455   93.956   36.352 71.55180 52.19501 
1 1 1    5   32    5 o  151.774   26.741   37.678   10.129   29.727   15.291   43.894   13.521  113.418   40.803  152.905   34.905 -39.48754 53.69555 
1 1 1    5   32    6 o   95.774   32.280   17.264   9.4883   24.428   15.088   12.577   12.204  102.991   39.809   83.648   34.587 19.34375 52.73569 
1 1 1    5   32    7 o  119.041   31.203   25.741   9.7384   22.675   14.897   28.029   12.869   99.431   39.228  114.695   37.563 -15.26347 54.31178 
1 1 1    5   32    8 o   43.082   21.398 -16.5607   9.2048 -17.0241   13.826 -16.1918   12.336   54.633   26.970   51.817   25.560 2.816135 37.15801 
1 1 1    5   32    9 o   54.749   25.557  -2.7804   8.9344 -14.0209   13.933   5.0686   11.643   56.460   27.715   70.263   31.374 -13.80298 41.86235 
1 1 1    5   32   10 o  103.215   30.916   20.051   8.9148   30.819   12.652   9.4330   12.563  119.729   37.028   76.784   33.502 42.94494 49.93488 
1 1 1    5   32   11 o   78.563   30.924   11.228   9.2386 -10.7271   13.854   28.810   12.398   57.870   28.243  114.701   36.815 -56.83025 46.40098 
1 1 1    5   32   12 o   90.873   30.120   15.739   8.2654   5.6792   11.626   26.019   11.753   69.699   31.221  109.025   35.906 -39.32562 47.58136 
1 1 1    5   32   13 o   58.051   26.405   0.8882   8.6959   8.3068   14.119  -3.6464   11.038   74.369   33.757   57.507   27.318 16.86269 43.42565 
1 1 1    5   32   14 o   74.750   30.098   10.178   8.9495   13.014   14.209   8.3131   11.522   79.492   35.123   72.280   31.795 7.211655 47.37688 
1 1 1    5   32   15 o   58.208   27.863  -3.9602   11.947  -7.8710   16.960  -0.1078   16.833   62.728   30.748   67.632   32.555 -4.903812 44.78038 
1 1 1    5   32   16 o   70.464   33.256   5.4000   15.863   5.4000   15.863   0.0000   0.0000   70.464   33.256  ?   ?  0.000000 33.25624 
1 1 1    5   32   17 o   58.759   26.534   2.4858   8.5914   2.7417   9.7154   1.5680   18.401   60.888   27.778   68.435   33.206 -7.546417 43.29278 
1 1 1    5   32   18 o   39.014   19.407 -13.3832   7.6870 -15.5625   10.608 -10.9734   11.155   45.658   22.726   49.866   24.541 -4.208355 33.44747 
1 1 1    5   32   19 o   69.472   28.629   9.2431   8.3228  -3.5174   11.605   22.759   11.943   55.903   26.940   92.516   35.510 -36.61308 44.57217 
1 1 1    5   32   20 o  103.569   28.385   21.379   7.8412   13.802   10.918   29.450   11.269   75.713   32.099  108.903   35.114 -33.19082 47.57483 
1 1 1    5   32   21 o   74.967   28.919   12.372   7.9494   17.368   11.330   7.5275   11.156   79.853   33.197   65.039   29.709 14.81371 44.54955 
1 1 1    5   32   22 o   70.015   28.286   10.839   7.9330   2.0553   11.939   17.784   10.615   58.517   27.968   80.125   32.595 -21.60794 42.94911 
1 1 1    5   32   23 f   53.002   24.675   1.7063   8.2393   19.204   11.950 -14.1504   11.376   77.873   33.314   45.573   22.813 32.30050 40.37689 
1 1 1    5   32   24 o   69.212   30.025   13.044   9.9711   18.430   18.254   10.754   11.904   68.477   33.191   64.756   29.979 3.720421 44.72511 
1 1 1    5   32   25 o   52.021   24.816   1.0646   9.3054   39.680   18.698 -11.6487   10.728   81.898   37.793   44.589   22.296 37.30941 43.87994 
1 1 1    5   32   26 o   52.484   25.400   1.0513   10.589   16.860   19.211  -5.8485   12.692   63.657   31.493   49.869   24.827 13.78859 40.10237 
1 1 1    5   32   27 o  108.484   31.094   30.351   9.1879   4.8190   20.300   36.929   10.304   57.256   28.898  117.388   32.682 -60.13192 43.62580 
1 1 1    5   32   28 o   67.820   28.121   13.477   8.0999  -1.2000   20.075   16.331   8.8525   54.030   27.431   71.659   29.527 -17.62924 40.30316 
1 1 1    5   32   29 o   74.234   28.568   16.435   7.7429   37.980   20.880   13.000   8.3374   66.590   32.923   64.649   27.747 1.940758 43.05611 
1 1 1    5   32   30 o   54.843   25.515   8.1535   8.7858   22.660   20.593   4.9253   9.7144   58.075   29.286   51.266   24.691 6.809437 38.30566 
1 1 1    5   32   31 o   53.393   25.144   8.4532   8.9772  -5.4700   20.252   11.858   10.015   48.411   24.821   56.442   26.573 -8.030182 36.36186 
1 1 1    5   33    0 o   61.522   27.715   2.1736   9.3075 -21.3332   13.793   21.826   12.612   51.225   25.563   97.317   36.694 -46.09245 44.72063 
1 1 1    5   33    1 o  103.748   32.697   21.619   9.8132   5.7778   14.615   34.623   13.242   72.626   33.479  124.740   37.751 -52.11422 50.45821 
1 1 1    5   33    2 o  144.920   27.622   36.335   9.9903   39.144   15.029   34.110   13.373  127.318   40.499  122.758   38.085 4.559540 55.59385 
1 1 1    5   33    3 o  268.231   16.383  104.186   11.328  101.316   16.304  106.865   15.752  245.993   25.979  256.968   23.941 -10.97495 35.32851 
1 1 1    5   33    4 o  167.039   23.382   44.968   9.8398   41.817   14.882   47.416   13.116  133.357   39.944  156.599   33.356 -23.24252 52.04016 
1 1 1    5   33    5 o  108.495   30.878   22.645   9.0933   8.8003   13.242   34.998   12.509   74.498   33.348  127.801   36.161 -53.30302 49.19098 
1 1 1    5   33    6 o   48.696   23.487  -7.2196   8.8674   0.2531   14.097 -12.1121   11.407   65.839   31.158   51.096   25.081 14.74308 39.99828 
1 1 1    5   33    7 o   59.475   27.093   1.4222   9.1993  -1.7062   14.128   3.7250   12.121   63.906   30.511   66.749   30.666 -2.843071 43.25889 
1 1 1    5   33    8 o   93.528   31.492   17.866   9.0306   21.948   14.522   15.292   11.532   91.712   37.807   83.505   33.971 8.206879 50.82758 
1 1 1    5   33    9 o   51.948   24.505  -3.0666   8.5923  -3.7511   13.485  -2.5987   11.148   60.728   29.209   57.922   27.497 2.806099 40.11530 
1 1 1    5   33   10 o   89.912   32.558   17.530   9.7564  -0.9174   15.541   29.530   12.534   65.157   31.343  110.502   37.102 -45.34522 48.56885 
1 1 1    5   33   11 o   54.210   25.548  -2.1872   9.3011   17.850   18.564  -8.9029   10.747   81.453   37.613   51.092   24.922 30.36131 45.12017 
1 1 1    5   33   12 o   61.683   28.637   2.0415   10.977   4.6100   16.520   0.0112   14.688   69.232   33.037   64.129   30.749 5.103378 45.13242 
1 1 1    5   33   13 o   73.050   32.163   10.690   11.814   26.070   16.298  -6.3370   17.148   90.854   38.888   61.971   30.485 28.88229 49.41277 
1 1 1    5   33   14 o   57.891   26.753   1.4677   9.4183  -2.1965   11.142   10.640   17.628   56.679   27.070   72.872   34.589 -16.19315 43.92289 
1 1 1    5   33   15 o   47.353   22.491  -3.3489   7.4764 -11.3248   9.4757   9.8053   12.169   45.259   22.340   70.376   31.698 -25.11641 38.77922 
1 1 1    5   33   16 o   69.439   29.772   9.7729   9.5812   14.023   11.702   1.1280   16.689   75.557   32.652   63.931   31.156 11.62612 45.13197 
1 1 1    5   33   17 o   58.182   26.882   2.8762   9.5035   3.3600   11.507   1.8380   16.857   60.841   28.594   63.517   31.033 -2.676292 42.19753 
1 1 1    5   33   18 o   68.356   27.372   9.6419   7.3570   10.326   9.8816   8.7913   11.020   68.395   29.781   66.019   29.910 2.375519 42.20775 
1 1 1    5   33   19 o   85.254   29.582   16.899   7.9811   23.147   11.906   11.800   10.756   86.342   34.733   69.089   30.540 17.25312 46.25051 
1 1 1    5   33   20 o   81.445   30.217   16.749   8.4843   13.069   13.310   19.267   11.011   67.871   31.519   79.532   32.867 -11.66021 45.53754 
1 1 1    5   33   21 o   42.096   20.568  -5.9016   7.4081   6.7617   11.649 -14.4992   9.5989   60.209   28.442   41.185   20.665 19.02401 35.15649 
1 1 1    5   33   22 o   42.693   20.731  -4.2931   7.2069 -13.4134   10.130   5.0541   10.255   42.402   21.269   56.835   26.798 -14.43333 34.21302 
1 1 1    5   33   23 o   45.539   22.415  -5.3179   9.3148 -24.5400   18.295   1.4090   10.823   48.226   24.638   52.796   25.582 -4.569759 35.51721 
1 1 1    5   33   24 o   55.860   26.980   5.6206   11.797 -15.4800   18.704   19.560   15.202   50.142   25.555   65.807   31.482 -15.66488 40.54836 
1 1 1    5   33   25 o   41.016   20.280  -6.4915   7.9233   0.6767   18.983  -8.0037   8.7191   54.204   27.427   41.514   20.653 12.69024 34.33375 
1 1 1    5   33   26 o   65.780   28.433   14.145   8.8764   17.110   20.033   13.421   9.9014   58.703   29.509   62.759   28.399 -4.055496 40.95526 
1 1 1    5   33   27 o   51.551   24.398   5.0537   8.6469   10.130   19.862   3.8665   9.6049   54.809   27.769   50.670   24.441 4.139107 36.99306 
1 1 1    5   33   28 o   46.810   22.746   1.3978   8.7177 -14.8000   19.930   5.2300   9.6942   47.106   24.183   50.769   24.505 -3.662727 34.42886 
1 1 1    5   33   29 o   40.825   20.177  -3.3321   7.8172  -8.3690   19.586  -2.3777   8.5257   46.970   24.104   42.503   21.019 4.467319 31.98148 
1 1 1    5   33   30 o   35.476   18.029 -14.0288   8.8229  -7.6520   20.806 -15.4269   9.7422   45.869   23.594   36.380   18.532 9.488934 30.00238 
1 1 1    5   34    0 o  127.251   37.147   38.430   13.006   38.510   19.927   38.370   17.167   99.974   42.901  107.682   42.229 -7.707611 60.19782 
1 1 1    5   34    1 f   62.596   29.705   0.8077   12.987 -10.9900   19.484   10.240   17.422   62.099   30.891   73.578   34.765 -11.47865 46.50633 
1 1 1    5   34    2 o   75.699   32.720   12.374   11.756   6.6980   15.453   20.170   18.111   69.834   32.918   82.231   37.671 -12.39743 50.02650 
1 1 1    5   34    3 o   99.616   36.019   25.100   11.935   38.530   17.393   13.150   16.407  106.713   42.295   75.852   35.143 30.86063 54.99064 
1 1 1    5   34    4 o   65.737   30.559   4.6835   12.563   29.060   16.871 -25.6600   18.823   93.564   39.794   55.235   27.873 38.32866 48.58455 
1 1 1    5   34    5 o   82.470   34.411   17.080   12.237   2.7090   15.428   41.460   20.095   66.030   31.622  101.827   43.372 -35.79719 53.67561 
1 1 1    5   34    6 o   70.376   32.187   8.9283   13.149  -3.3620   20.139   18.060   17.359   65.483   32.368   79.479   36.583 -13.99672 48.84666 
1 1 1    5   34    7 o   75.997   32.502   13.153   11.369   5.2474   14.245   27.020   18.867   66.836   31.535   86.604   39.195 -19.76795 50.30606 
1 1 1    5   34    8 o   47.322   23.422 -12.5213   10.669 -18.3769   13.199  -1.4840   18.121   49.116   24.585   64.401   31.612 -15.28543 40.04636 
1 1 1    5   34    9 o   59.835   27.948   2.1098   10.711   0.2140   13.317   5.5820   18.023   60.992   29.254   68.165   33.025 -7.172989 44.11892 
1 1 1    5   34   10 o   63.652   27.078   6.8165   7.8143   8.1245   10.412   5.1296   11.824   66.989   29.809   63.931   29.695 3.058575 42.07523 
1 1 1    5   34   11 o   51.168   24.011  -0.9866   8.0611  -6.6401   11.945   3.7417   10.924   53.137   25.995   61.165   28.454 -8.027660 38.54057 
1 1 1    5   34   12 o   62.166   27.408   6.2069   8.6063   7.9524   11.962   4.3342   12.391   66.154   30.419   62.490   29.462 3.663952 42.34813 
1 1 1    5   34   13 o   99.767   29.369   21.231   8.0995   9.7892   10.569   37.512   12.608   67.706   30.084  117.938   37.044 -50.23233 47.72136 
1 1 1    5   34   14 o   47.821   22.929  -3.2517   8.1672   3.0557   11.477  -9.7216   11.624   59.249   28.061   49.358   24.433 9.891350 37.20731 
1 1 1    5   34   15 o   58.765   25.895   5.5704   7.6727   0.3250   11.581   9.6735   10.243   56.143   27.019   65.928   29.434 -9.785423 39.95517 
1 1 1    5   34   16 o   59.095   25.794   6.1825   7.4535   3.7451   10.292   8.8706   10.808   57.504   27.031   63.784   29.176 -6.280136 39.77324 
1 1 1    5   34   17 o   58.413   26.747   5.8032   9.1151  -1.2760   11.168   19.930   15.776   52.871   25.703   71.310   33.503 -18.43935 42.22713 
1 1 1    5   34   18 o   88.617   32.907   23.599   10.067   22.435   12.097   26.220   18.154   78.698   33.589   71.996   34.432 6.702690 48.10212 
1 1 1    5   34   19 o   47.136   22.445  -0.5252   7.5405  -1.6099   10.125   0.8258   11.299   49.874   24.297   53.023   25.795 -3.149265 35.43666 
1 1 1    5   34   20 o   44.774   21.726  -2.8138   7.8789   0.2502   11.927  -5.1859   10.495   52.239   25.643   47.041   23.273 5.197540 34.62932 
1 1 1    5   34   21 o   55.757   26.331   6.5099   9.9709   9.1100   19.072   5.5320   11.697   57.701   28.977   55.164   26.697 2.536503 39.40015 
1 1 1    5   34   22 o   44.336   21.979  -5.4314   9.5357 -11.5612   12.438   3.3100   14.853   44.853   22.636   53.596   26.711 -8.743378 35.01271 
1 1 1    5   34   23 o   34.775   17.576 -14.3741   7.6588 -11.8225   11.499 -16.4085   10.268   43.025   21.720   39.155   19.851 3.870029 29.42485 
1 1 1    5   34   24 o   62.572   26.676   11.898   7.6145   21.500   10.444   1.0047   11.125   71.577   30.890   49.005   24.192 22.57191 39.23593 
1 1 1    5   34   25 o   38.245   19.393 -14.7230   9.8181   6.8630   19.364 -22.1929   11.391   52.271   26.579   37.909   19.373 14.36251 32.88975 
1 1 1    5   34   26 o   44.267   21.628   0.0166   8.1880   10.050   19.276  -2.1923   9.0445   51.774   26.345   43.433   21.509 8.341404 34.00995 
1 1 1    5   34   27 o   55.004   25.530   11.112   8.7157   3.4860   20.003   12.899   9.6833   48.585   24.893   55.866   26.248 -7.281380 36.17485 
1 1 1    5   34   28 o   34.343   17.413 -12.1257   7.9043   2.2560   19.588 -14.9229   8.6388   46.691   23.970   34.414   17.523 12.27624 29.69229 
1 1 1    5   35    0 o   64.806   28.318   7.8419   9.0058  -5.6546   13.339   19.148   12.209   55.171   27.089   81.309   34.178 -26.13790 43.61150 
1 1 1    5   35    1 o  111.370   29.823   26.052   8.7752   24.640   13.065   27.212   11.845   88.780   36.143   98.176   35.824 -9.395958 50.88852 
1 1 1    5   35    2 o   62.645   27.638   6.6542   8.7666   1.8627   12.649   11.084   12.161   59.990   28.704   69.465   31.451 -9.475658 42.57974 
1 1 1    5   35    3 o   63.694   27.962   7.3061   8.8716   1.2203   13.323   12.154   11.891   59.954   28.886   70.814   31.657 -10.85989 42.85521 
1 1 1    5   35    4 o   40.507   20.000  -9.8437   7.6122  -5.4624   11.176 -13.6357   10.397   51.939   25.353   44.893   22.370 7.045742 33.81075 
1 1 1    5   35    5 o   65.275   28.114   8.4140   8.6160   17.948   13.407   1.7057   11.246   76.878   34.035   58.077   27.584 18.80070 43.80935 
1 1 1    5   35    6 o  158.637   23.770   44.777   9.4666   65.381   14.380   29.019   12.576  170.406   33.772   97.218   36.646 73.18781 49.83440 
1 1 1    5   35    7 o  119.074   28.594   28.967   8.7082   20.677   12.551   36.663   12.093   81.249   34.429  117.042   36.201 -35.79317 49.95913 
1 1 1    5   35    8 o   54.492   25.331   1.9562   8.6325  -4.8210   13.478   6.6701   11.241   54.698   26.931   62.443   28.987 -7.744728 39.56603 
1 1 1    5   35    9 o   86.578   30.518   18.279   8.5127   14.320   12.048   22.227   12.030   71.289   31.868   83.643   34.438 -12.35344 46.92032 
1 1 1    5   35   10 o   39.850   19.773 -10.4623   7.7870  -5.4444   10.326 -17.0773   11.856   49.243   24.107   44.955   22.612 4.287601 33.05271 
1 1 1    5   35   11 o   73.080   29.363   13.468   8.4974   8.6509   12.047   18.238   11.987   63.143   29.541   75.302   32.794 -12.15897 44.13771 
1 1 1    5   35   12 o   65.960   27.971   10.313   8.2928  -4.0207   11.599   25.300   11.861   51.331   25.215   86.467   34.708 -35.13544 42.90059 
1 1 1    5   35   13 o   50.111   23.303   1.5103   7.3161   10.291   10.475  -6.8517   10.222   63.731   28.986   46.888   23.155 16.84395 37.09856 
1 1 1    5   35   14 o   80.867   29.878   17.596   8.2780   2.3868   12.517   29.419   11.036   55.476   27.024   95.829   34.638 -40.35343 43.93312 
1 1 1    5   35   15 o   71.628   29.017   14.442   8.3729   20.265   12.396   9.5562   11.354   72.232   32.305   60.616   28.461 11.61556 43.05384 
1 1 1    5   35   16 o   91.793   30.104   22.447   8.2644   35.788   11.722   9.2619   11.653  101.561   35.811   59.236   28.118 42.32579 45.53131 
1 1 1    5   35   17 o   48.228   23.084   0.7630   8.1963   1.0517   10.854   0.3799   12.502   51.034   24.927   51.696   25.544 -0.6616936 35.69120 
1 1 1    5   35   18 o   48.485   23.985  -1.9038   11.136   14.100   17.450 -12.9000   14.465   58.666   29.191   46.359   23.510 12.30658 37.48161 
1 1 1    5   35   19 o   55.504   27.124   8.7009   12.901  -6.8560   19.054   21.870   17.531   50.370   25.682   61.201   30.242 -10.83115 39.67528 
1 1 1    5   35   20 f   60.541   27.408   12.460   9.2342   10.255   10.861   18.210   17.540   56.412   26.883   58.117   28.974 -1.704445 39.52473 
1 1 1    5   35   21 o   43.539   21.206  -1.1103   7.6983  -4.1944   10.715   2.1806   11.068   44.838   22.400   49.044   24.196 -4.205982 32.97281 
1 1 1    5   35   22 o   41.545   20.635  -4.4952   8.5617 -24.1992   12.227   14.458   11.992   38.171   19.551   57.260   27.541 -19.08913 33.77507 
1 1 1    5   35   23 o   54.829   25.481   10.125   8.7252  -3.7766   12.805   22.172   11.921   45.330   22.888   63.303   29.540 -17.97352 37.36951 
1 1 1    5   35   24 o   41.297   20.373  -1.9226   7.8408  -7.0862   12.363   1.5516   10.141   42.849   21.731   45.731   22.670 -2.881489 31.40317 
1 1 1    5   35   25 o   51.338   24.790   10.369   9.9453  -0.5986   19.630   14.157   11.535   46.254   23.758   53.093   25.881 -6.839439 35.13203 
1 1 1    5   35   26 o   43.224   21.381   1.8567   8.8452   8.6620   19.635   0.1241   9.9074   46.686   23.969   42.635   21.335 4.050831 32.08913 
1 1 1    5   36    0 o   67.942   28.734   11.744   8.7144   10.767   12.113   12.791   12.547   64.226   29.906   66.242   30.705 -2.016090 42.86236 
1 1 1    5   36    1 o  105.574   31.110   27.141   9.0844   28.574   13.061   25.797   12.643   87.065   35.870   83.849   34.981 3.215889 50.10297 
1 1 1    5   36    2 o  145.023   25.726   41.232   9.3101   23.919   13.315   57.795   13.023   78.889   34.453  154.240   33.552 -75.35056 48.09089 
1 1 1    5   36    3 o   66.553   28.491   11.169   8.7502   9.5545   12.470   12.735   12.282   62.637   29.539   66.035   30.528 -3.397861 42.47971 
1 1 1    5   36    4 o   60.129   26.730   7.5138   8.3530  -0.0350   11.505   15.928   12.147   53.595   26.063   69.708   31.508 -16.11284 40.89035 
1 1 1    5   36    5 o   79.687   29.230   16.272   7.9006   19.846   11.505   13.082   10.869   76.072   32.620   66.947   30.073 9.125237 44.36694 
1 1 1    5   36    6 o   92.449   35.461   29.849   11.906   0.0000   0.0000   29.849   11.906  ?   ?    92.449   35.461 0.000000 35.46105 
1 1 1    5   36    7 o  122.516   27.474   31.935   8.5039   37.028   12.074   26.923   11.979  106.493   36.412   85.475   34.679 21.01806 50.28390 
1 1 1    5   36    8 o   67.565   28.276   12.285   8.2977   4.0901   11.320   21.802   12.199   55.662   26.769   75.375   32.946 -19.71310 42.45043 
1 1 1    5   36    9 f   56.393   25.760   6.2024   8.3889   22.223   12.224  -8.0594   11.533   74.974   32.871   46.939   23.416 28.03565 40.35845 
1 1 1    5   36   10 o   63.947   27.295   10.865   7.9886   9.2003   11.028   12.704   11.588   59.403   27.942   62.934   29.287 -3.531063 40.47787 
1 1 1    5   36   11 o   50.325   23.566   2.8034   7.6957   3.8135   11.017   1.8408   10.755   53.656   25.953   51.871   25.219 1.784466 36.18757 
1 1 1    5   36   12 o   60.882   26.781   10.122   8.1741   4.8123   11.994   14.728   11.170   54.159   26.398   63.923   29.394 -9.764111 39.50772 
1 1 1    5   36   13 o   61.079   26.830   10.680   8.1781   8.9717   11.234   12.607   11.929   56.848   27.159   59.952   28.456 -3.103729 39.33641 
1 1 1    5   36   14 o   48.739   23.723   1.1704   9.5894 -17.7000   17.611   9.1229   11.433   46.745   23.905   56.107   26.963 -9.361885 36.03364 
1 1 1    5   36   15 o   84.278   33.118   28.476   10.579   26.790   18.138   29.346   13.024   61.986   30.654   73.932   33.085 -11.94652 45.10348 
1 1 1    5   36   16 o   46.018   22.979  -3.1567   11.218   10.360   16.502 -14.7700   15.296   54.120   27.147   44.747   22.833 9.372540 35.47215 
1 1 1    5   36   17 o   49.354   23.637   4.3426   8.6232   3.9059   9.9608   5.6490   17.227   49.389   24.070   51.417   26.029 -2.027714 35.45226 
1 1 1    5   36   18 o   45.891   22.610   0.4658   9.5551 -10.6852   11.280   28.800   17.980   41.438   20.987   59.340   29.544 -17.90168 36.23952 
1 1 1    5   36   19 o   50.670   24.432   6.9787   9.5775  -0.2577   12.438   17.520   15.012   46.532   23.372   55.233   27.415 -8.700638 36.02537 
1 1 1    5   36   20 o   53.779   25.342   10.568   9.1463   17.016   12.771   3.7782   13.105   55.753   27.189   47.924   24.060 7.829090 36.30619 
1 1 1    5   36   21 o   41.517   20.623  -2.0621   8.5576 -11.6585   11.802   8.5775   12.427   40.133   20.440   49.480   24.623 -9.347088 32.00110 
1 1 1    5   36   22 o   43.434   21.243   1.9215   7.9600  -3.7322   10.869   8.4628   11.691   41.863   21.131   48.487   24.088 -6.624790 32.04308 
1 1 1    5   36   23 o   55.516   25.684   14.559   8.7168   16.085   12.153   12.941   12.509   51.560   25.422   49.397   24.602 2.162724 35.37667 
1 1 1    5   36   24 o   37.722   18.996  -4.6685   8.4970   1.1677   12.255 -10.0709   11.791   42.648   21.630   38.462   19.660 4.185997 29.22961 
1 1 1    5   36   25 o   34.161   17.570 -21.8642   11.494   0.0000   0.0000 -21.8642   11.494  ?   ?    34.161   17.570 0.000000 17.57028 
1 1 1    5   37    0 o   42.793   21.015  -4.2406   8.0399  -0.7846   10.938  -8.3025   11.858   49.158   24.214   45.701   22.936 3.457424 33.35241 
1 1 1    5   37    1 o   60.490   27.038   10.507   8.6710   12.740   12.029   8.0922   12.511   60.348   28.624   56.215   27.300 4.132607 39.55545 
1 1 1    5   37    2 o   76.103   29.887   18.484   8.6108   25.345   12.081   11.400   12.276   75.219   32.835   58.865   28.195 16.35421 43.27954 
1 1 1    5   37    3 o   56.717   25.505   7.9112   7.8421  -5.2336   10.602   23.793   11.653   45.733   22.756   74.039   32.286 -28.30547 39.49996 
1 1 1    5   37    4 o   40.143   19.970  -7.6746   8.1445 -15.0243   11.598  -0.5239   11.440   42.026   21.285   49.352   24.395 -7.325649 32.37505 
1 1 1    5   37    5 o   56.728   25.783   8.3603   8.2710   17.395   12.339   0.9881   11.146   63.628   29.809   49.938   24.568 13.68932 38.62871 
1 1 1    5   37    6 o   58.339   25.940   9.3824   7.8711   5.3932   10.426   14.669   12.002   52.786   25.462   60.817   28.772 -8.031353 38.42078 
1 1 1    5   37    7 o   52.232   24.234   5.6290   7.8420   19.985   12.032  -4.9742   10.340   65.836   30.359   44.804   22.323 21.03204 37.68226 
1 1 1    5   37    8 o   56.011   25.645   8.7016   8.3785   11.101   12.609   6.8044   11.212   56.294   27.355   53.256   25.859 3.038139 37.64283 
1 1 1    5   37    9 o   66.249   28.197   15.271   8.4815   17.550   12.585   13.375   11.480   61.007   29.035   58.349   27.759 2.657692 40.16979 
1 1 1    5   37   10 o   47.782   23.255   2.0458   9.2106  -0.5264   14.706   3.7061   11.815   49.008   24.718   50.160   24.794 -1.152016 35.01002 
1 1 1    5   37   11 o   51.316   24.857   6.3148   10.199   27.700   17.897  -3.9705   12.411   59.892   29.762   45.847   23.071 14.04496 37.65709 
1 1 1    5   37   12 o   42.695   21.473  -6.5167   10.672  -9.0430   17.482  -5.0160   13.474   46.440   23.754   45.645   23.098 0.7947502 33.13264 
1 1 1    5   37   13 o   50.245   24.348   6.3718   9.8088   4.4272   12.056   10.180   16.871   49.018   24.370   51.529   26.048 -2.510181 35.67056 
1 1 1    5   37   14 o   41.457   20.367  -1.6307   7.5743   2.0968   10.068  -6.4923   11.498   46.432   22.939   42.708   21.579 3.723259 31.49334 
1 1 1    5   37   15 o   50.311   23.812   7.2550   8.2377  -5.7383   11.441   21.242   11.871   42.568   21.510   60.281   28.546 -17.71270 35.74339 
1 1 1    5   37   16 o   47.659   22.971   5.3598   8.4459   0.5709   12.173   9.8043   11.728   45.387   22.840   50.463   24.898 -5.075787 33.78736 
1 1 1    5   37   17 o   48.386   23.130   6.6058   8.1724   2.0286   12.027   10.532   11.139   45.444   22.847   50.480   24.780 -5.036346 33.70468 
1 1 1    5   37   18 o   37.222   18.645  -5.5790   7.6541  -6.7675   10.016  -3.9103   11.868   39.500   19.979   42.168   21.375 -2.667477 29.25886 
1 1 1    5   37   19 o   48.391   23.696   9.2447   9.9928   1.3169   11.800   29.350   18.791   43.664   22.038   51.595   26.230 -7.930557 34.25875 
1 1 1    5   37   20 o   42.518   21.243   1.9105   9.6462   3.0429   12.337   0.1289   15.474   43.665   22.097   43.204   22.118 0.4612656 31.26442 
1 1 1    5   37   21 o   54.193   25.590   17.365   9.4148   17.617   13.605   17.134   13.042   48.411   24.333   48.634   24.357 -0.2231636 34.42946 
1 1 1    5   37   22 o   36.910   18.684  -4.6613   8.8685   0.3332   12.747  -9.3463   12.346   40.777   20.810   37.739   19.351 3.037415 28.41710 
1 1 1    5   37   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   38    0 o   48.042   23.362   4.1748   9.2435   9.7860   16.203   1.4675   11.255   51.185   25.832   46.844   23.331 4.341003 34.80866 
1 1 1    5   38    1 o   44.156   21.757  -0.2883   8.8543  -2.9550   13.776   1.5889   11.558   45.910   23.246   47.025   23.457 -1.114803 33.02382 
1 1 1    5   38    2 o   42.103   21.011  -3.8862   9.3186  -4.8650   15.908  -3.3749   11.498   46.129   23.515   44.343   22.299 1.786503 32.40715 
1 1 1    5   38    3 o   50.745   24.562   7.4660   9.9106   15.940   16.625   2.7949   12.343   53.223   26.772   47.755   23.885 5.467777 35.87805 
1 1 1    5   38    4 f   46.773   23.119   2.5052   10.273  -4.2620   14.334   9.6500   14.729   45.391   23.059   50.925   25.558 -5.533913 34.42302 
1 1 1    5   38    5 o   37.403   19.093 -17.6428   10.791  -8.1610   15.514 -26.5300   15.019   44.559   22.758   39.657   20.380 4.902855 30.54949 
1 1 1    5   38    6 o   51.671   25.379   10.426   11.740   4.7390   16.875   15.760   16.343   48.482   24.667   52.406   26.384 -3.924240 36.11935 
1 1 1    5   38    7 o   40.677   20.789 -14.5100   13.131   0.0000   0.0000 -14.5100   13.131  ?   ?    40.677   20.789 0.000000 20.78859 
1 1 1    5   38    8 o   52.684   25.370   11.467   10.248   12.773   12.828   9.1630   17.036   51.833   25.659   49.121   24.972 2.711979 35.80516 
1 1 1    5   38    9 o   39.373   19.809  -6.2967   9.1228  -7.7912   11.547  -3.8150   14.880   41.144   20.880   44.456   22.669 -3.311954 30.81990 
1 1 1    5   38   10 o   52.356   24.524   10.188   8.3450   23.298   11.537  -4.1982   12.085   60.787   28.588   42.669   21.623 18.11736 35.84491 
1 1 1    5   38   11 o   77.649   30.640   27.022   9.0904   5.7954   12.879   48.094   12.832   46.807   23.547   86.275   35.550 -39.46818 42.64142 
1 1 1    5   38   12 o   48.333   24.104   9.5817   12.180   9.5817   12.180   0.0000   0.0000   48.333   24.104  ?   ?  0.000000 24.10431 
1 1 1    5   38   13 f   45.044   21.840   4.6005   7.9186   4.4648   11.181   4.7371   11.217   45.192   22.622   45.340   22.690 -0.1478882 32.04041 
1 1 1    5   38   14 o   41.018   20.224   0.6511   7.6907  -7.3164   10.667   9.2762   11.098   39.059   19.847   47.426   23.545 -8.366436 30.79434 
1 1 1    5   38   15 o   42.402   20.836   2.7013   7.9393  -2.0574   12.375   6.0302   10.350   41.639   21.180   45.002   22.407 -3.363674 30.83287 
1 1 1    5   38   16 o   39.983   19.981  -0.3606   8.5565 -18.9020   12.736   14.892   11.552   36.506   18.761   49.058   24.297 -12.55168 30.69730 
1 1 1    5   38   17 o   47.790   23.107   10.614   8.7121   4.7681   12.598   15.973   12.061   42.885   21.769   48.208   24.033 -5.322739 32.42620 
1 1 1    5   38   18 o   37.919   18.914  -0.6329   7.5146  -1.0196   11.424  -0.3380   9.9766   39.767   20.239   39.509   19.979 0.2575302 28.43926 
1 1 1    5   38   19 o   34.688   17.533  -5.1670   7.6347 -10.4444   10.184   1.6039   11.536   35.086   17.961   39.951   20.334 -4.865009 27.12994 
1 1 1    5   38   20 o   37.324   19.100  -3.5578   11.423  -5.2740   14.512  -0.7624   18.521   37.893   19.503   39.282   20.292 -1.388153 28.14477 
1 1 1    5   39    0 o   55.892   25.715   15.241   8.5651   9.6847   11.660   21.753   12.623   47.258   23.571   53.765   26.389 -6.506413 35.38325 
1 1 1    5   39    1 o   42.794   20.979   2.7847   7.9022   7.1293   11.707  -0.8514   10.710   45.867   22.987   41.764   21.068 4.103348 31.18142 
1 1 1    5   39    2 o   34.910   17.660  -8.8401   7.8391  -6.8340   10.791 -11.0822   11.407   39.207   19.926   38.193   19.507 1.013596 27.88542 
1 1 1    5   39    3 f   43.523   21.450   3.5657   8.6249  -5.7553   12.233   12.779   12.162   40.505   20.646   48.560   24.196 -8.054573 31.80736 
1 1 1    5   39    4 o   39.987   19.948  -1.0603   8.3685   3.0890   12.108  -4.8547   11.579   43.711   22.093   40.347   20.519 3.364040 30.15174 
1 1 1    5   39    5 o   47.432   22.908   8.3702   8.5025   4.8343   11.626   12.436   12.467   44.301   22.297   47.838   23.938 -3.536907 32.71391 
1 1 1    5   39    6 o   37.286   18.740  -4.5467   8.0645  -4.8517   11.173  -4.2150   11.652   39.833   20.248   40.352   20.528 -0.5191040 28.83302 
1 1 1    5   39    7 o   43.949   21.535   4.9300   8.2960   9.4450   12.679   1.5499   10.970   45.820   23.090   42.257   21.318 3.563755 31.42615 
1 1 1    5   39    8 o   46.843   22.726   8.6304   8.6109  -9.0394   12.724   23.560   11.696   39.022   19.983   54.936   26.613 -15.91415 33.28030 
1 1 1    5   39    9 o   46.067   22.246   7.7493   8.0108   24.338   11.574  -7.5037   11.099   55.278   26.705   38.215   19.495 17.06290 33.06345 
1 1 1    5   39   10 o   38.733   19.389  -1.1420   8.2170   8.1802   11.402 -11.2153   11.852   44.533   22.369   37.343   19.135 7.190010 29.43692 
1 1 1    5   39   11 o   38.887   19.495  -0.6673   8.4505 -18.7284   11.547   20.161   12.400   34.820   17.895   49.641   24.686 -14.82051 30.48937 
1 1 1    5   39   12 o   39.399   19.716   0.7605   8.4592   0.0177   12.458   1.3960   11.523   40.387   20.608   40.673   20.663 -0.2859230 29.18305 
1 1 1    5   39   13 o   39.836   19.957   1.9978   8.7822   17.435   12.522 -12.9475   12.321   46.633   23.427   36.232   18.622 10.40100 29.92636 
1 1 1    5   39   14 o   55.539   25.549   19.418   8.4511   15.402   11.185   24.762   12.901   46.027   22.977   48.887   24.446 -2.859772 33.54948 
1 1 1    5   39   15 o   40.177   20.013   4.4192   8.2922   24.400   11.917 -14.3351   11.546   49.191   24.417   34.502   17.739 14.68818 30.18083 
1 1 1    5   39   16 o   38.072   19.208   1.8880   8.9158   9.1157   13.192  -4.1895   12.097   40.682   20.795   36.836   18.906 3.845531 28.10458 
1 1 1    5   39   17 o   36.287   18.512  -1.3979   10.013  -7.3090   16.153   2.2908   12.760   36.611   18.913   37.960   19.479 -1.349518 27.15052 
1 1 1    5   39   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   40    0 o   43.139   21.339   7.8926   8.8090  -7.5519   12.469   23.280   12.446   37.235   19.116   48.781   24.334 -11.54614 30.94481 
1 1 1    5   40    1 o   43.580   21.567   8.6903   9.0381   15.791   12.864   1.7676   12.701   44.830   22.671   39.924   20.407 4.906029 30.50305 
1 1 1    5   40    2 o   39.273   19.716   1.9753   8.7968   13.251   12.675  -8.5016   12.218   43.871   22.222   36.831   18.910 7.039734 29.17886 
1 1 1    5   40    3 o   41.432   20.523   5.4556   8.2512   30.446   12.136 -16.0272   11.252   53.649   26.237   34.195   17.577 19.45476 31.58027 
1 1 1    5   40    4 o   40.267   20.033   3.9916   8.2032   13.595   11.596  -5.6271   11.606   44.400   22.337   37.158   19.033 7.242638 29.34634 
1 1 1    5   40    5 o   42.674   21.179   7.9841   8.9512   1.8363   12.684   14.084   12.634   39.550   20.230   43.755   22.166 -4.205658 30.00995 
1 1 1    5   40    6 o   34.443   17.538  -6.8171   8.6559  -4.6681   12.723  -8.6685   11.810   37.570   19.289   36.123   18.549 1.446907 26.76085 
1 1 1    5   40    7 o   39.097   19.642   2.9848   8.8116   7.0450   12.627  -0.8693   12.302   40.685   20.759   38.252   19.593 2.433582 28.54492 
1 1 1    5   40    8 o   48.924   23.566   16.702   8.8550   21.875   12.402   11.322   12.647   46.240   23.241   41.774   21.264 4.465561 31.50075 
1 1 1    5   40    9 o   47.752   22.964   14.840   8.3270   16.430   11.906   13.316   11.650   43.753   22.089   42.590   21.543 1.162300 30.85477 
1 1 1    5   40   10 o   43.556   21.526   11.770   8.8939   8.7364   12.515   14.864   12.641   40.077   20.467   42.083   21.406 -2.005814 29.61591 
1 1 1    5   40   11 f   33.777   17.248  -5.9746   8.8724  -4.5262   13.002  -7.2366   12.137   36.164   18.605   35.251   18.127 0.9123993 25.97579 
1 1 1    5   40   12 o   30.047   15.470 -18.4299   9.2665  -1.4790   16.720 -25.9448   11.133   36.852   19.045   30.363   15.686 6.488878 24.67331 
1 1 1    5   40   13 o   41.886   21.072   15.055   10.320   35.810   17.625   4.2265   12.731   42.061   21.640   37.127   19.073 4.933689 28.84531 
1 1 1    5   40   14 o   38.865   19.748   10.551   10.555   13.310   13.360   5.9700   17.216   38.574   19.803   36.653   18.973 1.921383 27.42526 
1 1 1    5   41    0 o   41.751   21.299   23.242   13.258   13.780   19.100   32.040   18.418   37.738   19.549   40.399   20.845 -2.661148 28.57733 
1 1 1    5   41    1 o   31.609   16.332 -20.0693   12.175 -26.8700   16.580 -12.1100   17.937   32.860   17.053   34.789   18.047 -1.929398 24.82927 
1 1 1    5   41    2 o   34.567   17.770  -3.7458   11.530   17.220   14.812 -35.9900   18.369   39.168   20.135   32.624   16.951 6.543652 26.32016 
1 1 1    5   41    3 o   35.559   18.277   0.3200   11.908  -8.7820   15.445   13.660   18.698   34.558   17.891   37.590   19.468 -3.031963 26.44085 
1 1 1    5   41    4 o   39.517   20.243   16.860   13.151   10.520   18.533   23.290   18.665   37.073   19.206   38.663   19.986 -1.590889 27.71821 
1 1 1    5   41    5 o   36.461   18.740   5.2289   12.560   0.9180   18.576   8.8590   17.046   35.787   18.559   36.783   19.020 -0.9959068 26.57449 
1 1 1    5   41    6 o   31.804   16.416 -14.3731   11.620   12.920   18.042 -33.7200   15.190   36.944   19.134   31.024   16.106 5.919727 25.00972 
1 1 1    5   41    7 o   27.995   14.511 -32.8993   10.935 -32.7300   16.232 -33.0400   14.796   31.403   16.309   30.705   15.939 0.6978455 22.80460 
1 1 1    5   41    8 o   36.433   18.537   6.6652   9.5286   5.1298   11.856   9.4660   16.013   35.595   18.293   36.035   18.623 -0.4394569 26.10494 
1 1 1    5   41    9 o   32.739   16.807  -2.9838   9.6254  -9.9041   11.691   11.580   16.960   31.940   16.485   35.789   18.536 -3.849480 24.80589 
1 1 1    5   41   10 o   31.759   16.345  -6.1335   10.162   3.5584   12.465 -25.3400   17.547   34.385   17.716   31.635   16.439 2.750238 24.16794 
1 1 1    5   42    0 o   30.081   15.451  -3.7406   8.3079 -10.5204   11.796   2.9317   11.703   30.016   15.543   32.358   16.693 -2.342218 22.80877 
1 1 1    5   42    1 o   32.471   16.602   3.2700   8.4611   5.6609   11.685   0.6344   12.268   32.894   16.957   31.940   16.500 0.9539433 23.65960 
1 1 1    5   42    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0    0 o  331.218   10.786  142.618   9.2318  142.618   9.2318  142.618   9.2318  331.218   10.786  331.218   10.786 -0.000000 0.000000 
1 1 1    6    0    1 f  263.944   10.547   90.710   7.1851   90.710   7.1851   90.710   7.1851  263.944   10.547  263.944   10.547 -0.000000 0.000000 
1 1 1    6    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0    3 o  712.077   13.272  658.025   24.461  658.025   24.461  658.025   24.461  712.077   13.272  712.077   13.272 -0.000000 0.000000 
1 1 1    6    0    4 o  521.551   11.783  353.124   15.900  353.124   15.900  353.124   15.900  521.551   11.783  521.551   11.783 -0.000000 0.000000 
1 1 1    6    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0    6 o  1143.00   17.587  1697.00   52.041  1697.00   52.041  1697.00   52.041  1143.00   17.587  1143.00   17.587 -0.000000 0.000000 
1 1 1    6    0    7 o  407.059   11.197  215.317   11.786  215.317   11.786  215.317   11.786  407.059   11.197  407.059   11.197 -0.000000 0.000000 
1 1 1    6    0    8 o  533.314   12.038  369.486   16.611  369.486   16.611  369.486   16.611  533.314   12.038  533.314   12.038 0.000000 0.000000 
1 1 1    6    0    9 o  360.155   11.187  168.749   10.414  168.749   10.414  168.749   10.414  360.155   11.187  360.155   11.187 -0.000000 0.000000 
1 1 1    6    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   11 o  427.350   11.644  237.545   12.868  237.545   12.868  237.545   12.868  427.350   11.644  427.350   11.644 -0.000000 0.000000 
1 1 1    6    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   13 o  619.499   12.962  498.648   20.780  498.648   20.780  498.648   20.780  619.499   12.962  619.499   12.962 -0.000000 0.000000 
1 1 1    6    0   14 o  388.634   11.876  196.409   11.931  196.409   11.931  196.409   11.931  388.634   11.876  388.634   11.876 -0.000000 0.000000 
1 1 1    6    0   15 o  265.959   12.301   92.294   8.4329   92.294   8.4329   92.294   8.4329  265.959   12.301  265.959   12.301 -0.000000 0.000000 
1 1 1    6    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   18 o  1125.56   17.848  1644.81   52.007  1644.81   52.007  1644.81   52.007  1125.56   17.848  1125.56   17.848 -0.000000 0.000000 
1 1 1    6    0   19 o  764.735   14.898  759.202   29.485  759.202   29.485  759.202   29.485  764.735   14.898  764.735   14.898 -0.000000 0.000000 
1 1 1    6    0   20 o  1572.97   22.777  3216.34   92.760  3216.34   92.760  3216.34   92.760  1572.97   22.777  1572.97   22.777 -0.000000 0.000000 
1 1 1    6    0   21 o  791.933   14.892  814.310   30.525  814.310   30.525  814.310   30.525  791.933   14.892  791.933   14.892 -0.000000 0.000000 
1 1 1    6    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   23 o  642.148   13.975  535.697   23.220  535.697   23.220  535.697   23.220  642.148   13.975  642.148   13.975 -0.000000 0.000000 
1 1 1    6    0   24 o  792.497   15.100  816.097   30.973  816.097   30.973  816.097   30.973  792.497   15.100  792.497   15.100 -0.000000 0.000000 
1 1 1    6    0   25 o  558.485   13.805  405.564   19.943  405.564   19.943  405.564   19.943  558.485   13.805  558.485   13.805 -0.000000 0.000000 
1 1 1    6    0   26 f  200.648   18.357   53.662   9.3573   53.662   9.3573   53.662   9.3573  200.648   18.357  200.648   18.357 -0.000000 0.000000 
1 1 1    6    0   27 f  382.096   14.069  190.442   13.882  190.442   13.882  190.442   13.882  382.096   14.069  382.096   14.069 -0.000000 0.000000 
1 1 1    6    0   28 o   92.837   35.309   15.365   7.9853   15.365   7.9853   15.365   7.9853   92.837   35.309   92.837   35.309 -0.000000 0.000000 
1 1 1    6    0   29 o   96.663   35.231   16.419   8.1227   16.419   8.1227   16.419   8.1227   96.663   35.231   96.663   35.231 0.000000 0.000000 
1 1 1    6    0   30 o   50.132   30.638   3.0449   7.5619   3.0449   7.5619   3.0449   7.5619   50.132   30.638   50.132   30.638 -0.000000 0.000000 
1 1 1    6    0   31 o  391.951   19.994  203.400   20.179  203.400   20.179  203.400   20.179  391.951   19.994  391.951   19.994 -0.000000 0.000000 
1 1 1    6    0   32 o   64.955   34.266   8.3762   7.6854   8.3762   7.6854   8.3762   7.6854   64.955   34.266   64.955   34.266 -0.000000 0.000000 
1 1 1    6    0   33 o  324.039   15.176  138.443   12.675  138.443   12.675  138.443   12.675  324.039   15.176  324.039   15.176 -0.000000 0.000000 
1 1 1    6    0   34 o  150.178   25.701   32.595   9.1188   32.595   9.1188   32.595   9.1188  150.178   25.701  150.178   25.701 -0.000000 0.000000 
1 1 1    6    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   36 o   61.629   34.847   7.6013   8.5464   7.6013   8.5464   7.6013   8.5464   61.629   34.847   61.629   34.847 -0.000000 0.000000 
1 1 1    6    0   37 o  125.017   34.271   26.025   9.5957   26.025   9.5957   26.025   9.5957  125.017   34.271  125.017   34.271 -0.000000 0.000000 
1 1 1    6    0   38 o   47.675   30.691   1.6436   8.7205   1.6436   8.7205   1.6436   8.7205   47.675   30.691   47.675   30.691 -0.000000 0.000000 
1 1 1    6    0   39 f  339.902   15.582  155.210   13.654  155.210   13.654  155.210   13.654  339.902   15.582  339.902   15.582 -0.000000 0.000000 
1 1 1    6    0   40 o  142.215   38.890   35.730   12.386   35.730   12.386   35.730   12.386  142.215   38.890  142.215   38.890 -0.000000 0.000000 
1 1 1    6    0   41 o  147.613   32.981   36.016   11.014   36.016   11.014   36.016   11.014  147.613   32.981  147.613   32.981 -0.000000 0.000000 
1 1 1    6    0   42 o  123.860   38.595   29.314   10.854   29.314   10.854   29.314   10.854  123.860   38.595  123.860   38.595 -0.000000 0.000000 
1 1 1    6    0   43 f  175.697   28.441   49.266   11.927   49.266   11.927   49.266   11.927  175.697   28.441  175.697   28.441 -0.000000 0.000000 
1 1 1    6    0   44 o   62.234   37.630   11.028   11.146   11.028   11.146   11.028   11.146   62.234   37.630   62.234   37.630 -0.000000 0.000000 
1 1 1    6    0   45 o   73.262   40.590   16.891   11.308   16.891   11.308   16.891   11.308   73.262   40.590   73.262   40.590 -0.000000 0.000000 
1 1 1    6    0   46 o   87.775   41.930   22.464   10.936   22.464   10.936   22.464   10.936   87.775   41.930   87.775   41.930 0.000000 0.000000 
1 1 1    6    0   47 o   56.704   36.042   11.190   11.566   11.190   11.566   11.190   11.566   56.704   36.042   56.704   36.042 -0.000000 0.000000 
1 1 1    6    0   48 f   53.241   35.067   10.898   12.346   10.898   12.346   10.898   12.346   53.241   35.067   53.241   35.067 -0.000000 0.000000 
1 1 1    6    1    0 o  412.007   11.162  220.118   11.913   0.0000   0.0000  220.118   11.913  ?   ?   412.007   11.162 0.000000 11.16222 
1 1 1    6    1    1 o  953.872   11.058  1179.84   27.323  1109.84   36.795  1265.88   40.793  924.626   15.363  987.398   15.949 -62.77264 22.14503 
1 1 1    6    1    2 o  659.339   12.956  563.997   22.128  494.800   29.117  658.600   34.045  617.057   18.217  711.871   18.463 -94.81421 25.93715 
1 1 1    6    1    3 o  1166.57   12.687  1765.55   38.336  1811.96   45.332  1649.00   71.830  1181.44   14.813  1124.76   24.655 56.68359 28.76249 
1 1 1    6    1    4 o  489.839   11.635  311.236   14.763   0.0000   0.0000  311.236   14.763  ?   ?   489.839   11.635 0.000000 11.63491 
1 1 1    6    1    5 o  254.411   7.4279   83.885   4.8950  106.100   9.9527   76.797   5.6219  285.902   13.439  243.389   8.9173 42.51398 16.12852 
1 1 1    6    1    6 o  878.435   10.538  1000.93   23.979  1098.00   51.128  973.559   27.150  917.828   21.505  866.130   12.101 51.69745 24.67640 
1 1 1    6    1    7 o  283.589   10.658  104.352   7.8292   0.0000   0.0000  104.352   7.8292  ?   ?   283.589   10.658 0.000000 10.65807 
1 1 1    6    1    8 o  306.816   7.6756  122.062   6.1002  128.508   8.7244  115.896   8.5327  314.640   10.705  298.781   11.025 15.85846 15.36692 
1 1 1    6    1    9 f  170.528   8.1081   37.722   3.5815   37.846   5.1037   37.601   5.0272  170.273   11.641  169.734   11.502 0.5395813 16.36517 
1 1 1    6    1   10 o  349.593   7.9452  158.558   7.1948  161.763   10.241  155.435   10.110  352.810   11.206  345.832   11.286 6.978180 15.90444 
1 1 1    6    1   11 o  276.311   15.856   99.890   11.301   0.0000   0.0000   99.890   11.301  ?   ?   276.311   15.856 0.000000 15.85576 
1 1 1    6    1   12 f  462.956   17.038  279.600   20.432   0.0000   0.0000  279.600   20.432  ?   ?   462.956   17.038 0.000000 17.03827 
1 1 1    6    1   13 o  639.539   13.118  531.541   21.731   0.0000   0.0000  531.541   21.731  ?   ?   639.539   13.118 0.000000 13.11756 
1 1 1    6    1   14 o  417.614   8.4657  226.128   9.1577  224.158   12.948  228.099   12.954  415.556   12.029  419.200   11.929 -3.644592 16.94143 
1 1 1    6    1   15 o  457.758   8.6103  271.632   10.209  271.527   14.413  271.737   14.464  457.467   12.163  457.641   12.201 -0.1740417 17.22832 
1 1 1    6    1   16 o  1191.73   12.986  1842.50   40.086  1837.93   56.538  1847.13   56.845  1189.25   18.353  1192.21   18.407 -2.961060 25.99357 
1 1 1    6    1   17 o  976.542   11.484  1236.59   29.050  1234.36   41.016  1238.83   41.149  975.078   16.239  976.836   16.263 -1.757996 22.98227 
1 1 1    6    1   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1   19 o  835.883   10.877  905.882   23.552  894.230   33.041  917.917   33.580  830.051   15.367  840.967   15.415 -10.91614 21.76657 
1 1 1    6    1   20 f  611.224   9.6674  484.297   15.306  479.317   21.518  489.398   21.776  607.802   13.667  614.158   13.688 -6.356323 19.34344 
1 1 1    6    1   21 o  686.894   9.9623  611.723   17.726  613.051   25.039  610.390   25.096  687.282   14.065  685.782   14.128 1.499634 19.93523 
1 1 1    6    1   22 o  620.242   19.656  500.500   31.580   0.0000   0.0000  500.500   31.580  ?   ?   620.242   19.656 0.000000 19.65624 
1 1 1    6    1   23 o  993.838   11.812  1281.57   30.409  1291.15   43.287  1272.24   42.728  996.624   16.768  989.317   16.673 7.306885 23.64659 
1 1 1    6    1   24 o  650.367   9.9916  548.625   16.832  536.520   23.583  561.194   24.032  642.676   14.167  657.295   14.115 -14.61884 19.99796 
1 1 1    6    1   25 o  743.409   10.454  717.085   20.131  715.587   28.498  718.577   28.442  741.945   14.828  743.505   14.768 -1.559509 20.92770 
1 1 1    6    1   26 o  325.510   10.303  137.511   8.6869  140.268   12.398  134.853   12.175  328.421   14.574  322.017   14.596 6.403534 20.62659 
1 1 1    6    1   27 o  294.668   10.659  112.747   8.1361  109.231   11.632  116.115   11.385  289.202   15.585  298.690   14.715 -9.488007 21.43371 
1 1 1    6    1   28 o  105.951   22.265   15.273   5.9163   19.983   8.5029   10.854   8.2374  120.622   27.786   91.959   30.050 28.66240 40.92748 
1 1 1    6    1   29 o  448.974   9.8293  261.914   11.431  255.921   16.086  268.028   16.248  443.075   14.016  453.472   13.832 -10.39706 19.69208 
1 1 1    6    1   30 o  346.490   10.395  156.172   9.3299  147.430   13.110  165.142   13.281  335.847   15.070  355.586   14.419 -19.73920 20.85666 
1 1 1    6    1   31 o  180.401   28.177   44.680   12.736   0.0000   0.0000   44.680   12.736  ?   ?   180.401   28.177 0.000000 28.17678 
1 1 1    6    1   32 o  419.496   10.288  229.270   11.179  226.569   15.753  232.009   15.866  415.766   14.627  420.752   14.557 -4.985626 20.63671 
1 1 1    6    1   33 o  154.298   15.499   31.602   6.1110   27.006   9.1115   35.360   8.2389  139.387   26.197  162.048   20.056 -22.66077 32.99336 
1 1 1    6    1   34 o  224.930   12.736   66.495   7.3900   77.560   10.801   56.755   10.133  241.519   17.380  205.789   19.233 35.72983 25.92270 
1 1 1    6    1   35 f  336.018   10.978  147.692   9.5551  143.696   13.365  151.870   13.666  329.766   15.646  339.053   15.560 -9.286285 22.06650 
1 1 1    6    1   36 o  150.665   17.245   30.596   6.6089   38.852   9.4788   22.785   9.2194  167.964   22.341  125.459   28.957 42.50476 36.57344 
1 1 1    6    1   37 o   95.728   25.189   13.155   6.3304   13.990   9.0588   12.358   8.8500   98.424   31.457   93.600   31.174 4.823265 44.28758 
1 1 1    6    1   38 o   40.109   19.258  -7.7757   5.8043 -10.3920   8.6416  -5.6252   7.8346   49.551   23.713   52.031   24.169 -2.479870 33.85926 
1 1 1    6    1   39 o  327.971   11.063  141.677   9.3982  139.944   13.753  143.196   12.873  322.288   16.530  327.320   15.182 -5.032135 22.44426 
1 1 1    6    1   40 o  125.454   40.035   26.240   14.677   0.0000   0.0000   26.240   14.677  ?   ?   125.454   40.035 0.000000 40.03532 
1 1 1    6    1   41 o  110.124   26.007   18.093   7.3001   27.094   10.136   8.3907   10.523  132.693   30.171   83.239   32.928 49.45382 44.66034 
1 1 1    6    1   42 o   71.804   30.483   3.6393   9.8671   0.0000   0.0000   3.6393   9.8671  ?   ?    71.804   30.483 0.000000 30.48297 
1 1 1    6    1   43 o   57.379   25.114   0.3805   7.1089   1.7427   10.004  -1.0087   10.103   68.042   29.786   64.127   28.883 3.914986 41.49040 
1 1 1    6    1   44 o  104.338   27.482   17.290   7.5306   31.975   11.087   4.7134   10.260  139.364   31.459   72.720   30.984 66.64378 44.15489 
1 1 1    6    1   45 o  162.040   21.535   38.651   8.8152   29.826   12.742   46.751   12.208  127.156   36.668  171.223   28.529 -44.06747 46.45881 
1 1 1    6    1   46 o  108.807   29.724   20.046   8.6149   26.118   12.360   14.309   12.014  116.770   36.679   90.240   35.343 26.52912 50.93637 
1 1 1    6    1   47 o  170.758   19.943   43.030   8.6551   40.064   12.201   46.035   12.280  150.899   32.196  165.286   29.776 -14.38747 43.85439 
1 1 1    6    1   48 o   81.875   30.459   11.918   8.6325   14.535   11.725   8.8200   12.756   86.579   34.595   77.238   33.728 9.341698 48.31569 
1 1 1    6    2    0 o  473.720   8.1833  290.842   10.042  288.120   14.130  293.618   14.273  471.340   11.573  475.816   11.580 -4.475830 16.37213 
1 1 1    6    2    1 o  489.720   11.811  311.053   14.983  325.400   21.538  297.600   20.857  500.539   16.612  478.663   16.822 21.87567 23.64156 
1 1 1    6    2    2 f  788.822   14.117  807.580   28.845  800.900   40.583  814.400   41.006  784.734   19.965  791.314   20.005 -6.579407 28.26346 
1 1 1    6    2    3 o  389.080   11.296  196.339   11.385  214.000   16.557  180.500   15.680  405.936   15.746  372.779   16.238 33.15656 22.61901 
1 1 1    6    2    4 f  361.663   11.050  169.648   10.352  169.648   10.352   0.0000   0.0000  361.663   11.050  ?   ?  0.000000 11.04992 
1 1 1    6    2    5 o  489.870   8.2297  311.071   10.443  324.400   21.039  306.714   12.029  499.624   16.257  486.354   9.5484 13.26984 18.85364 
1 1 1    6    2    6 o  994.865   11.383  1284.29   29.335  1445.00   64.231  1241.93   32.974  1052.04   23.570  978.041   13.016 74.00232 26.92503 
1 1 1    6    2    7 o  423.675   9.2393  232.819   10.140  255.600   18.168  222.512   12.220  443.296   15.822  414.034   11.394 29.26215 19.49751 
1 1 1    6    2    8 o  328.189   8.9703  139.732   7.6257  168.800   13.937  127.311   9.1104  360.178   14.938  313.113   11.233 47.06445 18.69020 
1 1 1    6    2    9 o  113.768   9.6137   16.921   2.8066   18.896   4.0934   15.169   3.8555  119.780   13.424  107.022   14.263 12.75799 19.58646 
1 1 1    6    2   10 o  180.585   8.3431   42.317   3.9027   46.189   5.6317   38.740   5.4132  188.142   11.613  172.167   12.217 15.97490 16.85585 
1 1 1    6    2   11 o  297.331   11.439  114.911   8.8103  120.900   12.787  109.500   12.156  303.992   16.299  289.264   16.290 14.72842 23.04366 
1 1 1    6    2   12 o  519.495   12.282  350.809   16.527  332.000   22.862  371.400   23.920  504.430   17.497  533.565   17.307 -29.13510 24.61087 
1 1 1    6    2   13 o  479.974   8.5896  298.791   10.679  304.461   15.259  293.349   14.951  484.164   12.167  475.249   12.145 8.914948 17.19134 
1 1 1    6    2   14 o  449.572   12.108  262.342   14.100   0.0000   0.0000  262.342   14.100  ?   ?   449.572   12.108 0.000000 12.10795 
1 1 1    6    2   15 o  464.060   12.242  279.402   14.716   0.0000   0.0000  279.402   14.716  ?   ?   464.060   12.242 0.000000 12.24246 
1 1 1    6    2   16 o  631.118   13.304  516.773   21.749   0.0000   0.0000  516.773   21.749  ?   ?   631.118   13.304 0.000000 13.30389 
1 1 1    6    2   17 o  562.981   12.992  411.126   18.946   0.0000   0.0000  411.126   18.946  ?   ?   562.981   12.992 0.000000 12.99212 
1 1 1    6    2   18 o  649.109   13.749  546.615   23.117   0.0000   0.0000  546.615   23.117  ?   ?   649.109   13.749 0.000000 13.74905 
1 1 1    6    2   19 o  761.244   10.525  751.281   20.753  760.553   29.655  742.381   29.054  765.536   14.955  756.348   14.830 9.187744 21.06078 
1 1 1    6    2   20 o  165.834   13.145   35.901   5.6005   32.480   7.9537   39.265   7.8873  156.793   20.042  172.936   17.865 -16.14261 26.84842 
1 1 1    6    2   21 o  498.980   10.829  322.873   13.996  326.266   17.279  316.400   23.868  501.435   13.303  493.342   18.677 8.092194 22.93081 
1 1 1    6    2   22 o  443.386   13.339  255.153   15.320  256.300   21.636  254.000   21.696  443.918   18.816  441.908   18.954 2.009918 26.70710 
1 1 1    6    2   23 o  302.500   10.319  118.682   8.0857  115.006   11.504  122.271   11.368  297.171   14.993  306.841   14.302 -9.669495 20.72036 
1 1 1    6    2   24 o  520.609   9.6548  351.518   13.020  364.679   18.803  339.396   18.046  529.892   13.699  511.200   13.628 18.69150 19.32339 
1 1 1    6    2   25 o  375.926   14.030  183.644   13.662   0.0000   0.0000  183.644   13.662  ?   ?   375.926   14.030 0.000000 14.03032 
1 1 1    6    2   26 o  272.494   11.124   96.402   7.8516   89.746   11.068  103.144   11.140  262.044   16.388  281.141   15.355 -19.09625 22.45798 
1 1 1    6    2   27 o  227.489   12.089   67.439   7.0978   69.850   10.034   65.025   10.041  230.868   16.897  222.602   17.557 8.266541 24.36681 
1 1 1    6    2   28 o  213.925   12.634   59.738   6.9699   53.280   9.8138   66.311   9.9006  200.938   19.084  224.724   17.137 -23.78584 25.64943 
1 1 1    6    2   29 o  207.975   12.976   56.555   6.9553   66.766   10.256   47.858   9.4645  225.178   17.726  190.048   19.502 35.12927 26.35422 
1 1 1    6    2   30 o  171.979   14.743   38.926   6.5043   39.300   9.5000   38.596   8.9240  171.194   21.927  169.944   20.700 1.249893 30.15442 
1 1 1    6    2   31 o  282.431   22.159  106.400   16.081   0.0000   0.0000  106.400   16.081  ?   ?   282.431   22.159 0.000000 22.15855 
1 1 1    6    2   32 o  303.152   12.906  120.151   10.134  137.577   12.704   89.650   16.807  323.820   15.145  257.246   25.561 66.57440 29.71134 
1 1 1    6    2   33 o  188.128   14.595   46.730   7.0564   38.095   9.9752   55.379   9.9833  167.047   23.720  203.569   19.158 -36.52209 30.49016 
1 1 1    6    2   34 o  207.474   13.423   56.707   7.1752   62.393   10.462   51.657   9.8595  215.938   18.894  196.068   19.679 19.86974 27.28060 
1 1 1    6    2   35 o  168.970   23.286   39.268   9.9210   0.0000   0.0000   39.268   9.9210  ?   ?   168.970   23.286 0.000000 23.28570 
1 1 1    6    2   36 o  194.115   14.061   49.984   7.0223   52.704   9.9037   47.234   9.9585  197.191   19.651  185.980   21.042 11.21109 28.79108 
1 1 1    6    2   37 o  109.441   23.394   17.004   6.4310   17.294   9.2423   16.732   8.9542  108.121   31.243  106.521   30.743 1.599747 43.83219 
1 1 1    6    2   38 o  119.131   21.431   19.937   6.3700   27.057   9.7480   14.630   8.4154  135.642   28.643   99.550   30.087 36.09248 41.54092 
1 1 1    6    2   39 o  259.172   12.700   88.957   8.5260   94.997   12.509   83.716   11.652  264.101   18.400  247.941   18.272 16.16049 25.93053 
1 1 1    6    2   40 o  163.347   36.717   42.760   15.157   0.0000   0.0000   42.760   15.157  ?   ?   163.347   36.717 0.000000 36.71665 
1 1 1    6    2   41 o   70.914   30.250   2.8397   9.8017   2.8397   9.8017   0.0000   0.0000   70.914   30.250  ?   ?  0.000000 30.25018 
1 1 1    6    2   42 o  117.642   24.541   20.563   7.2364   12.840   11.104   26.264   9.5403   92.361   34.509  130.262   29.018 -37.90131 45.08798 
1 1 1    6    2   43 o  160.327   20.199   36.688   8.2024   28.170   11.841   44.547   11.373  128.764   34.711  171.602   26.436 -42.83734 43.63171 
1 1 1    6    2   44 o  184.276   18.100   47.873   8.5283   54.117   12.064   41.633   12.058  189.185   25.247  161.094   30.001 28.09129 39.21070 
1 1 1    6    2   45 o   65.242   27.094   4.1583   7.5352  -1.3069   10.449   10.080   10.877   63.146   28.808   82.533   33.199 -19.38707 43.95525 
1 1 1    6    2   46 o  141.638   21.393   29.887   7.6041   41.759   11.879   21.645   9.8976  158.599   30.015  110.394   32.456 48.20576 44.20774 
1 1 1    6    2   47 o   61.437   26.960   2.1195   8.2397   10.437   11.720  -6.0093   11.586   81.040   33.733   59.026   28.024 22.01434 43.85549 
1 1 1    6    2   48 o   80.334   31.959   11.399   9.9647   5.7709   12.240   22.460   17.159   72.355   32.249   96.154   40.474 -23.79841 51.75047 
1 1 1    6    3    0 o  894.789   15.215  1039.52   35.265  981.100   47.846  1109.00   52.181  868.264   21.274  923.009   21.825 -54.74554 30.47781 
1 1 1    6    3    1 o  1393.63   20.492  2526.88   73.975  2412.00   99.956  2666.00  109.996  1358.76   28.400  1427.92   29.739 -69.15710 41.12109 
1 1 1    6    3    2 o  451.474   16.623  264.800   19.440  264.800   19.440   0.0000   0.0000  451.474   16.623  ?   ?  0.000000 16.62313 
1 1 1    6    3    3 o  670.233   10.690  582.575   18.558  570.616   22.393  608.800   33.161  663.103   13.037  684.211   18.711 -21.10876 22.80479 
1 1 1    6    3    4 o  454.205   8.1504  267.414   9.5892  259.721   13.489  275.275   13.635  447.430   11.638  460.648   11.427 -13.21750 16.31033 
1 1 1    6    3    5 o  368.325   9.0606  175.904   8.6445  171.000   14.641  178.528   10.711  362.753   15.582  370.954   11.147 -8.201233 19.15818 
1 1 1    6    3    6 o  507.082   8.4151  333.397   11.053  360.000   22.596  325.029   12.673  526.080   16.582  500.581   9.7736 25.49915 19.24776 
1 1 1    6    3    7 o  524.432   8.5343  356.691   11.593  373.200   23.432  351.341   13.340  535.361   16.897  520.360   9.8973 15.00116 19.58238 
1 1 1    6    3    8 o  307.359   8.0441  122.531   6.4043  118.800   12.600  123.831   7.4367  301.545   16.190  308.909   9.2939 -7.364838 18.66811 
1 1 1    6    3    9 o  227.694   8.4075   67.272   4.9587   71.400   10.078   65.953   5.6959  233.342   16.786  225.379   9.7566 7.962799 19.41525 
1 1 1    6    3   10 o  296.763   11.331  114.473   8.7105  121.400   12.689  108.300   11.979  304.630   16.138  287.677   16.141 16.95401 22.82428 
1 1 1    6    3   11 o  434.285   8.3293  244.727   9.3699  251.792   13.464  238.092   13.048  440.094   11.811  427.960   11.770 12.13419 16.67439 
1 1 1    6    3   12 o  338.236   11.646  148.633   10.203  139.800   14.222  158.000   14.647  327.050   16.846  348.219   16.238 -21.16910 23.39763 
1 1 1    6    3   13 o  178.419   13.100   41.578   6.0119   0.0000   0.0000   41.578   6.0119  ?   ?   178.419   13.100 0.000000 13.09995 
1 1 1    6    3   14 o  694.226   13.625  625.832   24.501   0.0000   0.0000  625.832   24.501  ?   ?   694.226   13.625 0.000000 13.62483 
1 1 1    6    3   15 o  444.288   8.6777  255.868   9.9866  256.408   14.296  255.353   13.956  444.560   12.415  443.661   12.144 0.8990479 17.36697 
1 1 1    6    3   16 o  1007.68   11.697  1316.86   30.531  1306.95   43.004  1326.94   43.354  1003.21   16.549  1010.85   16.558 -7.640259 23.40975 
1 1 1    6    3   17 o  923.291   11.176  1105.32   26.728  1095.01   37.640  1115.81   37.959  918.452   15.821  927.137   15.806 -8.685303 22.36401 
1 1 1    6    3   18 o  781.222   10.462  791.211   21.171  803.493   30.348  779.568   29.548  786.870   14.889  775.084   14.717 11.78601 20.93546 
1 1 1    6    3   19 o  785.472   10.649  799.896   21.667  783.363   30.409  816.946   30.881  776.903   15.111  793.390   15.026 -16.48724 21.31012 
1 1 1    6    3   20 o  998.981   11.827  1294.31   30.605  1280.29   42.979  1308.74   43.593  992.867   16.711  1003.83   16.765 -10.96393 23.67134 
1 1 1    6    3   21 o  472.940   13.442  290.262   16.468  328.900   24.988  260.600   21.894  502.920   19.182  447.694   18.880 55.22589 26.91449 
1 1 1    6    3   22 o  427.450   13.380  237.156   14.815  246.300   20.888  227.900   21.015  435.180   18.530  418.527   19.384 16.65262 26.81659 
1 1 1    6    3   23 o  304.360   10.534  120.157   8.3047  125.545   12.021  115.237   11.487  310.874   14.928  297.840   14.889 13.03375 21.08347 
1 1 1    6    3   24 o  914.870   11.416  1086.19   27.053  1121.77   39.272  1054.05   37.319  928.771   16.324  900.370   16.001 28.40094 22.85868 
1 1 1    6    3   25 o  441.739   9.8640  253.156   11.287  260.450   16.343  246.505   15.606  447.663   14.094  435.541   13.833 12.12180 19.74812 
1 1 1    6    3   26 o  169.017   14.939   37.451   6.4730   42.166   9.4487   33.281   8.8857  178.479   20.830  157.998   22.334 20.48149 30.53973 
1 1 1    6    3   27 o  351.439   10.289  160.365   9.3668  173.270   13.618  148.779   12.904  364.868   14.409  338.061   14.736 26.80649 20.60988 
1 1 1    6    3   28 o  364.908   10.280  172.978   9.7164  179.287   14.091  167.260   13.416  370.927   14.666  358.300   14.455 12.62646 20.59224 
1 1 1    6    3   29 o  313.434   14.902  128.224   12.099   0.0000   0.0000  128.224   12.099  ?   ?   313.434   14.902 0.000000 14.90232 
1 1 1    6    3   30 o  271.614   11.562   96.090   8.1346   88.859   11.523  103.276   11.486  259.754   17.223  280.453   15.876 -20.69946 23.42368 
1 1 1    6    3   31 o  235.573   17.621   73.384   10.674   0.0000   0.0000   73.384   10.674  ?   ?   235.573   17.621 0.000000 17.62090 
1 1 1    6    3   32 o  384.758   12.470  193.457   12.428  194.029   15.193  192.300   21.608  384.476   15.255  379.424   22.081 5.052002 26.83799 
1 1 1    6    3   33 o  140.163   18.898   26.468   6.6862   21.168   9.6041   31.454   9.3139  121.910   30.492  151.158   24.636 -29.24792 39.20058 
1 1 1    6    3   34 o  146.632   16.973   28.795   6.3274   26.433   9.6144   30.600   8.4040  136.730   28.086  149.492   22.392 -12.76176 35.91970 
1 1 1    6    3   35 o  337.711   10.908  149.212   9.5417  157.166   13.690  141.698   13.306  344.909   15.323  327.340   15.693 17.56894 21.93331 
1 1 1    6    3   36 o  120.906   20.851   20.234   6.2944   28.587   9.1794   12.820   8.6477  142.101   25.892   95.299   30.764 46.80180 40.20996 
1 1 1    6    3   37 o  121.187   21.189   20.484   6.4092   28.651   9.5959   13.905   8.6118  140.982   27.263   97.885   30.595 43.09685 40.97943 
1 1 1    6    3   38 o  109.503   23.787   17.202   6.5539   9.8224   9.5523   23.765   9.0089   86.864   32.095  127.109   28.108 -40.24437 42.66328 
1 1 1    6    3   39 o  282.269   12.462  105.463   9.1114  118.426   13.195   93.647   12.597  295.739   17.299  261.926   18.690 33.81308 25.46721 
1 1 1    6    3   40 o  106.956   33.196   17.818   10.158   0.0000   0.0000   17.818   10.158  ?   ?   106.956   33.196 0.000000 33.19572 
1 1 1    6    3   41 o   67.593   26.774   4.7295   6.9658   20.588   9.9313 -10.6269   9.7728  114.015   32.207   52.649   25.202 61.36570 40.89546 
1 1 1    6    3   42 o  119.503   25.256   21.388   7.5734   10.772   10.566   32.603   10.860   87.149   33.412  144.637   29.972 -57.48844 44.88553 
1 1 1    6    3   43 o   83.884   29.056   10.723   7.6982   23.420   11.250  -0.4593   10.557  116.965   34.660   65.931   29.626 51.03396 45.59653 
1 1 1    6    3   44 o   89.225   29.068   12.782   7.7100   7.6947   11.443   17.013   10.434   79.636   33.256   99.438   33.850 -19.80112 47.45247 
1 1 1    6    3   45 o  104.839   28.588   18.068   7.9776   17.672   11.792   18.402   10.833   98.674   35.784  101.251   34.490 -2.576340 49.69965 
1 1 1    6    3   46 o   77.383   29.430   9.2157   8.1570   16.247   11.534   2.1803   11.537   94.089   35.167   69.221   31.047 24.86821 46.91117 
1 1 1    6    3   47 f  122.367   26.711   24.547   8.2290   19.392   11.839   29.364   11.446   98.793   35.851  125.004   34.308 -26.21034 49.62199 
1 1 1    6    3   48 o   98.527   33.249   19.132   10.066   11.933   12.751   31.040   16.399   81.496   34.627  110.553   41.805 -29.05745 54.28329 
1 1 1    6    4    0 o  241.278   12.182   75.719   7.5889   70.930   10.748   80.480   10.717  232.900   17.954  248.313   16.760 -15.41246 24.56106 
1 1 1    6    4    1 o  762.521   9.8158  753.906   19.388  767.000   39.663  749.796   22.224  767.752   19.944  760.300   11.284 7.451233 22.91521 
1 1 1    6    4    2 o  1275.66   13.503  2112.25   44.619  2093.64   62.589  2131.48   63.625  1268.65   19.046  1280.01   19.190 -11.36938 27.03699 
1 1 1    6    4    3 o  608.979   8.9392  480.807   14.101  477.198   19.885  484.458   20.000  606.375   12.660  610.973   12.637 -4.597656 17.88772 
1 1 1    6    4    4 f  420.913   8.1578  229.671   8.8943  216.278   12.388  243.923   12.778  408.255   11.714  433.587   11.378 -25.33157 16.33000 
1 1 1    6    4    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    4    6 o  918.520   12.574  1095.79   29.917  1115.00   52.271  1086.43   36.484  923.904   21.842  913.941   15.411 9.963135 26.73120 
1 1 1    6    4    7 o  588.797   10.351  450.029   15.787  531.800   29.401  416.901   18.714  638.645   17.773  566.377   12.756 72.26770 21.87671 
1 1 1    6    4    8 o  387.435   8.1957  194.737   8.2250  183.200   16.104  198.808   9.5668  374.810   16.587  391.357   9.4372 -16.54654 19.08410 
1 1 1    6    4    9 o  249.728   11.429   81.063   7.3934  103.900   11.195   63.400   9.8459  281.899   15.390  219.650   17.449 62.24872 23.26596 
1 1 1    6    4   10 o  666.222   9.4996  576.321   16.394  654.800   34.852  554.023   18.577  707.434   19.019  652.927   10.984 54.50696 21.96301 
1 1 1    6    4   11 o  582.560   8.9692  440.461   13.535  431.058   19.067  450.012   19.216  575.690   12.786  588.244   12.611 -12.55402 17.95894 
1 1 1    6    4   12 o  645.943   13.205  542.407   22.095  547.100   31.392  537.800   31.103  647.520   18.716  641.996   18.703 5.523865 26.45953 
1 1 1    6    4   13 o  252.942   12.028   83.066   7.8808   0.0000   0.0000   83.066   7.8808  ?   ?   252.942   12.028 0.000000 12.02818 
1 1 1    6    4   14 o  358.173   11.854  166.459   10.998   0.0000   0.0000  166.459   10.998  ?   ?   358.173   11.854 0.000000 11.85419 
1 1 1    6    4   15 o  274.038   12.194   97.417   8.6557   0.0000   0.0000   97.417   8.6557  ?   ?   274.038   12.194 0.000000 12.19393 
1 1 1    6    4   16 o  404.842   8.7224  212.426   9.1468  210.278   13.011  214.525   12.862  402.637   12.475  406.696   12.209 -4.058624 17.45515 
1 1 1    6    4   17 o  548.612   9.2464  390.110   13.140  403.777   18.968  377.500   18.220  557.920   13.125  539.466   13.039 18.45465 18.50043 
1 1 1    6    4   18 o  715.359   10.266  663.408   19.024  668.276   27.227  658.764   26.592  717.627   14.647  712.524   14.408 5.102966 20.54548 
1 1 1    6    4   19 o  348.975   14.120  158.024   12.764  158.024   12.764   0.0000   0.0000  348.975   14.120  ?   ?  0.000000 14.11983 
1 1 1    6    4   20 o  642.188   19.469  536.200   32.386   0.0000   0.0000  536.200   32.386  ?   ?   642.188   19.469 0.000000 19.46880 
1 1 1    6    4   21 o  596.200   11.293  461.030   17.441  495.100   31.503  445.973   20.943  616.930   19.714  586.176   13.793 30.75391 24.06009 
1 1 1    6    4   22 o  354.666   13.739  163.300   12.622  159.200   17.358  167.900   18.387  349.264   19.261  358.623   19.871 -9.358887 27.67389 
1 1 1    6    4   23 o  277.179   15.275  100.130   10.925   0.0000   0.0000  100.130   10.925  ?   ?   277.179   15.275 0.000000 15.27460 
1 1 1    6    4   24 o  869.342   11.161  980.745   25.132  990.922   35.919  970.985   35.178  872.960   15.885  864.170   15.715 8.790161 22.34484 
1 1 1    6    4   25 o  306.031   10.593  121.542   8.3970  119.458   11.772  123.701   11.981  303.090   14.994  308.424   14.997 -5.334808 21.20696 
1 1 1    6    4   26 o  248.547   16.430   80.804   10.518   0.0000   0.0000   80.804   10.518  ?   ?   248.547   16.430 0.000000 16.42978 
1 1 1    6    4   27 o  434.243   9.8903  244.811   11.125  241.733   15.811  247.829   15.655  430.960   14.164  436.408   13.849 -5.447968 19.80948 
1 1 1    6    4   28 o  345.417   10.481  155.031   9.3779  154.670   13.523  155.366   13.016  344.405   15.158  345.270   14.554 -0.8652649 21.01401 
1 1 1    6    4   29 o  429.713   10.045  240.032   11.181  236.783   16.121  243.043   15.520  425.927   14.612  431.684   13.880 -5.756805 20.15308 
1 1 1    6    4   30 o  226.938   24.953   69.280   14.426   0.0000   0.0000   69.280   14.426  ?   ?   226.938   24.953 0.000000 24.95324 
1 1 1    6    4   31 o  288.946   15.912  109.873   11.864   0.0000   0.0000  109.873   11.864  ?   ?   288.946   15.912 0.000000 15.91215 
1 1 1    6    4   32 o  269.241   14.076   95.240   9.7829   96.673   11.794   92.080   17.514  270.416   16.923  260.166   26.353 10.24921 31.31874 
1 1 1    6    4   33 o  240.460   12.744   75.905   7.9094   82.604   11.368   69.621   11.011  249.352   17.716  228.457   18.773 20.89491 25.81281 
1 1 1    6    4   34 o  377.522   10.485  186.136   10.253  194.090   14.902  178.987   14.128  383.841   14.988  368.684   14.794 15.15619 21.05933 
1 1 1    6    4   35 o  218.398   13.140   62.928   7.3988   59.357   10.371   66.629   10.558  209.877   19.293  222.808   18.460 -12.93137 26.70241 
1 1 1    6    4   36 o  123.448   19.741   20.965   6.0998   21.881   8.9957   20.186   8.2991  122.698   28.798  118.210   27.604 4.487846 39.89132 
1 1 1    6    4   37 o  285.889   11.394  107.462   8.4373  116.682   12.571   99.903   11.382  295.069   16.513  273.162   16.158 21.90683 23.10332 
1 1 1    6    4   38 o   92.300   24.850   12.340   6.0731   11.235   8.5737   13.452   8.6037   89.329   30.679   95.790   30.661 -6.460457 43.37428 
1 1 1    6    4   39 o   95.314   27.041   13.417   6.9851   10.342   8.2398   21.270   13.168   85.980   30.045  115.455   38.007 -29.47478 48.44791 
1 1 1    6    4   40 o   53.386   24.922  -6.1138   8.4979   0.0000   0.0000  -6.1138   8.4979  ?   ?    53.386   24.922 0.000000 24.92228 
1 1 1    6    4   41 o  104.714   25.584   16.400   6.8801   17.304   9.1894   15.246   10.379  104.950   31.378   98.785   33.759 6.164856 46.08933 
1 1 1    6    4   42 o  254.759   13.127   87.190   8.6330   88.159   11.880   86.106   12.567  251.952   18.329  247.656   19.754 4.295593 26.94733 
1 1 1    6    4   43 o  148.055   20.580   31.544   7.6791   30.202   10.223   33.282   11.632  137.910   29.511  142.358   32.288 -4.448257 43.74219 
1 1 1    6    4   44 f   68.473   26.898   5.8213   6.9759   7.4828   9.3939   3.7785   10.416   76.246   30.789   71.077   30.761 5.169647 43.52225 
1 1 1    6    4   45 o   72.958   27.790   7.5800   7.2802   8.6129   9.5850   6.1716   11.192   77.972   31.235   75.447   32.258 2.524055 44.90256 
1 1 1    6    4   46 o   66.189   26.716   5.3388   7.0698   12.821   11.181   0.3544   9.1257   86.539   34.034   61.281   27.540 25.25868 43.78070 
1 1 1    6    4   47 o  107.655   29.420   20.198   8.4379   10.365   11.714   30.801   12.164   80.368   33.612  125.805   35.682 -45.43726 49.02043 
1 1 1    6    4   48 o  113.058   44.880   37.460   19.612   37.460   19.612   0.0000   0.0000  113.058   44.880  ?   ?  0.000000 44.88041 
1 1 1    6    5    0 o  464.015   9.5373  279.192   11.463  321.800   21.703  262.705   13.500  497.537   16.840  449.979   11.582 47.55826 20.43865 
1 1 1    6    5    1 o  741.417   9.7529  712.851   18.730  705.255   26.313  720.654   26.668  736.988   13.783  744.986   13.820 -7.997681 19.51824 
1 1 1    6    5    2 o  941.375   11.062  1149.70   26.974  1133.31   37.755  1166.79   38.552  933.854   15.608  947.530   15.707 -13.67529 22.14349 
1 1 1    6    5    3 o  486.057   8.4481  306.302   10.636  298.862   14.934  313.962   15.153  479.860   12.015  491.844   11.894 -11.98340 16.90602 
1 1 1    6    5    4 o  553.625   12.460  397.959   17.868  397.959   17.868   0.0000   0.0000  553.625   12.460  ?   ?  0.000000 12.45977 
1 1 1    6    5    5 f  404.311   8.2942  211.981   8.6864  205.756   12.171  218.444   12.401  398.074   11.804  410.176   11.671 -12.10156 16.59988 
1 1 1    6    5    6 o  262.585   8.4066   89.436   5.7180   87.059   8.1932   91.693   7.9837  258.857   12.219  265.698   11.600 -6.840790 16.84856 
1 1 1    6    5    7 o  332.465   16.420  144.100   14.141  144.100   14.141   0.0000   0.0000  332.465   16.420  ?   ?  0.000000 16.42000 
1 1 1    6    5    8 o   57.781   19.890   3.9768   3.6046   6.8110   5.8794   2.2700   4.5627   74.666   25.409   55.124   21.722 19.54203 33.42835 
1 1 1    6    5    9 o  494.262   10.156  317.335   13.002  379.200   23.877  291.257   15.502  538.839   17.107  473.133   12.649 65.70544 21.27522 
1 1 1    6    5   10 f  465.073   8.6369  280.707   10.405  279.800   20.699  281.014   12.036  462.905   17.263  465.167   9.9889 -2.261780 19.94455 
1 1 1    6    5   11 o  772.420   11.884  775.369   23.778  1011.00   48.504  700.826   27.281  878.707   21.310  733.780   14.353 144.9266 25.69282 
1 1 1    6    5   12 o  406.839   11.965  214.957   12.609  217.600   17.981  212.400   17.687  408.766   16.982  403.862   16.908 4.904022 23.96376 
1 1 1    6    5   13 o  268.733   8.7799   93.642   6.1116   88.634   8.6619   98.607   8.6246  261.275   12.799  275.621   12.080 -14.34558 17.59935 
1 1 1    6    5   14 o  544.482   9.0389  384.342   12.748  392.602   18.362  376.655   17.712  550.021   12.888  538.751   12.692 11.27002 18.08879 
1 1 1    6    5   15 o  483.495   12.403  303.242   15.534   0.0000   0.0000  303.242   15.534  ?   ?   483.495   12.403 0.000000 12.40308 
1 1 1    6    5   16 o  290.683   9.1155  109.522   6.8636  116.476   10.092  103.536   9.3626  299.649   13.002  282.521   12.794 17.12839 18.24057 
1 1 1    6    5   17 o  432.786   12.720  242.944   14.259   0.0000   0.0000  242.944   14.259  ?   ?   432.786   12.720 0.000000 12.71958 
1 1 1    6    5   18 o  868.027   11.121  976.967   25.005  997.051   36.062  958.369   34.702  876.387   15.886  859.255   15.591 17.13196 22.25859 
1 1 1    6    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5   20 o  824.150   15.219  881.866   32.488  917.400   47.528  850.700   44.511  839.493   21.857  808.510   21.254 30.98236 30.48656 
1 1 1    6    5   21 o  388.671   9.6054  195.864   9.6704  200.694   14.016  191.475   13.360  393.211   13.761  384.094   13.428 9.117188 19.22694 
1 1 1    6    5   22 o  227.554   16.287   67.637   9.5365   71.980   13.335   63.090   13.644  233.952   22.273  218.514   24.528 15.43776 33.13208 
1 1 1    6    5   23 o  464.695   13.642  280.436   16.420   0.0000   0.0000  280.436   16.420  ?   ?   464.695   13.642 0.000000 13.64157 
1 1 1    6    5   24 o  316.782   14.624  130.428   12.000   0.0000   0.0000  130.428   12.000  ?   ?   316.782   14.624 0.000000 14.62430 
1 1 1    6    5   25 o  277.952   11.173  100.295   8.0445  105.610   11.620   95.403   11.148  284.451   15.833  270.290   15.994 14.16141 22.50547 
1 1 1    6    5   26 o  502.305   9.7547  327.459   12.692  332.480   18.105  322.607   17.798  505.613   13.824  498.053   13.796 7.559631 19.52968 
1 1 1    6    5   27 o  600.429   10.092  468.151   15.696  475.620   22.504  461.076   21.903  604.382   14.375  595.106   14.209 9.276001 20.21210 
1 1 1    6    5   28 o  256.039   11.769   85.273   7.8056   88.490   11.256   82.293   10.833  259.712   16.822  250.417   16.799 9.294418 23.77374 
1 1 1    6    5   29 o  298.374   15.477  116.667   11.921   0.0000   0.0000  116.667   11.921  ?   ?   298.374   15.477 0.000000 15.47747 
1 1 1    6    5   30 o  269.888   16.886   95.935   11.745   83.960   18.315  104.300   15.307  248.352   29.017  280.123   21.254 -31.77069 35.96859 
1 1 1    6    5   31 o  254.858   13.565   85.193   8.9230   88.690   14.184   82.903   11.479  257.676   21.446  250.262   17.824 7.413589 27.88595 
1 1 1    6    5   32 o   83.905   25.100   9.6103   5.8790   18.464   8.7316   2.2681   7.9514  114.292   29.343   67.604   27.933 46.68713 40.51272 
1 1 1    6    5   33 o   94.649   25.471   12.538   6.3822   11.520   9.1708   13.494   8.8873   93.411   31.734   98.764   31.115 -5.352608 44.44334 
1 1 1    6    5   34 o  335.637   10.922  147.276   9.4956  142.900   13.659  151.369   13.210  328.844   16.036  338.850   15.050 -10.00616 21.99188 
1 1 1    6    5   35 o  331.680   11.005  144.052   9.4549  145.751   13.472  142.403   13.272  331.774   15.677  327.965   15.623 3.808716 22.13233 
1 1 1    6    5   36 o  203.262   13.955   54.850   7.3031   72.962   10.615   38.571   10.063  232.908   17.728  166.162   24.083 66.74600 29.90435 
1 1 1    6    5   37 o  161.807   17.221   35.469   7.1067   19.122   10.238   50.668   9.8725  112.583   32.985  192.264   20.122 -79.68098 38.63774 
1 1 1    6    5   38 f  323.625   11.476  138.055   9.6199  151.562   13.897  125.627   13.330  336.364   15.950  305.186   16.929 31.17743 23.25904 
1 1 1    6    5   39 o  191.814   17.975   50.298   8.8270   37.495   11.060   72.760   14.650  159.720   27.740  225.364   25.547 -65.64325 37.71108 
1 1 1    6    5   40 o  430.687   12.628  246.508   14.088  256.300   24.782  241.832   17.125  427.093   22.480  423.756   15.601 3.336487 27.36294 
1 1 1    6    5   41 o  166.219   18.181   38.310   7.7002   45.700   11.653   32.581   10.259  175.740   26.415  146.822   27.998 28.91840 38.49217 
1 1 1    6    5   42 o  124.260   24.657   23.062   7.6561   27.746   11.309   19.099   10.403  129.689   33.446  107.373   33.637 22.31526 47.43511 
1 1 1    6    5   43 o   81.717   28.348   10.162   7.3291   17.413   11.257   4.8266   9.6563  100.778   35.122   72.096   30.356 28.68124 46.42234 
1 1 1    6    5   44 o   82.578   29.125   10.702   7.7538   12.930   10.944   8.4556   10.987   88.999   34.032   79.961   32.915 9.038414 47.34557 
1 1 1    6    5   45 o  185.595   17.215   48.691   8.1818   39.868   11.732   57.043   11.416  155.178   30.275  194.825   23.069 -39.64674 38.06244 
1 1 1    6    5   46 o   67.302   28.009   5.1098   8.0775   6.0550   11.280   4.1150   11.572   74.012   32.022   71.509   31.641 2.502235 45.01698 
1 1 1    6    5   47 o  105.532   28.451   19.207   7.9545   16.378   12.303   21.238   10.427   91.038   35.734  104.969   33.770 -13.93147 49.16645 
1 1 1    6    6    0 f  392.452   16.272  200.300   16.541  200.300   16.541   0.0000   0.0000  392.452   16.272  ?   ?  0.000000 16.27161 
1 1 1    6    6    1 o  619.283   9.1505  497.366   14.679  470.725   20.214  527.087   21.350  602.067   12.962  637.095   12.937 -35.02832 18.31331 
1 1 1    6    6    2 o  919.484   10.966  1097.18   26.119  1095.84   36.949  1098.52   36.926  917.998   15.539  919.123   15.510 -1.125793 21.95482 
1 1 1    6    6    3 o  418.798   8.3727  227.443   9.0828  217.154   12.752  238.037   12.940  408.943   12.038  428.189   11.667 -19.24527 16.76414 
1 1 1    6    6    4 o  287.598   16.044  108.000   11.904  108.000   11.904   0.0000   0.0000  287.598   16.044  ?   ?  0.000000 16.04354 
1 1 1    6    6    5 o  350.068   11.392  159.174   10.330  147.800   14.439  171.100   14.785  336.793   16.551  362.472   15.747 -25.67950 22.84491 
1 1 1    6    6    6 o  351.818   11.591  160.849   10.563  154.800   15.000  166.800   14.878  344.502   16.809  357.716   16.057 -13.21365 23.24577 
1 1 1    6    6    7 o  821.956   10.462  877.667   22.276  855.416   31.028  901.335   32.000  810.252   14.783  831.691   14.854 -21.43909 20.95693 
1 1 1    6    6    8 o  425.859   17.197  236.900   18.970  236.900   18.970   0.0000   0.0000  425.859   17.197  ?   ?  0.000000 17.19662 
1 1 1    6    6    9 o  235.363   8.9166   71.909   5.4361   80.660   11.177   69.197   6.2215  247.872   17.521  230.789   10.407 17.08333 20.37868 
1 1 1    6    6   10 o  805.305   10.341  842.232   21.571  931.700   46.016  817.036   24.420  843.369   21.064  792.818   11.891 50.55151 24.18864 
1 1 1    6    6   11 o  694.066   13.892  626.459   24.976   0.0000   0.0000  626.459   24.976  ?   ?   694.066   13.892 0.000000 13.89240 
1 1 1    6    6   12 o  321.697   10.535  134.289   8.7786  205.400   16.168  104.563   10.454  397.397   15.707  283.285   14.292 114.1118 21.23622 
1 1 1    6    6   13 o  329.578   9.1193  140.840   7.7852  167.200   16.443  133.223   8.8387  358.542   17.705  320.478   10.647 38.06488 20.65985 
1 1 1    6    6   14 o  532.479   9.0536  367.556   12.487  370.107   17.904  365.139   17.426  534.068   12.942  530.491   12.681 3.576355 18.11923 
1 1 1    6    6   15 o  1181.10   12.982  1809.76   39.716  1873.11   57.922  1753.54   54.564  1200.54   18.626  1161.69   18.133 38.84448 25.99457 
1 1 1    6    6   16 o  731.742   10.099  694.145   19.142  691.745   27.165  696.512   26.979  730.122   14.363  732.648   14.216 -2.526062 20.20890 
1 1 1    6    6   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    6   18 o  721.765   10.393  675.393   19.430  667.654   27.577  683.022   27.381  717.237   14.844  725.472   14.571 -8.235291 20.80001 
1 1 1    6    6   19 o  1154.48   25.873  1738.00   77.372   0.0000   0.0000  1738.00   77.372  ?   ?   1154.48   25.873 0.000000 25.87289 
1 1 1    6    6   20 o  336.287   11.443  146.682   9.9676  124.700   18.215  156.078   11.909  308.549   22.954  346.805   13.257 -38.25586 26.50754 
1 1 1    6    6   21 f  470.876   10.965  287.592   13.374  295.200   23.497  283.946   16.266  476.353   19.043  467.708   13.427 8.644501 23.30019 
1 1 1    6    6   22 o  533.729   11.449  369.608   15.829  373.121   19.696  363.200   26.599  536.002   14.186  528.191   19.441 7.811768 24.06666 
1 1 1    6    6   23 o  478.076   9.8059  296.452   12.143  301.323   17.786  292.200   16.619  481.592   14.258  474.319   13.527 7.272766 19.65349 
1 1 1    6    6   24 o  608.860   9.9874  480.958   15.751  495.407   22.873  467.925   21.723  617.377   14.303  600.056   13.976 17.32031 19.99740 
1 1 1    6    6   25 o  391.071   10.056  198.474   10.187  215.796   14.987  183.597   13.889  407.373   14.203  375.747   14.270 31.62616 20.13293 
1 1 1    6    6   26 o  136.455   18.174   24.718   6.2640   28.710   9.1112   21.141   8.6260  145.865   25.015  124.316   27.515 21.54837 37.18618 
1 1 1    6    6   27 f  264.676   11.034   91.035   7.5648   82.242   10.624  100.078   10.775  250.529   16.462  276.705   15.090 -26.17622 22.33157 
1 1 1    6    6   28 o  491.810   13.970  315.316   17.796   0.0000   0.0000  315.316   17.796  ?   ?   491.810   13.970 0.000000 13.96955 
1 1 1    6    6   29 o  249.374   11.469   80.975   7.4082   93.566   10.351   67.755   10.607  267.142   15.020  226.488   18.234 40.65419 23.62376 
1 1 1    6    6   30 o  146.254   21.779   28.915   7.9990   14.880   14.945   34.549   9.4696  110.557   40.256  159.597   23.620 -49.03995 46.67329 
1 1 1    6    6   31 o  326.490   15.306  139.889   12.944  143.500   17.388  135.400   19.386  328.365   20.546  317.502   23.744 10.86310 31.39974 
1 1 1    6    6   32 o  188.445   14.831   46.914   7.1808   41.192   10.081   52.807   10.231  174.106   22.909  198.415   20.188 -24.30922 30.53489 
1 1 1    6    6   33 o  142.215   18.835   27.292   6.7677   27.623   9.7613   26.986   9.3912  140.018   27.893  138.630   27.124 1.388229 38.90701 
1 1 1    6    6   34 o  143.488   18.008   27.768   6.5457   35.241   9.6709   21.450   8.8922  159.638   24.141  122.407   28.566 37.23062 37.40078 
1 1 1    6    6   35 o  145.503   17.717   28.613   6.5395   22.424   9.0351   35.422   9.4774  124.622   28.596  159.756   23.614 -35.13384 37.08559 
1 1 1    6    6   36 o  140.187   18.987   26.879   6.7173   22.113   9.5541   31.537   9.4462  122.391   30.298  149.208   25.348 -26.81720 39.50303 
1 1 1    6    6   37 o  301.449   11.609  119.677   9.0650  124.013   13.224  115.833   12.451  303.653   16.879  293.726   16.431 9.927246 23.55546 
1 1 1    6    6   38 o   66.453   25.979   4.4765   6.4817   6.6002   9.3199   2.4871   9.0205   78.456   31.004   69.192   29.247 9.264030 42.62162 
1 1 1    6    6   39 o  127.833   32.614   25.437   10.835   28.740   16.831   23.100   14.158  129.242   42.989  118.625   39.426 10.61651 58.33074 
1 1 1    6    6   40 o  112.325   28.594   19.242   8.3411   20.590   13.302   18.369   10.708  111.890   38.219  107.447   34.185 4.442734 51.27715 
1 1 1    6    6   41 o  114.818   25.717   19.793   7.4586   32.454   10.931   8.7614   10.203  144.538   30.170   82.679   32.513 61.85921 44.35465 
1 1 1    6    6   42 f  147.718   21.132   31.407   7.8556   31.291   11.389   31.512   10.850  138.608   32.316  140.611   30.653 -2.003128 44.54150 
1 1 1    6    6   43 o  156.747   20.616   35.499   8.1675   39.684   11.523   31.275   11.578  158.219   29.192  136.194   33.136 22.02554 44.16055 
1 1 1    6    6   44 o  102.491   27.522   16.958   7.4608   11.101   10.833   22.243   10.290   84.687   33.438  112.801   33.074 -28.11451 47.03204 
1 1 1    6    6   45 o   96.559   29.372   15.738   8.0010   21.663   10.925   8.8842   11.750  108.444   34.533   80.084   33.590 28.36045 48.17495 
1 1 1    6    6   46 o   94.885   28.160   15.245   7.4214   11.682   10.721   18.522   10.283   83.300   33.146   99.579   33.606 -16.27877 47.20184 
1 1 1    6    6   47 o  170.781   22.895   45.293   9.8730   44.827   11.740   46.420   18.245  162.303   28.989  136.466   44.728 25.83617 53.30127 
1 1 1    6    7    0 o  534.676   10.213  371.018   14.144  368.036   17.414  376.800   24.249  532.233   12.631  537.775   17.407 -5.541382 21.50733 
1 1 1    6    7    1 o  575.667   10.381  430.136   15.479  433.606   19.205  423.700   26.152  577.654   12.835  570.166   17.707 7.487915 21.86979 
1 1 1    6    7    2 o  560.805   10.308  408.243   14.975  410.123   18.526  404.700   25.433  561.764   12.732  557.167   17.622 4.597229 21.74002 
1 1 1    6    7    3 o  639.337   10.758  530.776   17.816  533.314   22.046  526.000   30.248  640.425   13.290  634.867   18.393 5.558228 22.69190 
1 1 1    6    7    4 o  574.343   9.0629  428.093   13.483  423.285   19.004  432.966   19.133  570.527   12.859  577.025   12.801 -6.498108 18.14424 
1 1 1    6    7    5 o  666.710   9.5511  577.109   16.495  563.365   23.100  591.406   23.560  657.908   13.555  674.098   13.493 -16.18976 19.12589 
1 1 1    6    7    6 o  545.443   9.0421  386.219   12.775  383.861   18.129  388.546   18.005  543.122   12.886  546.459   12.720 -3.337219 18.10687 
1 1 1    6    7    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7    8 o  258.658   9.4826   86.877   6.3534   84.673   9.3542   88.764   8.6563  254.551   14.244  261.174   12.795 -6.623718 19.14705 
1 1 1    6    7    9 o  358.895   17.651  168.200   16.409  168.200   16.409   0.0000   0.0000  358.895   17.651  ?   ?  0.000000 17.65098 
1 1 1    6    7   10 o  554.220   10.554  398.811   15.151   0.0000   0.0000  398.811   15.151  ?   ?   554.220   10.554 0.000000 10.55377 
1 1 1    6    7   11 o  800.581   12.091  832.332   25.074  950.700   47.074  785.448   29.626  853.216   21.300  777.206   14.716 76.00952 25.88882 
1 1 1    6    7   12 o  381.740   18.644  189.700   18.436  189.700   18.436   0.0000   0.0000  381.740   18.644  ?   ?  0.000000 18.64396 
1 1 1    6    7   13 o  841.130   10.754  917.591   23.430  997.800   49.515  894.451   26.596  875.225   21.841  830.270   12.366 44.95551 25.09863 
1 1 1    6    7   14 o  776.630   12.123  782.374   24.388  946.000   47.225  722.864   28.480  852.612   21.383  746.237   14.734 106.3750 25.96762 
1 1 1    6    7   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7   16 o  526.319   9.4497  359.072   12.883  359.971   18.329  358.194   18.111  526.753   13.433  525.459   13.306 1.293884 18.90809 
1 1 1    6    7   17 o  873.785   11.235  990.024   25.428  986.215   35.941  993.841   35.981  871.580   15.920  874.949   15.876 -3.368652 22.48297 
1 1 1    6    7   18 o  622.081   9.9431  501.696   16.022  497.191   22.761  506.120   22.558  618.968   14.196  624.523   13.945 -5.555054 19.89921 
1 1 1    6    7   19 o  1662.61   23.906  3602.19  102.956  3691.00  149.461  3522.00  142.028  1677.49   34.397  1639.20   33.450 38.29285 47.97945 
1 1 1    6    7   20 o  735.474   10.346  701.463   19.711  692.681   27.876  710.245   27.875  730.381   14.734  739.607   14.550 -9.225403 20.70739 
1 1 1    6    7   21 o  994.915   13.730  1285.17   35.383  1244.00   59.470  1307.73   44.022  976.534   23.511  1002.97   16.945 -26.43085 28.98062 
1 1 1    6    7   22 o  447.297   9.7738  259.486   11.324  270.884   16.558  249.471   15.522  456.682   13.998  438.289   13.672 18.39316 19.56667 
1 1 1    6    7   23 o  320.500   14.573  133.500   12.098   0.0000   0.0000  133.500   12.098  ?   ?   320.500   14.573 0.000000 14.57279 
1 1 1    6    7   24 o  664.460   14.353  573.997   24.703   0.0000   0.0000  573.997   24.703  ?   ?   664.460   14.353 0.000000 14.35288 
1 1 1    6    7   25 o  287.781   11.150  107.546   8.3119  125.097   12.528   93.747   11.109  309.588   15.674  267.830   16.087 41.75842 22.46026 
1 1 1    6    7   26 o  508.997   9.9766  336.376   13.154  341.174   19.116  332.062   18.128  511.925   14.416  505.142   13.854 6.783112 19.99378 
1 1 1    6    7   27 o  256.485   11.723   85.549   7.7887   94.403   11.639   78.369   10.481  268.338   16.830  244.428   16.654 23.91051 23.67715 
1 1 1    6    7   28 o  293.707   11.178  112.230   8.5038  106.852   12.493  116.873   11.608  285.255   16.985  298.806   15.046 -13.55139 22.69033 
1 1 1    6    7   29 o  457.512   14.722  273.669   17.447  289.100   27.067  262.700   22.820  467.373   22.358  446.583   19.727 20.79050 29.81655 
1 1 1    6    7   30 o  298.009   11.542  115.814   8.9095  109.753   12.722  121.648   12.481  288.444   17.104  304.090   15.900 -15.64569 23.35301 
1 1 1    6    7   31 o  121.693   29.036   20.893   9.0252   31.130   11.712   5.9270   14.161  148.245   31.473   91.735   37.519 56.50975 48.97184 
1 1 1    6    7   32 o  423.066   10.485  233.518   11.490  233.006   16.340  234.018   16.160  421.003   14.984  421.998   14.784 -0.9956665 21.04930 
1 1 1    6    7   33 o  143.113   18.745   27.654   6.7818   21.740   9.7913   33.108   9.4023  122.915   30.812  154.874   24.231 -31.95931 39.19851 
1 1 1    6    7   34 o  383.048   10.653  191.904   10.570  199.229   15.436  185.435   14.505  388.260   15.348  374.774   14.941 13.48572 21.41977 
1 1 1    6    7   35 f  169.555   15.370   38.404   6.6773   33.826   8.9880   44.044   9.9752  156.168   22.899  178.983   21.978 -22.81480 31.73927 
1 1 1    6    7   36 o  173.477   15.808   40.401   7.0254   38.541   10.041   42.186   9.8330  165.663   24.107  174.386   22.277 -8.723679 32.82406 
1 1 1    6    7   37 o   90.810   26.009   11.963   6.4309   19.657   9.4921   5.4361   8.7434  114.084   31.215   74.866   29.888 39.21851 43.21692 
1 1 1    6    7   38 o  161.458   17.169   35.540   7.0704   35.365   10.366   35.693   9.6682  155.902   26.626  157.977   24.414 -2.074890 36.12458 
1 1 1    6    7   39 o  249.737   16.643   84.640   10.704  111.200   20.177   74.236   12.628  274.623   28.792  230.425   21.402 44.19849 35.87535 
1 1 1    6    7   40 o  126.722   26.884   24.076   8.5512   21.570   10.947   28.000   13.696  115.493   34.183  128.540   38.280 -13.04655 51.32111 
1 1 1    6    7   41 o  228.326   14.863   70.727   8.7427   68.473   12.335   73.002   12.393  218.846   22.060  226.667   21.360 -7.821014 30.70675 
1 1 1    6    7   42 o  136.391   23.230   27.487   7.9130   40.544   11.343   15.107   11.045  161.976   28.050   95.900   34.654 66.07601 44.58338 
1 1 1    6    7   43 f   99.171   28.866   15.979   7.8639   12.967   11.187   18.921   11.057   89.627   34.375  103.672   34.847 -14.04472 48.94829 
1 1 1    6    7   44 o  129.889   26.401   26.603   8.5799   27.984   12.024   25.171   12.247  123.646   35.608  115.875   36.527 7.771072 51.01181 
1 1 1    6    7   45 o   92.969   29.152   14.627   7.8117   18.836   11.851   11.394   10.388   99.511   35.905   83.495   32.816 16.01588 48.64218 
1 1 1    6    7   46 o   92.614   30.700   15.284   8.5865   29.952   12.269   1.2040   12.021  123.778   36.063   67.642   30.875 56.13601 47.47425 
1 1 1    6    7   47 o   64.564   28.743   2.9283   9.6942  -2.6827   12.248   12.340   15.862   62.428   29.390   83.085   36.890 -20.65705 47.16586 
1 1 1    6    8    0 o   95.616   15.456   12.211   3.6974   7.0316   5.2993   17.124   5.1614   74.282   24.093  113.115   18.235 -38.83276 30.21633 
1 1 1    6    8    1 f  542.430   9.0128  381.870   12.663  385.639   18.021  378.194   17.799  544.526   12.777  539.250   12.742 5.275879 18.04450 
1 1 1    6    8    2 o  561.740   9.1142  409.595   13.262  408.511   18.754  410.680   18.756  560.368   12.921  561.860   12.887 -1.491943 18.24866 
1 1 1    6    8    3 o  917.088   11.077  1093.01   26.314  1073.16   36.774  1113.84   37.668  907.182   15.649  924.186   15.735 -17.00385 22.19211 
1 1 1    6    8    4 o  590.935   13.159  454.547   20.142  454.547   20.142   0.0000   0.0000  590.935   13.159  ?   ?  0.000000 13.15878 
1 1 1    6    8    5 o  510.441   8.9839  338.269   11.879  332.746   16.853  343.721   16.745  505.616   12.868  513.943   12.578 -8.327484 17.99429 
1 1 1    6    8    6 o  548.996   9.1792  391.345   13.053  390.103   18.497  392.577   18.424  547.418   13.045  549.171   12.952 -1.752869 18.38223 
1 1 1    6    8    7 o  260.691   9.5036   88.248   6.4175   81.409   9.2240   94.664   8.9342  249.568   14.329  269.716   12.788 -20.14871 19.20526 
1 1 1    6    8    8 o  277.564   13.552  100.266   9.7436  100.266   9.7436   0.0000   0.0000  277.564   13.552  ?   ?  0.000000 13.55207 
1 1 1    6    8    9 o  531.147   10.866  366.362   14.950  343.200   26.083  377.696   18.245  512.532   19.646  538.979   13.068 -26.44647 23.59568 
1 1 1    6    8   10 o  463.672   13.325  279.384   16.004  286.300   22.272  272.000   23.011  468.673   18.346  456.639   19.454 12.03464 26.74014 
1 1 1    6    8   11 o  622.022   9.5543  501.815   15.394  504.000   31.004  501.101   17.735  622.038   19.242  621.435   11.017 0.6027832 22.17300 
1 1 1    6    8   12 o  343.885   10.822  153.389   9.6395  203.500   17.669  132.152   11.502  395.641   17.241  319.037   13.918 76.60327 22.15757 
1 1 1    6    8   13 o  591.603   13.559  454.208   20.778   0.0000   0.0000  454.208   20.778  ?   ?   591.603   13.559 0.000000 13.55854 
1 1 1    6    8   14 o  458.344   9.3706  272.324   11.125  317.800   23.241  258.806   12.671  494.539   18.143  446.751   10.950 47.78732 21.19121 
1 1 1    6    8   15 o  1031.97   12.124  1381.24   32.408  1433.00   66.338  1365.01   37.142  1048.88   24.417  1025.65   13.980 23.22144 28.13596 
1 1 1    6    8   16 o  632.229   12.016  518.401   19.678  625.200   36.730  475.409   23.304  693.405   20.450  605.226   14.865 88.17889 25.28162 
1 1 1    6    8   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8   18 o  963.688   16.608  1206.30   41.457  1277.00   61.381  1147.00   56.216  989.977   23.936  938.422   23.127 51.55481 33.28360 
1 1 1    6    8   19 o  1001.14   11.919  1300.23   30.910  1306.91   44.042  1293.76   43.392  1002.87   16.954  997.844   16.788 5.026001 23.85921 
1 1 1    6    8   20 o  669.489   14.307  582.010   24.811   0.0000   0.0000  582.010   24.811  ?   ?   669.489   14.307 0.000000 14.30732 
1 1 1    6    8   21 o  532.527   13.519  368.223   18.648  390.200   26.973  348.100   25.810  547.507   19.019  517.093   19.270 30.41351 27.07505 
1 1 1    6    8   22 f  428.764   9.9244  238.464   11.022  237.349   15.704  239.546   15.475  427.419   14.184  429.418   13.912 -1.999512 19.86786 
1 1 1    6    8   23 o  670.715   14.411  584.758   25.038   0.0000   0.0000  584.758   25.038  ?   ?   670.715   14.411 0.000000 14.41138 
1 1 1    6    8   24 o  647.550   10.199  544.208   17.108  547.502   24.527  541.088   23.874  648.805   14.594  645.049   14.289 3.755554 20.42432 
1 1 1    6    8   25 o  347.998   10.518  157.245   9.4813  161.713   13.854  153.309   13.004  352.423   15.176  343.208   14.627 9.215057 21.07755 
1 1 1    6    8   26 o  247.890   12.155   79.905   7.8046   80.894   11.569   79.078   10.573  248.174   18.121  245.613   16.719 2.560638 24.65539 
1 1 1    6    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8   28 o  263.628   11.964   90.522   8.1699  106.067   12.166   77.755   11.026  284.159   16.601  242.914   17.644 41.24500 24.22581 
1 1 1    6    8   29 o  163.919   20.466   36.004   8.5006   36.100   16.993   35.972   9.8174  157.838   41.142  162.856   23.991 -5.018127 47.62643 
1 1 1    6    8   30 o   92.197   25.623   11.758   6.3393   10.111   9.0480   13.346   8.8844   89.974   31.481   98.942   31.100 -8.967934 44.25241 
1 1 1    6    8   31 o  315.057   16.041  130.962   13.048  149.200   18.028  110.900   18.908  334.229   20.929  285.661   25.832 48.56827 33.24660 
1 1 1    6    8   32 o  367.054   10.992  175.986   10.451  190.105   15.172  163.240   14.416  379.940   15.417  351.920   15.814 28.02011 22.08513 
1 1 1    6    8   33 o  181.427   15.480   43.747   7.2054   41.634   10.392   45.705   9.9994  174.049   23.664  183.387   21.456 -9.337708 31.94246 
1 1 1    6    8   34 o  214.388   13.464   60.748   7.4391   65.809   10.948   56.406   10.140  220.889   19.328  204.361   19.387 16.52812 27.37572 
1 1 1    6    8   35 o  166.632   16.069   37.261   6.8497   48.096   9.9369   27.452   9.4551  187.435   20.818  138.203   27.380 49.23161 34.39569 
1 1 1    6    8   36 o  157.679   17.435   33.749   7.0019   35.846   10.300   31.948   9.5473  158.394   26.007  149.598   25.556 8.796310 36.46139 
1 1 1    6    8   37 o  117.970   23.394   19.919   6.8963   21.815   9.9052   18.135   9.6072  119.690   31.515  109.183   31.941 10.50716 44.87147 
1 1 1    6    8   38 o   78.305   28.324   8.1091   7.3813   1.4303   9.0133   21.710   12.862   66.868   28.777  116.134   37.522 -49.26591 47.28702 
1 1 1    6    8   39 o   55.699   24.230   0.1046   6.5288  -0.7246   9.0221   1.0161   9.4596   62.823   27.861   67.009   29.158 -4.186649 40.32850 
1 1 1    6    8   40 o  138.676   30.301   29.864   10.580   36.250   14.395   22.360   15.603  146.581   37.699  113.676   41.172 32.90515 55.82416 
1 1 1    6    8   41 o   63.168   26.054   3.3109   6.9009   9.0869   9.9129  -2.1207   9.6128   82.239   32.134   61.450   27.878 20.78905 42.54124 
1 1 1    6    8   42 o  181.948   17.886   46.438   8.3209   46.595   11.486   46.265   12.071  175.126   26.118  172.749   27.930 2.376587 38.23897 
1 1 1    6    8   43 o  140.335   23.316   29.587   8.1782   37.437   11.285   20.903   11.869  152.019   29.723  106.992   36.103 45.02734 46.76443 
1 1 1    6    8   44 o  111.301   26.616   19.889   7.5700   30.166   10.708   9.6221   10.703  132.814   31.587   80.706   32.768 52.10796 45.51335 
1 1 1    6    8   45 o   68.016   27.364   5.9536   7.3907   6.1473   9.4407   5.6470   11.878   71.554   30.065   74.151   32.459 -2.597755 44.24337 
1 1 1    6    8   46 o   88.446   28.178   13.476   7.2730   11.524   9.5645   16.153   11.199   81.641   31.657   91.402   34.551 -9.761063 46.86063 
1 1 1    6    8   47 o   69.792   31.111   5.1428   11.397   13.340   15.258  -5.2050   17.143   83.192   36.592   67.333   32.522 15.85889 48.95540 
1 1 1    6    9    0 o   75.149   19.425   7.6742   3.8089   14.173   5.6316   2.1950   5.1710  101.964   21.970   57.466   22.970 44.49807 31.78568 
1 1 1    6    9    1 o   64.223   20.043   5.3681   3.6974   4.9919   5.2276   5.7446   5.2303   66.623   23.869   69.290   23.953 -2.667831 33.81517 
1 1 1    6    9    2 f  489.558   8.9619  311.171   11.365  303.473   15.994  319.022   16.151  482.850   12.787  495.102   12.594 -12.25232 17.94798 
1 1 1    6    9    3 o  231.767   9.6318   69.770   5.7824   58.258   8.0806   81.850   8.2780  210.853   14.891  250.434   12.804 -39.58124 19.63851 
1 1 1    6    9    4 o  264.252   9.3590   90.683   6.4061   81.184   8.8998  100.896   9.2284  249.254   13.839  278.410   12.797 -29.15619 18.84847 
1 1 1    6    9    5 o  331.092   9.1152  142.330   7.8175  133.555   10.976  151.365   11.137  320.283   13.230  341.052   12.606 -20.76923 18.27450 
1 1 1    6    9    6 o  469.486   9.1085  286.143   11.077  285.805   15.768  286.472   15.564  468.642   12.989  469.220   12.806 -0.5781555 18.24023 
1 1 1    6    9    7 o  372.719   19.270  182.100   18.540  182.100   18.540   0.0000   0.0000  372.719   19.270  ?   ?  0.000000 19.26955 
1 1 1    6    9    8 o  347.144   13.599  156.710   12.228  170.500   17.844  144.500   16.791  360.884   19.157  332.059   19.608 28.82431 27.41329 
1 1 1    6    9    9 o  694.074   10.060  625.113   18.087  622.318   25.509  627.938   25.649  691.863   14.234  694.977   14.248 -3.114380 20.13964 
1 1 1    6    9   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9   11 o  860.540   12.637  961.101   28.169  957.900   48.763  962.705   34.509  857.302   21.959  860.809   15.476 -3.506775 26.86460 
1 1 1    6    9   12 o  745.757   10.265  721.162   19.828  733.200   40.330  717.324   22.771  750.576   20.743  743.625   11.821 6.951294 23.87534 
1 1 1    6    9   13 o  1186.23   15.078  1826.75   46.329  1828.00   80.650  1826.14   56.600  1183.80   26.301  1185.34   18.434 -1.543335 32.11797 
1 1 1    6    9   14 o  365.625   14.122  173.478   13.375   0.0000   0.0000  173.478   13.375  ?   ?   365.625   14.122 0.000000 14.12188 
1 1 1    6    9   15 o  283.915   11.311  104.529   8.3187  105.000   16.792  104.376   9.5764  283.070   23.102  283.649   13.034 -0.5785217 26.52527 
1 1 1    6    9   16 o  437.228   15.907  248.212   18.015   0.0000   0.0000  248.212   18.015  ?   ?   437.228   15.907 0.000000 15.90661 
1 1 1    6    9   17 o  680.283   14.549  600.706   25.637  613.300   37.451  589.600   35.169  686.545   21.059  673.279   20.166 13.26654 29.15720 
1 1 1    6    9   18 o  775.800   21.757  783.700   43.723  783.700   43.723   0.0000   0.0000  775.800   21.757  ?   ?  0.000000 21.75735 
1 1 1    6    9   19 o  733.262   10.414  697.305   19.779  711.603   28.395  683.827   27.568  740.234   14.809  725.662   14.666 14.57184 20.84234 
1 1 1    6    9   20 o  777.638   12.278  784.813   24.732  774.500   42.407  790.129   30.445  770.938   21.236  779.862   15.071 -8.923584 26.04027 
1 1 1    6    9   21 o  377.977   11.934  185.432   11.685  187.002   14.567  182.600   19.567  379.353   14.825  373.782   20.285 5.570679 25.12482 
1 1 1    6    9   22 o  666.438   10.274  576.252   17.736  582.058   25.465  570.782   24.716  669.165   14.691  662.699   14.398 6.466187 20.57053 
1 1 1    6    9   23 o  605.845   10.110  476.307   15.866  488.541   22.825  464.868   22.071  612.969   14.375  597.954   14.250 15.01508 20.24118 
1 1 1    6    9   24 o  341.418   14.601  151.669   12.913   0.0000   0.0000  151.669   12.913  ?   ?   341.418   14.601 0.000000 14.60124 
1 1 1    6    9   25 o  480.809   14.014  300.893   17.454   0.0000   0.0000  300.893   17.454  ?   ?   480.809   14.014 0.000000 14.01413 
1 1 1    6    9   26 o  455.793   10.153  269.892   11.987  282.078   17.416  258.922   16.523  465.238   14.451  445.761   14.310 19.47760 20.33756 
1 1 1    6    9   27 o  390.745   15.159  199.385   15.344  199.385   15.344   0.0000   0.0000  390.745   15.159  ?   ?  0.000000 15.15949 
1 1 1    6    9   28 o  312.740   16.783  128.580   13.546  133.800   20.902  124.800   17.788  315.927   25.766  306.261   22.581 9.665253 34.26068 
1 1 1    6    9   29 o  181.664   15.534   43.578   7.2396   31.471   10.679   53.873   9.8479  150.570   28.423  201.205   19.125 -50.63469 34.25844 
1 1 1    6    9   30 o  257.251   13.506   86.874   8.9685   96.700   15.094   81.511   11.150  268.622   21.882  248.042   17.466 20.58028 27.99814 
1 1 1    6    9   31 o  244.312   15.347   78.818   9.6630   82.570   12.089   72.180   16.081  248.870   18.894  228.869   27.689 20.00055 33.52069 
1 1 1    6    9   32 o  337.604   11.266  149.030   9.8522  161.501   14.392  138.033   13.515  349.811   15.884  323.301   16.139 26.50983 22.64384 
1 1 1    6    9   33 o  216.712   19.939   63.371   11.067   0.0000   0.0000   63.371   11.067  ?   ?   216.712   19.939 0.000000 19.93910 
1 1 1    6    9   34 o  313.442   11.256  128.832   9.1387  141.520   13.087  116.759   12.767  326.730   15.464  295.762   16.733 30.96719 22.78408 
1 1 1    6    9   35 o  133.664   20.345   24.692   6.8218   22.248   10.184   26.682   9.1878  121.953   31.881  136.061   27.022 -14.10773 41.79200 
1 1 1    6    9   36 o   60.560   24.799   2.4943   6.1962  -6.3844   9.4604   9.1642   8.1996   57.135   26.546   83.184   29.884 -26.04836 39.97191 
1 1 1    6    9   37 o  117.463   22.172   19.637   6.4988   22.528   9.1686   16.717   9.2129  122.406   29.306  104.848   31.434 17.55843 42.97591 
1 1 1    6    9   38 f   81.899   32.315   7.8256   10.111   7.9230   15.080   7.7460   13.627   90.202   37.954   87.660   36.422 2.541832 52.60320 
1 1 1    6    9   39 f  108.839   24.555   17.489   6.7581   17.190   10.068   17.735   9.1175  104.283   33.145  106.508   31.105 -2.224762 45.45446 
1 1 1    6    9   40 o  123.396   27.955   23.367   8.7283   29.557   11.251   14.010   13.833  135.697   32.447   96.508   37.887 39.18908 49.88248 
1 1 1    6    9   41 o  222.258   15.335   67.550   8.7743   64.835   12.441   70.235   12.376  210.838   23.163  220.749   21.935 -9.910431 31.90054 
1 1 1    6    9   42 o   95.976   29.165   14.946   7.8918   6.7787   10.994   23.626   11.335   77.485   32.495  115.801   34.900 -38.31606 47.68618 
1 1 1    6    9   43 o   41.683   20.416 -11.7817   7.4310  -1.8201   10.810 -20.7047   10.231   63.265   29.027   44.787   22.297 18.47768 36.60191 
1 1 1    6    9   44 f  100.982   30.041   17.498   8.4385   14.892   11.953   20.087   11.915   91.074   35.369  102.471   36.107 -11.39712 50.54377 
1 1 1    6    9   45 o  103.842   30.217   18.949   8.6183   11.739   12.620   25.251   11.798   83.789   34.951  113.482   35.860 -29.69264 50.07549 
1 1 1    6    9   46 o  103.280   33.557   20.800   10.278   32.728   12.831  -0.5529   17.168  126.399   36.896   71.985   34.158 54.41446 50.28012 
1 1 1    6    9   47 o   75.717   31.938   9.7611   10.720   5.7290   20.870   11.206   12.494   77.109   36.888   78.641   33.863 -1.532150 50.07435 
1 1 1    6   10    0 o  302.943   13.936  119.586   10.936  126.100   15.606  113.300   15.329  309.584   19.561  293.206   20.309 16.37784 28.19751 
1 1 1    6   10    1 o  151.605   14.993   30.262   5.8107   27.520   11.041   31.313   6.8337  141.063   31.057  153.802   17.463 -12.73885 35.63005 
1 1 1    6   10    2 o  191.131   12.890   47.766   6.3445   61.830   11.917   42.203   7.4949  215.932   21.596  179.060   16.339 36.87206 27.08064 
1 1 1    6   10    3 o  334.922   10.687  145.771   9.2716  148.300   16.682  144.641   11.153  336.016   19.246  333.362   12.916 2.653625 23.17824 
1 1 1    6   10    4 o  878.639   12.702  1004.43   28.909  1068.00   52.742  977.131   34.564  901.596   22.584  865.686   15.414 35.91016 27.34259 
1 1 1    6   10    5 o  488.267   13.304  310.199   16.826  337.800   24.756  286.500   22.939  508.360   18.800  468.143   18.917 40.21649 26.66992 
1 1 1    6   10    6 o  446.980   13.481  259.860   15.609  270.800   22.552  249.800   21.626  455.319   19.122  437.314   19.091 18.00482 27.02048 
1 1 1    6   10    7 o  291.025   11.629  109.998   8.7665  114.099   10.759  101.900   15.120  296.214   14.023  278.446   21.121 17.76797 25.35214 
1 1 1    6   10    8 o  301.395   9.9830  117.861   7.7938  128.892   11.369  108.080   10.705  314.917   13.937  288.346   14.333 26.57166 19.99181 
1 1 1    6   10    9 o  349.003   9.7728  157.982   8.8348  161.870   12.717  154.355   12.283  353.009   13.907  344.728   13.756 8.280457 19.56097 
1 1 1    6   10   10 o  331.425   10.136  142.452   8.7014  142.220   12.684  142.659   11.960  330.906   14.798  331.470   13.929 -0.5636597 20.32199 
1 1 1    6   10   11 o  763.435   10.594  755.829   20.951  775.466   30.390  738.045   28.921  772.764   15.182  753.937   14.809 18.82721 21.20890 
1 1 1    6   10   12 o  385.224   11.155  192.450   11.131  262.300   21.224  165.948   13.073  449.237   18.239  357.576   14.114 91.66080 23.06239 
1 1 1    6   10   13 o  307.282   10.178  122.419   8.1015  145.400   17.297  115.961   9.1695  333.780   20.099  299.011   11.839 34.76917 23.32690 
1 1 1    6   10   14 o  802.588   10.885  835.249   22.630  837.300   45.441  834.573   26.097  802.142   21.870  802.106   12.560 0.3564453E-01 25.21996 
1 1 1    6   10   15 f  731.965   12.788  695.048   24.245  770.200   44.001  662.281   29.054  769.270   22.082  714.205   15.705 55.06512 27.09686 
1 1 1    6   10   16 o  869.427   15.904  981.621   35.817  997.900   51.614  966.500   49.743  875.386   22.762  861.600   22.288 13.78601 31.85752 
1 1 1    6   10   17 o  372.828   10.532  180.254   10.172  177.500   21.499  181.048   11.545  368.448   22.636  373.582   11.931 -5.133881 25.58804 
1 1 1    6   10   18 o  290.170   11.809  109.237   8.8756  126.400   18.350  103.996   10.141  310.557   22.974  283.032   13.832 27.52527 26.81653 
1 1 1    6   10   19 o  287.260   13.470  107.135   10.023  176.500   19.813   83.277   11.620  367.491   20.900  252.402   17.889 115.0889 27.51035 
1 1 1    6   10   20 o  466.846   13.716  283.061   16.586  286.800   23.271  279.200   23.646  469.299   19.143  462.963   19.718 6.336212 27.48221 
1 1 1    6   10   21 o  986.834   11.959  1264.25   30.569  1231.39   42.574  1299.21   43.919  972.786   16.896  999.199   16.969 -26.41333 23.94588 
1 1 1    6   10   22 f  341.954   10.711  151.766   9.4873  150.395   13.705  153.028   13.146  340.007   15.562  343.044   14.795 -3.036835 21.47190 
1 1 1    6   10   23 o  589.721   10.199  451.394   15.579  460.186   22.441  443.214   21.645  594.768   14.566  583.741   14.315 11.02734 20.42279 
1 1 1    6   10   24 o  376.484   15.327  184.609   14.947  184.609   14.947   0.0000   0.0000  376.484   15.327  ?   ?  0.000000 15.32666 
1 1 1    6   10   25 f  361.589   10.565  169.866   9.8956  161.922   14.365  177.041   13.652  352.364   15.738  368.670   14.295 -16.30600 21.26130 
1 1 1    6   10   26 o  414.010   10.353  222.789   11.102  233.862   16.231  213.051   15.220  423.387   14.800  404.161   14.539 19.22546 20.74608 
1 1 1    6   10   27 o  408.166   12.167  217.060   12.864  220.501   15.926  210.600   21.820  410.763   14.968  399.116   21.182 11.64679 25.93638 
1 1 1    6   10   28 o  360.681   12.919  169.845   12.070  191.300   23.569  162.218   14.053  378.316   24.178  351.894   15.417 26.42282 28.67512 
1 1 1    6   10   29 o  323.787   11.122  136.728   9.3283  142.410   13.370  131.340   13.021  329.322   15.674  315.797   15.970 13.52521 22.37630 
1 1 1    6   10   30 o  174.694   20.979   41.169   9.3033   37.610   12.443   45.680   14.010  163.360   30.528  180.158   31.148 -16.79871 43.61375 
1 1 1    6   10   31 o   74.675   26.224   6.8679   6.2812   6.4533   9.2764   7.2188   8.5356   80.584   31.196   80.705   30.236 -0.1207581 43.44436 
1 1 1    6   10   32 o  224.717   18.885   67.722   10.891   0.0000   0.0000   67.722   10.891  ?   ?   224.717   18.885 0.000000 18.88526 
1 1 1    6   10   33 o   88.435   26.657   10.973   6.6123   12.695   9.3625   9.2589   9.3399   95.798   32.067   86.674   31.783 9.124382 45.14919 
1 1 1    6   10   34 o  128.796   20.671   22.940   6.6629   26.335   9.5264   19.688   9.3224  134.935   28.165  115.540   30.647 19.39519 41.62331 
1 1 1    6   10   35 o   94.390   26.507   12.923   6.7475   5.7124   9.8609   19.271   9.2528   78.383   31.582  113.554   30.715 -35.17091 44.05536 
1 1 1    6   10   36 o  172.326   16.483   40.218   7.2677   50.069   10.497   31.147   10.073  189.534   21.776  145.799   27.683 43.73553 35.22166 
1 1 1    6   10   37 o  109.257   28.272   17.951   8.0627   22.836   10.249   10.020   13.060  121.342   32.109   91.070   36.468 30.27190 48.58931 
1 1 1    6   10   38 o  164.620   18.006   37.351   7.5527   44.937   11.541   31.668   9.9889  175.245   26.230  145.859   27.445 29.38522 37.96384 
1 1 1    6   10   39 o  142.210   23.039   29.253   8.1965   24.260   13.543   32.139   10.297  119.045   38.506  145.512   28.337 -26.46776 47.80888 
1 1 1    6   10   40 o   95.113   30.755   14.301   8.6400   13.362   10.712   16.050   14.616   92.729   34.033   99.786   39.011 -7.056931 51.76934 
1 1 1    6   10   41 o  164.428   19.664   38.558   8.2091   42.104   12.356   35.755   10.984  162.248   30.520  150.411   29.245 11.83670 42.26981 
1 1 1    6   10   42 o   62.443   26.780   2.4509   7.7565   12.513   11.556  -5.8002   10.464   88.294   34.639   58.033   27.272 30.26076 44.08689 
1 1 1    6   10   43 o  188.442   19.423   51.364   9.3451   48.266   13.208   54.470   13.224  169.765   31.184  183.555   28.758 -13.78954 42.42017 
1 1 1    6   10   44 o  108.418   28.675   19.844   8.1767   23.177   11.618   16.572   11.510  109.564   35.681   93.986   35.131 15.57772 50.07288 
1 1 1    6   10   45 o   43.780   21.717 -16.7496   9.3629 -16.7496   9.3629   0.0000   0.0000   43.780   21.717  ?   ?  0.000000 21.71668 
1 1 1    6   10   46 o   54.545   25.725  -4.1053   9.4606  -0.9456   11.604 -10.3700   16.339   62.761   29.239   63.039   30.745 -0.2779617 42.42872 
1 1 1    6   11    0 o  177.024   12.021   40.934   5.4794   42.949   7.6060   38.759   7.9004  180.705   16.429  171.299   18.078 9.405716 24.42796 
1 1 1    6   11    1 o  306.608   9.5050  122.049   7.5490  111.267   10.474  133.704   10.890  292.361   13.830  320.567   13.115 -28.20648 19.05985 
1 1 1    6   11    2 o  491.738   9.2275  313.860   11.753  324.046   16.881  304.276   16.375  499.108   13.057  483.641   13.071 15.46710 18.47519 
1 1 1    6   11    3 o  619.600   9.6678  498.345   15.516  473.919   21.390  525.470   22.542  603.537   13.683  635.513   13.693 -31.97577 19.35763 
1 1 1    6   11    4 o  448.228   13.205  261.222   15.332  261.222   15.332   0.0000   0.0000  448.228   13.205  ?   ?  0.000000 13.20549 
1 1 1    6   11    5 o  349.009   9.4626  158.051   8.5545  157.848   12.178  158.249   12.020  348.453   13.492  348.914   13.299 -0.4615479 18.94460 
1 1 1    6   11    6 o  515.493   9.5123  344.745   12.702  333.495   17.954  356.015   17.971  506.556   13.683  523.436   13.254 -16.88016 19.05036 
1 1 1    6   11    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   11    8 f  213.018   12.057   59.079   6.6258   55.958   9.4423   62.107   9.3000  206.636   17.815  217.930   16.599 -11.29395 24.34982 
1 1 1    6   11    9 o  589.517   9.8793  450.660   15.086  447.328   21.403  453.950   21.268  586.962   14.077  591.310   13.885 -4.347900 19.77269 
1 1 1    6   11   10 o  167.120   21.659   36.965   9.1553   36.965   9.1553   0.0000   0.0000  167.120   21.659  ?   ?  0.000000 21.65870 
1 1 1    6   11   11 o  367.767   10.268  175.371   9.7813  165.665   13.994  184.642   13.677  357.209   15.124  377.179   13.999 -19.97073 20.60860 
1 1 1    6   11   12 o  548.675   10.258  390.321   14.578  385.927   21.137  394.308   20.133  545.243   14.966  551.203   14.101 -5.960388 20.56261 
1 1 1    6   11   13 o  534.686   14.405  371.052   19.951   0.0000   0.0000  371.052   19.951  ?   ?   534.686   14.405 0.000000 14.40505 
1 1 1    6   11   14 o  1024.83   17.444  1364.53   46.307  1423.00   68.379  1315.00   62.936  1044.76   25.267  1004.61   24.185 40.15350 34.97657 
1 1 1    6   11   15 o  1306.77   16.382  2218.03   55.452  2138.00   93.551  2261.38   68.852  1279.35   28.230  1318.50   20.160 -39.14343 34.68913 
1 1 1    6   11   16 o  831.248   11.108  896.187   23.919  948.300   49.910  880.650   27.252  853.180   22.584  823.823   12.771 29.35712 25.94432 
1 1 1    6   11   17 o  273.263   14.431   97.232   10.178  155.800   19.070   73.902   12.036  345.195   21.434  237.490   19.744 107.7052 29.14168 
1 1 1    6   11   18 o  512.570   10.404  340.771   13.814  363.900   28.453  333.638   15.801  528.522   20.783  507.051   12.031 21.47079 24.01407 
1 1 1    6   11   19 o  1014.02   17.645  1337.87   46.347   0.0000   0.0000  1337.87   46.347  ?   ?   1014.02   17.645 0.000000 17.64520 
1 1 1    6   11   20 o  918.815   11.830  1095.90   28.156  1255.00   61.703  1054.06   31.643  979.650   24.316  900.781   13.561 78.86938 27.84174 
1 1 1    6   11   21 o  620.328   21.543  502.600   34.616  502.600   34.616   0.0000   0.0000  620.328   21.543  ?   ?  0.000000 21.54324 
1 1 1    6   11   22 o  448.277   10.152  260.811   11.788  252.129   16.778  269.274   16.565  440.245   14.713  455.055   14.053 -14.81067 20.34608 
1 1 1    6   11   23 o  211.032   13.994   58.192   7.6064   38.776   10.976   76.131   10.550  169.901   25.748  241.053   17.006 -71.15222 30.85707 
1 1 1    6   11   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   11   25 o  146.211   17.098   28.312   6.3531   17.744   9.9284   35.640   8.2673  113.648   32.237  163.706   19.906 -50.05788 37.88770 
1 1 1    6   11   26 f  562.513   10.304  411.463   15.014  409.060   21.519  413.742   20.958  559.662   14.844  563.002   14.371 -3.339600 20.66082 
1 1 1    6   11   27 o  185.496   23.690   46.378   11.123   46.890   18.532   46.090   13.906  180.482   40.622  182.684   30.459 -2.202072 50.77316 
1 1 1    6   11   28 o  236.929   12.730   73.541   7.7841   73.382   11.384   73.681   10.668  235.089   18.853  235.947   17.581 -0.8580627 25.77805 
1 1 1    6   11   29 o  316.315   11.413  130.631   9.3515  130.752   13.942  130.532   12.608  314.432   17.183  315.151   15.445 -0.7189636 23.10424 
1 1 1    6   11   30 o  305.590   13.313  122.434   10.538  131.011   13.431  108.700   16.996  314.670   16.536  283.546   23.349 31.12454 28.61150 
1 1 1    6   11   31 o  224.690   13.104   66.474   7.5938   67.688   11.542   65.548   10.083  224.314   20.078  221.626   17.712 2.687469 26.77385 
1 1 1    6   11   32 o  181.257   14.912   43.657   6.9392   35.351   10.355   50.428   9.3490  158.822   26.076  193.473   18.896 -34.65038 32.20258 
1 1 1    6   11   33 o  258.053   12.344   87.567   8.2509   83.004   12.021   91.632   11.346  248.126   18.843  261.797   16.820 -13.67114 25.25813 
1 1 1    6   11   34 o  341.021   11.216  152.814   9.9073  147.948   14.304  157.301   13.735  332.716   16.598  343.799   15.423 -11.08246 22.65733 
1 1 1    6   11   35 o  113.674   23.071   18.441   6.5612   16.695   9.7743   19.872   8.8521  105.239   32.546  115.312   29.512 -10.07317 43.93415 
1 1 1    6   11   36 o  131.446   21.783   24.431   7.1571   18.284   10.200   30.393   10.045  108.733   33.182  143.312   28.065 -34.57859 43.45925 
1 1 1    6   11   37 o  167.834   27.767   41.681   11.649   54.950   17.878   31.890   15.357  182.921   38.928  136.781   40.488 46.14003 56.16660 
1 1 1    6   11   38 o   50.111   22.678  -2.2943   6.3149 -13.4743   8.7053   10.123   9.1745   46.125   22.484   85.105   31.452 -38.98011 38.66224 
1 1 1    6   11   39 o   65.283   28.177   1.7521   8.6920  -3.5790   12.462   6.8030   12.130   67.692   31.097   81.610   34.173 -13.91857 46.20457 
1 1 1    6   11   40 o  108.384   26.607   18.166   7.4146   9.8125   11.144   24.800   9.9317   84.616   33.755  123.701   31.045 -39.08551 45.86031 
1 1 1    6   11   41 o   58.856   25.554   1.2427   7.2343   1.7162   10.903   0.8702   9.6696   69.069   30.629   64.924   28.816 4.144775 42.05335 
1 1 1    6   11   42 o  113.294   26.630   20.468   7.6830   16.039   10.163   26.376   11.737   95.664   33.370  120.144   35.350 -24.48062 48.61301 
1 1 1    6   11   43 f   78.291   28.726   9.7096   7.6311   2.1306   11.138   16.416   10.477   68.257   30.567   94.949   33.815 -26.69154 45.58296 
1 1 1    6   11   44 o   63.799   27.197   3.7867   7.9130  -7.1542   10.748   16.734   11.693   55.831   26.644   93.254   35.291 -37.42289 44.21909 
1 1 1    6   11   45 f   71.228   29.204   7.3245   8.6059   13.203   12.074   1.2539   12.270   84.286   34.578   67.033   30.817 17.25363 46.31815 
1 1 1    6   11   46 o   65.208   28.668   4.3087   9.3543 -36.6800   18.716   17.957   10.800   54.074   27.346   92.595   34.143 -38.52142 43.74460 
1 1 1    6   12    0 o  410.155   9.5401  218.298   10.136  215.568   14.323  221.037   14.345  407.181   13.580  412.332   13.431 -5.150696 19.09977 
1 1 1    6   12    1 o  294.479   10.114  112.551   7.7147  107.960   10.982  117.024   10.840  287.690   14.787  299.987   13.950 -12.29767 20.32850 
1 1 1    6   12    2 o  375.632   9.6249  183.083   9.3651  188.486   13.593  178.201   12.921  380.766   13.782  370.263   13.472 10.50323 19.27268 
1 1 1    6   12    3 o  457.843   9.4576  271.950   11.216  268.259   15.927  275.581   15.798  454.323   13.534  460.516   13.244 -6.192474 18.93575 
1 1 1    6   12    4 o  256.739   10.962   85.549   7.2903   78.792   10.389   92.105   10.233  245.530   16.430  265.743   14.926 -20.21288 22.19739 
1 1 1    6   12    5 o  783.249   10.603  795.977   21.513  781.279   30.106  811.311   30.752  775.289   14.991  790.043   15.027 -14.75397 21.22602 
1 1 1    6   12    6 f  210.566   12.438   57.754   6.7541   42.932   9.7484   71.436   9.3665  180.247   21.290  233.933   15.546 -53.68628 26.36195 
1 1 1    6   12    7 o  374.433   9.9719  181.818   9.6717  179.289   13.836  184.235   13.525  371.558   14.376  376.684   13.861 -5.126190 19.97022 
1 1 1    6   12    8 o  714.484   10.354  662.017   19.163  658.538   27.095  665.499   27.107  712.137   14.689  715.901   14.617 -3.763306 20.72255 
1 1 1    6   12    9 o  394.849   14.502  202.404   14.832  202.404   14.832   0.0000   0.0000  394.849   14.502  ?   ?  0.000000 14.50200 
1 1 1    6   12   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   12   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   12   12 o  908.025   23.410  1074.00   55.062  1074.00   55.062   0.0000   0.0000  908.025   23.410  ?   ?  0.000000 23.41009 
1 1 1    6   12   13 o  1254.56   19.721  2046.91   64.087  2077.00   92.391  2019.00   88.971  1261.01   28.285  1243.52   27.622 17.48792 39.53500 
1 1 1    6   12   14 o  519.173   12.063  349.659   16.223  464.000   32.098  310.430   18.801  597.123   20.752  488.980   14.844 108.1426 25.51420 
1 1 1    6   12   15 o  822.502   11.145  877.471   23.745  818.500   46.245  898.584   27.671  792.591   22.525  832.140   12.838 -39.54834 25.92641 
1 1 1    6   12   16 o  966.208   11.939  1211.29   29.880  1226.00   60.505  1206.55   34.363  969.360   24.097  964.028   13.761 5.332031 27.74901 
1 1 1    6   12   17 o  1328.87   14.487  2293.70   49.865  2655.00  113.549  2207.38   55.503  1422.49   30.817  1303.08   16.444 119.4109 34.92926 
1 1 1    6   12   18 o  377.371   12.625  184.882   12.341   0.0000   0.0000  184.882   12.341  ?   ?   377.371   12.625 0.000000 12.62516 
1 1 1    6   12   19 o  520.392   12.689  351.668   17.105  489.300   33.172  301.820   19.964  612.447   20.910  481.725   15.999 130.7214 26.32874 
1 1 1    6   12   20 o  302.978   12.392  119.221   9.7255  146.600   20.987  111.734   10.975  333.762   24.445  293.163   14.453 40.59943 28.39801 
1 1 1    6   12   21 o  386.006   13.417  193.684   13.415  272.800   24.816  161.016   15.946  456.911   20.968  351.500   17.514 105.4107 27.32013 
1 1 1    6   12   22 o  525.377   10.798  358.442   14.695  340.200   29.206  364.625   17.004  509.672   22.123  529.666   12.394 -19.99417 25.35783 
1 1 1    6   12   23 o  524.218   11.897  357.233   16.155  370.200   30.207  352.037   19.120  531.293   21.949  519.985   14.195 11.30811 26.13938 
1 1 1    6   12   24 o  361.440   14.850  170.336   13.904   0.0000   0.0000  170.336   13.904  ?   ?   361.440   14.850 0.000000 14.85048 
1 1 1    6   12   25 o  105.492   24.456   15.296   6.5524   7.3051   9.6271   22.192   8.9437   84.877   32.046  126.758   27.987 -41.88070 42.54686 
1 1 1    6   12   26 o  549.043   15.283  394.384   21.735  394.700   31.593  394.100   29.949  546.156   22.332  546.332   21.163 -0.1757813 30.76637 
1 1 1    6   12   27 o  210.614   14.139   58.295   7.6686   63.533   10.893   53.147   10.798  218.553   19.444  199.218   21.253 19.33437 28.80569 
1 1 1    6   12   28 o  377.257   10.731  185.598   10.486  194.700   15.315  177.565   14.388  385.020   15.356  367.771   15.104 17.24854 21.53920 
1 1 1    6   12   29 o  217.486   18.251   63.049   10.186   73.110   14.594   53.490   14.225  231.711   24.696  196.038   28.878 35.67244 37.99750 
1 1 1    6   12   30 f  236.760   13.263   73.784   8.1012   91.618   11.967   58.697   11.007  262.327   17.715  208.643   20.636 53.68407 27.19730 
1 1 1    6   12   31 o   77.397   24.775   8.0737   5.6172   7.3011   7.2441   9.2388   8.8958   77.684   28.066   86.171   31.106 -8.486534 41.89631 
1 1 1    6   12   32 o  238.678   13.478   75.296   8.2989   84.411   12.000   66.939   11.490  250.523   18.625  222.223   20.181 28.29987 27.46164 
1 1 1    6   12   33 o  294.964   12.114  114.508   9.2553  123.701   13.194  105.602   12.986  303.914   16.826  280.068   17.996 23.84637 24.63675 
1 1 1    6   12   34 o  307.048   11.963  124.313   9.5148  127.680   13.594  121.079   13.322  307.911   17.112  299.745   17.230 8.165833 24.28370 
1 1 1    6   12   35 f  283.681   12.043  106.379   8.8496  109.260   12.701  103.661   12.337  283.964   17.351  276.601   17.306 7.363159 24.50614 
1 1 1    6   12   36 o  147.120   22.698   30.823   8.3714   23.584   10.786   41.790   13.276  122.418   33.184  164.866   32.243 -42.44836 46.26806 
1 1 1    6   12   37 o  226.870   13.787   69.065   8.0635   65.591   11.937   71.980   10.935  215.695   21.658  228.397   18.647 -12.70256 28.57934 
1 1 1    6   12   38 f  178.521   17.599   44.034   8.0322   44.920   11.706   43.245   11.042  173.509   26.918  171.168   25.697 2.340988 37.21435 
1 1 1    6   12   39 o  120.007   29.835   22.863   9.2345   16.504   11.854   32.680   14.728   99.927   35.928  134.678   39.591 -34.75143 53.46300 
1 1 1    6   12   40 o   88.227   28.328   12.274   7.3396   15.461   10.411   9.1258   10.349   96.148   33.762   81.554   32.530 14.59335 46.88354 
1 1 1    6   12   41 o   45.592   21.829  -7.6496   7.3414 -13.2690   10.258  -1.7485   10.512   50.246   24.474   62.834   28.753 -12.58799 37.75826 
1 1 1    6   12   42 o   71.878   28.246   7.1503   7.6955   5.7947   11.275   8.3323   10.529   74.290   32.078   77.749   32.136 -3.458748 45.40611 
1 1 1    6   12   43 o  183.292   19.667   49.291   9.1914   46.617   13.013   51.953   12.985  164.016   31.777  176.461   29.445 -12.44539 43.32163 
1 1 1    6   12   44 o   55.565   24.968   0.0814   7.4988   3.7108   9.7129  -5.2744   11.799   66.535   29.232   59.654   28.310 6.880550 40.69404 
1 1 1    6   12   45 o  133.189   29.202   31.150   9.7972   25.493   12.295   40.990   16.215  108.404   36.745  129.887   42.147 -21.48258 55.91544 
1 1 1    6   12   46 f   88.164   31.464   15.581   9.0755   15.198   13.212   15.923   12.488   83.451   35.342   85.049   35.060 -1.598694 49.78217 
1 1 1    6   13    0 o  413.637   9.8102  221.935   10.511  198.304   14.530  247.878   15.224  390.653   14.359  436.849   13.454 -46.19580 19.67723 
1 1 1    6   13    1 o  197.879   13.133   51.072   6.6933   37.815   9.4612   64.356   9.4705  168.808   22.174  221.818   16.603 -53.00996 27.70068 
1 1 1    6   13    2 o  506.517   9.7943  332.769   12.850  326.976   18.346  338.350   18.006  501.695   14.117  510.400   13.619 -8.704803 19.61560 
1 1 1    6   13    3 o  875.006   11.188  993.416   25.359  972.473   35.353  1015.61   36.395  864.956   15.779  883.910   15.896 -18.95367 22.39768 
1 1 1    6   13    4 o  223.534   11.995   65.029   6.9202   54.109   9.7798   75.979   9.7936  203.048   18.808  241.287   15.756 -38.23900 24.53555 
1 1 1    6   13    5 o  267.355   11.109   92.724   7.6934   88.531   11.001   96.738   10.763  260.484   16.388  272.457   15.313 -11.97256 22.42843 
1 1 1    6   13    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   13    7 o  454.142   9.9536  267.428   11.709  268.481   16.665  266.402   16.456  454.765   14.147  453.011   14.023 1.754303 19.91949 
1 1 1    6   13    8 f  656.646   10.350  559.125   17.604  553.991   24.765  564.370   25.029  653.229   14.636  659.318   14.656 -6.088562 20.71228 
1 1 1    6   13    9 o  248.723   12.600   80.467   8.0910   67.619   11.565   92.786   11.324  227.147   19.854  266.758   16.469 -39.61122 25.79573 
1 1 1    6   13   10 o  552.339   11.854  395.724   16.960  388.100   29.343  399.548   20.784  546.137   20.742  554.795   14.463 -8.658386 25.28625 
1 1 1    6   13   11 o  414.975   15.571  223.616   16.737  227.800   25.171  220.300   22.410  417.512   23.368  410.899   21.126 6.613678 31.50225 
1 1 1    6   13   12 o  541.519   12.532  380.455   17.579  366.027   21.727  407.800   29.913  530.880   15.800  559.811   20.628 -28.93091 25.98399 
1 1 1    6   13   13 o  553.151   10.887  396.830   15.599  394.412   22.623  399.021   21.538  551.041   15.850  554.335   14.999 -3.294495 21.82178 
1 1 1    6   13   14 o  427.024   12.497  236.625   13.823  279.400   25.473  218.771   16.457  463.181   21.231  410.388   15.481 52.79300 26.27617 
1 1 1    6   13   15 f  448.020   12.159  260.473   14.110  324.600   27.000  236.380   16.550  499.193   20.881  426.582   14.978 72.61044 25.69725 
1 1 1    6   13   16 o  606.882   10.472  477.755   16.462  554.700   36.082  457.527   18.500  652.328   21.354  593.748   12.029 58.58014 24.50838 
1 1 1    6   13   17 o  407.392   12.471  215.469   13.161   0.0000   0.0000  215.469   13.161  ?   ?   407.392   12.471 0.000000 12.47138 
1 1 1    6   13   18 o  379.773   13.199  187.344   12.985  190.900   24.001  185.872   15.439  381.253   24.432  378.043   15.766 3.210266 29.07759 
1 1 1    6   13   19 o  343.159   11.818  152.909   10.505  197.100   23.064  141.342   11.800  387.533   23.081  329.769   13.814 57.76346 26.89867 
1 1 1    6   13   20 o  506.146   10.773  332.586   14.124  395.100   30.188  315.068   15.981  549.794   21.198  492.429   12.529 57.36462 24.62337 
1 1 1    6   13   21 o  406.152   16.948  215.055   17.830   0.0000   0.0000  215.055   17.830  ?   ?   406.152   16.948 0.000000 16.94782 
1 1 1    6   13   22 o  482.810   11.099  302.877   13.881  331.600   28.758  294.153   15.849  502.809   22.080  475.544   12.867 27.26462 25.55589 
1 1 1    6   13   23 o  457.570   11.168  272.182   13.237  287.200   27.339  267.584   15.128  467.334   22.585  453.409   12.881 13.92557 25.99961 
1 1 1    6   13   24 o  255.992   13.512   85.654   8.9283  120.300   20.743   77.775   9.8915  299.817   26.999  243.490   15.768 56.32664 31.26591 
1 1 1    6   13   25 o  541.918   15.121  384.022   21.226  361.700   30.765  404.300   29.322  522.802   22.718  553.858   20.439 -31.05615 30.55877 
1 1 1    6   13   26 o  471.728   10.567  289.813   12.913  300.065   18.860  280.768   17.715  478.579   15.214  463.087   14.769 15.49142 21.20339 
1 1 1    6   13   27 o  316.330   11.578  130.611   9.4868  135.249   13.981  126.653   12.915  320.067   16.924  309.969   16.141 10.09799 23.38681 
1 1 1    6   13   28 o  278.514   12.272  101.472   8.8535   80.016   12.597  122.414   12.446  244.549   20.064  304.515   15.833 -59.96625 25.55824 
1 1 1    6   13   29 o  188.855   18.657   47.806   9.0073   42.838   11.344   56.280   14.817  176.074   25.624  200.424   29.416 -24.35034 39.01168 
1 1 1    6   13   30 o  260.808   12.745   89.282   8.6105  100.976   12.714   79.373   11.703  275.041   17.943  243.401   18.706 31.64001 25.92025 
1 1 1    6   13   31 o  287.706   12.058  108.661   8.9863  104.005   12.920  113.025   12.507  278.667   17.996  291.226   16.648 -12.55963 24.51551 
1 1 1    6   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   13   33 o  149.825   18.958   30.756   7.1927   38.193   10.524   24.235   9.8533  163.796   25.646  127.627   30.264 36.16824 39.66889 
1 1 1    6   13   34 o   68.302   26.113   5.1677   6.4427   2.9584   8.8052   7.7136   9.4519   69.526   29.115   81.272   31.482 -11.74629 42.88140 
1 1 1    6   13   35 f   92.585   27.279   12.716   6.9852   9.6789   9.7825   15.875   9.9776   85.713   32.318  101.739   33.063 -16.02595 46.23439 
1 1 1    6   13   36 o  161.218   22.675   37.092   9.2076   30.890   18.086   39.262   10.698  130.619   44.564  163.591   26.124 -32.97171 51.65723 
1 1 1    6   13   37 o   66.109   26.291   4.4673   6.7415   6.3660   9.3959   2.4528   9.6783   76.434   30.817   69.496   29.862 6.938293 42.91251 
1 1 1    6   13   38 o  131.108   26.056   25.923   8.5372   31.130   14.352   23.072   10.620  132.411   39.127  118.362   33.261 14.04913 51.35368 
1 1 1    6   13   39 o  158.032   23.258   36.802   9.2360   52.810   11.718   10.540   15.008  188.405   24.597   89.414   37.756 98.99084 45.06161 
1 1 1    6   13   40 o  117.283   24.807   21.148   7.3009   32.584   11.614   13.676   9.3879  138.553   32.858   90.876   32.047 47.67740 45.89863 
1 1 1    6   13   41 o  105.359   27.493   18.102   7.5826   21.840   11.291   15.031   10.233  108.602   35.164   92.604   33.373 15.99756 48.47907 
1 1 1    6   13   42 o   98.050   28.494   16.276   7.6680   5.8956   9.9062   31.793   12.111   71.727   30.500  130.569   35.067 -58.84132 46.47515 
1 1 1    6   13   43 o   77.102   29.677   9.6335   8.3571   8.7365   11.736   10.556   11.904   77.588   33.099   80.732   33.832 -3.144669 47.33014 
1 1 1    6   13   44 o   40.654   20.098 -13.3841   7.7753 -25.9896   11.397  -2.4098   10.634   43.978   22.128   59.459   27.798 -15.48087 35.52959 
1 1 1    6   13   45 o   91.423   36.626   19.169   13.180   18.140   19.179   20.090   18.142   86.603   39.323   89.038   39.496 -2.435188 55.73364 
1 1 1    6   14    0 o  435.614   10.021  246.089   11.307  244.116   16.175  247.975   15.812  433.561   14.403  437.010   13.969 -3.449036 20.06389 
1 1 1    6   14    1 o  514.361   9.9664  343.094   13.279  331.407   18.703  354.972   18.855  505.182   14.293  522.870   13.922 -17.68765 19.95250 
1 1 1    6   14    2 o  326.940   10.643  138.637   9.0135  131.883   13.030  144.835   12.482  318.603   15.788  333.967   14.429 -15.36450 21.38834 
1 1 1    6   14    3 f  683.341   10.369  605.585   18.353  604.930   26.064  606.228   25.848  682.507   14.743  683.256   14.604 -0.7487793 20.75209 
1 1 1    6   14    4 o  272.847   11.361   96.569   8.0296   90.509   11.492  102.350   11.224  263.357   16.935  280.280   15.521 -16.92303 22.97158 
1 1 1    6   14    5 o  511.068   9.9344  338.675   13.151  343.543   18.813  334.023   18.392  514.422   14.118  507.254   13.997 7.167755 19.88109 
1 1 1    6   14    6 o  522.540  10.0000  354.045   13.536  353.884   19.394  354.199   18.900  522.103   14.340  522.367   13.968 -0.2637939 20.01902 
1 1 1    6   14    7 o  534.294   20.576  371.500   28.477  371.500   28.477   0.0000   0.0000  534.294   20.576  ?   ?  0.000000 20.57633 
1 1 1    6   14    8 o  807.182   15.592  846.148   32.601  808.400   45.221  887.000   47.043  787.880   22.158  825.325   22.005 -37.44513 31.22804 
1 1 1    6   14    9 o  763.241   21.838  758.500   43.175   0.0000   0.0000  758.500   43.175  ?   ?   763.241   21.838 0.000000 21.83829 
1 1 1    6   14   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   14   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   14   12 f  329.011   12.417  140.463   10.582  138.709   15.716  141.917   14.313  326.032   18.688  330.027   16.798 -3.995056 25.12761 
1 1 1    6   14   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   14   14 o  436.188   15.496  247.236   17.509   0.0000   0.0000  247.236   17.509  ?   ?   436.188   15.496 0.000000 15.49631 
1 1 1    6   14   15 o  409.210   10.745  217.250   11.390  189.100   23.698  225.705   12.988  379.702   24.221  417.007   12.024 -37.30539 27.04136 
1 1 1    6   14   16 o  481.906   14.756  301.827   18.419   0.0000   0.0000  301.827   18.419  ?   ?   481.906   14.756 0.000000 14.75588 
1 1 1    6   14   17 o  660.587   12.669  566.753   21.678  546.700   37.707  576.653   26.495  646.853   22.504  665.895   15.361 -19.04211 27.24677 
1 1 1    6   14   18 o  688.583   10.905  615.485   19.451  656.000   41.450  604.044   22.027  708.252   22.594  681.916   12.470 26.33557 25.80665 
1 1 1    6   14   19 o  321.834   11.818  134.542   9.8522  148.000   22.180  131.233   10.997  334.762   25.777  317.723   13.362 17.03915 29.03408 
1 1 1    6   14   20 o  382.535   11.647  190.125   11.541  198.800   24.519  187.656   13.081  388.330   24.501  379.862   13.294 8.468292 27.87552 
1 1 1    6   14   21 o  480.706   11.209  300.272   13.958  309.400   28.881  297.491   15.943  485.404   22.970  478.224   12.870 7.180115 26.32983 
1 1 1    6   14   22 o  365.700   11.921  173.952   11.293  165.700   23.367  176.467   12.899  353.295   25.710  368.107   13.528 -14.81204 29.05166 
1 1 1    6   14   23 o  443.876   11.345  256.332   13.045  272.700   27.111  251.401   14.881  454.059   23.127  439.261   13.078 14.79849 26.56869 
1 1 1    6   14   24 o  514.995   15.383  346.883   20.521  386.200   31.959  319.300   26.768  540.234   22.838  492.026   21.003 48.20786 31.02729 
1 1 1    6   14   25 o  184.439   27.503   46.573   12.738   0.0000   0.0000   46.573   12.738  ?   ?   184.439   27.503 0.000000 27.50253 
1 1 1    6   14   26 o  287.100   14.644  108.340   10.854  229.200   24.804   79.716   12.071  413.710   23.240  244.812   19.189 168.8985 30.13798 
1 1 1    6   14   27 o  152.644   22.869   31.826   8.7639   54.220   19.197   25.930   9.8502  191.994   39.904  135.503   28.943 56.49113 49.29524 
1 1 1    6   14   28 o  178.671   21.839   43.357   9.8971   57.110   13.750   28.570   14.257  203.229   26.770  138.757   38.377 64.47162 46.79139 
1 1 1    6   14   29 o  244.167   17.821   79.606   11.194   0.0000   0.0000   79.606   11.194  ?   ?   244.167   17.821 0.000000 17.82136 
1 1 1    6   14   30 o  339.212   11.431  150.813   10.044  155.206   14.915  147.169   13.586  341.751   16.849  333.326   15.735 8.425049 23.05330 
1 1 1    6   14   31 o  306.496   11.936  123.467   9.4764  131.575   13.976  116.566   12.893  313.476   17.278  295.197   16.932 18.27914 24.19155 
1 1 1    6   14   32 o  252.770   12.900   84.590   8.4181   93.589   12.206   76.427   11.625  263.252   18.008  237.184   19.083 26.06795 26.23852 
1 1 1    6   14   33 o  105.203   25.303   16.123   6.8109   17.101   10.151   15.321   9.1851  106.128   33.225  101.182   31.592 4.946228 45.84709 
1 1 1    6   14   34 o   80.716   26.621   9.2404   6.4594   16.294   9.5582   3.3113   8.7633  103.121   32.233   69.727   29.109 33.39394 43.43114 
1 1 1    6   14   35 o  109.552   34.457   19.158   10.904   26.880   17.648   14.390   13.868  123.387   43.893   99.127   38.208 24.25963 58.19375 
1 1 1    6   14   36 o  189.526   16.361   49.091   7.9532   51.755   11.610   46.736   10.917  188.982   24.279  179.653   24.063 9.328262 34.18368 
1 1 1    6   14   37 o   83.309   27.885   10.350   7.0798   10.752   10.291   9.9882   9.7551   86.742   33.041   84.447   32.168 2.295013 46.11394 
1 1 1    6   14   38 f  220.651   18.790   68.361   10.637   95.490   16.662   49.700   13.819  252.747   25.813  176.408   31.393 76.33818 40.64280 
1 1 1    6   14   39 o   95.630   27.737   14.619   7.2722   21.576   10.818   8.8829   9.8229  111.117   34.219   79.984   31.759 31.13361 46.68543 
1 1 1    6   14   40 o  185.954   17.781   49.068   8.4604   51.535   11.809   46.465   12.127  182.507   25.690  170.125   28.530 12.38251 38.39142 
1 1 1    6   14   41 o  192.313   18.641   53.388   9.1692   53.379   12.908   53.397   13.028  180.855   28.496  180.448   28.843 0.4075165 40.54548 
1 1 1    6   14   42 o   91.387   30.455   14.844   8.4460  -2.1389   11.985   31.599   11.905   63.639   29.671  129.154   34.800 -65.51512 45.73179 
1 1 1    6   14   43 o   99.880   27.850   17.263   7.4765   24.801   11.348   11.481   9.9386  110.967   35.180   80.814   31.991 30.15301 47.55057 
1 1 1    6   14   44 o   51.478   24.568  -5.8402   9.1427 -10.7730   10.665   7.8320   17.756   51.022   24.874   77.577   36.151 -26.55499 43.88204 
1 1 1    6   14   45 f  106.710   31.099   22.362   9.1227   28.311   13.110   16.777   12.702  107.740   37.884   85.610   35.334 22.13009 51.80396 
1 1 1    6   15    0 o  530.578   14.133  365.482   19.423  357.200   27.607  373.600   27.332  523.855   20.345  535.830   19.692 -11.97510 28.31429 
1 1 1    6   15    1 o  857.287   15.827  954.727   35.145  989.700   51.000  923.100   48.499  871.490   22.592  841.735   22.244 29.75458 31.70475 
1 1 1    6   15    2 o  1064.43   17.573  1472.83   48.451  1446.00   67.701  1501.00   69.370  1052.77   24.826  1072.56   24.969 -19.78931 35.21091 
1 1 1    6   15    3 o  945.676   16.526  1162.00   40.482  1161.00   57.327  1163.00   57.173  943.728   23.451  944.562   23.368 -0.8341675 33.10572 
1 1 1    6   15    4 f  707.323   14.813  649.641   27.140  633.600   37.913  666.500   38.868  697.635   20.980  715.520   20.971 -17.88489 29.66417 
1 1 1    6   15    5 o  680.373   12.383  600.608   21.824  608.135   27.307  587.300   36.311  684.288   15.406  671.690   20.870 12.59845 25.94028 
1 1 1    6   15    6 o  360.762   13.142  168.901   12.281  165.266   15.563  174.900   19.992  356.629   16.847  365.925   21.182 -9.295624 27.06496 
1 1 1    6   15    7 o  546.190   11.106  386.929   15.713  383.304   22.350  390.471   22.096  543.219   15.884  548.307   15.557 -5.087769 22.23337 
1 1 1    6   15    8 o  559.577   15.887  406.754   23.028   0.0000   0.0000  406.754   23.028  ?   ?   559.577   15.887 0.000000 15.88686 
1 1 1    6   15    9 o  1028.66   12.704  1373.12   33.850  1388.43   48.593  1358.68   47.181  1033.33   18.155  1022.27   17.818 11.05670 25.43722 
1 1 1    6   15   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   15   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   15   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   15   13 o  607.268   11.051  478.479   17.383  500.645   25.664  459.691   23.628  620.568   15.966  594.731   15.337 25.83759 22.13911 
1 1 1    6   15   14 o  635.596   11.146  524.243   18.350  502.841   25.971  545.577   25.930  621.823   16.124  647.816   15.453 -25.99359 22.33312 
1 1 1    6   15   15 o   99.384   37.187   10.003   12.904  -3.0470   16.852   28.500   20.063   88.572   38.719  146.648   46.808 -58.07620 60.74706 
1 1 1    6   15   16 o  622.852   10.895  503.538   17.578  507.200   36.045  502.396   20.134  622.952   22.338  621.932   12.498 1.020142 25.59667 
1 1 1    6   15   17 o  168.221   19.018   37.375   8.1415   31.650   19.289   38.616   8.9806  152.039   45.462  170.722   20.734 -18.68297 49.96646 
1 1 1    6   15   18 o  339.447   14.764  149.945   12.982  268.600   26.597  112.834   14.874  452.287   22.775  293.275   19.694 159.0112 30.10880 
1 1 1    6   15   19 o  126.473   25.421   21.765   8.0393 -11.7200   19.084   28.990   8.8642   84.771   38.773  146.731   24.163 -61.96033 45.68625 
1 1 1    6   15   20 o  331.391   12.449  142.831   10.686  107.800   22.471  153.068   12.148  283.236   31.142  342.913   13.676 -59.67731 34.01278 
1 1 1    6   15   21 o  243.220   14.696   77.403   9.2153   89.180   20.704   74.493   10.291  256.652   31.825  238.216   16.785 18.43608 35.98042 
1 1 1    6   15   22 o  137.519   23.309   25.616   8.0065   29.950   18.971   24.677   8.8315  146.178   45.365  134.199   26.346 11.97853 52.46035 
1 1 1    6   15   23 o  329.676   17.520  142.959   14.907  152.600   23.121  136.100   19.502  337.306   26.680  319.604   23.726 17.70184 35.70382 
1 1 1    6   15   24 o  153.404   21.885   31.776   8.4497   24.170   18.109   33.894   9.5536  132.282   44.595  157.868   24.129 -25.58553 50.70411 
1 1 1    6   15   25 o  281.642   13.106  103.749   9.5611   90.500   21.360  107.069   10.692  254.695   33.163  285.445   14.508 -30.74979 36.19739 
1 1 1    6   15   26 f  437.697   11.641  250.341   13.198  281.300   28.141  241.612   14.943  456.987   23.856  429.366   13.436 27.62000 27.37950 
1 1 1    6   15   27 f  168.477   22.233   38.683   9.4656   0.0000   0.0000   38.683   9.4656  ?   ?   168.477   22.233 0.000000 22.23299 
1 1 1    6   15   28 o  267.918   15.112   94.987   10.445  125.300   21.868   86.029   11.888  300.159   28.467  253.704   18.211 46.45425 33.79348 
1 1 1    6   15   29 o  292.464   14.779  113.260   11.159  139.700   23.346  105.429   12.705  315.609   28.877  280.887   17.550 34.72202 33.79143 
1 1 1    6   15   30 o  283.339   12.376  105.613   9.0830  119.276   13.110   93.000   12.596  298.616   17.020  262.733   18.629 35.88251 25.23287 
1 1 1    6   15   31 o  245.039   13.520   79.648   8.5485   69.585   12.089   89.711   12.089  225.272   20.959  257.671   18.230 -32.39896 27.77781 
1 1 1    6   15   32 o  209.356   20.812   60.513   11.137   0.0000   0.0000   60.513   11.137  ?   ?   209.356   20.812 0.000000 20.81240 
1 1 1    6   15   33 f  122.176   22.507   21.311   6.8604   30.491   9.8083   12.518   9.5993  143.883   27.316   92.822   32.429 51.06095 42.40042 
1 1 1    6   15   34 o  138.055   25.897   28.048   8.9206   29.963   11.125   24.600   14.929  138.899   31.630  120.322   40.491 18.57693 51.38049 
1 1 1    6   15   35 o   95.689   27.722   13.940   7.2681   2.0439   10.871   23.554   9.7734   71.871   31.265  122.540   30.820 -50.66875 43.90194 
1 1 1    6   15   36 o  154.165   19.896   33.592   7.7599   34.789   11.122   32.457   10.832  149.740   29.722  144.307   29.959 5.432724 42.20144 
1 1 1    6   15   37 o  106.595   28.518   17.936   8.0282   10.790   13.185   22.146   10.121   88.695   36.231  115.779   32.446 -27.08405 48.63535 
1 1 1    6   15   38 o  118.399   29.705   22.755   9.0951   25.026   11.545   19.040   14.766  119.426   35.037  102.446   39.443 16.97960 52.75762 
1 1 1    6   15   39 o   63.410   26.507   3.6225   7.2808   0.5577   9.9610   7.1381   10.669   64.479   28.889   76.607   32.061 -12.12778 43.15680 
1 1 1    6   15   40 o   56.043   25.288  -0.6856   7.7859   9.6394   11.297 -10.0287   10.746   80.512   33.283   53.744   25.906 26.76808 42.17633 
1 1 1    6   15   41 o   83.596   29.168   11.909   7.7643   15.201   11.340   9.0044   10.653   90.039   34.591   77.554   32.211 12.48476 47.26643 
1 1 1    6   15   42 o  193.036   16.836   53.510   8.3342   50.117   12.241   56.442   11.379  172.568   28.371  189.719   23.669 -17.15126 36.94776 
1 1 1    6   15   43 o   43.614   21.365 -11.0802   8.1494  -2.7668   11.517 -19.4163   11.533   60.390   28.452   47.536   23.666 12.85427 37.00781 
1 1 1    6   15   44 f   68.281   30.163   5.9076   10.475   6.8010   19.058   5.5209   12.539   75.530   35.884   69.806   31.734 5.724609 47.90323 
1 1 1    6   16    0 o  718.954   11.134  670.468   20.735  653.407   29.124  688.004   29.527  709.199   15.854  727.759   15.663 -18.55975 22.28631 
1 1 1    6   16    1 o  823.315   11.524  879.332   24.577  814.366   33.305  957.005   36.416  791.689   16.241  858.203   16.382 -66.51373 23.06756 
1 1 1    6   16    2 o  807.476   11.457  845.806   23.963  822.120   33.473  870.704   34.319  795.450   16.246  818.626   16.185 -23.17621 22.93174 
1 1 1    6   16    3 o  723.964   11.313  679.875   21.216  703.855   30.653  657.824   29.394  736.039   16.078  711.582   15.947 24.45697 22.64509 
1 1 1    6   16    4 o  610.568   11.427  483.592   18.072  490.866   25.824  476.610   25.300  614.647   16.220  605.667   16.126 8.980347 22.87199 
1 1 1    6   16    5 o  435.785   12.050  246.399   13.602  256.000   20.205  238.440   18.396  443.748   17.578  428.348   16.580 15.40051 24.16319 
1 1 1    6   16    6 f  247.639   16.028   80.010   10.226   77.679   15.071   81.999   13.922  242.824   24.287  249.958   21.718 -7.134171 32.58096 
1 1 1    6   16    7 o  281.214   13.694  102.667   9.9751  112.212   15.022   95.140   13.341  292.938   19.915  269.724   19.221 23.21481 27.67765 
1 1 1    6   16    8 o  423.517   11.500  232.713   12.616  223.588   18.056  241.417   17.635  414.721   16.808  431.032   15.795 -16.31125 23.06492 
1 1 1    6   16    9 o  849.092   11.620  935.477   25.557  968.168   37.103  905.962   35.254  862.971   16.598  834.843   16.302 28.12830 23.26507 
1 1 1    6   16   10 o  904.601   11.910  1061.98   27.906  1074.86   40.173  1049.97   38.795  909.100   17.060  898.596   16.667 10.50476 23.84987 
1 1 1    6   16   11 o  305.583   13.240  121.262   10.480  123.763   15.495  119.153   14.228  307.630   19.546  302.010   18.273 5.620331 26.75749 
1 1 1    6   16   12 o  461.484   11.437  276.401   13.672  253.872   19.689  297.379   18.999  441.696   17.209  478.280   15.336 -36.58344 23.05070 
1 1 1    6   16   13 o  413.094   17.974  222.223   19.233  221.800   27.998  222.600   26.465  410.576   26.467  411.680   24.935 -1.103394 36.36341 
1 1 1    6   16   14 o  275.315   18.616   99.229   13.198  106.037   17.015   88.950   20.909  283.801   23.353  257.824   31.997 25.97656 39.61269 
1 1 1    6   16   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   16   16 o  455.539   24.092  272.800   28.328  272.800   28.328   0.0000   0.0000  455.539   24.092  ?   ?  0.000000 24.09249 
1 1 1    6   16   17 o  165.579   20.413   36.375   8.5698   24.810   19.940   38.995   9.4910  138.551   46.795  171.227   21.901 -32.67587 51.66679 
1 1 1    6   16   18 o  451.978   11.184  265.420   13.094  250.100   28.206  269.628   14.783  435.266   25.124  455.362   12.533 -20.09604 28.07656 
1 1 1    6   16   19 o  387.646   11.598  195.364   11.646  188.600   25.232  197.194   13.127  377.167   25.985  389.266   13.019 -12.09918 29.06432 
1 1 1    6   16   20 o  329.582   14.998  141.702   12.804  175.800   24.717  129.195   14.969  363.472   26.434  313.587   18.510 49.88492 32.27044 
1 1 1    6   16   21 o  311.552   13.028  126.498   10.513  153.500   24.081  120.139   11.686  338.486   27.708  303.335   14.873 35.15063 31.44740 
1 1 1    6   16   22 o  238.706   22.219   75.966   13.581   62.440   21.482   84.970   17.528  209.110   41.126  250.778   27.430 -41.66798 49.43423 
1 1 1    6   16   23 o  132.888   27.282   24.516   9.0765  -1.3300   19.970   31.246   10.190   95.854   42.019  150.491   27.138 -54.63714 50.02102 
1 1 1    6   16   24 o  122.399   25.766   20.846   7.9108   36.900   19.598   17.721   8.6466  157.060   45.527  112.131   29.406 44.92976 54.19794 
1 1 1    6   16   25 o  301.164   13.601  118.922   10.610  142.800   23.336  112.699   11.913  322.550   28.215  292.153   15.801 30.39694 32.33799 
1 1 1    6   16   26 o  320.523   13.409  134.855   11.133   67.650   25.015  151.454   12.432  208.518   47.389  339.423   14.140 -130.9061 49.45353 
1 1 1    6   16   27 o  113.046   35.351   18.480   11.496   0.0000   0.0000   18.480   11.496  ?   ?   113.046   35.351 0.000000 35.35065 
1 1 1    6   16   28 o  332.294   12.899  145.198   11.102  157.200   24.196  141.997   12.495  335.498   28.101  327.868   14.713 7.630280 31.72003 
1 1 1    6   16   29 o  195.020   17.531   51.183   8.7614   64.470   20.602   48.249   9.6803  204.438   40.337  188.172   20.175 16.26617 45.10125 
1 1 1    6   16   30 o  143.932   19.957   28.521   7.2403   55.050   19.547   24.303   7.7948  185.770   41.650  131.050   23.841 54.72008 47.99032 
1 1 1    6   16   31 o  281.120   15.066  105.696   10.931   88.840   21.796  111.360   12.635  240.723   36.066  287.310   17.054 -46.58672 39.89434 
1 1 1    6   16   32 o  231.137   13.450   71.279   8.0181   86.483   11.224   55.435   11.458  252.337   17.276  198.410   22.703 53.92639 28.52875 
1 1 1    6   16   33 o   65.587   27.658   2.4742   8.0365  -2.4772   9.7691   12.840   14.135   62.494   28.251   96.556   38.174 -34.06188 47.49023 
1 1 1    6   16   34 o  163.412   22.841   38.368   9.4041   41.030   18.007   37.370   11.027  149.922   43.692  157.490   28.060 -7.567307 51.92672 
1 1 1    6   16   35 o  101.761   27.823   16.005   7.5444   24.431   10.965   8.4299   10.397  121.955   33.624   81.919   32.627 40.03657 46.85183 
1 1 1    6   16   36 o   85.599   28.425   11.225   7.3598   9.7445   10.189   12.840   10.643   83.633   32.606   90.957   33.824 -7.323799 46.98065 
1 1 1    6   16   37 o   59.977   27.415  -2.4203   9.5205 -11.1100   13.269   6.8000   13.668   60.951   29.226   81.702   35.299 -20.75125 45.82714 
1 1 1    6   16   38 o   81.420   27.768   10.424   7.0219   13.878   9.4056   6.0745   10.554   90.889   32.075   74.724   31.614 16.16454 45.03551 
1 1 1    6   16   39 o   59.868   26.131   1.7054   7.6496  -7.3832   11.393   9.1651   10.322   57.967   27.599   78.960   32.133 -20.99324 42.35837 
1 1 1    6   16   40 o  112.095   26.362   20.572   7.5261   26.338   10.612   14.738   10.675  119.683   33.113   89.458   33.752 30.22519 47.28314 
1 1 1    6   16   41 o  140.173   22.789   30.575   7.9901   36.706   12.512   26.354   10.383  138.321   34.917  118.714   32.716 19.60680 47.84864 
1 1 1    6   16   42 o   52.243   24.373  -2.8855   8.1080   0.6263   11.640  -6.1954   11.300   64.446   29.768   56.712   27.134 7.733639 40.27888 
1 1 1    6   16   43 o   76.388   33.516   10.148   12.730   32.160   19.300  -6.8020   16.936  101.657   42.865   64.607   31.464 37.05029 53.17293 
1 1 1    6   16   44 o  124.694   27.880   28.162   8.7792   32.037   12.291   24.125   12.544  117.865   36.503   98.379   36.694 19.48616 51.75848 
1 1 1    6   17    0 o  552.831   11.413  396.506   16.344  371.562   22.907  422.372   23.326  534.656   16.540  570.131   15.795 -35.47571 22.87043 
1 1 1    6   17    1 o  801.171   11.714  832.831   24.310  840.003   34.866  826.045   33.914  803.856   16.744  797.205   16.423 6.650879 23.45397 
1 1 1    6   17    2 f  1232.12   13.983  1971.30   44.628  2019.06   64.648  1927.81   61.685  1245.26   20.042  1216.95   19.568 28.31592 28.01078 
1 1 1    6   17    3 o  244.534   15.920   78.035   10.029   81.731   14.430   74.581   13.949  249.357   22.586  238.058   22.903 11.29889 32.16658 
1 1 1    6   17    4 o  559.099   11.008  405.520   15.943  389.345   22.724  421.200   22.373  547.331   16.028  569.385   15.170 -22.05322 22.06827 
1 1 1    6   17    5 o  544.940   15.732  385.929   22.207  385.929   22.207   0.0000   0.0000  544.940   15.732  ?   ?  0.000000 15.73221 
1 1 1    6   17    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   17    7 o  537.836   15.208  375.917   21.187   0.0000   0.0000  375.917   21.187  ?   ?   537.836   15.208 0.000000 15.20797 
1 1 1    6   17    8 o  658.578   11.086  562.789   18.911  550.588   26.818  574.857   26.671  650.756   15.910  665.012   15.483 -14.25549 22.20031 
1 1 1    6   17    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   17   10 f  891.089   12.075  1030.89   27.872  1016.57   39.766  1044.72   39.078  883.740   17.371  896.024   16.837 -12.28467 24.19180 
1 1 1    6   17   11 o  310.731   19.937  126.426   15.963  115.600   22.655  137.100   22.495  294.982   30.069  322.177   27.210 -27.19452 40.55306 
1 1 1    6   17   12 o  308.835   20.806  125.068   16.547  122.600   24.307  127.200   22.590  303.389   31.384  309.829   28.466 -6.439789 42.37043 
1 1 1    6   17   13 o  511.115   11.491  339.223   15.213  354.378   22.578  326.621   20.588  521.653   16.709  500.942   15.867 20.71155 23.04194 
1 1 1    6   17   14 o  297.950   14.678  115.499   11.328  133.452   17.756  103.176   14.711  318.713   21.636  280.294   20.402 38.41843 29.73755 
1 1 1    6   17   15 o  437.124   12.391  248.340   14.030  218.362   20.466  274.919   19.271  408.873   19.324  459.354   16.196 -50.48169 25.21324 
1 1 1    6   17   16 o  474.965   11.953  293.208   14.706  294.189   22.167  292.437   19.653  474.694   18.028  473.677   16.017 1.017365 24.11554 
1 1 1    6   17   17 o  371.404   13.900  179.591   13.372  253.500   27.171  155.967   15.362  438.368   24.020  345.644   17.158 92.72397 29.51865 
1 1 1    6   17   18 o  297.002   13.396  114.865   10.306  101.600   22.603  118.346   11.579  274.027   32.475  301.285   14.837 -27.25842 35.70401 
1 1 1    6   17   19 o  328.054   12.778  140.157   10.858  159.800   24.458  135.335   12.118  345.824   27.531  322.102   14.524 23.72177 31.12735 
1 1 1    6   17   20 o  485.096   13.538  306.935   17.011  285.700   30.069  316.931   20.630  463.403   25.144  492.190   16.182 -28.78622 29.90095 
1 1 1    6   17   21 o  326.904   18.654  141.002   15.730  155.300   24.519  131.000   20.507  339.258   28.155  312.541   25.554 26.71710 38.02302 
1 1 1    6   17   22 o  379.376   12.186  187.852   11.975  172.100   26.491  191.898   13.426  355.774   28.998  383.097   13.529 -27.32297 31.99922 
1 1 1    6   17   23 o  188.053   18.477   47.162   8.8843   37.490   21.850   49.078   9.7244  157.425   48.657  191.434   19.902 -34.00948 52.56960 
1 1 1    6   17   24 o   87.865   29.081   10.258   7.7056   15.430   20.434   9.4007   8.3198  116.995   46.011   86.260   30.188 30.73522 55.02978 
1 1 1    6   17   25 o   79.283   28.854   7.4587   7.6766   12.850   19.524   6.4728   8.3490  110.896   44.525   78.193   29.766 32.70306 53.55832 
1 1 1    6   17   26 o  111.660   35.107   18.016   11.320   0.0000   0.0000   18.016   11.320  ?   ?   111.660   35.107 0.000000 35.10712 
1 1 1    6   17   27 o  199.449   16.772   53.219   8.5845   76.150   20.909   48.570   9.4146  226.626   36.888  189.432   19.463 37.19333 41.70763 
1 1 1    6   17   28 o  128.243   25.600   23.418   8.2062   39.650   19.505   19.927   9.0458  155.810   45.492  116.586   29.831 39.22351 54.40024 
1 1 1    6   17   29 o   81.693   29.117   8.7110   7.7694   6.4060   18.201   9.2246   8.5915   96.049   41.103   84.373   30.552 11.67535 51.21428 
1 1 1    6   17   30 o   66.879   27.354   3.3749   7.5277 -20.1100   18.388   8.1031   8.2508   70.320   33.894   80.282   29.796 -9.961456 45.12832 
1 1 1    6   17   31 o  140.023   21.505   27.636   7.5503   6.3260   18.366   31.970   8.2826   93.537   40.664  150.582   21.874 -57.04518 46.17398 
1 1 1    6   17   32 o  155.106   25.518   35.145   9.8958   56.410   18.610   26.762   11.685  183.287   40.297  129.126   34.339 54.16087 52.94306 
1 1 1    6   17   33 o  139.235   23.080   28.071   8.0324   49.430   19.181   23.529   8.8454  164.756   44.080  124.111   28.160 40.64471 52.30750 
1 1 1    6   17   34 o  112.117   28.710   19.602   8.3742   10.310   18.024   22.160   9.4569   94.142   40.604  118.039   30.656 -23.89685 50.87693 
1 1 1    6   17   35 o   77.830   27.626   8.7726   6.9873   4.2238   10.230   12.750   9.5663   72.783   30.972   90.306   32.296 -17.52357 44.74726 
1 1 1    6   17   36 o  217.724   17.390   66.160   9.7257   85.640   17.294   57.149   11.762  233.658   29.212  196.550   23.572 37.10760 37.53642 
1 1 1    6   17   37 o   77.732   29.590   8.8792   8.2508   24.422   10.831 -12.6100   12.735  117.807   33.758   57.696   27.906 60.11099 43.79934 
1 1 1    6   17   38 o  134.717   22.578   27.484   7.6001   29.515   12.159   26.182   9.7365  125.716   35.680  123.985   30.522 1.731445 46.95376 
1 1 1    6   17   39 o   95.216   27.732   15.326   7.2561   15.775   11.112   14.993   9.5808   91.592   34.462   90.859   32.339 0.7330627 47.25948 
1 1 1    6   17   40 o   45.234   21.846  -8.2566   7.7311   8.6380   11.457 -22.3827   10.476   76.399   32.650   43.487   21.787 32.91248 39.25187 
1 1 1    6   17   41 o   53.084   24.368  -1.2973   7.6324   1.5648   10.249  -4.8608   11.436   63.181   28.710   58.260   27.713 4.921215 39.90390 
1 1 1    6   17   42 o   59.522   27.343   0.3859   9.6324   1.2812   11.887  -1.3260   16.438   64.486   29.890   67.945   32.566 -3.458710 44.20350 
1 1 1    6   17   43 f   63.747   28.668   3.9829   9.9095 -10.0400   18.815   9.3664   11.658   63.471   31.357   73.091   32.071 -9.619976 44.85318 
1 1 1    6   18    0 o  467.887   11.490  284.100   13.925  266.572   20.082  300.334   19.326  452.670   17.127  480.672   15.522 -28.00165 23.11390 
1 1 1    6   18    1 o  671.943   11.169  585.882   19.440  590.910   27.900  581.138   27.101  674.152   15.977  668.607   15.648 5.544983 22.36361 
1 1 1    6   18    2 o  177.874   20.412   41.770   9.2344   32.009   13.621   50.072   12.562  152.803   35.146  194.020   25.622 -41.21709 43.49408 
1 1 1    6   18    3 o  143.858   24.696   27.801   8.8711   15.979   13.222   37.479   11.963  113.237   38.107  166.767   28.731 -53.52991 47.72418 
1 1 1    6   18    4 o  639.454   11.068  530.615   18.333  529.632   26.285  531.545   25.581  638.207   15.900  639.430   15.445 -1.223816 22.16645 
1 1 1    6   18    5 o  483.442   11.146  303.306   13.958  297.606   20.013  308.704   19.478  478.352   16.152  487.278   15.432 -8.926025 22.33855 
1 1 1    6   18    6 o  335.453   14.806  146.271   12.865  157.500   25.629  142.489   14.875  345.173   28.932  330.402   17.442 14.77148 33.78293 
1 1 1    6   18    7 o  421.690   13.711  231.048   14.976  251.800   28.587  223.199   17.582  437.826   25.315  414.181   16.388 23.64511 30.15676 
1 1 1    6   18    8 o  593.231   16.611  458.027   25.526  486.500   37.012  432.200   35.250  609.923   23.427  574.819   23.674 35.10345 33.30606 
1 1 1    6   18    9 o  753.324   16.915  738.885   33.006  753.700   47.814  725.400   45.619  758.705   24.330  744.546   23.654 14.15924 33.93264 
1 1 1    6   18   10 o  538.538   13.686  376.989   19.092  358.736   23.066  416.700   34.022  524.828   16.967  564.260   23.277 -39.43219 28.80452 
1 1 1    6   18   11 o  301.044   14.372  117.873   11.207  109.827   16.344  125.014   15.397  288.961   22.000  308.911   19.339 -19.95004 29.29224 
1 1 1    6   18   12 o  539.124   11.652  377.552   16.272  369.446   23.562  384.942   22.499  532.407   17.085  543.673   15.976 -11.26617 23.39065 
1 1 1    6   18   13 o  413.693   12.503  222.459   13.398  220.124   19.925  224.385   18.102  410.593   18.734  414.869   16.844 -4.276215 25.19322 
1 1 1    6   18   14 o  629.196   11.586  514.449   18.882  501.843   27.332  525.960   26.117  620.244   17.012  635.268   15.871 -15.02386 23.26604 
1 1 1    6   18   15 o  322.848   13.955  135.704   11.670  121.018   18.184  145.989   15.218  302.592   23.381  333.881   17.658 -31.28922 29.29979 
1 1 1    6   18   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   18   17 o  489.230   12.015  311.449   15.226  298.735   22.352  322.456   20.797  477.731   18.063  496.858   16.159 -19.12766 24.23607 
1 1 1    6   18   18 o  341.591   12.568  151.997   11.120  177.700   24.453  145.295   12.486  365.061   26.030  333.668   14.447 31.39279 29.76977 
1 1 1    6   18   19 o  360.396   17.867  170.449   16.680  168.300   25.764  172.000   21.885  353.601   28.368  359.557   23.629 -5.956085 36.91965 
1 1 1    6   18   20 o  159.558   21.459   34.258   8.6444   31.790   21.864   34.715   9.4112  148.933   48.970  160.095   23.384 -11.16203 54.26674 
1 1 1    6   18   21 o  117.670   27.393   19.373   8.1933   49.320   21.574   14.326   8.8569  181.572   45.859  101.863   30.884 79.70853 55.28910 
1 1 1    6   18   22 o  286.210   13.803  107.372   10.233  103.800   23.893  108.174   11.325  271.202   34.815  286.494   15.316 -15.29208 38.03500 
1 1 1    6   18   23 o  257.778   14.879   87.701   9.8931   99.960   24.742   85.368   10.793  263.185   37.341  253.769   16.510 9.416122 40.82779 
1 1 1    6   18   24 o  345.454   16.424  157.898   14.697  112.400   26.754  177.561   17.588  277.104   38.296  364.771   18.677 -87.66678 42.60773 
1 1 1    6   18   25 o  198.837   25.312   54.786   12.742   0.0000   0.0000   54.786   12.742  ?   ?   198.837   25.312 0.000000 25.31246 
1 1 1    6   18   26 o   60.513   26.378  -0.5074   7.7714  -3.4540   18.731   0.1053   8.5412   87.182   39.292   64.416   27.867 22.76570 48.17049 
1 1 1    6   18   27 o  102.932   29.399   15.440   8.2280   33.010   19.276   11.526   9.0985  142.174   45.935   91.665   31.597 50.50887 55.75285 
1 1 1    6   18   28 o   75.140   27.966   6.7381   7.2789   17.690   17.066   4.3028   8.0476  111.534   42.533   70.848   28.536 40.68530 51.21913 
1 1 1    6   18   29 f  115.017   26.306   19.353   7.6670   30.060   19.152   17.310   8.3667  132.714   45.838  107.622   29.248 25.09163 54.37409 
1 1 1    6   18   30 o   63.481   26.633   2.2513   7.3898   13.160   18.322   0.1321   8.0757  102.329   42.351   61.529   26.853 40.79934 50.14689 
1 1 1    6   18   31 o  103.438   28.859   16.360   8.0253   17.480   18.655   16.105   8.8900  107.204   43.353  101.972   30.948 5.232368 53.26598 
1 1 1    6   18   32 o  228.430   22.142   74.260   12.937   69.470   19.285   78.180   17.444  204.771   37.748  225.705   30.628 -20.93338 48.61073 
1 1 1    6   18   33 o   93.487   27.946   13.509   7.2898   3.3920   17.207   15.722   8.0477   84.621   37.937  100.040   29.225 -15.41910 47.88883 
1 1 1    6   18   34 o  104.683   27.887   17.206   7.6977   44.030   18.698   11.732   8.4468  149.448   44.776   87.160   30.422 62.28806 54.13274 
1 1 1    6   18   35 o   68.592   26.608   5.8885   6.7590   5.0710   14.380   6.1203   7.6576   80.262   35.404   70.835   28.068 9.426788 45.18049 
1 1 1    6   18   36 o   84.725   35.097   10.380   12.599   0.0000   0.0000   10.380   12.599  ?   ?    84.725   35.097 0.000000 35.09701 
1 1 1    6   18   37 o   71.788   27.152   7.4889   6.9191   6.0524   9.2522   9.3117   10.422   71.613   29.904   79.423   32.301 -7.809975 44.01863 
1 1 1    6   18   38 o   69.458   28.176   6.4442   7.9059   2.5500   11.533   9.8962   10.859   68.617   30.886   79.462   32.718 -10.84560 44.99361 
1 1 1    6   18   39 o   74.305   29.106   8.8103   8.1486   25.092   11.701  -6.5230   11.355  110.907   35.783   57.176   27.313 53.73152 45.01582 
1 1 1    6   18   40 o  147.427   24.289   35.034   8.9526   26.386   12.700   43.577   12.622  109.068   37.343  152.714   32.881 -43.64531 49.75609 
1 1 1    6   18   41 f   41.981   20.701 -12.3315   8.0681 -10.0241   11.400 -14.6469   11.420   52.953   25.794   49.703   24.532 3.249821 35.59702 
1 1 1    6   18   42 o   81.250   34.780   14.722   13.038   16.580   20.003   13.350   17.192   81.608   38.144   78.917   36.355 2.691162 52.69337 
1 1 1    6   18   43 o   51.080   24.173  -2.8336   8.4839   5.9800   12.314 -10.7986   11.706   67.112   30.861   51.198   25.186 15.91485 39.83372 
1 1 1    6   19    0 o  725.731   13.172  684.252   24.762  708.306   30.968  641.600   41.236  737.793   16.204  700.614   22.722 37.17902 27.90822 
1 1 1    6   19    1 o  124.531   34.353   21.144   11.442   26.518   14.221   11.280   19.268  139.079   38.271  114.649   44.799 24.42994 58.92039 
1 1 1    6   19    2 o  526.841   13.472  360.661   18.384  369.310   22.613  343.800   31.574  532.703   16.388  512.610   23.779 20.09277 28.87897 
1 1 1    6   19    3 o  321.059   15.740  134.108   13.090  122.003   15.837  160.200   23.252  305.137   20.151  348.632   25.934 -43.49496 32.84223 
1 1 1    6   19    4 o  382.506   14.781  190.265   14.645  173.230   18.227  221.300   24.602  363.942   19.404  410.669   23.222 -46.72754 30.26219 
1 1 1    6   19    5 o  770.932   13.539  772.441   27.037  776.026   33.137  765.300   46.762  772.051   16.570  764.652   23.609 7.399414 28.84373 
1 1 1    6   19    6 o  870.635   17.115  987.353   38.598  987.353   38.598   0.0000   0.0000  870.635   17.115  ?   ?  0.000000 17.11515 
1 1 1    6   19    7 o  685.600   11.456  610.396   20.346  629.042   29.823  594.164   27.826  694.990   16.566  675.595   15.901 19.39496 22.96251 
1 1 1    6   19    8 o  329.391   13.790  141.082   11.766  145.898   17.549  137.149   15.859  333.571   20.408  323.645   19.001 9.925507 27.88412 
1 1 1    6   19    9 o  409.634   12.416  218.060   13.175  210.912   19.204  224.415   18.108  402.048   18.440  414.973   16.846 -12.92496 24.97643 
1 1 1    6   19   10 o  456.154   12.234  270.419   14.455  247.423   20.711  292.262   20.185  435.393   18.364  473.562   16.455 -38.16919 24.65781 
1 1 1    6   19   11 o  438.068   18.370  250.588   20.845  250.588   20.845   0.0000   0.0000  438.068   18.370  ?   ?  0.000000 18.37033 
1 1 1    6   19   12 o  548.708   11.847  391.361   16.839  356.789   24.013  424.805   23.618  522.739   17.734  570.828   15.973 -48.08887 23.86739 
1 1 1    6   19   13 o  300.224   15.254  117.786   11.823  114.136   17.664  120.748   15.914  293.751   23.408  302.936   20.399 -9.184784 31.04978 
1 1 1    6   19   14 o  247.414   26.746   81.851   16.868   81.851   16.868   0.0000   0.0000  247.414   26.746  ?   ?  0.000000 26.74640 
1 1 1    6   19   15 o  498.772   12.232  323.771   15.803  341.171   24.345  311.099   20.776  510.432   18.413  487.960   16.437 22.47253 24.68225 
1 1 1    6   19   16 f  380.089   17.616  189.198   17.344   0.0000   0.0000  189.198   17.344  ?   ?   380.089   17.616 0.000000 17.61609 
1 1 1    6   19   17 o  211.738   25.674   60.393   13.793   23.920   22.131   83.560   17.638  136.528   49.091  248.761   27.851 -112.2328 56.44110 
1 1 1    6   19   18 o  273.506   21.078   99.382   14.818  117.200   23.765   88.050   18.953  292.676   31.863  254.359   29.301 38.31715 43.28722 
1 1 1    6   19   19 o   81.581   29.535   7.7115   8.0282   58.380   20.922  -1.0369   8.6937  200.476   41.651   64.062   27.912 136.4142 50.13867 
1 1 1    6   19   20 o  193.299   17.516   49.653   8.6753   43.680   23.177   50.626   9.3553  168.937   49.666  194.839   18.769 -25.90263 53.09431 
1 1 1    6   19   21 o  162.821   21.463   35.946   8.8316   74.330   21.833   28.437   9.6569  226.193   38.653  142.617   27.132 83.57578 47.22467 
1 1 1    6   19   22 f  174.211   19.772   40.937   8.7644   11.540   21.961   46.506   9.5586  112.735   46.486  185.656   20.202 -72.92105 50.68631 
1 1 1    6   19   23 o  175.406   20.253   41.705   9.0330   33.650   23.354   43.122   9.7954  146.187   50.610  177.820   21.718 -31.63292 55.07258 
1 1 1    6   19   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   19   25 o  157.503   21.171   34.086   8.4187   34.210   20.524   34.060   9.2310  144.910   47.437  156.439   23.507 -11.52916 52.94181 
1 1 1    6   19   26 f   95.170   27.744   13.069   7.2597 -17.2400   21.164   17.111   7.7286   79.642   37.831  108.467   27.476 -28.82528 46.75619 
1 1 1    6   19   27 o  111.604   26.884   18.191   7.6797   30.550   17.961   15.425   8.4954  135.705   44.373  102.116   30.083 33.58897 53.60944 
1 1 1    6   19   28 o   94.582   28.534   13.190   7.5741   21.020   16.057   10.950   8.5897  115.340   41.768   88.248   30.685 27.09126 51.82793 
1 1 1    6   19   29 o  229.611   15.316   71.060   9.0573   92.210   20.735   66.073   10.069  245.076   33.543  219.855   17.834 25.22113 37.98903 
1 1 1    6   19   30 o   67.790   27.717   3.9972   7.7247  -5.1320   18.222   5.9971   8.5290   79.568   36.926   74.238   29.557 5.329803 47.29797 
1 1 1    6   19   31 f  109.484   34.958   19.783   11.189   8.3220   19.928   25.060   13.522   94.421   41.663  120.321   38.430 -25.89947 56.68086 
1 1 1    6   19   32 o   96.678   28.847   14.658   7.7726   11.040   19.807   15.316   8.4504   95.946   41.959   98.188   30.244 -2.241875 51.72312 
1 1 1    6   19   33 o  155.699   20.411   34.740   8.0338   43.700   16.203   31.819   9.2509  155.027   40.062  145.167   25.534 9.860184 47.50708 
1 1 1    6   19   34 o   96.455   28.932   15.032   7.8033   37.340   18.485   10.195   8.6079  133.005   45.055   82.132   30.443 50.87371 54.37596 
1 1 1    6   19   35 o   65.155   28.999   1.1086   9.8605   0.0000   0.0000   1.1086   9.8605  ?   ?    65.155   28.999 0.000000 28.99920 
1 1 1    6   19   36 o   56.496   25.322  -0.2203   7.6610 -16.9200   16.403   4.4390   8.6641   61.871   30.309   67.382   28.583 -5.511082 41.66078 
1 1 1    6   19   37 o  184.919   18.336   49.595   8.6669   32.620   20.445   53.314   9.5692  110.623   45.145  190.237   19.705 -79.61337 49.25764 
1 1 1    6   19   38 o   83.508   31.959   12.696   9.6567   22.590   18.856   9.1783   11.243   95.673   41.397   76.865   32.580 18.80798 52.67963 
1 1 1    6   19   39 o  102.517   32.864   20.833   9.8818   9.3060   19.695   24.712   11.424   80.029   37.547  108.324   35.387 -28.29442 51.59451 
1 1 1    6   19   40 o   61.379   26.278   4.1811   7.4450   4.4617   9.7162   3.7821   11.587   65.380   28.958   66.887   30.445 -1.506767 42.01754 
1 1 1    6   19   41 o   75.649   33.732   10.824   13.408  -1.5560   20.191   20.590   17.932   69.298   33.879   86.025   38.637 -16.72768 51.38690 
1 1 1    6   19   42 o   44.293   21.711  -9.6747   8.4538  -4.7699   12.148 -14.2811   11.772   56.530   27.321   49.135   24.369 7.394928 36.61032 
1 1 1    6   20    0 o  562.383   11.483  410.772   16.728  419.207   24.591  403.506   22.823  567.237   16.736  556.687   15.827 10.55029 23.03493 
1 1 1    6   20    1 o  160.964   24.042   34.688   9.7168   29.143   14.578   39.122   13.035  145.141   38.240  169.609   30.804 -24.46719 49.10330 
1 1 1    6   20    2 o  143.845   26.215   28.007   9.4078   27.359   13.410   28.636   13.202  140.736   36.482  143.966   35.601 -3.229950 50.97474 
1 1 1    6   20    3 o  510.288   11.630  338.244   15.373  318.805   21.771  357.576   21.710  494.583   16.993  523.982   15.996 -29.39877 23.33742 
1 1 1    6   20    4 o  311.977   14.594  126.652   11.793  135.332   17.332  119.169   16.093  321.026   20.958  301.204   20.754 19.82236 29.49461 
1 1 1    6   20    5 o  687.059   11.595  613.244   20.636  589.175   29.192  637.284   29.175  672.326   16.763  699.408   16.104 -27.08167 23.24469 
1 1 1    6   20    6 o  512.025   16.141  341.616   21.408   0.0000   0.0000  341.616   21.408  ?   ?   512.025   16.141 0.000000 16.14118 
1 1 1    6   20    7 o  737.174   16.035  708.191   30.619   0.0000   0.0000  708.191   30.619  ?   ?   737.174   16.035 0.000000 16.03499 
1 1 1    6   20    8 o  331.683   13.819  143.169   11.873  136.709   18.368  147.806   15.561  322.176   22.145  335.994   17.944 -13.81754 28.50226 
1 1 1    6   20    9 o  210.552   19.059   58.425   10.282   71.936   15.914   48.744   13.471  231.990   26.987  190.088   28.215 41.90135 39.04399 
1 1 1    6   20   10 o  285.676   15.672  106.731   11.553  103.973   17.462  108.877   15.407  280.049   24.313  287.491   20.831 -7.441559 32.01637 
1 1 1    6   20   11 o  296.939   15.390  115.291   11.797  115.190   17.427  115.378   16.027  295.100   22.980  295.836   21.052 -0.7362366 31.16492 
1 1 1    6   20   12 o  362.041   18.694  172.060   17.472   0.0000   0.0000  172.060   17.472  ?   ?   362.041   18.694 0.000000 18.69422 
1 1 1    6   20   13 o  233.434   18.219   71.782   10.929   93.486   16.957   56.360   14.294  264.784   25.020  204.256   27.734 60.52707 37.35151 
1 1 1    6   20   14 o  446.465   12.451  259.635   14.399  264.701   21.828  255.732   19.160  449.185   18.760  442.088   16.731 7.096954 25.13699 
1 1 1    6   20   15 f  431.909   16.807  244.361   18.803  233.500   28.160  253.100   25.259  418.127   26.131  437.125   22.383 -18.99847 34.40699 
1 1 1    6   20   16 o   90.769   34.362   8.5861   11.087 -13.8500   15.701   30.900   15.659   72.023   33.705  146.742   40.068 -74.71943 52.35940 
1 1 1    6   20   17 o  217.757   19.556   63.073   10.913   56.116   16.905   68.044   14.290  200.159   33.810  224.436   25.005 -24.27716 42.05176 
1 1 1    6   20   18 o  219.273   18.356   63.889   10.330   77.496   15.948   54.054   13.559  238.694   26.225  198.581   27.064 40.11276 37.68587 
1 1 1    6   20   19 f  174.058   19.757   40.701   8.7501   58.780   20.440   36.644   9.6821  199.717   40.887  163.830   23.487 35.88683 47.15289 
1 1 1    6   20   20 o  139.579   24.499   27.002   8.5345   27.340   22.045   26.942   9.2563  137.043   49.025  138.623   26.747 -1.579910 55.84705 
1 1 1    6   20   21 o   75.504   29.152   5.7220   8.0834   1.9440   18.882   6.5697   8.9444   94.705   41.202   79.700   30.695 15.00525 51.37862 
1 1 1    6   20   22 o  180.996   19.071   44.239   8.8066   0.0000   0.0000   44.239   8.8066  ?   ?   180.996   19.071 0.000000 19.07116 
1 1 1    6   20   23 o  340.336   17.969  155.109   15.785   0.0000   0.0000  155.109   15.785  ?   ?   340.336   17.969 0.000000 17.96898 
1 1 1    6   20   24 o  144.663   21.106   28.883   7.6760   37.220   20.621   27.542   8.2703  149.772   47.418  140.152   23.621 9.620148 52.97570 
1 1 1    6   20   25 o   61.213   26.443   0.2903   7.6683   12.690   18.363  -2.3287   8.4394  105.048   42.817   59.415   26.608 45.63279 50.41117 
1 1 1    6   20   26 o  116.336   26.603   19.770   7.8424   19.220   19.937   19.871   8.5300  115.008   45.378  115.781   28.608 -0.7733612 53.64334 
1 1 1    6   20   27 o  111.160   27.761   18.407   7.9694   5.5090   20.184   20.789   8.6742   95.693   42.089  117.785   28.695 -22.09133 50.94032 
1 1 1    6   20   28 o   62.726   26.869   1.3756   7.7910   29.610   19.353  -4.0853   8.5112  128.194   45.926   56.098   25.745 72.09640 52.65000 
1 1 1    6   20   29 o   85.739   32.358   10.156   9.8125   10.850   17.905   9.8586   11.731   96.267   40.971   87.430   34.709 8.837006 53.69660 
1 1 1    6   20   30 o   78.071   32.037   6.5479   10.368   4.3980   15.450   8.3090   13.984   83.396   36.747   86.709   36.520 -3.313332 51.80811 
1 1 1    6   20   31 o  175.424   19.188   43.392   8.5768   36.690   20.672   44.785   9.4265  132.166   47.453  176.877   20.984 -44.71130 51.88569 
1 1 1    6   20   32 o   66.808   27.559   4.2308   7.7222   3.4100   18.553   4.4028   8.4928   84.622   38.521   68.937   28.707 15.68539 48.04104 
1 1 1    6   20   33 o  101.051   28.351   16.484   7.7228   7.4240   17.950   18.542   8.5551   86.781   38.838  106.155   29.860 -19.37350 48.98985 
1 1 1    6   20   34 o   55.357   25.317  -2.1796   8.1339   0.0000   0.0000  -2.1796   8.1339  ?   ?    55.357   25.317 0.000000 25.31729 
1 1 1    6   20   35 o   54.103   25.328  -4.4202   8.8790 -10.8600   17.865  -2.3076   10.232   68.105   32.968   60.412   27.906 7.693054 43.19335 
1 1 1    6   20   36 o   64.205   26.728   4.6047   7.3586   9.1420   18.497   3.7516   8.0206   83.063   38.058   63.738   27.281 19.32478 46.82601 
1 1 1    6   20   37 o   53.707   24.809  -1.9676   8.0871   3.1200   18.451  -3.1774   8.9973   75.735   35.782   54.636   25.551 21.09972 43.96827 
1 1 1    6   20   38 o   77.252   29.807   10.594   8.4467   4.1560   19.481   12.084   9.3736   75.513   35.990   80.551   31.310 -5.037910 47.70342 
1 1 1    6   20   39 o   49.919   23.838  -5.4439   8.6343 -12.6300   17.883  -3.2593   9.8597   62.141   30.676   55.348   26.152 6.793671 40.31032 
1 1 1    6   20   40 o   58.867   27.211   0.6350   9.7533   3.9350   19.300  -0.4968   11.303   71.740   34.615   60.195   28.306 11.54536 44.71475 
1 1 1    6   20   41 o   81.095   32.795   15.128   10.675   23.460   19.851   11.739   12.661   83.841   38.778   74.429   33.007 9.412308 50.92347 
1 1 1    6   20   42 o   83.722   32.886   17.554   10.427   10.440   19.290   20.490   12.394   70.784   34.263   85.389   35.032 -14.60471 49.00201 
1 1 1    6   21    0 f  183.501   22.245   44.785   10.357   16.924   15.192   68.982   14.158  117.168   40.804  227.816   24.370 -110.6484 47.52758 
1 1 1    6   21    1 o  198.718   21.115   52.293   10.702   56.450   15.600   48.597   14.710  204.284   30.407  189.061   31.121 15.22270 43.50981 
1 1 1    6   21    2 o  202.455   20.155   54.159   10.429   53.701   15.647   54.525   13.990  198.852   31.421  201.455   27.530 -2.602829 41.77563 
1 1 1    6   21    3 o  419.311   12.852  228.708   13.959  249.723   20.742  211.310   18.872  437.177   18.316  402.188   18.115 34.98834 25.76114 
1 1 1    6   21    4 o  298.782   15.571  116.682   12.009  129.901   18.129  106.346   16.031  313.809   22.451  283.896   21.970 29.91238 31.41206 
1 1 1    6   21    5 o  135.004   30.132   25.104   10.270   25.380   15.405   24.884   13.779  135.839   40.630  134.093   37.957 1.746063 55.60172 
1 1 1    6   21    6 o  417.490   12.903  226.807   13.953  239.387   20.628  216.197   18.945  427.827   18.614  406.709   17.983 21.11823 25.88192 
1 1 1    6   21    7 o  509.667   11.888  337.826   15.694  348.716   22.970  328.290   21.494  516.660   17.163  501.451   16.548 15.20889 23.84127 
1 1 1    6   21    8 o  263.227   16.088   90.779   10.917   95.488   16.212   86.871   14.767  268.280   23.567  256.076   22.490 12.20465 32.57663 
1 1 1    6   21    9 o  449.861   12.103  263.339   14.103  257.233   20.829  268.507   19.164  443.324   18.139  453.387   16.318 -10.06323 24.39851 
1 1 1    6   21   10 o  443.364   18.386  257.512   21.115  257.512   21.115   0.0000   0.0000  443.364   18.386  ?   ?  0.000000 18.38568 
1 1 1    6   21   11 o  547.741   12.118  390.638   17.193  363.147   24.585  416.950   24.053  526.428   18.030  564.631   16.445 -38.20282 24.40326 
1 1 1    6   21   12 o  418.865   14.883  229.193   16.148  208.100   28.026  239.674   19.756  394.144   27.626  427.537   17.839 -33.39285 32.88499 
1 1 1    6   21   13 o  291.355   20.623  112.444   15.464  110.000   23.539  114.300   20.510  283.507   32.649  291.284   27.509 -7.776428 42.69373 
1 1 1    6   21   14 o  403.073   14.777  212.549   15.429  185.151   19.283  261.300   25.721  374.152   19.968  443.484   22.464 -69.33188 30.05604 
1 1 1    6   21   15 o  294.661   15.616  114.166   11.876  133.145   17.968   99.440   15.827  315.980   22.092  272.671   22.612 43.30905 31.61252 
1 1 1    6   21   16 o  221.479   19.652   65.413   11.157   70.559   17.646   61.986   14.401  225.508   31.031  213.006   26.686 12.50224 40.92761 
1 1 1    6   21   17 o  290.988   16.116  111.824   12.100  101.288   17.884  120.717   16.431  272.903   25.599  300.267   21.263 -27.36407 33.27768 
1 1 1    6   21   18 o  208.727   27.965   60.457   14.740   0.0000   0.0000   60.457   14.740  ?   ?   208.727   27.965 0.000000 27.96506 
1 1 1    6   21   19 o  126.952   33.686   23.569   11.261   46.450   22.707   16.106   12.968  170.503   48.885  108.345   37.701 62.15749 61.73367 
1 1 1    6   21   20 o  233.247   15.901   72.342   9.5496   67.830   23.332   73.250   10.466  208.665   44.524  234.124   17.382 -25.45982 47.79709 
1 1 1    6   21   21 o  124.876   29.826   22.692   9.5151   0.0000   0.0000   22.692   9.5151  ?   ?   124.876   29.826 0.000000 29.82614 
1 1 1    6   21   22 o   76.541   36.587 -19.9900   20.442 -19.9900   20.442   0.0000   0.0000   76.541   36.587  ?   ?  0.000000 36.58698 
1 1 1    6   21   23 o  271.906   14.035   98.129   9.8514   77.460   22.566  102.996   10.950  222.857   40.586  277.974   15.266 -55.11653 43.36179 
1 1 1    6   21   24 o   95.611   28.285   13.343   7.4964   17.110   18.665   12.618   8.1856  111.383   43.920   93.432   29.907 17.95135 53.13543 
1 1 1    6   21   25 o   63.668   26.862   1.8742   7.5868   21.590   19.806  -1.5161   8.2133  117.730   45.582   59.475   26.469 58.25508 52.71016 
1 1 1    6   21   26 o  137.652   23.688   27.191   8.1416   44.180   21.413   24.319   8.8027  154.688   48.227  128.009   27.376 26.67851 55.45536 
1 1 1    6   21   27 f   89.838   27.564   12.060   7.0268   19.460   20.520   11.077   7.4790  110.951   45.246   86.709   28.647 24.24188 53.55294 
1 1 1    6   21   28 o  181.998   23.328   47.809   10.745   60.130   21.712   43.813   12.365  178.836   46.453  169.432   29.229 9.403214 54.88364 
1 1 1    6   21   29 o  135.630   27.528   28.179   9.3408   58.680   20.785   20.460   10.456  175.575   45.375  111.144   33.526 64.43066 56.41688 
1 1 1    6   21   30 o  118.714   26.341   21.671   7.8882   8.2340   20.512   24.003   8.5453   92.186   41.369  124.426   27.266 -32.24036 49.54635 
1 1 1    6   21   31 o  113.385   24.750   19.627   7.0650   15.780   17.822   20.344   7.6955   97.815   41.215  114.247   26.515 -16.43172 49.00748 
1 1 1    6   21   32 o  121.966   24.861   22.873   7.5879   25.410   16.434   22.186   8.5542  111.706   41.934  117.179   28.464 -5.473671 50.68220 
1 1 1    6   21   33 o   76.376   29.633   8.5286   8.3846   0.0000   0.0000   8.5286   8.3846  ?   ?    76.376   29.633 0.000000 29.63340 
1 1 1    6   21   34 o   46.730   22.808 -12.0264   9.0399 -26.2400   18.197  -7.3694   10.416   59.890   29.802   55.117   26.282 4.772942 39.73569 
1 1 1    6   21   35 o   87.260   28.745   13.220   7.5322   11.050   14.435   14.032   8.8295   82.458   35.946   88.194   31.082 -5.736115 47.52090 
1 1 1    6   21   36 o   63.770   27.642   3.9345   8.4366   20.830   19.100  -0.1612   9.4038   92.132   40.713   59.313   27.162 32.81848 48.94215 
1 1 1    6   21   37 o   53.029   24.714  -2.3301   8.3020   4.2720   18.461  -4.0038   9.2949   74.336   35.317   53.599   25.346 20.73723 43.47048 
1 1 1    6   21   38 o  102.724   30.952   20.742   8.9158   31.940   19.012   17.585   10.095   99.832   42.343   90.848   33.084 8.984406 53.73534 
1 1 1    6   21   39 o   42.976   21.535 -19.5748   10.260 -17.1600   18.633 -20.6254   12.290   59.428   29.666   47.268   23.670 12.15969 37.95124 
1 1 1    6   21   40 o   91.215   33.988   20.120   10.757   35.840   20.413   14.077   12.657   94.547   41.920   77.347   33.690 17.19987 53.78006 
1 1 1    6   21   41 o   49.156   23.628  -4.2916   8.7911 -17.3300   19.164  -0.8166   9.8935   56.992   28.678   54.907   26.019 2.085590 38.72190 
1 1 1    6   22    0 o  107.907   33.313   15.651   10.246   12.727   15.355   17.997   13.755  108.483   40.571  117.253   38.856 -8.769615 56.17657 
1 1 1    6   22    1 o  196.585   21.698   51.383   10.865   43.794   16.618   57.049   14.359  176.970   37.422  205.702   27.648 -28.73175 46.52763 
1 1 1    6   22    2 o  409.326   12.978  218.164   13.760  221.134   20.423  215.695   18.621  410.802   19.193  406.071   17.703 4.731476 26.11021 
1 1 1    6   22    3 o  286.288   15.829  107.330   11.693   87.721   17.629  122.733   15.624  255.932   27.000  305.272   19.866 -49.33990 33.52106 
1 1 1    6   22    4 o  439.624   12.614  251.628   14.364  257.766   21.536  246.710   19.278  443.555   18.744  434.348   17.135 9.207611 25.39581 
1 1 1    6   22    5 o  518.156   12.119  349.460   16.266  342.953   23.778  355.184   22.300  511.802   17.936  521.277   16.515 -9.474335 24.38166 
1 1 1    6   22    6 o  396.972   13.245  205.352   13.620  213.464   20.400  198.829   18.295  403.294   19.528  389.578   18.129 13.71570 26.64612 
1 1 1    6   22    7 o  642.533   11.854  537.436   19.729  547.558   28.906  528.608   26.994  646.718   17.255  635.761   16.392 10.95709 23.79978 
1 1 1    6   22    8 o  320.708   16.549  134.948   13.701  138.900   24.170  133.077   16.630  321.030   29.391  317.434   20.332 3.595459 35.73881 
1 1 1    6   22    9 o  396.833   17.511  206.471   18.000  211.800   26.649  202.000   24.409  398.245   25.976  389.619   24.307 8.625854 35.57512 
1 1 1    6   22   10 o  422.393   17.284  234.031   18.911  200.600   27.048  266.000   26.450  386.624   27.182  447.652   22.887 -61.02795 35.53409 
1 1 1    6   22   11 o  384.829   15.601  193.945   15.551  200.578   20.523  185.000   23.832  389.322   20.422  371.937   24.880 17.38538 32.18761 
1 1 1    6   22   12 o  616.587   12.041  495.936   19.230  499.714   28.174  492.640   26.313  616.407   17.645  612.573   16.583 3.833374 24.21485 
1 1 1    6   22   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   22   14 o  174.480   24.741   41.584   10.869   47.587   16.424   36.907   14.497  182.096   36.096  159.994   35.866 22.10214 50.88520 
1 1 1    6   22   15 o  454.417   12.683  270.299   14.929  275.939   21.941  265.438   20.371  456.388   18.560  448.151   17.548 8.236084 25.54223 
1 1 1    6   22   16 o  130.696   30.055   24.420   9.9623   15.612   14.414   32.475   13.785  109.278   39.573  148.687   36.143 -39.40919 53.59422 
1 1 1    6   22   17 o  143.696   29.229   29.446   10.509   17.254   16.316   38.091   13.738  113.869   41.970  161.695   33.885 -47.82624 53.94178 
1 1 1    6   22   18 o   59.626   27.471  -6.1607   9.8207 -22.1308   14.704   6.7011   13.195   60.830   29.554   89.144   36.311 -28.31440 46.81813 
1 1 1    6   22   19 o  120.971   33.765   21.739   10.983   25.230   20.595   20.351   12.984  129.263   47.227  117.025   37.688 12.23792 60.42121 
1 1 1    6   22   20 o  299.484   17.229  120.113   13.309   0.0000   0.0000  120.113   13.309  ?   ?   299.484   17.229 0.000000 17.22945 
1 1 1    6   22   21 o  324.859   13.874  139.638   11.675  170.200   27.299  132.798   12.916  343.461   31.020  315.817   15.788 27.64401 34.80650 
1 1 1    6   22   22 o  100.907   28.915   14.971   7.9466   4.0180   20.723   16.859   8.6043   96.866   42.625  106.606   29.931 -9.740433 52.08425 
1 1 1    6   22   23 o  168.979   20.467   39.508   8.7759   61.540   20.988   34.840   9.6611  193.068   43.063  156.349   24.674 36.71922 49.63029 
1 1 1    6   22   24 o   79.982   27.151   8.9065   6.7131   4.0390   19.469   9.5633   7.1517   92.804   41.053   82.509   28.024 10.29460 49.70625 
1 1 1    6   22   25 o   48.625   22.836  -6.1728   7.3161  -6.0320   19.108  -6.1970   7.9196   81.120   37.702   51.019   23.895 30.10128 44.63676 
1 1 1    6   22   26 o   88.802   29.292   11.841   7.8204  -1.7260   19.408   14.471   8.5448   84.347   38.771   96.729   30.513 -12.38197 49.33773 
1 1 1    6   22   27 o   74.414   32.113   3.4791   11.286   10.440   19.556   0.0029   13.819   95.789   41.796   74.910   33.756 20.87880 53.72524 
1 1 1    6   22   28 o   84.304   30.484   10.644   8.5487   34.950   19.541   4.8913   9.5067  130.303   46.205   72.496   30.296 57.80665 55.25193 
1 1 1    6   22   29 o  135.599   25.447   27.968   8.6096   49.180   20.580   23.468   9.4790  152.458   47.238  120.023   30.443 32.43559 56.19790 
1 1 1    6   22   30 o  171.318   20.016   42.236   8.7150   28.200   20.293   45.411   9.6502  114.006   45.528  176.320   21.580 -62.31367 50.38313 
1 1 1    6   22   31 o   56.799   24.341   1.7032   6.3989  -5.0060   18.246   2.6441   6.8329   74.422   35.286   60.132   25.438 14.29070 43.49933 
1 1 1    6   22   32 o  186.612   18.886   50.214   9.0036   0.0000   0.0000   50.214   9.0036  ?   ?   186.612   18.886 0.000000 18.88642 
1 1 1    6   22   33 o   70.523   29.365   6.2137   8.8858   2.6000   17.125   7.5452   10.395   76.598   35.631   74.966   31.526 1.632507 47.57540 
1 1 1    6   22   34 o   99.632   29.262   17.589   8.0490   35.980   18.734   13.426   8.9137  115.827   44.469   86.014   31.124 29.81275 54.27922 
1 1 1    6   22   35 o   53.797   24.822  -1.5625   8.0615 -36.8400   18.543   6.6594   8.9517   54.051   27.321   69.277   29.201 -15.22591 39.98936 
1 1 1    6   22   36 o   62.286   27.219   3.8923   8.3212 -15.7000   16.186   10.931   9.7015   58.276   28.844   77.002   31.220 -18.72551 42.50536 
1 1 1    6   22   37 f   62.305   26.823   4.7508   7.8356  -4.7370   18.600   6.7979   8.6397   66.319   32.443   67.174   28.521 -0.8545227 43.19726 
1 1 1    6   22   38 o   57.138   26.916  -1.1909   10.302   4.7590   18.606  -3.8215   12.372   70.744   34.097   58.150   27.970 12.59478 44.10155 
1 1 1    6   22   39 o   54.716   25.964  -1.9154   9.9193 -15.3200   18.444   3.5395   11.766   58.280   29.156   63.180   29.437 -4.899429 41.43227 
1 1 1    6   22   40 o   68.177   29.191   9.3482   9.1883   24.720   20.174   5.3250   10.321   79.566   37.538   62.404   28.532 17.16193 47.15045 
1 1 1    6   23    0 o  249.368   23.809   83.034   15.192   69.800   22.507   94.110   20.590  222.160   40.608  263.095   30.796 -40.93500 50.96462 
1 1 1    6   23    1 o  185.419   29.871   47.130   13.860   54.560   20.444   40.810   18.854  195.422   41.659  168.301   43.068 27.12138 59.91982 
1 1 1    6   23    2 o  233.169   25.985   73.129   15.428   68.570   23.315   76.680   20.576  219.185   42.600  235.540   34.770 -16.35478 54.98880 
1 1 1    6   23    3 o  344.995   19.383  156.982   17.251  171.500   26.088  145.700   22.997  357.029   28.445  329.456   27.190 27.57318 39.34973 
1 1 1    6   23    4 o  675.999   16.303  598.405   28.548  624.800   42.497  576.700   38.537  686.440   23.901  660.344   22.530 26.09625 32.84569 
1 1 1    6   23    5 f  531.465   16.330  370.010   22.481  369.100   32.982  370.800   30.723  527.281   24.148  529.395   22.404 -2.113464 32.94051 
1 1 1    6   23    6 o  342.158   16.616  153.489   14.727  148.694   19.224  160.300   22.911  334.450   22.319  345.866   25.757 -11.41638 34.08172 
1 1 1    6   23    7 o  445.585   23.649  264.500   27.198   0.0000   0.0000  264.500   27.198  ?   ?   445.585   23.649 0.000000 23.64922 
1 1 1    6   23    8 o  660.295   11.820  568.525   20.216  577.528   29.553  560.608   27.714  662.991   17.208  653.651   16.369 9.340088 23.74983 
1 1 1    6   23    9 o  299.891   15.688  118.274   12.144  112.783   18.093  122.776   16.383  289.754   24.332  303.780   20.948 -14.02652 32.10741 
1 1 1    6   23   10 o  302.746   15.685  120.634   12.258  127.217   18.344  115.323   16.476  308.073   23.157  293.808   21.805 14.26471 31.80732 
1 1 1    6   23   11 o  390.095   13.403  199.211   13.543  183.803   20.463  211.221   18.066  371.101   21.378  400.211   17.427 -29.11029 27.58076 
1 1 1    6   23   12 o  341.204   14.682  152.899   12.976  155.700   19.327  150.600   17.511  340.743   22.014  335.995   20.213 4.747498 29.88678 
1 1 1    6   23   13 o  364.596   13.707  174.463   12.945  171.467   18.529  177.319   18.092  358.265   20.047  364.793   19.214 -6.527771 27.76813 
1 1 1    6   23   14 o  259.989   17.738   90.060   11.875   75.653   17.037  103.671   16.559  232.872   28.863  276.287   23.357 -43.41422 37.13010 
1 1 1    6   23   15 o  305.252   15.887  123.562   12.519  126.240   18.459  121.282   17.034  304.344   23.600  299.165   22.139 5.178741 32.35899 
1 1 1    6   23   16 o  125.670   32.587   23.247   10.697   18.269   15.751   27.508   14.573  114.284   41.371  134.313   39.352 -20.02899 57.09770 
1 1 1    6   23   17 f   58.103   26.827  -6.0752   9.4397 -20.9837   14.522   4.8338   12.422   60.792   29.498   83.633   34.764 -22.84090 45.59230 
1 1 1    6   23   18 o  167.977   38.783   43.659   16.534   39.830   23.304   47.540   23.461  152.764   50.574  166.617   50.209 -13.85327 71.26472 
1 1 1    6   23   19 o  121.299   36.201   22.555   12.240   32.610   14.875   1.4810   21.536  143.952   38.948   96.199   42.833 47.75235 57.89368 
1 1 1    6   23   20 o  112.791   33.650   19.300   10.577   44.660   22.676   12.249   11.957  159.089   49.633   95.862   35.811 63.22697 61.20392 
1 1 1    6   23   21 o  264.038   14.928   93.239   10.168  121.500   22.933   86.324   11.344  287.039   31.354  252.572   17.447 34.46655 35.88116 
1 1 1    6   23   22 o  279.023   14.098  103.980   10.156  125.300   26.010  100.145   11.032  284.265   36.141  272.844   15.676 11.42090 39.39437 
1 1 1    6   23   23 o  168.141   21.424   39.767   9.1187   19.960   23.136   43.409   9.9219  114.163   47.448  175.154   22.380 -60.99042 52.46124 
1 1 1    6   23   24 o  151.275   20.451   32.250   7.8081   50.680   20.602   29.159   8.4376  165.099   46.301  141.758   23.823 23.34103 52.07028 
1 1 1    6   23   25 o  143.416   23.014   29.871   8.2604   26.970   17.411   30.714   9.3837  120.647   43.523  143.227   26.261 -22.57950 50.83193 
1 1 1    6   23   26 o   94.418   34.613   14.193   11.076   4.6890   18.426   19.570   13.860   87.045   39.124  106.083   38.745 -19.03835 55.06216 
1 1 1    6   23   27 o   73.902   27.372   7.5905   6.9560   26.790   18.303   4.3494   7.5202  115.588   44.055   66.615   27.304 48.97263 51.83049 
1 1 1    6   23   28 o   89.060   29.433   12.748   7.8947  -8.5250   18.473   17.501   8.7323   73.257   34.951  102.744   30.558 -29.48699 46.42604 
1 1 1    6   23   29 o  102.783   28.234   17.197   7.7477   19.420   18.011   16.692   8.5823  100.702   41.859   99.737   30.438 0.9650955 51.75583 
1 1 1    6   23   30 o  134.839   21.165   26.954   7.1489   20.080   15.176   28.915   8.1044  100.743   39.641  137.753   23.559 -37.01021 46.11353 
1 1 1    6   23   31 o   94.139   27.312   14.692   7.0503   6.1060   19.454   15.991   7.5646   82.833   38.339   97.486   28.293 -14.65305 47.64828 
1 1 1    6   23   32 o   90.512   33.390   15.302   10.330   0.0000   0.0000   15.302   10.330  ?   ?    90.512   33.390 0.000000 33.38992 
1 1 1    6   23   33 o   78.736   28.916   10.699   7.7353   27.400   19.242   7.4801   8.4479  100.673   42.644   71.082   29.015 29.59021 51.57866 
1 1 1    6   23   34 o   90.308   29.424   15.169   7.9000   6.2470   18.200   17.241   8.7692   75.988   35.790   94.537   31.010 -18.54899 47.35516 
1 1 1    6   23   35 o   49.235   23.344  -4.2682   7.9852   16.260   17.415  -9.7332   8.9854   82.950   37.588   46.659   22.766 36.29033 43.94500 
1 1 1    6   23   36 o   77.833   29.831   11.918   8.4210   20.370   19.050   9.8656   9.3881   84.144   38.579   72.921   30.259 11.22364 49.03001 
1 1 1    6   23   37 o   74.059   31.027   11.156   10.007   16.390   18.312   8.9284   11.949   78.601   36.657   70.676   31.655 7.924492 48.43306 
1 1 1    6   23   38 o   55.882   26.338  -0.4211   9.8870   15.200   18.959  -6.2560   11.587   75.110   35.716   53.464   26.035 21.64657 44.19735 
1 1 1    6   23   39 o   75.440   29.961   13.017   8.7439   0.2737   19.609   16.180   9.7688   63.880   31.641   80.660   31.784 -16.77937 44.84834 
1 1 1    6   23   40 o   59.824   27.878   4.9517   10.559  -8.5370   19.098   10.891   12.673   57.574   28.924   66.977   30.980 -9.402538 42.38366 
1 1 1    6   24    0 o  265.111   16.980   92.729   11.599   96.744   17.096   89.305   15.789  268.049   24.908  257.842   23.913 10.20667 34.52841 
1 1 1    6   24    1 o  367.292   13.824  176.434   13.152  173.963   18.698  178.853   18.503  362.276   20.002  367.551   19.505 -5.275543 27.93793 
1 1 1    6   24    2 o  421.578   13.035  232.215   14.235  216.805   20.391  246.865   19.881  405.193   19.428  433.070   17.723 -27.87729 26.29697 
1 1 1    6   24    3 o  219.601   19.971   64.264   11.236   58.305   16.599   69.304   15.265  204.477   32.420  225.753   26.615 -21.27542 41.94566 
1 1 1    6   24    4 o  389.655   13.373  198.550   13.498  181.049   19.901  213.461   18.369  368.989   20.907  402.603   17.614 -33.61441 27.33828 
1 1 1    6   24    5 o  547.478   12.126  391.395   17.196  407.543   25.566  378.053   23.238  556.070   17.750  536.090   16.734 19.97943 24.39445 
1 1 1    6   24    6 o  696.569   12.138  633.804   21.902  606.320   31.094  660.867   30.855  678.059   17.703  708.526   16.812 -30.46625 24.41407 
1 1 1    6   24    7 o  342.798   15.059  154.305   13.371  137.995   19.714  168.202   18.197  320.044   23.954  355.607   19.834 -35.56284 31.09955 
1 1 1    6   24    8 o  193.426   22.170   50.578   10.907   42.781   17.277   55.746   14.065  170.240   39.878  200.915   27.768 -30.67476 48.59334 
1 1 1    6   24    9 o  250.566   17.777   83.469   11.463   92.807   17.915   76.997   14.916  260.068   26.987  237.830   24.566 22.23828 36.49365 
1 1 1    6   24   10 o  314.540   15.054  130.272   12.265  135.039   17.878  126.034   16.858  316.671   21.930  306.167   21.392 10.50400 30.63564 
1 1 1    6   24   11 o  400.601   13.374  210.774   13.878  204.609   20.092  216.400   19.192  390.956   19.906  403.438   18.365 -12.48178 27.08358 
1 1 1    6   24   12 o  280.478   17.003  104.736   12.295  102.026   18.330  106.952   16.576  271.721   26.376  280.313   23.033 -8.592468 35.01710 
1 1 1    6   24   13 o  306.566   16.062  124.898   12.710  142.726   19.019  110.510   17.086  323.674   22.830  284.272   23.412 39.40176 32.70077 
1 1 1    6   24   14 o  263.284   17.987   93.006   12.193   89.229   17.674   96.436   16.844  252.153   27.505  264.006   24.925 -11.85329 37.11895 
1 1 1    6   24   15 f   81.369   33.562   4.9799   11.452   16.250   19.564  -0.8940   14.124  112.965   44.831   78.948   34.943 34.01699 56.84065 
1 1 1    6   24   16 o  103.674   40.882   13.246   16.173   23.040   22.727   3.1960   23.021  124.641   48.668  100.576   44.559 24.06496 65.98533 
1 1 1    6   24   17 o   69.632   30.962  -1.5216   11.213   5.1856   15.007 -10.0000   16.872   88.523   37.588   75.236   35.121 13.28734 51.44196 
1 1 1    6   24   18 o  223.349   19.604   68.194   11.227   59.050   17.261   74.899   14.781  196.935   35.125  230.355   25.181 -33.41969 43.21853 
1 1 1    6   24   19 o  166.732   25.323   39.778   10.593   18.736   16.365   54.949   13.896  111.357   41.837  194.165   28.476 -82.80828 50.60901 
1 1 1    6   24   20 o  186.014   21.973   48.504   10.383   46.223   15.528   50.348   13.964  171.121   36.163  183.557   30.435 -12.43654 47.26603 
1 1 1    6   24   21 o  124.118   23.343   22.223   7.2295   21.820   22.265   22.270   7.6437  116.129   47.219  123.511   24.754 -7.381905 53.31429 
1 1 1    6   24   22 o   91.758   29.223   12.726   7.8232   79.720   22.034   3.0621   8.3684  217.621   40.581   67.486   28.328 150.1350 49.49026 
1 1 1    6   24   23 o  152.149   22.661   33.427   8.6586   23.210   21.273   35.456   9.4793  113.745   46.192  155.616   24.312 -41.87090 52.19886 
1 1 1    6   24   24 o   85.265   32.229   10.550   9.7444   2.0010   21.395   12.787   10.946   88.346   40.645   91.269   34.230 -2.923729 53.13862 
1 1 1    6   24   25 o   79.057   30.632   8.5888   8.9496  -0.9827   20.880   10.743   9.9057   83.806   39.104   85.031   32.410 -1.225304 50.78878 
1 1 1    6   24   26 o   84.440   28.438   11.188   7.3638   14.210   19.629   10.693   7.9440   95.996   41.881   83.043   29.459 12.95255 51.20383 
1 1 1    6   24   27 o  161.873   20.241   38.013   8.3015   17.320   20.276   42.180   9.0992   98.246   42.719  169.799   21.146 -71.55307 47.66579 
1 1 1    6   24   28 o  142.660   22.045   30.389   7.8836   40.590   20.082   28.531   8.5717  130.417   46.777  135.337   25.383 -4.920334 53.22059 
1 1 1    6   24   29 o  120.237   24.577   22.637   7.3962   22.630   19.601   22.638   7.9866  101.124   42.948  118.387   26.683 -17.26221 50.56223 
1 1 1    6   24   30 o  107.255   28.820   19.677   8.1782   0.0000   0.0000   19.677   8.1782  ?   ?   107.255   28.820 0.000000 28.82029 
1 1 1    6   24   31 o   52.354   24.378  -3.0652   8.0475   0.0000   0.0000  -3.0652   8.0475  ?   ?    52.354   24.378 0.000000 24.37754 
1 1 1    6   24   32 o   63.600   26.966   4.6605   7.7060   11.790   17.586   2.9661   8.5729   81.719   37.317   62.012   27.346 19.70775 46.26409 
1 1 1    6   24   33 o   92.651   28.893   16.003   7.6854   23.250   17.772   14.337   8.5236   91.850   39.966   85.935   30.512 5.914833 50.28164 
1 1 1    6   24   34 o   48.278   23.020  -4.8324   7.9893 -14.3100   18.942  -2.7816   8.8114   61.534   30.585   52.808   24.882 8.725578 39.42780 
1 1 1    6   24   35 o   49.310   23.324  -3.2303   7.8809   7.4110   19.200  -5.3865   8.6425   72.432   34.841   48.933   23.496 23.49854 42.02329 
1 1 1    6   24   36 o   67.442   28.811   8.0391   8.9141  -1.8930   16.374   12.223   10.627   63.130   30.787   74.850   31.697 -11.71955 44.18787 
1 1 1    6   24   37 o   48.830   23.813  -7.1681   9.7956   7.0010   19.322 -12.0693   11.364   68.578   33.444   48.579   24.067 19.99942 41.20319 
1 1 1    6   24   38 o   56.064   25.725   2.7452   8.4938 -32.8000   19.674   10.888   9.4166   51.418   26.206   69.640   29.677 -18.22211 39.59135 
1 1 1    6   24   39 o   58.996   26.619   5.6581   8.6264   13.420   18.282   3.4349   9.7842   67.186   32.713   56.918   26.627 10.26728 42.18019 
1 1 1    6   25    0 o  401.333   14.058  211.425   14.615  213.228   21.403  209.849   20.005  399.424   20.758  397.432   19.432 1.992249 28.43406 
1 1 1    6   25    1 o  248.172   19.012   82.187   12.129   63.679   17.698   98.575   16.654  211.813   33.361  269.612   24.101 -57.79817 41.15615 
1 1 1    6   25    2 o  258.265   18.222   88.787   12.112   91.687   17.696   86.230   16.613  258.511   26.817  251.091   25.916 7.420197 37.29311 
1 1 1    6   25    3 o  391.744   13.767  201.426   13.969  194.456   19.820  208.306   19.692  381.560   20.125  395.906   19.202 -14.34604 27.81596 
1 1 1    6   25    4 o  348.921   14.767  160.179   13.347  125.265   18.739  196.125   19.014  303.870   24.003  384.075   19.112 -80.20554 30.68264 
1 1 1    6   25    5 o  200.575   22.439   54.660   11.459   53.881   16.957   55.314   15.544  192.903   35.235  197.569   31.426 -4.666107 47.21368 
1 1 1    6   25    6 o  293.927   16.386  114.571   12.426  124.244   18.745  106.987   16.597  302.078   24.158  280.832   23.018 21.24585 33.36855 
1 1 1    6   25    7 o  363.477   14.218  173.938   13.386  172.800   20.350  174.805   17.772  357.612   22.076  361.603   19.041 -3.991547 29.15379 
1 1 1    6   25    8 o  333.797   15.019  147.093   12.986  149.213   19.642  145.447   17.308  331.294   23.031  328.727   20.427 2.567108 30.78521 
1 1 1    6   25    9 o  216.734   19.828   63.465   11.008   50.907   16.143   74.381   15.051  186.175   34.753  231.785   25.489 -45.60942 43.09790 
1 1 1    6   25   10 o  102.058   33.165   14.851   10.039   20.326   15.111   10.526   13.432  117.741   40.713   96.168   37.453 21.57290 55.31941 
1 1 1    6   25   11 o  326.349   15.107  141.125   12.771  132.691   18.655  148.562   17.519  310.896   23.336  331.141   20.526 -20.24506 31.07818 
1 1 1    6   25   12 o  293.114   18.370  115.709   13.877  130.300   26.714  110.316   16.240  296.494   35.489  283.641   22.283 12.85333 41.90459 
1 1 1    6   25   13 o  282.763   23.513  110.666   17.066  108.900   23.072  112.800   25.359  271.914   33.463  273.578   36.712 -1.664063 49.67421 
1 1 1    6   25   14 o  117.847   41.349   21.415   15.614   52.570   23.391  -3.6250   20.970  173.505   49.574   89.732   40.888 83.77322 64.26084 
1 1 1    6   25   15 o  119.942   37.353   22.496   12.849   38.901   16.599  -2.0360   20.298  154.846   40.808   89.495   40.565 65.35111 57.53997 
1 1 1    6   25   16 o  104.095   32.998   16.340   9.9838   33.296   14.571   1.3335   13.707  144.030   38.367   79.478   34.827 64.55239 51.81664 
1 1 1    6   25   17 o  147.580   27.974   32.071   10.302   17.022   16.235   42.217   13.330  107.580   41.376  166.960   31.987 -59.37982 52.29849 
1 1 1    6   25   18 o  150.074   26.247   32.879   9.8315   29.899   14.973   35.137   13.035  133.551   40.081  149.523   34.374 -15.97191 52.80265 
1 1 1    6   25   19 o  140.895   28.430   29.833   10.018   15.031   15.470   40.521   13.146  101.673   40.019  161.557   32.540 -59.88445 51.57834 
1 1 1    6   25   20 o   71.854   29.844   4.3056   9.1451   4.0918   13.607   4.4817   12.350   80.888   35.083   79.065   33.847 1.822708 48.74873 
1 1 1    6   25   21 o  135.788   31.044   29.129   10.681   67.510   21.256   16.163   12.355  193.697   43.437  100.215   36.584 93.48147 56.79056 
1 1 1    6   25   22 o  151.304   26.857   34.764   10.140   23.330   22.052   37.830   11.419  111.486   46.328  155.793   29.374 -44.30711 54.85563 
1 1 1    6   25   23 f  129.939   37.395   30.193   13.265   22.620   22.389   34.290   16.466  108.380   45.959  132.568   42.416 -24.18766 62.54035 
1 1 1    6   25   24 o   72.224   27.883   6.9415   7.3950   31.870   20.145   3.0593   7.9500  120.076   46.111   64.427   27.357 55.64896 53.61585 
1 1 1    6   25   25 o   70.826   27.901   6.5145   7.5263   22.830   18.588   3.3153   8.2312  105.310   43.019   65.155   27.756 40.15500 51.19571 
1 1 1    6   25   26 o   64.577   25.668   5.0149   6.4227  -3.0950   16.704   6.4219   6.9576   72.950   34.337   69.251   26.959 3.698769 43.65577 
1 1 1    6   25   27 o  135.742   22.506   27.937   7.6361   40.070   18.088   25.306   8.4235  131.774   44.569  125.333   26.760 6.441322 51.98566 
1 1 1    6   25   28 o   74.782   28.222   8.6985   7.4642  -8.2150   17.229   12.607   8.2818   68.060   32.805   85.572   30.108 -17.51171 44.52747 
1 1 1    6   25   29 o   62.058   26.899   3.0606   7.9894   0.0000   0.0000   3.0606   7.9894  ?   ?    62.058   26.899 0.000000 26.89925 
1 1 1    6   25   30 o   57.998   25.534   1.9107   7.4442 -24.0800   18.037   7.2468   8.1727   58.546   29.219   70.079   28.564 -11.53265 40.86166 
1 1 1    6   25   31 o   88.547   29.123   14.576   7.7323   7.0080   18.042   16.279   8.5580   76.104   35.779   91.886   30.658 -15.78194 47.11781 
1 1 1    6   25   32 f   66.801   27.278   6.9900   7.4707   18.600   19.199   4.9183   8.1099   84.134   38.632   63.163   27.240 20.97110 47.26941 
1 1 1    6   25   33 o   73.845   29.207   10.419   8.2776   16.310   19.798   9.1708   9.1124   79.508   37.411   71.061   29.676 8.447044 47.75193 
1 1 1    6   25   34 o  106.521   30.455   23.194   8.8250   6.7160   18.898   27.789   9.9800   70.545   34.091  114.295   32.286 -43.75047 46.95275 
1 1 1    6   25   35 o   87.918   32.085   18.152   9.5017   24.990   18.186   15.584   11.144   83.461   38.049   79.191   32.922 4.270393 50.31488 
1 1 1    6   25   36 f   81.978   32.195   16.968   9.9923   6.9460   20.216   20.208   11.495   67.504   33.186   85.160   34.174 -17.65533 47.63573 
1 1 1    6   25   37 o   68.586   28.342   10.382   8.1873  -8.5500   19.621   14.373   9.0091   58.388   29.331   76.160   30.360 -17.77170 42.21413 
1 1 1    6   25   38 o   47.390   22.583  -1.6429   7.6647  -1.6030   19.029  -1.6506   8.3740   58.773   29.434   48.754   23.335 10.01931 37.56123 
1 1 1    6   26    0 o  334.535   15.366  148.079   13.315  128.337   18.635  168.671   19.032  306.250   23.675  353.343   20.887 -47.09323 31.57122 
1 1 1    6   26    1 o  279.288   17.398  104.201   12.524  119.312   18.501   91.421   17.014  294.669   24.460  256.796   25.934 37.87280 35.64907 
1 1 1    6   26    2 o  317.764   15.493  133.697   12.752  154.040   19.558  118.651   16.820  336.335   22.580  295.291   22.151 41.04382 31.63104 
1 1 1    6   26    3 o  237.931   19.292   76.342   11.788   42.667   17.253  105.821   16.143  166.234   40.452  278.422   22.577 -112.1885 46.32593 
1 1 1    6   26    4 o  128.640   32.405   24.449   10.793   4.1719   15.817   42.116   14.764   90.151   38.441  168.254   35.015 -78.10248 51.99738 
1 1 1    6   26    5 o   87.662   32.927   9.2249   10.136 -30.4759   16.025   35.696   13.085   59.063   29.134  155.201   33.529 -96.13713 44.41845 
1 1 1    6   26    6 o  312.192   15.847  129.791   12.773  127.578   19.551  131.438   16.871  303.350   25.107  310.938   21.071 -7.588745 32.77720 
1 1 1    6   26    7 o  236.953   22.223   77.094   13.480  128.700   27.989   61.507   15.382  292.419   37.839  207.048   29.516 85.37102 47.98952 
1 1 1    6   26    8 o  201.014   23.945   56.269   12.223   71.090   23.068   50.484   14.412  210.832   43.676  186.060   30.993 24.77219 53.55570 
1 1 1    6   26    9 o  166.408   37.872   42.993   15.958   49.040   23.465   37.790   21.766  167.659   50.144  148.508   48.862 19.15080 70.01394 
1 1 1    6   26   10 o  307.618   21.646  130.008   17.138  137.300   27.018  125.100   22.168  302.728   35.107  294.761   29.428 7.967682 45.80930 
1 1 1    6   26   11 o  179.298   30.333   47.280   13.585   44.304   16.994   52.550   22.614  166.339   39.944  173.577   48.449 -7.237549 62.79197 
1 1 1    6   26   12 o  210.721   19.589   60.840   10.570   65.828   15.481   56.485   14.467  212.844   28.820  196.624   29.300 16.21971 41.09830 
1 1 1    6   26   13 f  221.904   32.014   73.577   17.869   73.577   17.869   0.0000   0.0000  221.904   32.014  ?   ?  0.000000 32.01382 
1 1 1    6   26   14 o  144.868   28.329   31.061   10.250   7.0827   16.824   45.213   12.925   92.595   39.568  174.516   29.654 -81.92052 49.44699 
1 1 1    6   26   15 o  107.965   32.014   18.003   9.5951   6.8491   15.250   25.312   12.345   89.190   37.881  125.424   36.069 -36.23386 52.30663 
1 1 1    6   26   16 o  173.960   24.668   43.642   10.804   63.765   16.981   29.954   14.004  202.860   33.484  134.044   38.379 68.81526 50.93235 
1 1 1    6   26   17 o  130.357   28.284   25.752   9.2760   30.444   13.748   21.831   12.568  134.646   37.845  114.851   37.089 19.79466 52.98839 
1 1 1    6   26   18 o  146.268   27.839   32.360   10.162   7.8604   16.060   48.719   13.124   89.565   38.477  178.832   29.349 -89.26732 48.39271 
1 1 1    6   26   19 o  184.219   20.281   48.014   9.5173   32.731   13.926   61.409   13.037  137.376   37.900  204.132   25.190 -66.75603 45.50783 
1 1 1    6   26   20 o  165.083   27.396   41.647   11.304   53.990   22.010   37.225   13.175  160.531   48.690  148.916   34.783 11.61554 59.83767 
1 1 1    6   26   21 o  241.470   23.270   85.683   14.375   65.590   22.692   99.150   18.578  177.239   48.169  252.009   28.987 -74.77020 56.21816 
1 1 1    6   26   22 o   48.975   22.541  -3.0138   6.5896   5.3600   17.794  -4.3447   7.0939   84.131   38.071   48.955   22.826 35.17603 44.38928 
1 1 1    6   26   23 o  146.870   23.029   32.421   8.4730   36.360   21.125   31.666   9.2495  122.702   47.196  142.504   26.017 -19.80205 53.89164 
1 1 1    6   26   24 o   50.258   23.342  -3.5953   7.3039   32.350   19.327  -9.5845   7.8890  116.731   45.074   45.292   21.921 71.43844 50.12192 
1 1 1    6   26   25 o   95.187   28.413   15.259   7.5391   36.030   19.651   11.674   8.1638  120.109   45.680   83.632   29.843 36.47645 54.56395 
1 1 1    6   26   26 o   74.300   28.137   8.5571   7.4358   19.980   19.137   6.5259   8.0698   95.735   41.564   69.935   28.431 25.80013 50.35738 
1 1 1    6   26   27 o   73.941   28.214   8.6608   7.5119   0.0728   19.125   10.227   8.1684   75.209   35.794   78.234   29.523 -3.025284 46.39835 
1 1 1    6   26   28 o   49.438   23.568  -6.0113   8.3647   0.0000   0.0000  -6.0113   8.3647  ?   ?    49.438   23.568 0.000000 23.56814 
1 1 1    6   26   29 o   56.758   25.365   1.2833   7.6267 -14.8100   18.199   4.7116   8.3999   62.313   30.795   64.386   27.745 -2.073444 41.45036 
1 1 1    6   26   30 o   66.541   27.221   6.7903   7.4559   5.8190   18.624   6.9757   8.1363   73.889   35.209   67.523   28.107 6.365814 45.05148 
1 1 1    6   26   31 o   99.669   29.626   19.482   8.2097   22.990   19.467   18.723   9.0543   85.923   39.246   94.468   31.535 -8.544548 50.34620 
1 1 1    6   26   32 o   46.984   22.500  -4.8062   7.8101 -14.0900   18.145  -2.6949   8.6528   58.883   29.374   51.495   24.382 7.388233 38.17488 
1 1 1    6   26   33 o   51.782   24.219  -0.8732   8.0872   8.1080   16.068  -3.9201   9.3590   69.164   32.886   51.101   24.514 18.06309 41.01718 
1 1 1    6   26   34 o   55.609   26.318  -0.0485   10.059   12.160   19.176  -4.6836   11.815   70.792   34.241   54.118   26.339 16.67363 43.19976 
1 1 1    6   26   35 o   53.713   25.553  -0.5130   9.7283 -22.1300   19.742   6.4197   11.180   54.335   27.545   62.845   29.079 -8.510509 40.05440 
1 1 1    6   26   36 o   75.162   29.729   14.105   8.5770   4.2250   19.228   16.559   9.5833   62.413   30.987   78.268   31.276 -15.85488 44.02659 
1 1 1    6   26   37 o   43.951   21.380  -4.6693   7.7584 -24.7200   18.982  -0.6480   8.5009   50.164   25.582   49.463   23.630 0.7009773 34.82537 
1 1 1    6   27    0 o  151.385   43.631   37.828   18.046   37.828   18.046   0.0000   0.0000  151.385   43.631  ?   ?  0.000000 43.63082 
1 1 1    6   27    1 o   99.927   37.854   13.289   13.461   14.650   17.218   11.150   21.588  106.467   42.119  106.574   45.158 -0.1067810 61.75130 
1 1 1    6   27    2 o   63.046   29.936 -12.5947   13.227 -17.1733   16.427  -4.1510   22.307   68.097   32.616   91.568   41.896 -23.47173 53.09541 
1 1 1    6   27    3 f  294.014   20.597  118.266   15.587  112.576   19.659  127.900   25.580  281.250   27.329  292.568   34.411 -11.31879 43.94345 
1 1 1    6   27    4 o  159.917   34.034   38.893   13.665   43.191   17.294   31.750   22.296  163.491   40.931  136.187   49.233 27.30402 64.02486 
1 1 1    6   27    5 o  425.867   16.210  242.755   17.882  255.789   22.632  221.100   29.172  433.327   20.163  392.069   28.929 41.25806 35.26247 
1 1 1    6   27    6 f  213.793   26.501   65.303   14.361   61.600   18.461   70.980   22.856  199.104   37.161  207.366   43.918 -8.262329 57.53014 
1 1 1    6   27    7 o  331.206   15.559  146.683   13.348  156.382   20.339  139.344   17.691  334.552   23.622  317.600   21.634 16.95203 32.03107 
1 1 1    6   27    8 o  209.139   20.590   60.422   11.010   57.653   15.934   62.953   15.231  195.620   32.592  207.351   29.163 -11.73012 43.73456 
1 1 1    6   27    9 o  185.312   36.379   53.810   16.839   53.810   16.839   0.0000   0.0000  185.312   36.379  ?   ?  0.000000 36.37924 
1 1 1    6   27   10 o  138.067   30.216   28.794   10.506   23.933   15.970   32.503   13.950  120.338   41.840  141.799   37.430 -21.46176 56.13934 
1 1 1    6   27   11 o  181.828   22.073   46.514   10.183   51.089   15.691   43.185   13.385  180.894   34.750  168.275   31.874 12.61908 47.15421 
1 1 1    6   27   12 o   84.856   32.350   9.3608   9.8708   12.952   16.033   7.1689   12.526   99.070   40.147   84.738   35.040 14.33202 53.28756 
1 1 1    6   27   13 o  175.757   23.767   44.338   10.543   30.691   16.491   53.771   13.710  131.963   42.471  189.727   28.803 -57.76410 51.31646 
1 1 1    6   27   14 o   71.005   29.504   4.1015   8.9432   1.1002   15.001   5.7562   11.139   79.694   35.597   78.903   32.869 0.7911453 48.45114 
1 1 1    6   27   15 o  114.003   32.094   20.814   9.8790   20.375   15.124   21.140   13.047  109.524   40.402  111.836   37.852 -2.311119 55.36290 
1 1 1    6   27   16 o   89.165   31.882   12.048   9.3221   0.2970   13.780   21.964   12.658   75.154   33.802  113.132   37.264 -37.97794 50.31056 
1 1 1    6   27   17 o  172.355   22.129   42.965   9.6514   32.859   15.100   49.945   12.549  133.974   40.261  181.035   27.637 -47.06181 48.83396 
1 1 1    6   27   18 o  156.327   28.617   38.208   11.161   19.010   21.738   45.081   13.007  104.056   44.735  167.556   31.113 -63.50010 54.49040 
1 1 1    6   27   19 o  126.966   35.688   28.608   12.225   39.530   19.979   22.070   15.457  133.676   46.780  107.397   40.592 26.27959 61.93609 
1 1 1    6   27   20 o   60.555   26.565   1.1559   7.9949  -1.6745   11.011   4.3117   11.627   64.177   29.390   73.708   32.193 -9.530830 43.59069 
1 1 1    6   27   21 o  122.748   29.414   24.993   9.2300   22.329   13.846   27.123   12.383  106.275   38.739  119.985   36.549 -13.71053 53.25928 
1 1 1    6   27   22 o   75.680   31.164   7.7884   9.8536 -24.9500   20.106   18.137   11.304   64.128   31.812   98.448   35.118 -34.32027 47.38462 
1 1 1    6   27   23 o   70.037   28.312   6.5286   7.9526   5.1340   18.179   6.8587   8.8436   80.288   37.126   71.956   29.565 8.332047 47.45982 
1 1 1    6   27   24 o   57.734   25.324   1.5252   7.2633  -2.3480   17.657   2.3141   7.9687   72.446   34.454   60.965   26.639 11.48082 43.55106 
1 1 1    6   27   25 o   60.377   26.027   2.9449   7.3977  -0.3795   17.855   3.6338   8.1281   73.197   34.763   63.259   27.276 9.937656 44.18634 
1 1 1    6   27   26 f   51.456   23.851  -2.3724   7.5693  -5.6120   18.957  -1.7579   8.2560   69.620   33.763   54.295   25.076 15.32489 42.05638 
1 1 1    6   27   27 o   66.744   29.531   4.6838   10.079   0.0000   0.0000   4.6838   10.079  ?   ?    66.744   29.531 0.000000 29.53085 
1 1 1    6   27   28 o   58.405   25.539   2.9586   7.3368 -36.8600   18.199   10.686   8.0171   52.324   26.518   76.224   29.132 -23.89997 39.39386 
1 1 1    6   27   29 o  108.475   28.887   22.286   8.2616   12.650   18.519   24.680   9.2311   77.199   36.279  111.418   30.903 -34.21980 47.65714 
1 1 1    6   27   30 f   74.173   28.526   10.806   7.7170   15.570   17.664   9.6823   8.5789   77.503   36.097   71.124   29.159 6.378983 46.40304 
1 1 1    6   27   31 o   75.479   28.487   11.723   7.6058   12.940   17.393   11.436   8.4573   73.205   34.634   73.781   29.414 -0.5756454 45.43879 
1 1 1    6   27   32 o  122.592   28.637   29.766   8.9294   40.330   19.366   26.914   10.063   95.120   41.546  107.181   33.002 -12.06157 53.05898 
1 1 1    6   27   33 o   74.387   33.310   16.069   13.223   9.6530   19.680   21.350   17.853   67.511   33.099   75.968   35.675 -8.456856 48.66483 
1 1 1    6   27   34 o   53.537   24.774   2.0388   8.1155 -15.3100   19.352   5.7409   8.9395   55.142   27.877   59.655   26.991 -4.512913 38.80219 
1 1 1    6   27   35 o   76.769   29.567   15.121   8.2989   25.110   18.949   12.750   9.2314   72.492   34.803   69.683   29.528 2.809425 45.64171 
1 1 1    6   27   36 o   51.736   23.878   2.9375   7.4676  -1.0200   19.722   3.5999   8.0683   56.838   28.662   53.278   24.670 3.559689 37.81705 
1 1 1    6   28    0 o   76.618   33.489   1.6419   12.603 -19.2003   16.911   27.680   18.902   66.729   32.247  126.440   45.378 -59.71078 55.66895 
1 1 1    6   28    1 o  235.729   23.387   78.438   14.092   66.993   18.177   95.680   22.310  207.694   35.033  247.904   35.779 -40.21043 50.07409 
1 1 1    6   28    2 o  168.770   26.554   41.462   11.225   43.887   15.727   38.945   16.026  164.997   37.632  153.061   39.983 11.93631 54.90701 
1 1 1    6   28    3 o  141.739   30.566   30.517   10.892   28.973   16.897   31.615   14.247  129.714   43.069  138.677   38.366 -8.963150 57.67953 
1 1 1    6   28    4 o  116.954   33.777   21.553   10.805   29.067   16.737   16.184   14.148  129.812   42.854  103.768   38.917 26.04412 57.88778 
1 1 1    6   28    5 o  176.266   23.969   44.424   10.660   47.895   15.945   41.619   14.335  172.890   36.737  162.190   35.137 10.70081 50.83513 
1 1 1    6   28    6 o  203.165   22.017   58.104   11.401   86.499   17.854   38.550   14.816  241.528   29.125  153.567   37.557 87.96062 47.52662 
1 1 1    6   28    7 o  165.250   27.024   40.239   11.167   31.478   17.315   46.479   14.613  133.168   43.569  172.123   33.982 -38.95473 55.25433 
1 1 1    6   28    8 o  306.243   15.205  126.201   12.061  122.177   17.667  129.714   16.506  293.150   23.463  304.733   21.040 -11.58276 31.51541 
1 1 1    6   28    9 o  205.844   21.293   59.679   11.189   57.962   17.254   60.925   14.699  189.198   36.529  201.472   29.001 -12.27374 46.64206 
1 1 1    6   28   10 o  103.946   33.473   17.234   10.242 -17.0374   15.171   45.940   13.884   62.902   30.433  171.164   32.504 -108.2613 44.52684 
1 1 1    6   28   11 o  220.546   19.452   67.892   10.999   67.396   17.136   68.239   14.343  206.656   33.131  214.971   26.307 -8.314941 42.30460 
1 1 1    6   28   12 o  131.941   30.694   27.496   10.293   52.060   16.940   13.121   12.959  174.774   38.462   94.019   36.739 80.75521 53.18956 
1 1 1    6   28   13 o  160.714   22.137   37.314   8.9710   46.332   13.880   30.844   11.757  169.765   32.750  137.033   33.421 32.73239 46.79234 
1 1 1    6   28   14 o  118.350   30.596   22.612   9.4486   18.865   16.225   24.535   11.623  103.968   40.963  119.588   35.175 -15.62014 53.99308 
1 1 1    6   28   15 o  181.148   25.901   49.659   11.808   42.110   23.499   52.209   13.657  134.043   50.178  181.459   30.110 -47.41583 58.51876 
1 1 1    6   28   16 o   94.191   37.261   14.836   13.475   27.070   22.676   8.1580   16.753  111.579   46.724   86.568   38.199 25.01158 60.35120 
1 1 1    6   28   17 o  103.845   33.087   18.817   10.028   33.567   13.216  -1.1970   15.395  135.578   36.723   73.521   34.056 62.05688 50.08397 
1 1 1    6   28   18 o   73.384   29.816   6.9484   8.8688   6.7861   14.141   7.0536   11.386   80.009   35.209   77.013   32.722 2.996674 48.06672 
1 1 1    6   28   19 o  171.726   21.324   43.798   9.2812   42.433   13.256   45.110   12.999  154.667   34.012  162.190   32.078 -7.522659 46.75299 
1 1 1    6   28   20 o   59.948   26.628   1.0507   8.2730 -17.9039   13.047   13.796   10.699   53.559   26.394   88.002   33.649 -34.44368 42.76544 
1 1 1    6   28   21 o   85.308   30.887   12.745   8.7802   12.447   13.297   12.976   11.692   84.790   35.656   85.390   34.395 -0.6003036 49.54187 
1 1 1    6   28   22 o   58.469   25.720   1.6959   7.5390  -1.3180   10.587   4.7959   10.738   61.225   28.319   69.825   30.705 -8.599201 41.77031 
1 1 1    6   28   23 o   40.527   19.667  -8.1373   6.4597  -0.2578   17.634  -9.3586   6.9422   72.407   34.434   41.156   20.065 31.25090 39.85395 
1 1 1    6   28   24 o   75.945   28.476   9.8879   7.5738   18.020   17.532   8.0220   8.3979   88.582   39.083   71.641   29.047 16.94088 48.69491 
1 1 1    6   28   25 o   60.988   27.203   2.5530   8.7271   0.0000   0.0000   2.5530   8.7271  ?   ?    60.988   27.203 0.000000 27.20290 
1 1 1    6   28   26 o   54.964   25.404  -0.7343   8.4971 -14.7000   16.749   4.1056   9.8602   59.030   29.240   64.354   28.794 -5.324650 41.03732 
1 1 1    6   28   27 o   52.017   23.800  -0.1099   7.1981 -16.9100   17.650   3.2417   7.8835   58.113   28.987   59.020   26.115 -0.9071083 39.01619 
1 1 1    6   28   28 o   71.745   28.649   9.9513   8.0350   11.960   16.915   9.3659   9.1310   74.172   34.798   70.314   29.557 3.858231 45.65643 
1 1 1    6   28   29 o   64.990   27.660   7.3562   8.1608   7.5920   17.995   7.2952   9.1566   69.086   33.357   65.316   28.547 3.770203 43.90445 
1 1 1    6   28   30 o   95.979   29.851   19.968   8.2095   18.320   19.567   20.321   9.0440   74.365   35.613   93.300   31.515 -18.93479 47.55513 
1 1 1    6   28   31 o  104.388   33.734   27.557   10.396   30.500   20.099   26.482   12.147   80.679   37.876   93.462   35.826 -12.78275 52.13537 
1 1 1    6   28   32 o   66.583   31.099   10.940   13.259   13.760   20.050   8.7480   17.677   67.658   33.219   64.893   31.721 2.764610 45.93136 
1 1 1    6   28   33 o   41.899   20.543  -6.8295   7.5845   18.080   18.931 -11.5923   8.2779   68.301   33.263   40.026   19.947 28.27496 38.78587 
1 1 1    6   28   34 o   59.423   25.853   7.3402   7.4345  -2.4770   16.361   9.8947   8.3459   55.234   27.606   63.783   27.570 -8.549244 39.01538 
1 1 1    6   28   35 o   57.287   25.920   7.0728   8.2447   32.140   20.274   2.1060   9.0246   69.281   33.888   51.343   24.478 17.93709 41.80341 
1 1 1    6   29    0 o   87.181   32.707   10.775   9.9944   10.874   14.563   10.687   13.741   92.331   37.938   91.093   37.074 1.237923 53.04477 
1 1 1    6   29    1 o  174.499   29.381   46.393   12.809   42.242   16.189   53.340   20.944  156.317   39.859  168.026   46.529 -11.70857 61.26696 
1 1 1    6   29    2 o  225.282   23.282   72.887   13.390   74.243   16.956   70.640   21.827  220.009   30.580  199.367   43.491 20.64168 53.16515 
1 1 1    6   29    3 o  188.928   23.163   51.400   11.098   51.672   15.758   51.132   15.633  178.337   35.362  177.499   35.244 0.8376923 49.92640 
1 1 1    6   29    4 o  302.743   16.107  124.875   12.586  101.642   18.048  146.866   17.559  261.698   27.013  322.776   21.118 -61.07779 34.28837 
1 1 1    6   29    5 o  299.756   15.609  122.158   12.078  122.093   17.527  122.216   16.667  291.257   23.429  292.977   22.126 -1.719940 32.22552 
1 1 1    6   29    6 o  181.095   24.235   47.938   11.083   57.043   17.160   41.421   14.518  184.678   37.159  157.326   36.355 27.35146 51.98529 
1 1 1    6   29    7 o  218.740   19.986   67.420   11.199   70.486   17.631   65.347   14.501  209.464   33.632  208.109   27.579 1.355560 43.49407 
1 1 1    6   29    8 o  209.790   20.078   62.230   10.778   57.291   15.913   66.415   14.649  187.672   33.986  209.287   27.702 -21.61508 43.84563 
1 1 1    6   29    9 o  194.706   22.147   54.784   10.971   45.464   16.719   61.833   14.540  158.409   40.568  200.168   28.877 -41.75891 49.79634 
1 1 1    6   29   10 o  114.421   30.757   21.313   9.3121   33.536   14.258   12.222   12.297  136.314   38.620   90.117   35.612 46.19735 52.53344 
1 1 1    6   29   11 o  131.072   30.314   27.784   10.087   21.185   15.516   32.615   13.275  106.809   40.598  135.594   36.839 -28.78512 54.82014 
1 1 1    6   29   12 o   69.119   30.270   2.5107   10.341   25.290   22.015  -3.9385   11.714  109.791   46.010   63.763   29.596 46.02771 54.70656 
1 1 1    6   29   13 o  120.247   36.895   26.698   12.589   25.010   20.754   27.680   15.835  108.302   44.969  116.739   41.573 -8.436806 61.24183 
1 1 1    6   29   14 o   99.523   34.469   17.741   10.834   18.395   14.867   17.000   15.820   98.759   39.116   96.353   39.560 2.406105 55.63346 
1 1 1    6   29   15 o   70.788   29.581   5.6663   9.0626   0.1833   14.112   9.5146   11.823   71.691   32.993   81.353   33.873 -9.661850 47.28566 
1 1 1    6   29   16 o  181.789   20.497   48.696   9.4834   38.055   15.191   55.491   12.139  136.148   40.261  188.213   25.561 -52.06528 47.69000 
1 1 1    6   29   17 o   52.591   24.758  -4.9250   8.6897  -3.9362   13.708  -5.5893   11.236   65.604   30.948   58.759   27.810 6.845295 41.60748 
1 1 1    6   29   18 o   53.063   24.548  -2.5921   7.9607  -6.5928   11.756   0.7957   10.818   58.593   27.935   64.698   29.437 -6.104511 40.58210 
1 1 1    6   29   19 o   80.118   30.823   11.039   9.0116  -0.2326   14.460   18.197   11.523   69.103   32.341   95.110   35.229 -26.00745 47.82285 
1 1 1    6   29   20 o   93.925   30.991   16.418   8.7537   32.307   13.067   3.4813   11.791  123.747   37.512   68.751   31.062 54.99596 48.70278 
1 1 1    6   29   21 o   92.714   29.818   15.847   8.1298   23.108   11.285   8.0136   11.722  105.133   35.206   74.320   32.396 30.81400 47.84266 
1 1 1    6   29   22 f   77.051   29.565   10.588   8.2778   10.259   11.598   10.929   11.818   76.869   32.851   78.025   33.248 -1.156319 46.74002 
1 1 1    6   29   23 o  143.139   34.188   40.984   12.502   0.0000   0.0000   40.984   12.502  ?   ?   143.139   34.188 0.000000 34.18794 
1 1 1    6   29   24 o   45.844   22.600 -12.5728   9.5930   0.0000   0.0000 -12.5728   9.5930  ?   ?    45.844   22.600 0.000000 22.59981 
1 1 1    6   29   25 o   68.899   27.989   8.3513   7.8140   20.680   18.252   5.5844   8.6465   83.587   38.110   63.887   27.836 19.70028 47.19393 
1 1 1    6   29   26 f   47.533   22.446  -2.8383   7.2438 -16.6900   17.578  -0.0050   7.9502   56.685   28.373   53.063   24.542 3.621540 37.51492 
1 1 1    6   29   27 o   52.140   24.380  -0.5199   8.1847  -8.7710   18.262   1.5540   9.1557   59.732   29.745   56.534   26.214 3.197819 39.64790 
1 1 1    6   29   28 o   47.468   22.838  -4.1785   8.2607   0.3721   19.067  -5.2300   9.1655   63.250   31.306   48.481   23.504 14.76876 39.14732 
1 1 1    6   29   29 o   75.674   29.441   13.542   8.2931   3.9760   19.613   15.625   9.1515   63.712   31.574   78.674   30.838 -14.96182 44.13458 
1 1 1    6   29   30 o   52.124   24.655   0.3339   8.8052   6.5190   19.148  -1.3247   9.9157   63.372   31.368   52.064   25.042 11.30749 40.13788 
1 1 1    6   29   31 o   54.109   25.416   2.4273   9.0707  -3.1940   19.341   4.0123   10.270   57.875   29.080   56.961   26.846 0.9140587 39.57685 
1 1 1    6   29   32 o   40.752   20.203  -8.9765   8.0598 -20.8300   18.003  -6.0053   9.0136   49.824   25.363   45.064   22.155 4.760048 33.67665 
1 1 1    6   29   33 o   39.675   19.748  -9.4784   8.0121  -8.3450   17.551  -9.7767   9.0052   52.125   26.375   41.633   20.757 10.49212 33.56335 
1 1 1    6   29   34 o   41.814   20.579  -5.1587   7.8440   13.550   19.625  -8.7158   8.5573   58.532   29.394   40.618   20.248 17.91370 35.69307 
1 1 1    6   30    0 o  185.340   23.536   50.673   11.044   57.716   16.589   45.066   14.802  184.003   36.094  161.775   36.224 22.22774 51.13694 
1 1 1    6   30    1 o  285.163   16.609  112.381   12.215  111.167   17.603  113.510   16.965  272.853   25.190  277.650   23.819 -4.796967 34.66868 
1 1 1    6   30    2 o   90.871   35.149   12.984   11.768  -1.4721   15.311   33.850   18.396   74.573   34.337  127.882   44.880 -53.30946 56.50879 
1 1 1    6   30    3 o  145.003   31.982   34.545   11.690   31.011   14.579   40.910   19.563  128.593   39.744  138.823   46.354 -10.22963 61.05980 
1 1 1    6   30    4 o   55.612   26.051  -5.6269   9.4187 -20.8997   14.301   6.0714   12.516   56.538   27.818   78.968   33.947 -22.42989 43.88889 
1 1 1    6   30    5 o   86.570   32.680   11.660   10.010   12.019   15.142   11.381   13.342   90.679   38.087   88.300   36.301 2.379150 52.61564 
1 1 1    6   30    6 o  174.189   27.154   47.021   11.852   68.350   23.095   39.396   13.809  178.503   48.629  149.677   36.048 28.82603 60.53239 
1 1 1    6   30    7 o   53.678   25.857 -10.9086   10.665   25.720   22.053 -22.0893   12.184  109.258   45.931   49.935   24.770 59.32334 52.18486 
1 1 1    6   30    8 o  111.719   38.699   24.020   13.656   24.600   22.676   23.690   17.106  106.769   45.789  107.737   42.180 -0.9681625 62.25611 
1 1 1    6   30    9 o  156.573   35.196   43.326   13.927   52.170   21.547   36.980   18.253  148.800   48.599  129.037   44.738 19.76274 66.05560 
1 1 1    6   30   10 f  102.544   33.945   18.993   10.499   30.115   13.749   3.4400   16.259  123.843   38.650   78.516   35.865 45.32706 52.72672 
1 1 1    6   30   11 o  157.637   27.959   40.124   10.998   40.141   14.413   40.100   17.017  144.845   37.957  135.795   43.084 9.049713 57.41935 
1 1 1    6   30   12 o   95.885   30.624   16.056   8.5866   16.205   12.718   15.932   11.640   92.887   36.369   92.746   35.184 0.1410065 50.60255 
1 1 1    6   30   13 o   98.612   31.509   17.486   9.0893   14.630   13.710   19.725   12.141   89.056   36.727   99.784   36.290 -10.72771 51.63195 
1 1 1    6   30   14 o   57.341   25.880  -0.0963   8.1603  -2.7106   12.069   2.1054   11.076   63.126   29.545   66.949   30.190 -3.823353 42.24086 
1 1 1    6   30   15 o  180.713   20.718   49.099   9.5227   35.645   14.736   58.745   12.478  127.316   40.059  190.801   25.918 -63.48442 47.71246 
1 1 1    6   30   16 o  124.903   28.931   27.083   9.1765   6.4758   13.569   44.452   12.457   74.763   33.591  157.491   31.635 -82.72811 46.14258 
1 1 1    6   30   17 f   74.483   29.644   9.1109   8.5765   3.6531   12.869   13.472   11.504   69.930   31.929   83.789   33.988 -13.85818 46.63336 
1 1 1    6   30   18 o   85.847   31.276   14.058   9.0232   18.973   12.955   9.4276   12.575   92.360   36.536   76.558   33.458 15.80223 49.54052 
1 1 1    6   30   19 o  145.458   23.052   33.839   8.3958   36.922   11.536   30.367   12.243  139.035   32.597  118.417   36.392 20.61784 48.85616 
1 1 1    6   30   20 o   53.969   24.871  -0.8632   8.0561   4.1028   11.187  -6.2120   11.610   66.478   30.125   56.207   27.051 10.27056 40.48811 
1 1 1    6   30   21 o   67.870   28.865   7.0395   8.8757  -0.7189   14.736   11.457   11.119   65.024   31.077   76.607   32.431 -11.58380 44.91692 
1 1 1    6   30   22 o   88.022   32.853   17.237   10.058   21.150   12.754   10.800   16.359   91.102   36.184   75.059   34.885 16.04304 50.26149 
1 1 1    6   30   23 o  129.920   28.921   31.990   9.4825   39.396   11.846   18.780   15.821  136.100   33.764   81.789   36.543 54.31132 49.75360 
1 1 1    6   30   24 o   51.257   23.649  -0.0313   7.3154   33.930   17.995  -6.7552   8.0070   94.372   40.638   45.089   21.884 49.28248 46.15552 
1 1 1    6   30   25 o   63.694   27.350   7.1346   8.1081   28.310   18.532   2.1218   9.0169   83.962   38.328   56.623   26.170 27.33871 46.41043 
1 1 1    6   30   26 f   48.531   23.194  -2.7686   8.2077   18.270   18.423  -7.9787   9.1679   73.057   34.869   45.864   22.507 27.19248 41.50193 
1 1 1    6   30   27 o   74.202   29.645   13.500   8.6081   15.660   19.160   12.954   9.6353   69.061   33.596   71.519   30.229 -2.457581 45.19343 
1 1 1    6   30   28 o   64.245   28.834   9.4812   9.9692   30.870   19.356   1.7583   11.631   77.157   36.513   56.290   27.087 20.86745 45.46323 
1 1 1    6   30   29 o   59.567   28.673   5.9646   13.057  -4.2310   19.373   14.450   17.674   56.894   28.654   65.353   31.896 -8.458771 42.87703 
1 1 1    6   30   30 o   65.903   27.617   10.946   7.9311   6.3050   18.610   11.976   8.7671   59.514   29.699   66.765   28.548 -7.250443 41.19461 
1 1 1    6   30   31 o   47.288   22.760  -0.8708   8.2205  -0.7137   15.879  -0.9283   9.6084   54.041   27.038   49.117   23.870 4.924168 36.06666 
1 1 1    6   30   32 o   68.008   28.870   14.723   8.8494   1.6030   18.835   18.440   10.025   54.266   27.442   71.592   30.567 -17.32565 41.07837 
1 1 1    6   30   33 o   49.387   23.570   3.0989   8.4138   19.370   20.715  -0.1157   9.2074   57.841   29.194   46.998   22.957 10.84245 37.13849 
1 1 1    6   31    0 o   65.875   29.884   0.2872   11.045  -6.0741   13.852   11.390   18.300   64.893   30.761   88.325   39.394 -23.43150 49.98170 
1 1 1    6   31    1 o   59.090   28.025  -6.6806   11.527 -16.1069   14.989   6.9620   18.033   59.650   29.169   83.411   37.972 -23.76165 47.88221 
1 1 1    6   31    2 o   58.033   27.386  -5.7249   10.750  -9.9252   14.079   0.1473   16.647   62.050   29.844   75.165   35.020 -13.11455 46.01140 
1 1 1    6   31    3 o  128.267   33.970   29.733   11.465   23.902   14.860   38.310   18.023  106.903   39.925  128.862   44.468 -21.95824 59.76136 
1 1 1    6   31    4 o  174.879   27.139   48.920   11.895   34.425   15.130   72.380   19.248  128.204   40.620  193.852   39.669 -65.64778 56.77744 
1 1 1    6   31    5 o  152.998   26.259   37.244   10.032   39.478   14.788   35.340   13.654  140.519   39.164  134.584   37.676 5.934860 54.34465 
1 1 1    6   31    6 o   88.800   31.964   13.921   9.3850   12.665   14.259   14.880   12.466   86.481   36.675   89.973   35.761 -3.491661 51.22368 
1 1 1    6   31    7 f   67.613   29.122   4.3831   9.2464  -5.7314   14.704   10.999   11.892   65.751   31.318   82.303   34.096 -16.55230 46.29639 
1 1 1    6   31    8 o  129.523   28.910   28.400   9.4536   33.204   14.235   24.609   12.645  125.258   39.365  109.411   37.263 15.84679 54.20460 
1 1 1    6   31    9 o  160.292   25.052   40.862   10.061   22.294   14.905   56.404   13.637  100.245   39.337  181.794   30.006 -81.54849 49.47506 
1 1 1    6   31   10 o   70.089   29.247   6.5136   8.8413  -2.8628   12.714   15.294   12.303   63.691   29.972   88.566   35.421 -24.87530 46.39978 
1 1 1    6   31   11 o   42.843   21.160 -14.0215   8.5438  -4.7347   13.125 -20.8505   11.255   62.327   29.660   46.382   23.138 15.94544 37.61742 
1 1 1    6   31   12 o   98.341   31.392   18.267   9.0235   25.630   13.270   11.934   12.307  106.801   38.055   81.292   34.251 25.50959 51.19811 
1 1 1    6   31   13 o   86.333   31.078   14.080   8.8719   16.054   13.971   12.747   11.485   87.010   36.567   81.997   33.692 5.013100 49.72208 
1 1 1    6   31   14 o   57.257   26.114   0.1210   8.5776   14.252   14.056  -8.2648   10.828   83.453   35.926   53.386   25.800 30.06672 44.22993 
1 1 1    6   31   15 o   97.905   31.354   18.764   8.9960   16.978   13.542   20.175   12.035   87.016   36.244   94.704   35.813 -7.687958 50.95286 
1 1 1    6   31   16 o   76.187   30.205   10.629   8.8723  -4.4561   13.142   23.260   12.026   60.549   29.047  100.554   36.185 -40.00546 46.40106 
1 1 1    6   31   17 f   96.258   29.404   17.710   8.0062   14.659   10.478   21.991   12.411   83.396   32.899   95.771   36.331 -12.37470 49.01340 
1 1 1    6   31   18 o   89.377   29.864   15.840   8.1205   9.9703   11.655   21.379   11.321   73.786   32.229   95.710   35.008 -21.92419 47.58402 
1 1 1    6   31   19 o   56.239   26.041   0.1311   8.9890 -24.2400   14.150   16.621   11.639   49.097   24.697   83.909   34.132 -34.81186 42.12991 
1 1 1    6   31   20 o   48.182   23.365  -7.0012   9.0749  -9.9700   11.268  -1.5220   15.308   50.781   24.927   62.885   30.460 -12.10391 39.35904 
1 1 1    6   31   21 o   57.943   26.487   2.4789   8.8891   8.1909   11.245  -7.0340   14.512   67.974   30.557   57.372   28.187 10.60211 41.57222 
1 1 1    6   31   22 o   64.905   27.267   7.6686   7.7633   5.4312   11.193   9.7431   10.777   63.239   29.203   68.802   30.484 -5.562775 42.21530 
1 1 1    6   31   23 o   64.162   27.261   7.8068   7.9024  -7.7632   10.721   26.327   11.693   49.367   24.249   95.917   35.496 -46.54960 42.98813 
1 1 1    6   31   24 o   98.415   33.054   24.959   9.9480   25.050   17.504   24.916   12.090   77.668   36.094   88.968   35.263 -11.29959 50.46024 
1 1 1    6   31   25 o   67.957   28.310   10.852   8.2638   43.410   18.303   2.5165   9.2615   92.291   40.348   54.988   25.782 37.30329 47.88230 
1 1 1    6   31   26 f   45.250   21.848  -3.3757   7.7184  -3.6880   17.647  -3.3018   8.5829   56.415   28.266   47.079   22.805 9.335876 36.31832 
1 1 1    6   31   27 o   54.730   26.687   1.2790   12.292   1.4690   17.749   1.1040   17.038   57.573   28.772   57.147   28.502 0.4257736 40.49901 
1 1 1    6   31   28 o   79.608   31.621   20.127   9.7412   23.380   17.667   18.706   11.676   67.963   32.872   71.605   31.728 -3.641808 45.68631 
1 1 1    6   31   29 f   48.586   23.233   0.6481   8.2594   9.2980   17.715  -1.7546   9.3363   58.373   29.105   47.696   23.258 10.67656 37.25584 
1 1 1    6   31   30 o   55.621   25.561   7.1512   8.4299   15.110   19.373   5.2923   9.3628   58.721   29.449   53.407   25.309 5.314110 38.83055 
1 1 1    6   31   31 o   37.399   18.833 -12.0061   8.3523 -12.1800   18.657 -11.9625   9.3405   48.250   24.669   39.317   19.814 8.932983 31.64043 
1 1 1    6   32    0 o  102.533   31.824   19.862   9.3358   23.382   13.928   16.991   12.581  101.367   38.479   90.602   35.952 10.76536 52.66108 
1 1 1    6   32    1 o   79.792   31.265   11.195   9.4041   3.6085   14.257   17.037   12.512   71.983   33.140   90.705   35.897 -18.72129 48.85601 
1 1 1    6   32    2 o   69.150   29.534   6.0083   9.3639   22.895   13.273 -10.7226   13.212  101.316   37.754   57.440   27.932 43.87649 46.96350 
1 1 1    6   32    3 o   91.422   34.545   16.956   11.193   18.103   14.440   15.230   17.717   90.988   37.623   86.400   38.632 4.588112 53.92500 
1 1 1    6   32    4 o   52.961   25.243  -5.8991   9.5867 -11.5554   12.239   3.0820   15.422   54.557   26.609   72.317   33.697 -17.76009 42.93629 
1 1 1    6   32    5 o   50.813   24.319  -6.5680   9.0908  -2.5252   13.866  -9.6154   12.039   64.880   30.761   55.458   26.898 9.421227 40.86267 
1 1 1    6   32    6 o  130.291   27.224   28.924   8.8919   24.703   13.484   32.173   11.828  103.168   38.130  126.541   34.937 -23.37323 51.71540 
1 1 1    6   32    7 o   90.093   32.145   15.986   9.4716   5.8037   14.601   23.384   12.446   73.362   33.687  102.055   36.800 -28.69324 49.89034 
1 1 1    6   32    8 o   68.898   29.180   6.7128   9.0072   14.663   13.186  -0.2427   12.333   83.991   35.424   63.887   29.890 20.10426 46.34905 
1 1 1    6   32    9 o   90.352   31.040   15.946   8.7770   11.300   14.129   18.865   11.200   78.642   34.871   93.255   34.694 -14.61308 49.19046 
1 1 1    6   32   10 o   67.776   28.569   6.6752   8.5687   10.920   12.863   3.2889   11.489   77.293   33.807   66.010   30.151 11.28361 45.29876 
1 1 1    6   32   11 o  102.676   31.268   20.827   9.0635   37.012   13.554   7.7344   12.190  126.960   38.142   72.064   32.146 54.89616 49.88137 
1 1 1    6   32   12 o  113.160   29.794   24.184   8.8533   39.335   13.233   11.907   11.912  133.329   37.008   77.616   33.234 55.71336 49.74018 
1 1 1    6   32   13 o   47.779   22.777  -4.8245   7.8116  -9.6883   11.477  -0.6262   10.663   52.488   25.636   59.111   27.699 -6.623356 37.74149 
1 1 1    6   32   14 o   48.426   23.116  -4.8015   8.1026 -15.3029   11.626   5.1183   11.299   48.760   24.189   66.433   30.171 -17.67266 38.67060 
1 1 1    6   32   15 o   62.203   26.762   5.1880   7.7898   5.7549   10.584   4.5181   11.506   66.053   29.674   65.316   29.960 0.7363281 42.16779 
1 1 1    6   32   16 o  119.937   31.368   29.271   9.8563   12.350   15.543   40.651   12.747   74.968   34.547  133.873   35.984 -58.90504 49.88366 
1 1 1    6   32   17 o   75.933   32.357   13.131   11.193   25.760   15.066  -2.4220   16.720   90.798   38.057   62.962   30.792 27.83617 48.95405 
1 1 1    6   32   18 o   67.393   28.300   8.5444   8.3567   6.2469   9.9813   13.930   15.282   64.129   28.812   74.148   34.200 -10.01820 44.71867 
1 1 1    6   32   19 o   49.465   23.175  -1.1047   7.4593   10.418   11.483  -9.5161   9.8112   69.402   31.062   46.725   22.999 22.67710 38.64990 
1 1 1    6   32   20 o   73.978   29.086   12.397   8.1643  -1.2123   12.650   22.113   10.688   57.009   27.632   90.055   33.815 -33.04540 43.66932 
1 1 1    6   32   21 o   35.380   17.721 -13.3255   6.9106 -11.4438   10.786 -14.6357   9.0003   46.345   23.043   40.489   20.272 5.856079 30.69057 
1 1 1    6   32   22 o   49.777   23.242   0.5437   7.3963   6.2427   10.689  -4.6911   10.245   60.329   28.092   49.406   24.150 10.92300 37.04591 
1 1 1    6   32   23 o   62.861   27.075   8.7889   7.9913   6.4720   11.369   11.052   11.235   59.690   28.166   64.850   29.694 -5.160072 40.92753 
1 1 1    6   32   24 o   66.224   28.939   11.966   9.4054   6.7640   16.766   14.355   11.362   59.787   29.549   67.589   30.518 -7.801601 42.47947 
1 1 1    6   32   25 o   44.778   22.514 -12.8797   11.694  -1.8050   16.282 -24.6800   16.807   54.345   27.217   46.762   23.867 7.582447 36.20000 
1 1 1    6   32   26 o   47.290   23.191  -2.9686   9.6830   2.5670   16.525  -5.8632   11.949   55.376   27.687   48.153   23.992 7.223858 36.63616 
1 1 1    6   32   27 o   77.567   29.966   18.560   8.5453   16.980   16.926   19.100   9.8996   61.219   30.148   73.388   30.809 -12.16884 43.10596 
1 1 1    6   32   28 o   48.724   23.351   1.9742   8.4480   24.890   18.324  -4.2111   9.5201   62.524   30.900   44.704   22.126 17.81947 38.00461 
1 1 1    6   32   29 o   39.152   19.431  -6.2858   7.5316 -21.9500   17.854  -2.8951   8.3068   45.010   23.093   43.145   21.223 1.864895 31.36355 
1 1 1    6   32   30 o   49.335   23.220   4.9521   7.6362  -5.3690   19.268   6.8753   8.3172   48.115   24.636   51.707   24.304 -3.591908 34.60621 
1 1 1    6   33    0 o   75.900   30.355   10.913   9.0354   21.160   13.358   2.2699   12.268   91.942   36.859   64.892   30.176 27.04977 47.63619 
1 1 1    6   33    1 o   50.929   23.774  -2.1706   7.7317  -4.7745   11.105   0.2795   10.771   55.938   26.799   60.503   28.182 -4.565125 38.89011 
1 1 1    6   33    2 o   78.999   29.835   12.082   8.3460   16.788   12.341   8.1153   11.330   85.293   34.971   71.322   31.446 13.97061 47.02957 
1 1 1    6   33    3 o   71.437   29.030   8.9544   8.4095   23.080   11.583  -6.7899   12.229   99.448   35.541   56.282   27.252 43.16619 44.78652 
1 1 1    6   33    4 o   61.290   27.706   2.8120   9.3948   2.8167   12.158   2.8050   14.801   65.067   30.184   67.809   32.040 -2.741676 44.01849 
1 1 1    6   33    5 o  116.791   33.526   28.674   10.674   23.050   13.107   39.750   18.394   95.024   37.000  109.903   43.516 -14.87846 57.11959 
1 1 1    6   33    6 o   66.307   28.559   6.4874   8.8912   6.2925   12.462   6.6896   12.690   68.973   31.464   69.612   31.754 -0.6388092 44.70211 
1 1 1    6   33    7 o   76.697   30.618   11.756   9.1751   18.675   14.053   6.6157   12.113   85.262   36.292   68.849   31.257 16.41312 47.89732 
1 1 1    6   33    8 o  116.354   30.209   26.411   9.1850   26.117   13.196   26.687   12.793   99.413   37.522  101.842   37.219 -2.429077 52.85078 
1 1 1    6   33    9 o   51.853   24.496  -2.7007   8.6438  -1.3123   12.901  -3.8319   11.644   60.857   29.083   56.748   27.255 4.108284 39.85763 
1 1 1    6   33   10 o   97.065   31.193   19.894   8.8979   23.367   12.930   16.770   12.263   93.297   36.629   82.496   34.437 10.80144 50.27505 
1 1 1    6   33   11 o   92.738   30.183   17.917   8.3136   6.6900   11.881   28.686   11.637   67.302   30.710  108.657   35.726 -41.35441 47.11119 
1 1 1    6   33   12 o   65.724   28.569   7.1232   9.0626  -6.0540   15.360   14.159   11.224   59.350   29.127   77.653   32.713 -18.30350 43.80082 
1 1 1    6   33   13 o   63.457   28.750   5.4715   10.183   3.7620   12.677   8.5810   17.097   63.568   29.919   69.936   33.438 -6.367359 44.86882 
1 1 1    6   33   14 o  121.099   36.665   37.007   12.489   16.550   16.544   64.110   19.042   75.701   35.149  136.216   45.731 -60.51517 57.67874 
1 1 1    6   33   15 o   65.426   28.883   7.8956   9.5893   7.9307   11.822   7.8280   16.397   66.139   30.349   67.343   32.343 -1.204208 44.35195 
1 1 1    6   33   16 o   61.093   26.272   6.3194   7.5013   25.027   10.428 -13.7395   10.798   98.529   33.835   45.644   22.753 52.88464 40.77374 
1 1 1    6   33   17 o   58.304   25.603   5.2406   7.4425   1.3504   10.682   8.9100   10.375   56.454   26.834   65.259   29.342 -8.805485 39.76235 
1 1 1    6   33   18 o   74.360   28.224   12.792   7.4923   18.855   11.667   8.5369   9.7740   77.914   33.114   63.653   28.561 14.26150 43.72949 
1 1 1    6   33   19 o   64.920   26.813   9.2973   7.3222   5.2422   10.054   13.877   10.685   58.368   27.201   69.940   30.696 -11.57246 41.01373 
1 1 1    6   33   20 o   48.211   22.812  -0.2036   7.5511  -4.0738   11.670   2.5834   9.9035   50.797   25.019   54.412   25.856 -3.614895 35.97889 
1 1 1    6   33   21 o   80.021   29.689   17.286   8.1906   13.231   12.336   20.482   10.953   64.820   30.182   77.147   32.398 -12.32724 44.27844 
1 1 1    6   33   22 o   72.967   29.003   15.046   8.2003   22.136   12.735   10.024   10.718   73.243   32.751   60.863   28.271 12.38016 43.26492 
1 1 1    6   33   23 o   44.415   22.270 -10.1694   11.046   11.580   16.315 -28.5800   15.011   59.397   29.317   42.875   21.937 16.52248 36.61618 
1 1 1    6   33   24 f   61.652   27.346   11.045   8.6956   0.6959   9.8906   46.280   18.250   49.569   24.119   79.428   36.892 -29.85937 44.07705 
1 1 1    6   33   25 o   44.032   21.316  -1.4112   7.4729   13.620   16.053  -5.5698   8.4436   58.069   28.739   42.101   20.837 15.96782 35.49810 
1 1 1    6   33   26 o   58.813   26.107   10.192   7.9404   9.9770   16.918   10.252   8.9925   54.705   27.447   57.730   26.482 -3.024986 38.13994 
1 1 1    6   33   27 o   65.918   28.220   15.872   8.5849   21.400   18.059   14.259   9.7580   57.362   28.719   60.511   27.695 -3.149857 39.89722 
1 1 1    6   33   28 o   48.447   23.342   4.5489   8.7024   21.760   19.321   0.1685   9.7471   54.703   27.678   45.361   22.439 9.342377 35.63184 
1 1 1    6   33   29 o   36.716   18.703 -15.0660   9.9127 -20.5900   19.663 -13.1838   11.478   43.182   22.248   39.372   20.062 3.810398 29.95757 
1 1 1    6   34    0 o  113.339   37.498   33.719   12.812   34.390   17.591   32.960   18.698   96.574   40.833   92.274   40.550 4.300056 57.54634 
1 1 1    6   34    1 o   78.185   32.128   14.298   10.445   11.720   19.264   15.371   12.430   72.814   34.993   78.150   33.713 -5.336510 48.59138 
1 1 1    6   34    2 o   59.986   27.485   3.2100   9.6467   7.3330   17.745   1.4804   11.493   69.462   33.433   60.247   28.396 9.214966 43.86467 
1 1 1    6   34    3 o   95.439   32.764   21.249   9.7778   37.800   16.476   12.252   12.148  104.854   41.290   73.530   32.483 31.32343 52.53568 
1 1 1    6   34    4 o   57.741   26.854   1.5018   9.7190   9.3300   17.917  -1.7619   11.569   70.595   33.879   57.061   27.342 13.53395 43.53573 
1 1 1    6   34    5 o   71.689   31.830   11.181   11.809   11.970   17.152   10.470   16.284   72.244   34.241   70.968   33.556 1.276566 47.94202 
1 1 1    6   34    6 o   54.137   26.421  -6.0384   12.123   6.9270   18.132 -16.5200   16.303   68.425   33.145   54.268   27.187 14.15750 42.86866 
1 1 1    6   34    7 o   63.735   30.032   4.5812   12.842  -4.9790   18.901   12.780   17.503   61.912   30.735   72.078   34.286 -10.16607 46.04591 
1 1 1    6   34    8 o   69.701   31.171   10.476   11.540   1.5740   14.831   24.140   18.374   62.313   30.134   80.620   37.295 -18.30629 47.94752 
1 1 1    6   34    9 o   78.382   33.603   17.044   12.204   31.180   17.999   5.0160   16.603   87.364   39.010   65.287   31.647 22.07660 50.23252 
1 1 1    6   34   10 o   73.885   30.564   12.984   9.5353   7.6102   11.530   24.610   16.960   65.036   29.890   80.943   36.840 -15.90707 47.44074 
1 1 1    6   34   11 o   70.214   30.007   11.433   9.6774   12.774   11.496   8.1700   17.930   71.201   31.519   66.413   32.350 4.787926 45.16588 
1 1 1    6   34   12 o   50.403   23.809  -0.7939   8.1636   6.2674   11.661  -7.5812   11.433   62.356   29.138   50.225   24.743 12.13089 38.22585 
1 1 1    6   34   13 o   57.995   25.791   5.1869   7.7832  -2.5139   10.869   13.292   11.151   52.692   25.556   70.502   31.134 -17.81020 40.27998 
1 1 1    6   34   14 o   54.589   24.905   3.4031   7.8099   4.7115   11.258   2.1892   10.844   59.076   27.923   56.271   26.828 2.805031 38.72256 
1 1 1    6   34   15 o   68.797   31.331   14.423   12.291   14.423   12.291   0.0000   0.0000   68.797   31.331  ?   ?  0.000000 31.33111 
1 1 1    6   34   16 o   60.572   26.416   7.8047   7.8018   10.498   11.475   5.4898   10.639   63.441   29.392   57.874   27.290 5.567368 40.10798 
1 1 1    6   34   17 o   36.408   18.224 -11.9050   7.2539  -8.8016   9.8943 -15.5116   10.666   44.438   22.091   42.106   21.213 2.332031 30.62692 
1 1 1    6   34   18 o   53.329   24.817   4.0673   8.3217   0.5143   11.611   7.8195   11.932   52.433   25.646   58.503   27.961 -6.070705 37.94190 
1 1 1    6   34   19 o   51.837   24.309   3.5030   8.2388  -6.8742   11.837   13.254   11.474   47.290   23.612   63.059   29.277 -15.76975 37.61267 
1 1 1    6   34   20 o   58.909   27.429   9.8366   10.187   20.690   18.955   5.4287   12.080   61.910   30.742   54.617   26.593 7.292950 40.64794 
1 1 1    6   34   21 o   45.439   22.760  -7.1674   11.399 -21.8500   18.128   2.4340   14.660   46.500   23.816   52.625   26.276 -6.124760 35.46323 
1 1 1    6   34   22 o   61.649   28.100   13.465   9.9127   4.8539   12.208   30.130   16.983   52.504   25.807   66.153   32.052 -13.64868 41.15046 
1 1 1    6   34   23 o   57.335   26.034   9.8659   8.4068   13.269   12.292   6.8747   11.524   57.765   27.809   52.957   25.826 4.808277 37.95178 
1 1 1    6   34   24 o   48.809   23.093   4.1393   7.7350   0.4531   11.601   7.0899   10.379   47.756   23.769   52.138   25.212 -4.382252 34.64975 
1 1 1    6   34   25 o   37.847   19.111 -10.9703   8.9362 -38.1000   16.913  -0.4629   10.525   39.663   20.444   45.618   22.695 -5.955036 30.54533 
1 1 1    6   34   26 o   34.106   17.360 -15.8119   8.4148 -21.0900   17.605 -14.2489   9.5801   42.433   21.821   36.770   18.697 5.662823 28.73515 
1 1 1    6   34   27 o   50.956   24.326   9.6208   8.9783   37.760   19.413   1.9645   10.126   55.945   28.240   44.651   22.221 11.29401 35.93404 
1 1 1    6   35    0 o   63.016   27.469   7.7083   8.4273   3.9192   13.089   10.391   11.014   60.589   29.045   66.957   30.157 -6.367744 41.86986 
1 1 1    6   35    1 o   95.321   31.627   22.209   9.1119   15.277   13.349   28.255   12.468   71.913   32.712   94.270   36.258 -22.35742 48.83378 
1 1 1    6   35    2 o  113.109   30.312   28.140   9.0610   27.643   12.740   28.650   12.889   91.844   36.263   93.184   36.576 -1.340385 51.50550 
1 1 1    6   35    3 o   93.841   31.293   21.445   8.9164   43.208   13.823   5.9372   11.669  118.723   38.933   61.517   28.874 57.20604 48.47116 
1 1 1    6   35    4 o   79.498   30.300   15.786   8.6576   23.238   12.868   9.6210   11.703   83.090   35.016   65.442   30.090 17.64802 46.16867 
1 1 1    6   35    5 o   54.278   25.033   2.6017   8.1853   16.495   11.816 -10.2168   11.350   74.242   32.439   47.876   23.776 26.36600 40.21921 
1 1 1    6   35    6 o   84.302   32.159   19.566   9.7580   28.776   12.471   5.0260   15.670   93.354   36.163   61.626   30.068 31.72770 47.02990 
1 1 1    6   35    7 o   65.251   28.518   9.7512   9.1373  -2.3683   11.971   26.670   14.144   53.578   26.171   83.269   35.942 -29.69108 44.46045 
1 1 1    6   35    8 o   78.704   29.681   15.660   8.2524   9.6713   11.528   21.953   11.818   64.035   29.594   81.325   33.865 -17.28924 44.97392 
1 1 1    6   35    9 o   64.478   27.508   9.5088   8.1074   6.2642   11.536   12.676   11.397   59.832   28.275   67.191   30.431 -7.359509 41.53971 
1 1 1    6   35   10 o   70.520   28.801   12.851   8.3292   12.920   11.692   12.781   11.868   66.559   30.407   66.273   30.410 0.2858505 43.00386 
1 1 1    6   35   11 o   70.986   28.207   12.839   7.7536   11.251   10.723   14.578   11.224   64.289   29.273   68.304   30.630 -4.015533 42.36867 
1 1 1    6   35   12 o   49.412   23.379   0.8330   7.9294  -4.0428   11.623   5.0782   10.845   49.945   24.669   56.534   26.919 -6.588871 36.51336 
1 1 1    6   35   13 o   45.666   21.939  -1.5410   7.5579  -1.9565   11.269  -1.2012   10.190   50.411   24.782   49.820   24.294 0.5917816 34.70340 
1 1 1    6   35   14 o   62.261   26.762   9.9850   7.7769   12.077   10.584   7.5312   11.465   62.724   28.758   57.472   27.452 5.251873 39.75669 
1 1 1    6   35   15 o   70.709   28.796   15.028   8.2969   15.980   12.214   14.212   11.306   64.517   30.038   63.578   29.356 0.9387436 42.00077 
1 1 1    6   35   16 o   57.502   26.132   8.4933   8.4936  -3.0444   11.953   20.262   12.072   48.567   24.165   68.448   31.125 -19.88095 39.40485 
1 1 1    6   35   17 o   53.381   25.465   5.9095   9.7988   7.7690   16.520   4.9001   12.171   54.976   27.516   52.996   25.992 1.979431 37.85139 
1 1 1    6   35   18 f   52.997   26.012   6.0486   12.262  -4.4340   17.863   15.390   16.863   49.998   25.433   57.409   28.587 -7.411037 38.26323 
1 1 1    6   35   19 o   52.578   25.267   6.6287   10.040   9.5300   12.333   0.9280   17.288   54.596   26.646   50.738   25.728 3.858444 37.03954 
1 1 1    6   35   20 o   47.209   22.748   2.3615   8.2679   7.2249   12.068  -1.9412   11.351   52.186   25.652   46.300   23.119 5.885899 34.53306 
1 1 1    6   35   21 f   38.204   19.154  -8.2653   8.1638  -7.3913   11.261  -9.2334   11.852   42.867   21.622   42.646   21.589 0.2211876 30.55492 
1 1 1    6   35   22 o   49.521   23.444   5.8866   7.9957   15.903   10.682  -6.8793   12.059   58.355   27.465   43.158   21.840 15.19732 35.08996 
1 1 1    6   35   23 o   42.155   20.814  -1.0857   8.2471  -5.0628   11.683   2.8641   11.643   42.865   21.669   46.684   23.326 -3.819027 31.83817 
1 1 1    6   35   24 o   54.109   25.237   12.063   8.6836   0.7441   12.353   23.122   12.210   44.775   22.592   58.804   28.153 -14.02814 36.09740 
1 1 1    6   35   25 o   59.581   27.467   20.144   9.8393   15.720   18.757   21.824   11.557   47.988   24.551   56.799   27.246 -8.811592 36.67495 
1 1 1    6   36    0 o   68.844   28.750   13.191   8.5526   17.543   11.773   8.3279   12.445   70.130   31.415   59.571   28.495 10.55943 42.41314 
1 1 1    6   36    1 o   91.970   30.005   21.753   8.2139   16.196   11.314   27.947   11.944   68.999   30.860   86.348   34.770 -17.34895 46.49004 
1 1 1    6   36    2 o   66.411   27.877   11.660   8.1040   9.4258   10.754   14.597   12.328   60.779   28.260   65.672   30.440 -4.892845 41.53569 
1 1 1    6   36    3 o   77.183   29.884   17.030   8.5133   7.2460   11.758   27.811   12.342   58.305   27.836   83.866   34.739 -25.56061 44.51539 
1 1 1    6   36    4 o   34.986   17.658 -15.3256   7.5772 -20.8737   10.256  -8.6582   11.243   38.569   19.584   46.199   23.059 -7.629723 30.25326 
1 1 1    6   36    5 o   49.439   23.313   1.5455   7.7649 -13.0576   11.104   15.522   10.863   43.516   21.888   67.728   30.269 -24.21112 37.35371 
1 1 1    6   36    6 o   65.271   28.870   12.954   9.6254   10.746   11.988   16.960   16.148   60.641   28.708   63.467   30.867 -2.826160 42.15358 
1 1 1    6   36    7 o   64.098   28.321   12.204   9.2392   11.867   11.492   12.820   15.537   61.539   28.811   60.512   29.613 1.027370 41.31540 
1 1 1    6   36    8 o   54.070   24.970   5.4877   8.1844   14.959   11.226  -5.2587   11.958   64.752   29.661   48.007   23.932 16.74557 38.11219 
1 1 1    6   36    9 f   46.816   22.580  -0.3435   8.1919  -9.9357   11.965   8.1202   11.239   45.265   22.761   56.768   27.133 -11.50319 35.41603 
1 1 1    6   36   10 o  126.521   27.344   36.128   8.7001   28.788   12.518   42.986   12.100   78.618   33.874  109.840   36.445 -31.22151 49.75663 
1 1 1    6   36   11 f   55.828   25.207   7.6212   7.7501   12.316   10.642   2.3209   11.308   60.079   27.994   50.959   25.005 9.120644 37.53569 
1 1 1    6   36   12 o   85.461   30.954   23.638   8.8196   22.902   12.459   24.377   12.486   68.435   31.312   70.149   31.804 -1.714371 44.63105 
1 1 1    6   36   13 o   68.340   29.876   18.844   10.034   6.5020   17.975   24.431   12.094   53.167   26.877   70.138   31.595 -16.97155 41.48021 
1 1 1    6   36   14 o   67.278   29.729   19.144   10.183  -2.4260   17.756   29.714   12.430   49.579   25.233   74.709   32.938 -25.12940 41.49239 
1 1 1    6   36   15 o   55.848   26.996   12.282   11.871   15.930   16.589   8.4540   16.995   55.501   27.748   52.354   26.427 3.147102 38.31892 
1 1 1    6   36   16 o   51.730   24.798   7.2894   9.5389  -3.6079   12.069   25.430   15.571   45.342   22.808   60.384   29.570 -15.04194 37.34460 
1 1 1    6   36   17 f   42.132   20.848  -2.5707   8.4359  -7.4428   11.725   2.6588   12.147   42.869   21.675   47.999   23.959 -5.130695 32.30889 
1 1 1    6   36   18 o   42.314   20.698  -0.5446   7.5651   4.8397   10.055  -7.5696   11.485   48.294   23.673   42.130   21.320 6.163437 31.85826 
1 1 1    6   36   19 o   44.204   21.617   1.4705   8.2358  -3.3247   11.222   7.0681   12.125   43.288   21.802   49.020   24.382 -5.732883 32.70847 
1 1 1    6   36   20 o   58.090   26.517   15.041   8.8689   11.062   12.434   19.162   12.654   50.275   24.953   55.335   27.003 -5.060207 36.76698 
1 1 1    6   36   21 o   41.362   20.549  -0.7441   8.5116   0.6272   12.855  -1.8147   11.358   44.242   22.407   42.632   21.529 1.610287 31.07368 
1 1 1    6   36   22 o   51.482   24.425   11.877   8.7700   9.9828   12.339   13.812   12.468   47.327   23.702   49.287   24.549 -1.960018 34.12376 
1 1 1    6   36   23 o   38.749   19.413  -2.0866   8.3116 -11.7301   11.043   10.517   12.624   37.023   18.933   46.110   23.211 -9.086788 29.95328 
1 1 1    6   37    0 o   46.313   22.279   1.0433   7.8532   7.5456   10.587  -6.9118   11.710   53.813   25.882   44.891   22.566 8.921986 34.33757 
1 1 1    6   37    1 o   41.501   20.533  -4.8584   8.1714  -5.5138   11.479  -4.1852   11.635   45.349   22.733   46.189   23.114 -0.8400459 32.41970 
1 1 1    6   37    2 o   42.577   20.870  -2.7410   7.8096   2.8471   11.600  -7.3743   10.562   50.258   24.790   43.316   21.726 6.941883 32.96357 
1 1 1    6   37    3 o   50.030   23.595   4.3900   7.9584   2.3859   10.909   6.6702   11.636   49.528   24.355   52.806   25.796 -3.277988 35.47686 
1 1 1    6   37    4 o   48.760   23.237   3.3664   8.1175   4.4803   11.228   2.1466   11.749   50.968   24.991   49.582   24.547 1.386612 35.02997 
1 1 1    6   37    5 o  105.922   30.738   32.142   8.9291   26.460   12.852   37.444   12.415   69.096   31.683   87.264   35.340 -18.16792 47.46227 
1 1 1    6   37    6 o   47.740   22.946   2.7006   8.2886   2.2973   11.891   3.0817   11.560   49.248   24.437   49.616   24.525 -0.3673401 34.62083 
1 1 1    6   37    7 o   61.175   27.541   14.078   9.1736   7.2039   11.292   27.420   15.732   52.117   25.449   62.647   30.468 -10.52969 39.69844 
1 1 1    6   37    8 o   48.118   23.941   1.5755   11.726  -5.6600   16.983   8.1670   16.210   47.430   24.189   51.897   26.147 -4.466755 35.61946 
1 1 1    6   37    9 o   56.371   26.539   12.119   9.9883   16.500   16.666   9.6634   12.478   54.700   27.416   52.744   25.957 1.956173 37.75465 
1 1 1    6   37   10 o   38.603   19.665 -16.1994   10.970 -14.2700   15.212 -18.2900   15.835   43.375   22.184   42.779   21.934 0.5961456 31.19659 
1 1 1    6   37   11 o   48.633   24.168   4.5470   11.803   4.1580   17.789   4.8530   15.775   49.092   25.011   49.172   24.895 -0.7958984E-01 35.28891 
1 1 1    6   37   12 o   54.496   25.854   11.833   9.8238   7.7262   12.356   18.890   16.197   50.004   24.828   54.056   27.084 -4.052601 36.74179 
1 1 1    6   37   13 o   41.275   20.502  -2.6133   8.4551  -9.5749   11.843   4.6237   12.075   41.192   20.929   47.736   23.837 -6.544693 31.72139 
1 1 1    6   37   14 o   43.807   21.392   1.5872   7.9794  -4.6776   11.479   7.4452   11.100   42.527   21.496   48.934   24.158 -6.406296 32.33736 
1 1 1    6   37   15 o   40.781   20.092  -1.0145   7.5459   3.6808   10.308  -6.4371   11.077   45.895   22.769   41.051   20.792 4.843708 30.83380 
1 1 1    6   37   16 o   47.478   22.816   6.3657   8.1860   13.112   12.537   1.3517   10.808   50.495   25.061   44.123   22.110 6.371658 33.42015 
1 1 1    6   37   17 o   39.421   19.633  -2.3220   7.9677  -3.0689   12.073  -1.7455   10.605   42.077   21.353   41.864   21.099 0.2133026 30.01907 
1 1 1    6   37   18 o   41.330   20.341   1.2515   7.6646 -13.2544   11.834   11.732   10.059   37.871   19.384   49.560   24.161 -11.68871 30.97557 
1 1 1    6   37   19 o   61.533   26.486   17.478   7.6374   16.201   10.668   18.821   10.939   51.236   24.956   52.911   25.657 -1.674812 35.79280 
1 1 1    6   37   20 o   36.917   18.524  -3.1870   7.7155   4.0908   10.901 -10.4917   10.921   42.462   21.399   36.755   18.798 5.707146 28.48343 
1 1 1    6   37   21 o   40.610   20.208   3.0469   8.3669 -14.0955   11.839   20.150   11.826   35.758   18.371   49.224   24.415 -13.46566 30.55478 
1 1 1    6   38    0 o   38.906   19.781 -11.6882   10.706  -8.0720   15.063 -15.3800   15.220   43.469   22.220   41.653   21.367 1.816418 30.82626 
1 1 1    6   38    1 o   59.018   27.715   18.879   10.773   12.380   14.507   26.870   16.087   50.647   25.411   56.317   28.024 -5.670429 37.82945 
1 1 1    6   38    2 f   42.543   21.173  -1.2596   9.1996  -4.9087   11.956   4.0360   14.403   42.720   21.633   47.145   23.859 -4.424240 32.20649 
1 1 1    6   38    3 o   42.753   21.271  -0.8884   9.2521  -3.5296   11.428   4.1350   15.761   42.885   21.650   47.187   23.992 -4.302044 32.31615 
1 1 1    6   38    4 o   82.719   31.923   30.641   9.6902   35.391   12.663   23.930   15.053   71.021   32.129   55.513   27.536 15.50861 42.31486 
1 1 1    6   38    5 o   34.277   17.510 -17.7940   9.2252 -27.8441   11.709  -1.3450   14.980   34.947   17.961   44.988   22.923 -10.04123 29.12189 
1 1 1    6   38    6 o   59.144   27.302   17.884   9.7688   8.9840   12.052   34.930   16.680   48.888   24.315   58.276   28.921 -9.388424 37.78401 
1 1 1    6   38    7 o   46.684   22.593   5.3942   8.3767   13.522   11.327  -4.4156   12.444   51.959   25.397   42.503   21.581 9.456074 33.32773 
1 1 1    6   38    8 o   40.121   20.167  -4.1681   9.3517 -10.6846   11.462   8.8070   16.174   39.283   20.019   47.461   24.148 -8.177643 31.36719 
1 1 1    6   38    9 o   40.938   20.561  -2.7057   9.6206  -6.4790   12.426   2.9400   15.200   41.275   21.017   45.311   23.088 -4.035740 31.22120 
1 1 1    6   38   10 o   39.939   19.902  -1.9334   8.2335  -8.2506   11.717   4.2288   11.572   39.910   20.330   45.105   22.640 -5.194420 30.42831 
1 1 1    6   38   11 o   40.446   20.005  -0.2279   7.7377 -12.1135   10.866   12.000   11.021   37.549   19.167   49.395   24.326 -11.84622 30.96995 
1 1 1    6   38   12 o   34.285   17.401 -10.6442   8.0342 -20.2002   11.548  -1.6789   11.185   35.584   18.276   41.504   21.007 -5.919979 27.84418 
1 1 1    6   38   13 o   36.497   18.456  -7.0024   8.5194  -2.2845   12.056 -11.7087   12.041   41.240   20.970   38.123   19.516 3.116802 28.64666 
1 1 1    6   38   14 o   36.961   18.622  -4.8028   8.2221   1.3539   12.080 -10.1175   11.223   42.112   21.370   37.585   19.209 4.527584 28.73447 
1 1 1    6   38   15 o   46.174   22.309   8.3591   8.0824   2.7492   10.761   15.621   12.243   41.867   21.120   47.815   23.895 -5.948078 31.89120 
1 1 1    6   38   16 o   34.770   17.653  -7.7815   8.3150  -8.3126   11.605  -7.2212   11.919   37.481   19.185   37.997   19.449 -0.5161324 27.31950 
1 1 1    6   38   17 o   38.098   19.126  -0.3419   8.2743  -8.6024   11.988   7.1731   11.435   37.045   19.000   42.355   21.415 -5.310383 28.62866 
1 1 1    6   38   18 o   35.361   17.923  -4.3944   8.3356   7.0068   11.558 -16.7512   12.033   41.329   20.965   34.455   17.735 6.873951 27.46033 
1 1 1    6   38   19 o   40.421   20.175   5.9267   8.6052   10.470   11.737   0.6456   12.654   41.598   21.105   38.298   19.635 3.300167 28.82578 
1 1 1    6   39    0 o   41.620   20.590   2.5509   8.2076 -10.9699   12.091   14.104   11.177   37.904   19.416   48.584   24.033 -10.68009 30.89609 
1 1 1    6   39    1 o   65.846   27.980   22.119   8.3265   10.691   11.475   34.828   12.101   46.343   23.156   63.592   29.705 -17.24897 37.66394 
1 1 1    6   39    2 o   44.890   21.925   6.6221   8.3917   15.462   11.326  -4.1380   12.496   49.268   24.338   40.189   20.518 9.079117 31.83279 
1 1 1    6   39    3 o   53.824   25.208   15.877   8.8113   13.900   12.508   17.823   12.414   47.281   23.705   49.426   24.598 -2.144913 34.16160 
1 1 1    6   39    4 o   47.023   22.798   9.3754   8.6258   6.1784   12.424   12.351   11.985   43.715   22.127   46.674   23.372 -2.959156 32.18511 
1 1 1    6   39    5 o   51.738   24.351   13.687   8.3981   0.6490   11.819   26.984   11.936   41.323   20.987   56.006   27.071 -14.68312 34.25347 
1 1 1    6   39    6 o   36.109   18.168  -4.4735   7.6852 -15.7290   10.893   6.6799   10.844   35.145   18.032   43.765   21.960 -8.620502 28.41463 
1 1 1    6   39    7 o   35.663   18.072  -6.7264   8.4394   0.9549   12.221 -13.7293   11.669   41.145   20.940   36.265   18.610 4.880375 28.01464 
1 1 1    6   39    8 o   37.392   18.892  -3.5698   8.8052 -11.5592   12.500   4.2984   12.405   37.245   19.122   42.098   21.393 -4.853432 28.69354 
1 1 1    6   39    9 o   41.664   20.867   4.2351   9.5716   7.4090   12.214  -0.8159   15.408   42.950   21.763   40.633   20.881 2.317200 30.15973 
1 1 1    6   39   10 o   33.869   17.296 -10.9673   8.9411 -23.8202   10.600   20.720   16.644   32.084   16.521   45.163   23.107 -13.07833 28.40544 
1 1 1    6   39   11 o   46.337   22.518   11.235   8.5485   16.882   11.619   4.5709   12.622   46.673   23.318   41.009   20.909 5.663620 31.31922 
1 1 1    6   39   12 o   34.574   17.548  -5.8744   8.1706 -10.8319   12.012  -1.6055   11.147   35.917   18.456   38.202   19.493 -2.285542 26.84369 
1 1 1    6   39   13 o   34.556   17.606  -6.5180   8.8173 -37.6717   12.402   25.323   12.538   30.696   15.897   48.269   24.131 -17.57299 28.89676 
1 1 1    6   39   14 o   38.944   19.560   3.7408   8.7104  -7.5886   12.298   15.147   12.339   35.961   18.481   42.950   21.774 -6.989445 28.56022 
1 1 1    6   39   15 o   34.521   17.491  -2.8423   7.8875   2.3500   10.852  -8.6569   11.484   37.807   19.286   34.766   17.867 3.041748 26.29046 
1 1 1    6   39   16 o   49.082   23.419   18.274   8.2979   33.321   11.053  -1.1558   12.561   53.057   25.742   36.340   18.676 16.71659 31.80365 
1 1 1    6   40    0 o   38.814   19.423   3.3205   8.2140   1.8935   11.821   4.6528   11.422   38.574   19.715   39.489   20.112 -0.9148254 28.16284 
1 1 1    6   40    1 o   39.866   19.956   5.0475   8.7045   8.5912   12.571   1.7831   12.065   40.691   20.757   38.564   19.726 2.126564 28.63545 
1 1 1    6   40    2 o   40.299   20.101   5.7423   8.4871  -7.9926   12.146   18.847   11.864   35.877   18.440   45.115   22.683 -9.238251 29.23240 
1 1 1    6   40    3 o   60.057   26.892   25.294   8.6181   27.222   12.672   23.634   11.755   47.957   24.017   47.611   23.734 0.3460617 33.76606 
1 1 1    6   40    4 o   36.069   18.247  -1.2484   8.3718 -15.6970   11.489   15.112   12.225   33.509   17.252   42.861   21.723 -9.351921 27.74017 
1 1 1    6   40    5 o   44.217   21.734   11.989   8.6565   5.7723   11.861   19.076   12.663   39.381   20.095   43.848   22.211 -4.466976 29.95245 
1 1 1    6   40    6 f   39.632   19.851   5.7825   8.6750   0.3814   12.351   11.041   12.187   37.558   19.265   40.856   20.804 -3.298767 28.35416 
1 1 1    6   40    7 o   34.223   17.411  -4.1621   8.3933 -15.9685   11.655   8.5565   12.097   33.121   17.067   39.727   20.274 -6.606506 26.50139 
1 1 1    6   40    8 o   33.717   17.163  -4.5414   8.2432  -1.9457   11.667  -7.1287   11.648   36.245   18.601   34.900   17.936 1.344578 25.83946 
1 1 1    6   40    9 f   43.972   21.876   16.248   9.7804   17.471   12.262   14.110   16.214   41.901   21.290   39.326   20.259 2.574627 29.38850 
1 1 1    6   40   10 f   33.782   17.265  -4.3167   9.0613 -12.8430   10.653   17.990   17.231   32.362   16.659   39.234   20.240 -6.871284 26.21447 
1 1 1    6   40   11 o   35.911   18.307   1.9322   9.6555  -2.4619   11.719   11.220   17.038   34.988   17.982   37.662   19.455 -2.673595 26.49247 
1 1 1    6   40   12 o   33.883   17.238  -0.9605   8.2250 -18.2702   12.131   13.767   11.190   31.529   16.292   39.362   20.033 -7.832972 25.82138 
1 1 1    6   41    0 o   31.995   16.464  -7.6208   10.257   3.8260   18.748 -12.5106   12.253   35.116   18.222   31.925   16.492 3.191378 24.57698 
1 1 1    6   41    1 o   38.877   19.752   14.387   10.542   36.860   19.303   4.8361   12.585   38.670   20.020   35.373   18.204 3.296463 27.05854 
1 1 1    6   41    2 o   36.761   18.732   8.3650   10.008 -16.7300   17.682   20.195   12.140   32.964   17.118   39.568   20.203 -6.603634 26.47934 
1 1 1    6   41    3 o   31.870   16.355  -5.1948   9.0038   0.1907   14.824  -8.3432   11.334   34.416   17.791   32.188   16.597 2.228203 24.33076 
1 1 1    6   41    4 o   32.223   16.535  -3.9982   9.1943 -10.6900   15.325  -0.2347   11.492   32.883   17.048   33.878   17.432 -0.9956703 24.38307 
1 1 1    6   41    5 o   32.141   16.510  -4.2181   9.5028   11.590   17.997 -10.3298   11.190   35.419   18.366   31.457   16.232 3.961445 24.51065 
1 1 1    6   41    6 o   37.349   19.033   12.554   10.344   33.510   19.091   3.8458   12.306   37.349   19.354   34.405   17.720 2.943256 26.24039 
1 1 1    6   41    7 o   38.163   19.446   16.713   10.790   22.890   19.067   13.803   13.088   35.836   18.590   36.079   18.567 -0.2435722 26.27395 
1 1 1    7    0    0 o  305.117   10.891  121.177   8.5825  121.177   8.5825  121.177   8.5825  305.117   10.891  305.117   10.891 -0.000000 0.000000 
1 1 1    7    0    1 o  594.473   12.374  459.013   19.036  459.013   19.036  459.013   19.036  594.473   12.374  594.473   12.374 -0.000000 0.000000 
1 1 1    7    0    2 o  632.219   12.661  519.195   20.715  519.195   20.715  519.195   20.715  632.219   12.661  632.219   12.661 -0.000000 0.000000 
1 1 1    7    0    3 o  148.952   11.139   29.255   4.2425   29.255   4.2425   29.255   4.2425  148.952   11.139  148.952   11.139 -0.000000 0.000000 
1 1 1    7    0    4 o  267.066   10.574   92.940   7.2889   92.940   7.2889   92.940   7.2889  267.066   10.574  267.066   10.574 -0.000000 0.000000 
1 1 1    7    0    5 o  460.075   11.469  275.152   13.649  275.152   13.649  275.152   13.649  460.075   11.469  460.075   11.469 -0.000000 0.000000 
1 1 1    7    0    6 o  187.603   11.100   46.142   5.3509   46.142   5.3509   46.142   5.3509  187.603   11.100  187.603   11.100 -0.000000 0.000000 
1 1 1    7    0    7 o  216.020   10.755   60.992   5.9842   60.992   5.9842   60.992   5.9842  216.020   10.755  216.020   10.755 -0.000000 0.000000 
1 1 1    7    0    8 o  350.096   11.049  159.504   9.9974  159.504   9.9974  159.504   9.9974  350.096   11.049  350.096   11.049 -0.000000 0.000000 
1 1 1    7    0    9 o  340.334   11.145  150.748   9.8008  150.748   9.8008  150.748   9.8008  340.334   11.145  340.334   11.145 -0.000000 0.000000 
1 1 1    7    0   10 o  157.073   12.244   32.586   4.9120   32.586   4.9120   32.586   4.9120  157.073   12.244  157.073   12.244 -0.000000 0.000000 
1 1 1    7    0   11 o  111.545   15.489   17.055   4.2288   17.055   4.2288   17.055   4.2288  111.545   15.489  111.545   15.489 0.000000 0.000000 
1 1 1    7    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   13 o   31.550   20.340  -0.0386   3.8495  -0.0386   3.8495  -0.0386   3.8495   31.550   20.340   31.550   20.340 -0.000000 0.000000 
1 1 1    7    0   14 o  247.999   12.293   80.310   7.8530   80.310   7.8530   80.310   7.8530  247.999   12.293  247.999   12.293 -0.000000 0.000000 
1 1 1    7    0   15 o  723.325   13.892  679.070   26.007  679.070   26.007  679.070   26.007  723.325   13.892  723.325   13.892 -0.000000 0.000000 
1 1 1    7    0   16 o  182.907   14.469   44.184   6.7566   44.184   6.7566   44.184   6.7566  182.907   14.469  182.907   14.469 -0.000000 0.000000 
1 1 1    7    0   17 f  230.611   15.768   69.930   9.3182   69.930   9.3182   69.930   9.3182  230.611   15.768  230.611   15.768 -0.000000 0.000000 
1 1 1    7    0   18 o  197.126   15.498   51.323   7.8008   51.323   7.8008   51.323   7.8008  197.126   15.498  197.126   15.498 -0.000000 0.000000 
1 1 1    7    0   19 o   20.478   14.970 -12.1243   4.9076 -12.1243   4.9076 -12.1243   4.9076   20.478   14.970   20.478   14.970 -0.000000 0.000000 
1 1 1    7    0   20 f  205.074   15.365   55.469   8.0564   55.469   8.0564   55.469   8.0564  205.074   15.365  205.074   15.365 -0.000000 0.000000 
1 1 1    7    0   21 o  742.089   14.477  715.245   27.805  715.245   27.805  715.245   27.805  742.089   14.477  742.089   14.477 -0.000000 0.000000 
1 1 1    7    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   23 o  1127.39   18.024  1652.98   52.604  1652.98   52.604  1652.98   52.604  1127.39   18.024  1127.39   18.024 -0.000000 0.000000 
1 1 1    7    0   24 o  1184.26   18.685  1825.36   57.287  1825.36   57.287  1825.36   57.287  1184.26   18.685  1184.26   18.685 -0.000000 0.000000 
1 1 1    7    0   25 o  211.963   16.734   59.493   9.0560   59.493   9.0560   59.493   9.0560  211.963   16.734  211.963   16.734 -0.000000 0.000000 
1 1 1    7    0   26 o  292.509   14.855  112.077   11.189  112.077   11.189  112.077   11.189  292.509   14.855  292.509   14.855 -0.000000 0.000000 
1 1 1    7    0   27 o  639.965   14.188  533.406   23.494  533.406   23.494  533.406   23.494  639.965   14.188  639.965   14.188 -0.000000 0.000000 
1 1 1    7    0   28 f  185.714   19.116   46.470   8.9727   46.470   8.9727   46.470   8.9727  185.714   19.116  185.714   19.116 -0.000000 0.000000 
1 1 1    7    0   29 o   69.209   34.518   9.4640   7.5270   9.4640   7.5270   9.4640   7.5270   69.209   34.518   69.209   34.518 0.000000 0.000000 
1 1 1    7    0   30 o   60.269   33.116   6.9161   7.4567   6.9161   7.4567   6.9161   7.4567   60.269   33.116   60.269   33.116 -0.000000 0.000000 
1 1 1    7    0   31 o  449.624   14.117  264.914   16.405  264.914   16.405  264.914   16.405  449.624   14.117  449.624   14.117 -0.000000 0.000000 
1 1 1    7    0   32 o  382.350   21.602  195.600   21.238  195.600   21.238  195.600   21.238  382.350   21.602  382.350   21.602 -0.000000 0.000000 
1 1 1    7    0   33 o   76.049   35.693   11.675   7.8884   11.675   7.8884   11.675   7.8884   76.049   35.693   76.049   35.693 -0.000000 0.000000 
1 1 1    7    0   34 o  543.077   14.477  388.361   20.333  388.361   20.333  388.361   20.333  543.077   14.477  543.077   14.477 -0.000000 0.000000 
1 1 1    7    0   35 o   31.828   22.541  -9.0086   7.6952  -9.0086   7.6952  -9.0086   7.6952   31.828   22.541   31.828   22.541 -0.000000 0.000000 
1 1 1    7    0   36 o   58.012   33.253   6.6850   7.9269   6.6850   7.9269   6.6850   7.9269   58.012   33.253   58.012   33.253 0.000000 0.000000 
1 1 1    7    0   37 o  164.052   24.448   39.158   9.7097   39.158   9.7097   39.158   9.7097  164.052   24.448  164.052   24.448 -0.000000 0.000000 
1 1 1    7    0   38 o  159.442   24.700   37.430   9.4721   37.430   9.4721   37.430   9.4721  159.442   24.700  159.442   24.700 -0.000000 0.000000 
1 1 1    7    0   39 o   82.816   37.964   15.135   8.8975   15.135   8.8975   15.135   8.8975   82.816   37.964   82.816   37.964 -0.000000 0.000000 
1 1 1    7    0   40 o   49.974   33.471   0.0207   12.064   0.0207   12.064   0.0207   12.064   49.974   33.471   49.974   33.471 0.000000 0.000000 
1 1 1    7    0   41 o  236.490   32.269   89.360   18.725   89.360   18.725   89.360   18.725  236.490   32.269  236.490   32.269 -0.000000 0.000000 
1 1 1    7    0   42 o   67.503   37.937   12.212   10.047   12.212   10.047   12.212   10.047   67.503   37.937   67.503   37.937 0.000000 0.000000 
1 1 1    7    0   43 o   49.817   32.787   3.6470   10.760   3.6470   10.760   3.6470   10.760   49.817   32.787   49.817   32.787 -0.000000 0.000000 
1 1 1    7    0   44 o  232.589   22.671   82.182   13.361   82.182   13.361   82.182   13.361  232.589   22.671  232.589   22.671 -0.000000 0.000000 
1 1 1    7    0   45 o  112.691   38.306   27.712   10.022   27.712   10.022   27.712   10.022  112.691   38.306  112.691   38.306 0.000000 0.000000 
1 1 1    7    0   46 o   78.930   42.017   21.476   11.638   21.476   11.638   21.476   11.638   78.930   42.017   78.930   42.017 -0.000000 0.000000 
1 1 1    7    0   47 o   70.320   40.576   20.030   11.925   20.030   11.925   20.030   11.925   70.320   40.576   70.320   40.576 -0.000000 0.000000 
1 1 1    7    1    0 o  309.423   7.6453  124.142   6.1277  130.109   8.7204  118.321   8.6124  316.604   10.633  301.897   11.013 14.70724 15.30874 
1 1 1    7    1    1 o  1023.73   11.569  1360.95   30.677  1390.86   44.148  1333.02   42.658  1033.50   16.491  1011.85   16.275 21.64557 23.16994 
1 1 1    7    1    2 f  668.438   13.073  580.769   22.635  618.700   33.167  547.700   30.969  688.658   18.593  647.976   18.451 40.68213 26.19419 
1 1 1    7    1    3 o  704.245   13.368  644.924   24.386  648.400   34.618  641.500   34.357  704.715   18.964  700.968   18.922 3.747192 26.78990 
1 1 1    7    1    4 o  733.965   9.5815  699.257   18.216  706.406   21.135  678.600   35.926  737.434   11.064  720.618   19.246 16.81653 22.20000 
1 1 1    7    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    6 o  109.444   8.6012   15.641   2.4187   17.690   4.5456   14.831   2.8567  115.455   15.599  106.334   10.509 9.121193 18.80860 
1 1 1    7    1    7 o  142.298   8.2667   26.364   3.0339   23.070   5.8181   27.595   3.5557  131.774   17.476  145.474   9.4879 -13.69937 19.88567 
1 1 1    7    1    8 o  258.149   8.7993   86.492   5.8839   86.310   10.180   86.583   7.2103  256.872   15.370  258.149   10.783 -1.276855 18.77549 
1 1 1    7    1    9 o  347.174   7.8618  156.341   7.0700  161.638   10.102  151.256   9.8979  352.745   11.056  341.216   11.199 11.52924 15.73678 
1 1 1    7    1   10 o  259.085   7.8895   87.048   5.2947   86.278   7.5221   87.804   7.4540  257.766   11.266  260.047   11.066 -2.281464 15.79157 
1 1 1    7    1   11 o  378.172   8.0917  185.430   7.9265  176.327   11.099  194.902   11.323  368.557   11.626  387.510   11.281 -18.95230 16.19974 
1 1 1    7    1   12 o  364.726   16.183  172.900   15.288   0.0000   0.0000  172.900   15.288  ?   ?   364.726   16.183 0.000000 16.18251 
1 1 1    7    1   13 o  257.134   9.7905   85.725   6.5210   83.660   7.8478   90.330   11.720  253.953   11.930  263.091   17.295 -9.137711 21.01035 
1 1 1    7    1   14 o  262.114   8.6388   89.047   5.8654   92.824   8.3491   85.366   8.2416  267.523   12.048  256.540   12.402 10.98285 17.29120 
1 1 1    7    1   15 o  926.537   11.090  1113.10   26.616  1146.81   38.497  1082.23   36.839  939.917   15.812  913.102   15.575 26.81525 22.19479 
1 1 1    7    1   16 o  456.000   8.8634  269.497   10.469  268.811   14.786  270.188   14.826  455.260   12.538  456.424   12.540 -1.164093 17.73302 
1 1 1    7    1   17 o  679.778   9.9325  599.020   17.489  590.562   24.572  607.706   24.899  674.660   14.061  684.384   14.045 -9.724182 19.87385 
1 1 1    7    1   18 o  357.707   9.1513  165.853   8.4793  163.498   11.936  168.253   12.048  355.015   12.980  360.143   12.915 -5.128448 18.31021 
1 1 1    7    1   19 o   76.084   20.742   7.7726   4.2002   12.895   5.8707   2.4010   6.0119   97.564   23.508   61.852   24.752 35.71180 34.13600 
1 1 1    7    1   20 o  387.895   9.1308  195.057   9.1743  195.227   13.018  194.888   12.931  387.877   12.957  387.545   12.882 0.3322754 18.27062 
1 1 1    7    1   21 o  276.985   9.9878   99.490   7.1660  100.990   10.101   97.970   10.168  278.542   14.045  274.304   14.360 4.237732 20.08677 
1 1 1    7    1   22 o  886.099   22.260  1024.00   51.093   0.0000   0.0000  1024.00   51.093  ?   ?   886.099   22.260 0.000000 22.26011 
1 1 1    7    1   23 o  102.169   20.666   14.096   5.2813   12.374   7.5284   15.764   7.4107   96.321   28.303  107.623   26.709 -11.30210 38.91558 
1 1 1    7    1   24 o  518.518   9.6323  348.794   12.937  350.606   18.386  347.016   18.208  519.428   13.665  516.770   13.602 2.658508 19.28072 
1 1 1    7    1   25 o  561.534   9.7050  409.180   14.116  404.337   19.883  414.100   20.045  557.655   13.765  564.356   13.712 -6.700684 19.42899 
1 1 1    7    1   26 o  455.507   9.6442  269.332   11.379  264.716   16.058  273.987   16.127  451.065   13.744  458.923   13.566 -7.858368 19.31177 
1 1 1    7    1   27 o  111.373   19.943   16.726   5.5419   19.217   7.9715   14.397   7.7100  118.337   26.647  102.628   28.155 15.70943 38.76519 
1 1 1    7    1   28 o  411.274   9.6996  219.797   10.333  222.831   14.734  216.859   14.496  413.412   13.759  407.842   13.722 5.569641 19.43158 
1 1 1    7    1   29 o  235.744   11.226   72.364   6.8549   68.844   9.7594   75.792   9.6306  228.638   16.592  240.186   15.563 -11.54758 22.74852 
1 1 1    7    1   30 o  131.721   17.189   23.171   5.7251   31.282   8.2661   15.693   7.9369  152.252   21.563  106.096   28.342 46.15576 35.61243 
1 1 1    7    1   31 o   72.748   25.932   6.2440   6.1627   0.2839   7.7949   16.180   10.065   63.011   26.930  107.819   32.973 -44.80830 42.57272 
1 1 1    7    1   32 o  235.515   18.674   73.877   11.299   87.870   16.998   62.800   15.124  253.736   26.241  213.322   28.050 40.41394 38.41068 
1 1 1    7    1   33 f  239.723   12.129   75.414   7.5069   89.781   10.812   62.040   10.431  260.363   16.110  215.316   18.894 45.04671 24.82971 
1 1 1    7    1   34 o   99.539   23.854   13.946   6.0702   14.024   8.6212   13.868   8.5483   99.564   30.529   99.058   30.404 0.5055618 43.08575 
1 1 1    7    1   35 o  177.837   15.281   42.171   6.9706   47.317   9.8358   36.978   9.8803  186.301   20.733  162.987   24.132 23.31415 31.81565 
1 1 1    7    1   36 o  148.083   16.896   29.640   6.3651   23.520   9.1168   35.459   8.8906  127.050   28.414  159.957   22.043 -32.90756 35.96200 
1 1 1    7    1   37 o  174.714   14.562   40.839   6.5300   44.623   9.8708   37.895   8.7077  179.348   21.688  165.568   20.760 13.77988 30.02268 
1 1 1    7    1   38 o  178.096   15.341   42.696   7.0083   47.816   10.138   38.008   9.6994  185.305   21.521  163.882   23.523 21.42253 31.88251 
1 1 1    7    1   39 o  256.430   12.743   87.261   8.4641   85.033   12.040   89.437   11.901  249.050   18.803  255.986   18.064 -6.935226 26.07383 
1 1 1    7    1   40 o  300.547   13.710  120.694   10.674  115.843   12.985  130.800   18.742  291.396   17.280  302.637   24.108 -11.24170 29.66140 
1 1 1    7    1   41 o  133.342   25.814   26.524   8.5938   18.268   10.382   44.490   15.315  106.171   33.650  163.236   37.066 -57.06518 50.06209 
1 1 1    7    1   42 o   65.381   26.603   4.1202   7.0736   1.1069   10.092   7.0301   9.9174   67.349   29.687   77.577   31.525 -10.22729 43.30310 
1 1 1    7    1   43 o  186.528   17.109   48.551   8.1744   48.861   11.446   48.228   11.678  179.954   25.251  177.936   26.114 2.017914 36.32558 
1 1 1    7    1   44 o   76.399   28.669   8.5516   7.6801   5.4228   11.195   11.334   10.556   74.782   32.125   85.180   33.194 -10.39851 46.19351 
1 1 1    7    1   45 o  126.380   26.509   25.413   8.4010   20.494   11.943   30.231   11.819  104.163   36.185  129.369   34.599 -25.20615 50.06375 
1 1 1    7    1   46 o  222.718   17.001   70.484   9.7337   71.744   13.841   69.250   13.691  213.506   25.534  209.393   25.786 4.112991 36.28962 
1 1 1    7    1   47 o   97.951   29.076   16.946   7.9117   11.170   11.573   22.014   10.841   80.862   33.578  105.477   34.473 -24.61486 48.12358 
1 1 1    7    2    0 o  719.647   9.5153  672.002   17.737  671.323   25.076  672.682   25.093  718.610   13.471  719.338   13.467 -0.7274780 19.04838 
1 1 1    7    2    1 o  763.749   13.952  758.593   27.602  748.800   38.731  768.700   39.347  757.245   19.746  767.225   19.799 -9.979309 27.96218 
1 1 1    7    2    2 o  765.264   13.968  761.739   27.689  781.800   39.843  743.000   38.507  773.578   19.884  754.194   19.711 19.38391 27.99785 
1 1 1    7    2    3 o  280.192   11.214  101.979   8.1387   97.720   11.405  106.400   11.618  273.374   16.177  285.362   15.779 -11.98721 22.59841 
1 1 1    7    2    4 o  295.819   11.292  113.703   8.6523  108.300   12.130  119.300   12.345  287.743   16.342  302.137   15.829 -14.39343 22.75126 
1 1 1    7    2    5 o  224.893   7.7109   65.610   4.4919   65.036   6.3913   66.170   6.3146  223.721   11.029  225.677   10.802 -1.956589 15.43761 
1 1 1    7    2    6 o  450.474   8.1113  263.308   9.4648  255.200   18.552  266.162   11.005  442.264   16.194  452.767   9.3834 -10.50287 18.71593 
1 1 1    7    2    7 o  200.124   7.9888   51.964   4.1412   57.510   8.1905   50.060   4.8000  209.498   15.197  196.352   9.4374 13.14606 17.88854 
1 1 1    7    2    8 o  183.228   9.2427   43.691   4.3726   44.850   7.8249   43.165   5.2726  184.691   16.531  181.907   11.245 2.783630 19.99310 
1 1 1    7    2    9 o  313.377   8.0339  127.388   6.5215  136.100   13.025  124.473   7.5338  323.229   15.557  309.684   9.3918 13.54495 18.17175 
1 1 1    7    2   10 o  236.171   8.0275   72.331   4.9109   72.717   6.9868   71.954   6.9040  236.648   11.398  235.407   11.322 1.240967 16.06564 
1 1 1    7    2   11 o  135.353   13.721   24.043   4.7441   26.000   7.1312   22.490   6.3541  139.790   20.287  129.963   19.475 9.827774 28.12142 
1 1 1    7    2   12 o  316.536   8.2628  129.883   6.7749  120.511   9.5817  139.254   9.5806  304.744   12.138  327.628   11.289 -22.88397 16.57657 
1 1 1    7    2   13 o  589.502   10.507  450.627   16.044  458.085   19.856  436.600   27.232  594.178   12.901  579.560   18.139 14.61725 22.25921 
1 1 1    7    2   14 o  588.409   9.0971  448.775   13.865  438.599   19.454  459.281   19.767  581.461   12.917  595.019   12.825 -13.55817 18.20194 
1 1 1    7    2   15 o  782.763   10.196  794.315   20.672  785.252   29.072  803.584   29.401  777.916   14.428  786.945   14.423 -9.028564 20.40078 
1 1 1    7    2   16 o  440.589   8.8849  251.590   10.140  253.458   14.396  249.751   14.284  442.066   12.572  438.821   12.567 3.244659 17.77599 
1 1 1    7    2   17 o  300.554   10.020  117.101   7.8006  112.450   10.752  122.271   11.335  294.393   14.099  306.973   14.255 -12.58041 20.04989 
1 1 1    7    2   18 o  562.093   9.4071  409.552   13.697  404.703   19.291  414.480   19.450  558.515   13.334  565.224   13.285 -6.709595 18.82237 
1 1 1    7    2   19 o  171.392   11.847   38.283   5.2275   41.895   7.4846   34.842   7.3042  178.865   16.335  162.812   17.600 16.05235 24.01192 
1 1 1    7    2   20 o  375.899   9.3080  183.188   9.0631  183.684   12.893  182.704   12.742  376.215   13.230  375.217   13.111 0.9981995 18.62609 
1 1 1    7    2   21 o  413.103   13.369  221.528   14.306  221.528   14.306   0.0000   0.0000  413.103   13.369  ?   ?  0.000000 13.36901 
1 1 1    7    2   22 o  184.054   18.771   44.546   8.8241   0.0000   0.0000   44.546   8.8241  ?   ?   184.054   18.771 0.000000 18.77138 
1 1 1    7    2   23 o  254.154   11.152   83.826   7.3417   80.739   10.291   87.026   10.477  248.653   16.064  258.230   15.738 -9.577499 22.48847 
1 1 1    7    2   24 o  339.976   10.121  149.977   8.9132  145.578   12.636  154.333   12.575  334.620   14.578  344.578   14.089 -9.958649 20.27327 
1 1 1    7    2   25 o  228.472   11.624   67.971   6.8564   62.273   9.8741   73.278   9.5281  217.865   17.648  236.750   15.625 -18.88528 23.57119 
1 1 1    7    2   26 o  261.917   10.994   89.112   7.4586   83.561   10.571   94.615   10.525  252.674   16.237  269.103   15.161 -16.42896 22.21514 
1 1 1    7    2   27 o  264.488   10.918   90.919   7.4802   83.406   10.613   98.334   10.544  252.267   16.329  274.253   14.899 -21.98611 22.10483 
1 1 1    7    2   28 o  243.141   11.530   76.931   7.2615   71.296   10.399   82.295   10.145  232.740   17.374  250.486   15.715 -17.74565 23.42659 
1 1 1    7    2   29 o   33.537   16.476 -10.0803   4.9564  -9.1067   7.1442 -10.9838   6.8821   45.703   21.786   42.361   20.495 3.342445 29.91104 
1 1 1    7    2   30 o  130.864   17.509   22.904   5.7862   17.383   8.2776   28.180   8.0915  111.479   28.543  144.111   22.404 -32.63223 36.28520 
1 1 1    7    2   31 o  241.713   16.790   77.257   10.447   72.010   16.154   81.030   13.698  229.286   27.764  245.904   21.729 -16.61757 35.25581 
1 1 1    7    2   32 o  253.199   16.831   84.914   10.976   78.020   14.800   93.340   16.363  239.855   24.150  262.446   24.347 -22.59027 34.29255 
1 1 1    7    2   33 o  274.159   11.401   98.282   8.0962  111.024   11.708   86.607   11.208  289.772   15.657  255.335   17.043 34.43697 23.14320 
1 1 1    7    2   34 o  183.727   14.399   44.743   6.7978   48.912   9.7801   40.846   9.4552  190.134   20.166  173.043   21.562 17.09076 29.52257 
1 1 1    7    2   35 o  288.924   11.373  109.485   8.5114  118.875   12.139  100.404   11.938  298.974   15.730  274.148   16.893 24.82639 23.08239 
1 1 1    7    2   36 o  113.757   21.165   18.085   6.0071   17.217   8.8371   18.831   8.1903  108.038   30.333  113.588   28.012 -5.549416 41.28910 
1 1 1    7    2   37 o  183.257   14.992   45.001   7.0544   41.969   10.232   47.747   9.7394  172.869   23.455  186.163   20.539 -13.29425 31.17713 
1 1 1    7    2   38 o  107.390   24.093   16.682   6.5371   23.774   9.7277   10.842   8.8275  125.519   30.271   88.153   31.077 37.36610 43.38317 
1 1 1    7    2   39 o  178.489   16.729   43.349   7.6441   35.707   10.951   50.613   10.675  155.179   28.285  189.712   22.140 -34.53340 35.92012 
1 1 1    7    2   40 o  190.261   31.594   55.550   15.024   0.0000   0.0000   55.550   15.024  ?   ?   190.261   31.594 0.000000 31.59382 
1 1 1    7    2   41 o   34.625   17.480 -22.7600   7.4523 -37.3210   9.2863   3.5820   12.490  ?   ?    77.362   33.583 0.000000 33.58288 
1 1 1    7    2   42 o  116.890   25.907   20.845   7.6380   30.802   10.974   11.491   10.637  138.250   31.365   87.851   33.561 50.39969 45.93576 
1 1 1    7    2   43 o   59.595   25.735   1.5137   7.2584   5.3848   10.595  -1.9103   9.9641   74.573   31.618   61.848   28.183 12.72504 42.35574 
1 1 1    7    2   44 o  179.199   17.719   45.399   8.1169   39.214   10.764   53.550   12.358  157.929   27.301  185.920   26.403 -27.99101 37.97965 
1 1 1    7    2   45 o   67.225   27.432   5.2474   7.5487   5.3583   10.733   5.1389   10.619   72.937   31.396   72.393   31.195 0.5433273 44.25895 
1 1 1    7    2   46 o  131.705   25.319   27.554   8.3239   28.524   12.421   26.764   11.215  120.565   36.578  119.557   34.378 1.007645 50.19747 
1 1 1    7    2   47 o   47.552   22.785  -7.0073   8.0351  -1.8015   11.452 -12.0546   11.277   62.188   28.998   52.336   25.529 9.851131 38.63406 
1 1 1    7    3    0 o  397.125   9.3555  204.658   9.6238  163.000   16.212  227.326   11.959  353.070   17.784  418.380   11.035 -65.31046 20.92897 
1 1 1    7    3    1 o  881.531   12.287  1009.94   28.058  990.900   48.154  1019.73   34.523  870.149   21.365  885.025   15.059 -14.87628 26.13854 
1 1 1    7    3    2 o  297.985   11.388  115.358   8.7903  148.400   13.109   88.360   11.849  337.596   14.990  259.636   17.725 77.96017 23.21358 
1 1 1    7    3    3 o  499.924   12.123  324.890   15.698  336.100   22.523  314.300   21.892  507.542   17.132  490.787   17.220 16.75455 24.29088 
1 1 1    7    3    4 o  449.009   16.872  263.100   19.624   0.0000   0.0000  263.100   19.624  ?   ?   449.009   16.872 0.000000 16.87241 
1 1 1    7    3    5 o  716.145   9.5589  665.935   17.732  664.123   25.071  667.748   25.083  714.251   13.551  716.206   13.520 -1.954773 19.14242 
1 1 1    7    3    6 o  489.528   9.6392  311.192   12.223  312.300   20.971  310.622   15.042  489.137   16.551  488.743   11.881 0.3941650 20.37430 
1 1 1    7    3    7 o  480.429   8.3433  299.522   10.383  312.000   20.886  295.426   11.966  488.948   16.491  476.971   9.6855 11.97678 19.12458 
1 1 1    7    3    8 o   60.659   14.749   4.9838   2.2951   5.7290   4.8261   4.7660   2.6089   68.301   23.022   59.543   16.395 8.757740 28.26334 
1 1 1    7    3    9 o  375.474   8.1792  182.867   7.9550  194.500   16.096  179.107   9.1507  386.401   16.082  371.496   9.5094 14.90533 18.68272 
1 1 1    7    3   10 o  265.213   11.406   91.320   7.8355   86.530   11.201   95.910   10.965  257.244   16.904  271.056   15.684 -13.81210 23.05933 
1 1 1    7    3   11 o  194.964   10.150   49.441   5.1080   56.340   9.1122   46.280   6.1683  207.407   17.114  188.372   12.716 19.03412 21.32079 
1 1 1    7    3   12 o  450.791   8.4786  263.428   9.9003  270.388   14.285  256.994   13.734  456.496   12.080  445.057   11.913 11.43915 16.96648 
1 1 1    7    3   13 o  290.810   9.9704  109.647   7.5105  116.961   9.4017   96.750   12.486  300.277   12.087  272.282   17.801 27.99542 21.51677 
1 1 1    7    3   14 o  386.943   8.5541  194.052   8.5738  197.935   12.365  190.456   11.898  390.652   12.220  383.211   11.987 7.441406 17.11739 
1 1 1    7    3   15 o  735.631   9.9592  701.507   18.977  714.507   27.257  689.276   26.438  742.072   14.180  728.868   14.003 13.20361 19.92899 
1 1 1    7    3   16 o  201.482   10.799   52.783   5.6155   54.570   8.1750   51.186   7.7270  204.455   15.553  198.016   15.180 6.438583 21.73317 
1 1 1    7    3   17 o  459.009   9.4168  273.098   11.196  266.360   15.973  279.607   15.699  453.110   13.609  464.271   13.054 -11.16180 18.85770 
1 1 1    7    3   18 o  630.386   9.6598  515.150   15.773  519.679   22.550  510.812   22.071  632.850   13.756  627.443   13.580 5.406860 19.33005 
1 1 1    7    3   19 o  373.977   9.1923  181.303   8.9047  182.323   12.818  180.352   12.380  374.846   13.201  372.835   12.819 2.011414 18.40085 
1 1 1    7    3   20 o  493.656   9.3681  315.951   11.979  317.669   17.062  314.280   16.823  494.735   13.314  492.098   13.198 2.637299 18.74662 
1 1 1    7    3   21 o  211.527   17.270   58.559   9.3801   52.090   14.354   63.380   12.392  197.452   28.923  219.427   22.103 -21.97437 36.40167 
1 1 1    7    3   22 o  570.119   11.098  421.727   16.390  400.100   27.365  433.824   20.466  554.341   19.058  577.970   13.671 -23.62897 23.45381 
1 1 1    7    3   23 o  350.218   10.123  159.121   9.1834  157.634   12.906  160.645   13.070  348.287   14.306  351.593   14.351 -3.306335 20.26335 
1 1 1    7    3   24 o  683.875   10.196  606.896   18.062  614.062   25.900  600.111   25.201  687.214   14.550  679.404   14.320 7.809692 20.41451 
1 1 1    7    3   25 o  338.171   10.157  148.441   8.8973  141.103   12.780  155.342   12.395  329.279   14.983  345.615   13.845 -16.33606 20.40050 
1 1 1    7    3   26 o  660.515   10.111  566.509   17.299  579.366   24.906  554.526   24.045  667.082   14.414  652.669   14.222 14.41211 20.24918 
1 1 1    7    3   27 o  255.124   11.343   84.628   7.4959   84.540   10.847   84.708   10.371  253.903   16.583  254.298   15.823 -0.3943481 22.92080 
1 1 1    7    3   28 o  342.791   10.201  152.773   9.0580  154.677   13.162  151.059   12.485  344.200   14.763  340.259   14.165 3.940826 20.45933 
1 1 1    7    3   29 o  111.448   20.642   16.886   5.7394   21.023   8.3815   13.233   7.8756  123.171   27.014   98.318   28.965 24.85374 39.60687 
1 1 1    7    3   30 o  265.315   11.379   91.783   7.8204   94.330   11.268   89.415   10.862  267.546   16.338  260.503   16.177 7.043549 22.99202 
1 1 1    7    3   31 o  129.504   28.033   23.518   9.1311   6.2200   14.847   34.040   11.580   93.786   38.395  155.836   29.773 -62.04932 48.58584 
1 1 1    7    3   32 o  298.270   15.245  117.290   11.739  116.200   15.888  118.600   17.422  294.591   20.958  296.729   22.842 -2.138550 30.99954 
1 1 1    7    3   33 o   81.060   24.107   9.0362   5.4348   13.412   7.4489   4.0551   7.9471   97.585   28.005   71.250   28.478 26.33515 39.94041 
1 1 1    7    3   34 o  169.681   15.383   38.342   6.6877   40.309   9.6205   36.502   9.3031  171.583   22.164  162.966   22.651 8.616623 31.69059 
1 1 1    7    3   35 o  234.916   12.672   72.820   7.6827   72.889   10.958   72.754   10.774  232.709   18.327  232.636   18.020 0.7313538E-01 25.70251 
1 1 1    7    3   36 o  215.552   13.239   61.597   7.3563   64.996   10.845   58.701   10.012  218.644   19.348  207.995   18.786 10.64900 26.96748 
1 1 1    7    3   37 o   61.219   24.783   2.8703   6.1031   5.7346   8.8498   0.2728   8.4278   75.870   30.139   63.530   27.582 12.33947 40.85474 
1 1 1    7    3   38 o  209.052   14.153   58.444   7.6187   65.543   11.342   52.609   10.284  217.907   20.330  194.844   20.693 23.06352 29.00877 
1 1 1    7    3   39 o  135.934   21.381   26.102   7.2799   8.7893   10.488   42.199   10.113   84.705   33.065  172.272   23.257 -87.56709 40.42513 
1 1 1    7    3   40 o  184.250   22.595   48.345   10.558   38.110   17.177   54.560   13.385  146.453   42.671  191.700   27.764 -45.24678 50.90786 
1 1 1    7    3   41 o   75.487   29.471   6.9716   8.3327   5.4636   10.098   10.190   14.752   75.611   31.379   90.802   37.826 -15.19121 49.14703 
1 1 1    7    3   42 o  279.509   18.925  109.556   13.621   0.0000   0.0000  109.556   13.621  ?   ?   279.509   18.925 0.000000 18.92470 
1 1 1    7    3   43 o   48.102   22.634  -5.5038   7.2477 -11.5903   10.670  -0.2894   9.8758   53.290   25.719   63.786   28.659 -10.49572 38.50697 
1 1 1    7    3   44 o   65.606   27.030   4.4323   7.4168   6.9393   11.195   2.4711   9.9016   77.111   32.587   67.376   29.561 9.734413 43.99731 
1 1 1    7    3   45 o  121.559   26.680   23.699   8.1703   18.766   11.874   28.135   11.260   99.829   35.951  125.014   33.911 -25.18572 49.42132 
1 1 1    7    3   46 o   84.036   29.584   12.019   7.9968  -0.2823   10.978   25.927   11.672   64.057   29.339  115.688   35.531 -51.63020 46.07841 
1 1 1    7    3   47 o   65.761   27.285   5.4087   7.6324   16.974   11.664  -3.2524   10.094   91.675   35.114   57.450   26.930 34.22544 44.25166 
1 1 1    7    4    0 o  362.241   8.0069  170.219   7.5130  192.200   16.329  164.316   8.4619  383.941   16.419  355.816   9.1810 28.12524 18.81129 
1 1 1    7    4    1 o  329.614   8.8758  140.993   7.5782  172.300   14.839  129.948   8.8142  363.596   15.756  316.292   10.758 47.30417 19.07849 
1 1 1    7    4    2 o  693.191   10.841  624.259   19.465  705.200   37.067  593.437   22.873  734.244   19.489  675.390   13.074 58.85443 23.46838 
1 1 1    7    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    4 o  264.810   11.155   91.140   7.6515   0.0000   0.0000   91.140   7.6515  ?   ?   264.810   11.155 0.000000 11.15484 
1 1 1    7    4    5 o  514.929   12.086  344.859   16.120   0.0000   0.0000  344.859   16.120  ?   ?   514.929   12.086 0.000000 12.08555 
1 1 1    7    4    6 o  501.392   8.5873  326.281   11.153  336.868   16.077  316.460   15.485  508.915   12.195  493.272   12.119 15.64352 17.19315 
1 1 1    7    4    7 o  677.586   9.3832  596.060   16.469  561.500   31.639  608.904   19.288  655.344   18.638  684.566   10.877 -29.22180 21.57984 
1 1 1    7    4    8 o  671.693   9.3972  585.603   16.350  576.400   32.258  588.784   18.967  664.256   18.748  673.268   10.876 -9.012024 21.67399 
1 1 1    7    4    9 o  128.269   14.167   21.656   4.6285   28.100   7.2783   17.280   5.9974  145.392   19.844  113.181   21.237 32.21124 29.06542 
1 1 1    7    4   10 o  427.050   9.5929  236.578   10.612  240.100   18.611  234.882   12.917  429.514   16.728  425.347   11.724 4.166229 20.42695 
1 1 1    7    4   11 o  329.028   8.6417  140.361   7.3651  132.600   14.543  143.038   8.5416  318.781   17.681  332.095   9.9295 -13.31384 20.27819 
1 1 1    7    4   12 o  424.852   9.6794  234.032   10.652  261.500   19.378  222.138   12.751  448.608   16.676  413.799   11.897 34.80832 20.48460 
1 1 1    7    4   13 o  276.246   10.087   98.938   7.2180  102.731   8.9742   91.990   12.147  281.419   12.311  265.490   17.766 15.92917 21.61476 
1 1 1    7    4   14 o  311.059   8.6742  125.405   6.9891  124.253   10.159  126.441   9.6304  309.501   12.672  312.242   11.907 -2.740143 17.38822 
1 1 1    7    4   15 o  641.640   9.5136  533.656   15.812  536.875   22.627  530.585   22.105  643.297   13.579  639.536   13.344 3.760925 19.03790 
1 1 1    7    4   16 o  520.306   9.3474  350.900   12.598  345.655   18.012  355.924   17.627  516.182   13.471  523.824   12.991 -7.641663 18.71463 
1 1 1    7    4   17 o  800.041   10.545  829.854   21.852  845.779   31.417  814.928   30.415  807.245   15.025  792.409   14.818 14.83618 21.10235 
1 1 1    7    4   18 o  563.016   9.3863  410.914   13.689  406.823   19.450  414.930   19.269  559.945   13.410  565.516   13.154 -5.571228 18.78442 
1 1 1    7    4   19 o  482.931   9.2995  302.348   11.633  299.954   16.693  304.608   16.221  480.766   13.404  484.516   12.925 -3.749603 18.62033 
1 1 1    7    4   20 o  228.439   11.045   67.687   6.5354   69.858   9.3603   65.622   9.1288  231.368   15.711  224.199   15.821 7.169418 22.29677 
1 1 1    7    4   21 o  479.801   13.640  298.904   16.952  290.500   24.603  306.500   23.390  472.313   20.110  485.336   18.606 -13.02246 27.39654 
1 1 1    7    4   22 o  756.294   11.993  742.406   23.495  734.100   39.995  746.783   29.032  750.477   20.574  758.095   14.785 -7.617188 25.33512 
1 1 1    7    4   23 o  360.156   10.007  168.282   9.3361  162.979   13.196  173.598   13.211  354.116   14.386  365.508   13.954 -11.39154 20.04130 
1 1 1    7    4   24 o  496.251   9.7271  319.532   12.504  326.106   17.988  313.386   17.392  500.860   13.865  491.019   13.674 9.840546 19.47383 
1 1 1    7    4   25 o  470.206   9.7494  286.957   11.874  304.552   17.366  271.507   16.273  483.884   13.855  456.894   13.750 26.99017 19.52003 
1 1 1    7    4   26 o  327.709   10.254  139.475   8.7041  134.694   12.515  143.955   12.114  321.535   15.026  332.527   14.064 -10.99234 20.58100 
1 1 1    7    4   27 o  153.673   15.659   31.135   6.1460   31.511   8.9858   30.804   8.4249  152.989   23.420  151.537   22.115 1.451981 32.21132 
1 1 1    7    4   28 o  376.432   10.077  184.242   9.8262  207.173   14.550  165.012   13.324  398.429   14.098  355.512   14.468 42.91699 20.20112 
1 1 1    7    4   29 o   81.218   24.338   8.8866   5.5237   7.0536   7.8478   10.686   7.7762   79.550   29.140   90.088   29.182 -10.53770 41.23981 
1 1 1    7    4   30 o  223.690   12.510   65.548   7.2198   63.254   10.183   67.868   10.238  218.357   18.168  226.393   17.597 -8.035919 25.29275 
1 1 1    7    4   31 o  360.821   12.201  170.138   11.403  177.000   20.945  167.248   13.595  363.598   22.347  357.023   14.700 6.574860 26.74867 
1 1 1    7    4   32 o  128.301   26.483   23.063   8.5095   24.640   11.256   20.960   13.000  130.682   33.190  120.787   37.563 9.895096 50.12539 
1 1 1    7    4   33 o  211.367   13.010   58.832   7.0884   57.973   10.126   59.658   9.9261  207.886   19.015  211.160   18.329 -3.274368 26.41087 
1 1 1    7    4   34 o  532.571   10.180  370.726   14.043  382.971   20.265  359.412   19.478  538.759   14.521  522.001   14.406 16.75830 20.45447 
1 1 1    7    4   35 o  131.066   19.558   23.561   6.4368   16.576   9.2173   30.210   8.9930  106.442   31.328  146.637   24.543 -40.19466 39.79760 
1 1 1    7    4   36 o  125.022   19.212   21.537   6.0226   41.058   9.6755   9.1888   7.6951  171.965   22.242   82.966   29.032 88.99925 36.57314 
1 1 1    7    4   37 o  179.431   15.741   43.347   7.2421   40.798   10.373   45.771   10.116  169.736   24.284  181.260   21.996 -11.52458 32.76489 
1 1 1    7    4   38 f  105.977   24.255   16.311   6.5144   7.5730   9.5759   23.838   8.8880   80.955   31.596  126.799   27.825 -45.84370 42.10158 
1 1 1    7    4   39 o  237.460   13.321   75.295   8.1604   91.637   12.454   63.000   10.803  258.345   18.738  213.303   19.776 45.04167 27.24356 
1 1 1    7    4   40 o   87.662   29.536   11.398   7.9435   6.3070   16.352   12.971   9.0877   88.605   38.445   92.584   31.590 -3.979057 49.75844 
1 1 1    7    4   41 o  202.730   18.273   57.131   9.4924   52.660   11.448   66.970   16.982  190.266   23.745  205.103   33.091 -14.83716 40.72881 
1 1 1    7    4   42 f   93.670   27.762   13.774   7.2168   10.845   10.458   16.438   9.9718   85.895   33.159   99.552   33.088 -13.65689 46.84403 
1 1 1    7    4   43 o  216.660   16.004   64.986   8.9179   49.229   12.420   81.756   12.813  177.382   27.957  237.768   21.020 -60.38684 34.97747 
1 1 1    7    4   44 o   62.338   26.452   2.9722   7.4243   1.0248   10.539   4.8907   10.461   66.441   29.746   72.298   31.056 -5.857269 43.00299 
1 1 1    7    4   45 o   54.743   24.889  -1.4182   7.7144  -2.1325   10.793  -0.6721   11.030   62.133   28.687   64.470   29.484 -2.336815 41.13732 
1 1 1    7    4   46 f  141.575   22.653   30.773   8.0274   23.789   12.168   36.155   10.681  108.641   36.556  146.501   29.173 -37.86004 46.76952 
1 1 1    7    4   47 o   74.793   29.286   9.1605   8.2473   9.9570   11.565   8.3363   11.764   78.005   33.052   75.524   32.688 2.481773 46.48634 
1 1 1    7    5    0 o  351.579   9.6232  160.501   8.7638  174.800   16.042  154.419   10.463  365.928   16.925  344.640   11.720 21.28775 20.58666 
1 1 1    7    5    1 o  315.532   9.5127  129.271   7.7749  158.200   14.700  118.036   9.1611  348.208   16.298  301.310   11.738 46.89798 20.08480 
1 1 1    7    5    2 o  771.001   14.133  774.256   28.225   0.0000   0.0000  774.256   28.225  ?   ?   771.001   14.133 0.000000 14.13283 
1 1 1    7    5    3 o  297.929   8.1239  115.180   6.2694  106.462   8.7498  124.378   8.9875  286.129   11.806  309.330   11.217 -23.20087 16.28455 
1 1 1    7    5    4 o  682.974   13.384  607.295   23.678   0.0000   0.0000  607.295   23.678  ?   ?   682.974   13.384 0.000000 13.38435 
1 1 1    7    5    5 o  595.300   9.0388  460.067   13.938  438.055   19.292  484.105   20.159  580.187   12.837  609.938   12.760 -29.75140 18.09938 
1 1 1    7    5    6 o  390.401   8.3294  197.777   8.4232  195.517   11.949  200.010   11.876  387.777   11.896  392.233   11.689 -4.456238 16.67744 
1 1 1    7    5    7 o  296.670   9.6452  114.262   7.4120  118.000   12.703  112.332   9.1267  300.373   16.389  293.964   11.986 6.409119 20.30383 
1 1 1    7    5    8 o  477.886   11.942  296.722   14.782  295.000   21.044  298.400   20.769  475.708   17.078  478.500   16.757 -2.791260 23.92586 
1 1 1    7    5    9 o  346.490   8.4025  155.696   7.5414  160.000   15.074  154.259   8.7098  350.573   16.600  344.808   9.7516 5.764252 19.25214 
1 1 1    7    5   10 o  340.717   8.4866  150.521   7.4899  157.700   15.238  148.234   8.6006  348.167   16.896  338.055   9.8218 10.11240 19.54348 
1 1 1    7    5   11 o  172.299   10.295   38.639   4.5738   45.530   9.1416   36.338   5.2825  186.067   19.245  166.887   12.307 19.18015 22.84375 
1 1 1    7    5   12 o  441.433   12.780  252.835   14.613   0.0000   0.0000  252.835   14.613  ?   ?   441.433   12.780 0.000000 12.77964 
1 1 1    7    5   13 o  528.798   9.0772  362.458   12.433  352.200   24.476  366.026   14.435  520.621   18.150  531.321   10.488 -10.70056 20.96204 
1 1 1    7    5   14 o  539.866   9.0097  377.766   12.599  376.544   17.903  378.966   17.734  538.781   12.828  540.522   12.666 -1.740601 18.02767 
1 1 1    7    5   15 o  532.506   9.1806  367.540   12.663  364.954   18.100  370.019   17.722  530.412   13.174  534.103   12.810 -3.690979 18.37544 
1 1 1    7    5   16 o  1446.70   15.097  2716.41   56.573  2722.79   80.304  2710.13   79.713  1446.85   21.427  1443.51   21.319 3.337158 30.22592 
1 1 1    7    5   17 o  585.677   9.5836  444.659   14.539  432.799   20.697  456.214   20.429  577.533   13.835  592.992   13.300 -15.45868 19.19085 
1 1 1    7    5   18 o  550.708   9.3873  393.158   13.391  391.032   19.207  395.170   18.679  548.942   13.508  551.873   13.067 -2.931091 18.79371 
1 1 1    7    5   19 o  721.825   10.140  675.616   18.959  694.832   27.423  658.023   26.240  731.568   14.471  711.955   14.229 19.61255 20.29482 
1 1 1    7    5   20 o  357.897   13.726  166.294   12.725  158.400   18.701  173.100   17.365  348.145   20.833  364.334   18.460 -16.18936 27.83522 
1 1 1    7    5   21 o  587.862   9.7566  448.180   14.857  441.330   21.236  454.746   20.792  582.933   14.064  591.784   13.564 -8.851257 19.53906 
1 1 1    7    5   22 o  476.658   13.381  295.091   16.521  334.800   24.213  260.500   22.599  507.079   18.434  447.145   19.511 59.93436 26.84217 
1 1 1    7    5   23 o  416.234   13.647  225.126   14.713   0.0000   0.0000  225.126   14.713  ?   ?   416.234   13.647 0.000000 13.64658 
1 1 1    7    5   24 o  492.884   9.7570  315.241   12.457  308.008   17.633  322.447   17.601  486.705   13.986  498.029   13.643 -11.32468 19.53880 
1 1 1    7    5   25 o   52.909   22.548  -0.0177   5.4367  -7.1000   7.9447   6.2199   7.4559   52.161   24.265   76.930   28.369 -24.76917 37.33107 
1 1 1    7    5   26 o  254.048   15.769   84.484   10.325   0.0000   0.0000   84.484   10.325  ?   ?   254.048   15.769 0.000000 15.76856 
1 1 1    7    5   27 o  298.008   10.788  115.469   8.3279  104.169   11.958  126.109   11.604  281.860   16.451  310.963   14.407 -29.10312 21.86720 
1 1 1    7    5   28 o  540.995   9.8634  380.553   13.822  379.458   19.675  381.620   19.422  539.117   14.089  540.718   13.867 -1.601013 19.76829 
1 1 1    7    5   29 o  211.420   12.674   58.542   6.9090   61.576   10.199   55.969   9.3926  215.540   18.445  205.584   17.814 9.955612 25.64261 
1 1 1    7    5   30 o  201.627   15.292   53.631   7.9273   44.128   9.7804   71.830   13.535  181.182   21.243  231.117   22.910 -49.93449 31.24304 
1 1 1    7    5   31 o  123.530   20.005   20.733   6.1822   16.091   9.1230   24.674   8.4068  106.936   31.081  133.417   25.251 -26.48075 40.04509 
1 1 1    7    5   32 f  151.797   20.707   31.253   7.9295   25.991   9.6125   42.460   14.028  135.668   28.270  172.424   32.603 -36.75595 43.15274 
1 1 1    7    5   33 o  290.440   11.177  110.346   8.4086  119.862   12.309  102.022   11.514  300.807   15.854  277.362   16.095 23.44510 22.59172 
1 1 1    7    5   34 o  196.203   13.790   50.966   6.9639   54.357   10.048   47.830   9.6608  200.500   19.597  187.728   20.184 12.77162 28.13239 
1 1 1    7    5   35 o  192.188   14.728   49.206   7.2760   51.481   10.432   47.050   10.153  193.852   21.117  185.007   21.593 8.845383 30.20259 
1 1 1    7    5   36 o  269.271   11.873   95.507   8.2815  104.323   12.213   88.002   11.268  278.520   17.010  255.670   17.113 22.84933 24.12841 
1 1 1    7    5   37 o  164.070   16.796   36.518   7.0373   33.984   10.107   38.903   9.8048  153.352   26.395  166.008   23.455 -12.65620 35.31028 
1 1 1    7    5   38 o  119.647   22.164   20.384   6.6161   25.171   9.6495   16.137   9.0887  129.286   29.470  103.010   31.298 26.27592 42.98867 
1 1 1    7    5   39 o  227.102   15.260   69.600   8.9249   77.186   11.388   57.520   14.370  236.861   18.713  196.381   29.132 40.48004 34.62461 
1 1 1    7    5   40 o  151.150   23.201   32.988   8.7935   34.350   18.354   32.582   10.018  135.581   44.882  147.466   27.230 -11.88470 52.49603 
1 1 1    7    5   41 f   65.185   27.436   2.9686   7.8831   10.844   10.154  -8.9770   12.506   86.566   32.857   61.862   29.297 24.70435 44.02140 
1 1 1    7    5   42 o   94.563   28.579   14.220   7.5929   6.5455   10.586   22.351   10.896   77.093   32.073  114.189   34.174 -37.09566 46.86737 
1 1 1    7    5   43 o   56.359   24.722   0.5382   6.9226   11.492   10.281  -8.5476   9.3634   85.736   32.937   51.896   24.794 33.83944 41.22602 
1 1 1    7    5   44 o   70.829   28.107   6.5557   7.6898   11.186   11.187   2.4082   10.588   84.466   33.777   68.375   30.259 16.09058 45.34906 
1 1 1    7    5   45 f   48.123   22.622  -4.7600   7.2105 -24.5136   11.059   9.8458   9.5097   44.661   22.377   79.502   31.349 -34.84044 38.51623 
1 1 1    7    5   46 o   79.379   29.787   10.524   8.2906   11.227   11.819   9.8428   11.633   81.916   33.968   79.407   33.369 2.509003 47.61653 
1 1 1    7    5   47 o   52.271   24.088  -1.7435   7.5561  -1.9556   11.971  -1.6029   9.7421   62.334   29.253   58.152   26.991 4.182114 39.80305 
1 1 1    7    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    6    1 o  560.828   10.261  408.637   14.907  444.200   26.402  391.995   18.061  582.994   17.483  548.833   12.704 34.16095 21.61135 
1 1 1    7    6    2 o  495.461   9.8824  318.860   12.683  337.900   22.082  309.487   15.493  508.658   16.760  487.743   12.263 20.91470 20.76707 
1 1 1    7    6    3 o  505.206   9.9328  331.533   12.998  306.300   21.412  346.259   16.357  484.221   17.071  515.914   12.240 -31.69275 21.00587 
1 1 1    7    6    4 o  431.727   11.588  242.345   12.959  244.700   18.347  240.000   18.307  432.983   16.358  428.779   16.483 4.203735 23.22231 
1 1 1    7    6    5 o  359.584   11.385  168.067   10.604  165.000   15.039  171.100   14.954  355.614   16.326  362.190   15.940 -6.576141 22.81733 
1 1 1    7    6    6 o  151.434   11.886   29.991   4.6249   29.880   6.0978   30.140   7.0964  150.585   15.872  150.776   18.562 -0.1916046 24.42268 
1 1 1    7    6    7 o  515.279   8.8881  344.499   11.863  333.978   16.653  355.338   16.904  506.877   12.684  522.865   12.481 -15.98788 17.79451 
1 1 1    7    6    8 o  325.641   8.7535  137.546   7.3836  133.158   10.582  141.711   10.308  320.134   12.761  330.312   12.047 -10.17804 17.54913 
1 1 1    7    6    9 o  294.556   8.7623  112.517   6.6855  101.600   13.552  116.028   7.6859  278.618   18.889  299.063   9.9216 -20.44431 21.33631 
1 1 1    7    6   10 f  250.660   9.1108   81.468   5.9155   80.460   12.068   81.787   6.7869  247.918   18.935  251.105   10.434 -3.186768 21.61939 
1 1 1    7    6   11 o  142.271   12.387   26.461   4.5195   28.830   10.158   25.876   5.0465  146.158   27.847  140.488   14.056 5.670013 31.19335 
1 1 1    7    6   12 o  257.354   14.063   86.212   9.3390   0.0000   0.0000   86.212   9.3390  ?   ?   257.354   14.063 0.000000 14.06260 
1 1 1    7    6   13 o  967.740   11.500  1214.50   28.827  1213.00   57.426  1215.01   33.330  965.288   22.967  967.732   13.296 -2.443665 26.53828 
1 1 1    7    6   14 o  240.705   10.533   75.117   6.5673   70.210   13.655   76.594   7.4905  231.116   23.119  243.024   11.899 -11.90843 26.00161 
1 1 1    7    6   15 o  314.788   9.5654  128.448   7.7996  131.244   11.331  125.930   10.753  318.051   13.753  311.563   13.324 6.488007 19.14858 
1 1 1    7    6   16 o  626.427   9.8087  508.701   15.916  510.051   22.706  507.396   22.316  626.960   13.982  625.344   13.776 1.616882 19.62852 
1 1 1    7    6   17 o  710.518   10.041  654.514   18.479  673.967   26.765  636.793   25.545  720.613   14.339  700.484   14.079 20.12891 20.09498 
1 1 1    7    6   18 o  248.896   10.462   80.331   6.7451   84.192   9.9356   77.030   9.1864  254.189   15.159  243.148   14.654 11.04073 21.08394 
1 1 1    7    6   19 o  717.497   11.750  667.863   21.839  667.792   26.898  668.000   37.408  717.148   14.480  716.407   20.159 0.7407837 24.81992 
1 1 1    7    6   20 f  866.591   12.775  974.751   28.675  1063.00   53.409  939.009   33.990  902.817   22.838  850.130   15.435 52.68719 27.56520 
1 1 1    7    6   21 o  356.103   9.8764  164.474   9.1101  157.757   13.193  170.595   12.595  348.457   14.617  362.447   13.415 -13.99051 19.83981 
1 1 1    7    6   22 o  300.625   14.537  117.460   11.320  118.400   15.929  116.500   16.089  300.611   20.581  298.113   20.969 2.497559 29.38129 
1 1 1    7    6   23 o  254.652   11.486   84.194   7.5766   88.918   11.241   80.261   10.257  260.813   16.726  247.830   16.064 12.98320 23.19092 
1 1 1    7    6   24 o  500.237   9.7141  324.748   12.587  325.176   18.155  324.352   17.467  500.023   14.017  499.465   13.501 0.5579834 19.46156 
1 1 1    7    6   25 o  322.020   10.429  134.667   8.6990  140.137   12.579  129.654   12.043  328.045   14.804  315.545   14.734 12.50021 20.88630 
1 1 1    7    6   26 o  387.656   13.683  195.709   13.740   0.0000   0.0000  195.709   13.740  ?   ?   387.656   13.683 0.000000 13.68341 
1 1 1    7    6   27 o  225.612   12.174   66.463   7.0882   73.081   10.407   60.735   9.6809  235.701   17.163  214.678   17.563 21.02339 24.55665 
1 1 1    7    6   28 o  553.617   9.9377  398.635   14.251  397.569   20.478  399.637   19.845  551.620   14.332  553.212   13.849 -1.592407 19.92945 
1 1 1    7    6   29 o  308.188   10.664  123.721   8.5129  122.529   12.319  124.811   11.777  305.313   15.630  308.741   14.726 -3.428131 21.47446 
1 1 1    7    6   30 o   69.360   28.430   2.7196   8.1528   8.2090   13.669  -0.3116   10.157   94.750   37.514   70.283   30.397 24.46708 48.28295 
1 1 1    7    6   31 o  290.148   12.596  110.160   9.4664  123.100   15.896  103.049   11.784  303.608   20.330  279.193   16.366 24.41537 26.09884 
1 1 1    7    6   32 o   67.868   26.799   3.9004   6.9585  -0.2376   8.3828   13.070   12.479   63.811   27.606  101.441   36.807 -37.63028 46.00951 
1 1 1    7    6   33 o  198.828   13.575   52.220   6.9495   47.533   9.8614   56.843   9.7950  187.242   20.677  205.784   18.576 -18.54230 27.79590 
1 1 1    7    6   34 o  155.688   16.106   32.491   6.4014   31.706   9.1836   33.233   8.9278  150.629   24.369  154.898   22.945 -4.268509 33.47140 
1 1 1    7    6   35 o  303.751   11.593  121.276   9.1216  124.883   12.963  117.738   12.837  305.578   16.438  296.486   16.785 9.091980 23.49292 
1 1 1    7    6   36 o  407.738   10.556  218.327   11.148  218.277   16.002  218.375   15.540  404.659   15.267  405.088   14.810 -0.4294434 21.27009 
1 1 1    7    6   37 o   61.925   24.730   3.3564   5.9878   4.7417   8.6486   2.0812   8.2982   72.814   29.493   66.275   28.035 6.539078 40.69160 
1 1 1    7    6   38 f   80.429   26.054   9.2186   6.1985   7.4851   8.9161   10.840   8.6232   79.226   30.609   87.435   30.725 -8.209572 43.36987 
1 1 1    7    6   39 o   95.707   33.437   13.851   10.205   37.240   16.827   0.2414   12.835  145.745   42.168   74.424   33.108 71.32081 53.61188 
1 1 1    7    6   40 o  112.144   27.688   19.256   7.9950   6.3720   13.797   25.769   9.8098   84.063   35.875  128.580   30.002 -44.51639 46.76714 
1 1 1    7    6   41 o  167.138   22.360   40.486   9.4377   28.027   11.687   63.840   16.001  129.294   34.323  200.423   31.890 -71.12953 46.85093 
1 1 1    7    6   42 o   46.236   22.005  -7.0010   7.2271  -2.5741   10.603 -10.8429   9.8772   62.793   28.787   51.635   24.876 11.15728 38.04577 
1 1 1    7    6   43 o   59.049   25.508   1.6446   7.1357   21.621   10.901 -13.3330   9.4390  110.134   34.421   47.626   23.259 62.50799 41.54284 
1 1 1    7    6   44 o   62.860   26.410   3.5242   7.2834   20.161   10.806 -10.3278   9.8599  104.982   34.422   51.189   24.710 53.79225 42.37295 
1 1 1    7    6   45 o   78.289   28.996   9.8237   7.8056   10.519   10.714   9.0374   11.396   81.245   32.855   78.975   33.100 2.270271 46.63698 
1 1 1    7    6   46 o   62.029   26.357   3.6994   7.3889   0.2073   10.132   7.6672   10.799   62.183   28.368   74.552   31.776 -12.36908 42.59644 
1 1 1    7    7    0 o  321.950   8.7245  134.551   7.2758  136.874   10.439  132.356   10.147  324.337   12.425  318.956   12.281 5.380829 17.47023 
1 1 1    7    7    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    7    2 o  630.300   9.3513  515.852   15.268  526.180   21.849  505.998   21.343  635.755   13.268  623.456   13.216 12.29883 18.72677 
1 1 1    7    7    3 o  331.662   8.4775  142.757   7.2831  109.325   9.8631  182.845   10.800  289.825   13.138  375.076   11.116 -85.25125 17.20985 
1 1 1    7    7    4 o  504.980   8.8168  330.967   11.533  329.843   16.350  332.081   16.270  503.580   12.534  505.304   12.430 -1.723541 17.65289 
1 1 1    7    7    5 o  240.290   12.948   75.313   8.0294   0.0000   0.0000   75.313   8.0294  ?   ?   240.290   12.948 0.000000 12.94803 
1 1 1    7    7    6 o  275.882   8.9073   98.750   6.3653   99.128   9.2053   98.404   8.8114  276.143   12.869  275.172   12.362 0.9706116 17.84483 
1 1 1    7    7    7 o   86.245   17.956   10.052   3.8811   8.9626   5.6253   11.042   5.3616   82.220   24.543   90.152   22.912 -7.932381 33.57531 
1 1 1    7    7    8 o  411.553   12.481  219.953   13.305   0.0000   0.0000  219.953   13.305  ?   ?   411.553   12.481 0.000000 12.48053 
1 1 1    7    7    9 o  459.331   9.0741  273.583   10.796  265.571   15.243  281.650   15.294  452.270   13.011  465.790   12.676 -13.51953 18.16522 
1 1 1    7    7   10 o  511.826   9.0181  339.625   11.956  322.700   23.591  345.475   13.869  498.133   18.283  516.131   10.374 -17.99774 21.02118 
1 1 1    7    7   11 o  308.746   13.095  123.690   10.473   0.0000   0.0000  123.690   10.473  ?   ?   308.746   13.095 0.000000 13.09488 
1 1 1    7    7   12 o   65.916   20.864   5.5547   3.9924   16.600   8.6452   2.5605   4.5012  110.808   29.570   56.030   21.720 54.77823 36.68973 
1 1 1    7    7   13 o  674.475   9.8740  589.737   17.251  608.500   34.931  583.685   19.839  684.165   19.711  670.900   11.416 13.26563 22.77788 
1 1 1    7    7   14 o  825.609   10.868  883.797   23.243  840.000   44.985  899.748   27.147  803.570   21.612  832.867   12.583 -29.29712 25.00814 
1 1 1    7    7   15 o  425.982   11.579  235.321   12.776  226.400   23.053  239.276   15.349  416.638   21.433  429.431   13.799 -12.79300 25.49098 
1 1 1    7    7   16 o  707.422   10.420  648.860   19.094  673.800   38.620  640.792   21.966  719.732   20.715  702.880   12.065 16.85278 23.97232 
1 1 1    7    7   17 o  363.833   9.3600  171.608   8.8212  164.503   12.621  178.393   12.334  356.030   13.686  370.802   12.841 -14.77161 18.76684 
1 1 1    7    7   18 o  464.077   13.474  279.529   16.197  279.529   16.197   0.0000   0.0000  464.077   13.474  ?   ?  0.000000 13.47427 
1 1 1    7    7   19 o  537.199   13.733  374.665   19.110  381.100   28.063  369.100   26.096  541.056   20.023  532.616   18.915 8.439331 27.54475 
1 1 1    7    7   20 o  778.096   10.577  785.369   21.318  797.831   30.700  773.763   29.627  783.597   15.125  771.737   14.820 11.86035 21.17563 
1 1 1    7    7   21 o  659.717   10.084  564.584   17.232  588.922   25.170  543.113   23.642  673.223   14.433  646.556   14.116 26.66718 20.18901 
1 1 1    7    7   22 f   57.443   25.024  -1.2639   6.9850  -0.4817   9.7407  -2.0920   10.022   69.872   29.990   68.192   29.833 1.680527 42.30120 
1 1 1    7    7   23 o  273.045   11.083   96.794   7.8386  100.970   11.646   93.335   10.599  278.016   16.243  267.386   15.367 10.62982 22.36005 
1 1 1    7    7   24 o  432.061   9.9434  242.321   11.128  255.468   16.391  231.079   15.157  443.095   14.281  421.467   13.884 21.62805 19.91732 
1 1 1    7    7   25 o  181.313   14.344   43.075   6.6818   47.936   10.004   39.159   8.9780  190.227   20.633  171.725   20.594 18.50169 29.15246 
1 1 1    7    7   26 o  272.939   11.277   96.875   7.9729   96.985   11.805   96.783   10.811  271.912   16.844  271.907   15.413 0.4730225E-02 22.83144 
1 1 1    7    7   27 o  168.835   14.901   37.517   6.4498   45.485   9.6067   30.977   8.7030  184.854   20.403  151.540   22.884 33.31403 30.65883 
1 1 1    7    7   28 o  363.569   10.378  172.046   9.7739  171.955   14.290  172.127   13.398  362.443   15.221  362.860   14.254 -0.4174194 20.85335 
1 1 1    7    7   29 o  144.177   19.959   27.983   7.2540   27.543   9.1243   28.740   11.959  141.303   25.883  142.217   33.086 -0.9143372 42.00703 
1 1 1    7    7   30 o  111.733   25.694   17.446   7.2811   12.260   15.829   18.838   8.2001  105.845   40.814  115.722   27.721 -9.877045 49.33762 
1 1 1    7    7   31 o  118.261   23.358   19.380   6.9013   37.570   11.138   8.0456   8.7925  164.401   27.100   83.509   30.805 80.89177 41.02858 
1 1 1    7    7   32 o  179.717   15.442   42.896   7.1189   45.752   10.250   40.234   9.8946  183.391   22.018  171.515   22.839 11.87521 31.72374 
1 1 1    7    7   33 o  201.042   13.648   53.438   7.0654   53.730   10.285   53.177   9.7230  199.216   20.210  198.622   19.135 0.5936584 27.83152 
1 1 1    7    7   34 o  264.000   11.746   91.531   8.0326   95.024   11.695   88.411   11.052  266.477   17.032  257.171   16.680 9.305969 23.83970 
1 1 1    7    7   35 o   70.124   25.711   5.8813   6.1115   4.6946   8.6109   7.0857   8.6753   73.347   29.527   79.087   30.286 -5.739044 42.29741 
1 1 1    7    7   36 o  197.253   14.440   52.018   7.3267   52.077   10.401   51.961   10.322  194.053   21.029  193.923   20.878 0.1302490 29.63292 
1 1 1    7    7   37 o  159.815   16.830   34.760   6.8622   44.469   10.149   26.582   9.3142  177.793   22.543  134.116   27.727 43.67708 35.73471 
1 1 1    7    7   38 o   47.358   21.911  -4.1892   6.3460   6.7111   9.4193 -13.2494   8.5876   78.204   31.085   46.116   22.447 32.08766 38.34217 
1 1 1    7    7   39 o   60.683   27.989  -4.7626   10.235  -6.0250   16.611  -3.9900   12.995   75.526   35.119   69.333   31.816 6.192078 47.38777 
1 1 1    7    7   40 o  205.525   16.782   58.038   8.8563   70.380   16.128   52.711   10.597  214.141   29.891  192.225   21.660 21.91614 36.91380 
1 1 1    7    7   41 o  107.367   27.535   18.036   7.6947   18.550   10.575   17.457   11.217  104.940   34.036  101.699   35.082 3.240273 48.87907 
1 1 1    7    7   42 o   60.966   25.512   2.9036   6.7536   17.113   9.2094 -13.6287   9.9338  100.984   31.651   49.241   24.006 51.74331 39.72508 
1 1 1    7    7   43 o   94.741   28.925   14.816   7.7492   11.155   10.859   18.614   11.062   84.568   33.451  101.571   34.850 -17.00329 48.30617 
1 1 1    7    7   44 o   66.785   27.743   4.8288   7.9042   8.9302   11.117   0.6354   11.241   79.343   32.926   66.657   30.203 12.68687 44.67995 
1 1 1    7    7   45 o   72.056   28.167   7.6213   7.6194   10.217   11.601   5.6522   10.104   80.698   33.574   71.176   30.547 9.521896 45.39037 
1 1 1    7    7   46 o   72.327   29.060   7.9482   8.3235   16.598   11.927  -0.2653   11.622   90.815   35.313   64.151   29.671 26.66460 46.12322 
1 1 1    7    8    0 o   79.716   24.142   8.4235   5.4141   8.4235   5.4141   0.0000   0.0000   79.716   24.142  ?   ?  0.000000 24.14202 
1 1 1    7    8    1 f  498.721   8.9283  322.838   11.534  328.771   16.564  317.253   16.070  502.719   12.720  493.861   12.562 8.858093 17.87749 
1 1 1    7    8    2 o  311.784   12.608  126.430   10.183   0.0000   0.0000  126.430   10.183  ?   ?   311.784   12.608 0.000000 12.60818 
1 1 1    7    8    3 o  516.538   8.9781  346.257   12.013  345.245   17.103  347.242   16.876  515.246   12.815  516.768   12.607 -1.521729 17.97668 
1 1 1    7    8    4 o  523.514   12.687  356.290   17.204   0.0000   0.0000  356.290   17.204  ?   ?   523.514   12.687 0.000000 12.68673 
1 1 1    7    8    5 f  169.062   11.159   37.275   4.8594   34.193   6.9116   40.288   6.8334  161.148   16.805  175.298   15.200 -14.15021 22.65912 
1 1 1    7    8    6 o  178.602   15.656   41.820   7.1698   0.0000   0.0000   41.820   7.1698  ?   ?   178.602   15.656 0.000000 15.65591 
1 1 1    7    8    7 o  207.308   10.579   55.909   5.6617   53.997   8.3526   57.535   7.7008  203.131   16.004  209.936   14.245 -6.804840 21.42571 
1 1 1    7    8    8 o  260.878   9.8393   88.267   6.6490   90.046   9.6102   86.634   9.2088  262.919   14.163  257.911   13.835 5.008209 19.79890 
1 1 1    7    8    9 o  419.405   9.1261  228.055   9.9145  226.130   14.145  229.914   13.900  417.401   13.083  420.902   12.750 -3.500427 18.26784 
1 1 1    7    8   10 o  232.050   16.209   70.284   9.6818   67.000   13.876   73.400   13.516  225.449   24.135  236.365   22.340 -10.91620 32.88770 
1 1 1    7    8   11 o  576.506   11.013  430.997   16.446  404.100   27.792  445.490   20.401  557.509   19.245  585.939   13.442 -28.42944 23.47458 
1 1 1    7    8   12 o  335.667   9.3586  146.053   8.1371  160.600   17.016  141.741   9.2652  351.031   18.781  330.626   10.818 20.40567 21.67443 
1 1 1    7    8   13 o  486.409   9.5311  306.693   12.009  299.700   23.836  309.072   13.902  480.192   19.163  488.221   10.993 -8.028687 22.09227 
1 1 1    7    8   14 o  209.767   13.484   57.324   7.2880   53.870   14.983   58.395   8.3413  200.986   29.672  211.547   15.326 -10.56065 33.39625 
1 1 1    7    8   15 o  506.454   11.144  332.615   14.619  325.400   25.950  335.969   17.695  500.239   20.026  508.859   13.425 -8.620178 24.10964 
1 1 1    7    8   16 o  655.358   11.448  557.040   19.434  574.100   34.890  549.366   23.401  664.325   20.275  650.614   13.885 13.71082 24.57418 
1 1 1    7    8   17 o  794.900   10.787  819.461   22.212  814.900   43.977  821.024   25.735  791.115   21.461  795.476   12.490 -4.360046 24.83033 
1 1 1    7    8   18 o  440.587   13.955  252.026   15.926  250.000   23.311  253.800   21.810  438.190   20.537  441.668   19.064 -3.478790 28.02150 
1 1 1    7    8   19 o  367.037   13.673  174.926   13.000   0.0000   0.0000  174.926   13.000  ?   ?   367.037   13.673 0.000000 13.67317 
1 1 1    7    8   20 o  546.039   9.8478  386.729   13.929  383.613   19.892  389.727   19.510  543.412   14.132  547.769   13.750 -4.356995 19.71742 
1 1 1    7    8   21 o  691.276   11.798  620.359   21.125  632.400   36.798  614.440   25.800  696.331   20.401  687.562   14.486 8.769287 25.02139 
1 1 1    7    8   22 o   83.177   26.454   8.9173   6.4124   3.9073   8.0080   17.870   10.705   72.746   28.741  115.144   33.726 -42.39725 44.31150 
1 1 1    7    8   23 o  329.348   10.382  140.810   8.8574  136.221   12.758  145.080   12.307  323.508   15.224  333.966   14.226 -10.45865 20.83680 
1 1 1    7    8   24 o  196.073   13.255   50.234   6.6923   48.297   9.9988   51.806   9.0074  191.046   20.527  198.460   17.708 -7.414047 27.10952 
1 1 1    7    8   25 o  486.376   9.7809  307.238   12.323  305.763   17.687  308.629   17.177  484.482   14.094  486.839   13.621 -2.357300 19.60047 
1 1 1    7    8   26 o  154.972   15.778   31.692   6.2453   29.733   9.1016   33.434   8.5853  148.111   24.586  158.009   21.537 -9.897934 32.68475 
1 1 1    7    8   27 o  754.349   10.713  740.556   20.933  761.633   30.403  721.560   28.864  763.064   15.381  742.898   14.999 20.16589 21.48413 
1 1 1    7    8   28 o   88.849   24.870   10.845   5.9498   5.5099   8.8729   15.204   8.0201   78.159   30.440  104.531   28.731 -26.37193 41.85737 
1 1 1    7    8   29 o  285.560   16.829  107.683   12.393  109.200   19.761  106.700   15.912  283.245   27.271  282.375   21.926 0.8705444 34.99242 
1 1 1    7    8   30 o  220.182   18.074   64.513   10.217   0.0000   0.0000   64.513   10.217  ?   ?   220.182   18.074 0.000000 18.07362 
1 1 1    7    8   31 o  356.442   14.768  167.145   13.636  177.900   18.951  155.600   19.634  364.804   20.133  339.826   22.431 24.97803 30.14150 
1 1 1    7    8   32 o   77.491   25.460   7.9698   5.9103   13.490   9.1166   3.9677   7.7626   98.343   31.571   70.304   28.129 28.03909 42.28393 
1 1 1    7    8   33 o   48.888   21.422  -0.8469   5.1857   0.9526   6.9425  -3.1183   7.7997   60.377   25.597   56.169   25.331 4.207916 36.01170 
1 1 1    7    8   34 o  140.727   17.404   26.842   6.2088   31.643   9.8936   23.723   7.9747  148.953   26.619  129.358   24.701 19.59514 36.31376 
1 1 1    7    8   35 o   90.732   25.587   11.871   6.2734   14.638   9.2305   9.4955   8.5522   99.797   31.739   84.833   30.515 14.96387 44.02879 
1 1 1    7    8   36 o   51.839   22.891  -1.0099   6.0265   7.0004   8.6187  -8.6730   8.4299   78.027   30.108   50.421   23.929 27.60541 38.45911 
1 1 1    7    8   37 o   95.727   25.993   13.524   6.6115   17.193   10.001   10.677   8.8114  105.582   32.966   87.243   31.017 18.33916 45.26423 
1 1 1    7    8   38 o   63.655   27.152   1.7105   7.8954  -5.4986  10.0000   13.640   12.864   59.269   27.452   97.059   36.948 -37.78949 46.03048 
1 1 1    7    8   39 o  121.787   27.566   22.527   8.4933   38.440   18.163   18.074   9.6085  144.044   44.336  106.616   32.133 37.42772 54.75626 
1 1 1    7    8   40 o   96.329   29.582   14.594   8.0911   15.720   12.931   13.869   10.372   98.660   37.166   93.878   33.623 4.782028 50.11808 
1 1 1    7    8   41 o   93.247   28.048   13.750   7.3263   8.3110   10.911   18.215   9.8863   80.860   32.987  104.141   32.818 -23.28111 46.53105 
1 1 1    7    8   42 o   65.644   27.423   3.9462   7.7848   19.687   11.333 -10.1169   10.712  104.856   35.279   54.479   26.159 50.37669 43.91929 
1 1 1    7    8   43 o   72.402   28.571   7.1173   7.9044   6.0375   11.214   8.1834   11.143   75.040   32.192   78.619   32.823 -3.578995 45.97488 
1 1 1    7    8   44 o  117.820   26.830   22.540   8.0048   29.160   11.755   16.817   10.930  125.219   34.924   95.280   34.467 29.93938 49.06834 
1 1 1    7    8   45 o   47.721   22.724  -6.1996   7.7291  -8.4011   10.647  -3.7473   11.238   54.192   26.036   60.224   28.289 -6.032181 38.44668 
1 1 1    7    8   46 o   53.555   24.440  -0.8794   7.5275   2.6215   10.692  -4.3198   10.599   65.633   29.623   57.148   27.037 8.484451 40.10625 
1 1 1    7    9    0 o  712.710   11.431  659.885   21.103  593.800   34.125  700.805   26.853  674.114   19.543  733.888   14.126 -59.77393 24.11367 
1 1 1    7    9    1 f  232.443   9.7828   70.129   5.8902   59.987   8.1994   80.944   8.4670  214.166   14.872  249.160   13.166 -34.99408 19.86270 
1 1 1    7    9    2 o  370.236   8.9294  177.840   8.5635  168.605   12.067  187.212   12.155  360.152   12.934  379.565   12.363 -19.41260 17.89252 
1 1 1    7    9    3 o  448.146   8.8927  260.536   10.323  210.216   13.742  325.715   15.639  402.155   13.192  500.735   12.058 -98.57935 17.87188 
1 1 1    7    9    4 o  816.553   10.550  865.408   22.314  828.332   30.697  906.945   32.492  798.031   14.850  835.000   15.022 -36.96887 21.12330 
1 1 1    7    9    5 o  333.242   12.992  144.254   11.215   0.0000   0.0000  144.254   11.215  ?   ?   333.242   12.992 0.000000 12.99188 
1 1 1    7    9    6 o  767.745   10.340  764.677   20.562  777.662   29.474  752.366   28.700  773.578   14.709  760.918   14.561 12.65985 20.69734 
1 1 1    7    9    7 o  493.899   9.2763  316.313   11.868  315.765   16.909  316.844   16.660  493.166   13.236  494.027   13.019 -0.8616638 18.56619 
1 1 1    7    9    8 o  612.084   11.179  485.976   17.725  481.700   31.416  487.972   21.468  608.361   19.936  613.122   13.517 -4.760132 24.08675 
1 1 1    7    9    9 o  207.861   17.159   56.524   9.1564   57.120   12.856   55.910   13.044  207.925   24.330  205.563   25.013 2.362167 34.89425 
1 1 1    7    9   10 o  1134.98   12.776  1671.26   37.561  1724.43   54.675  1623.74   51.688  1151.85   18.325  1117.81   17.851 34.03455 25.58291 
1 1 1    7    9   11 o  335.879   9.9062  146.257   8.6187  148.839   12.524  143.933   11.879  338.652   14.277  333.047   13.769 5.604340 19.83520 
1 1 1    7    9   12 o  319.299   10.023  132.174   8.2895  142.700   17.396  129.082   9.4288  330.631   20.412  315.492   11.538 15.13983 23.44740 
1 1 1    7    9   13 o  806.935   10.927  844.323   22.841  820.100   44.889  852.785   26.532  793.883   21.829  810.809   12.633 -16.92615 25.22071 
1 1 1    7    9   14 o  455.582   10.249  269.101   12.094  285.900   25.295  264.122   13.770  468.808   20.830  451.271   11.780 17.53683 23.93021 
1 1 1    7    9   15 o  447.091   9.8419  259.156   11.398  237.500   22.433  266.692   13.233  427.285   20.269  453.471   11.266 -26.18671 23.18923 
1 1 1    7    9   16 f  543.608   9.8442  383.157   13.862  400.800   28.398  377.638   15.882  555.048   19.752  539.579   11.363 15.46875 22.78741 
1 1 1    7    9   17 o  548.933   13.852  391.197   19.696  378.700   28.261  403.000   27.466  539.367   20.228  556.562   19.052 -17.19501 27.78736 
1 1 1    7    9   18 o  417.207   10.463  225.771   11.307  260.500   24.203  216.076   12.788  447.158   20.896  408.049   12.099 39.10928 24.14561 
1 1 1    7    9   19 o  573.162   10.190  426.132   15.128  415.200   30.620  429.663   17.400  564.361   20.946  575.393   11.675 -11.03156 23.97977 
1 1 1    7    9   20 f  175.470   14.762   40.300   6.6473   37.715   9.7521   42.544   9.0846  168.408   22.953  179.586   19.862 -11.17789 30.35361 
1 1 1    7    9   21 o  228.753   16.756   68.480   9.8597   68.570   13.959   68.390   13.929  227.671   24.033  227.372   24.013 0.2984924 33.97334 
1 1 1    7    9   22 o  134.144   18.323   23.892   6.2003   12.055   9.1363   33.999   8.4420   97.075   31.643  159.993   20.867 -62.91773 37.90417 
1 1 1    7    9   23 o  193.798   13.706   49.098   6.8358   46.462   10.062   51.358   9.3159  187.279   21.109  197.510   18.422 -10.23094 28.01688 
1 1 1    7    9   24 o  469.052   9.9040  285.707   12.033  292.395   17.434  279.621   16.629  473.844   14.204  463.440   13.853 10.40402 19.84066 
1 1 1    7    9   25 o  213.218   12.547   59.380   6.8990   53.196   10.137   64.716   9.4163  200.470   19.779  221.970   16.495 -21.49951 25.75418 
1 1 1    7    9   26 o  177.320   14.590   41.328   6.6418   49.714   10.192   35.138   8.7565  193.282   20.678  161.958   21.397 31.32442 29.75557 
1 1 1    7    9   27 o  240.524   12.104   75.620   7.5173   58.655   11.067   90.154   10.243  209.811   20.629  262.026   15.156 -52.21518 25.59861 
1 1 1    7    9   28 o  212.319   15.804   59.483   8.6296   54.839   11.013   66.870   13.890  202.265   21.342  222.441   24.514 -20.17528 32.50244 
1 1 1    7    9   29 f  206.485   13.572   56.078   7.2185   58.901   10.565   53.606   9.8856  209.921   19.659  200.303   19.292 9.617538 27.54371 
1 1 1    7    9   30 o   50.046   22.290  -1.9417   5.8371 -10.8972   8.6211   5.6389   7.9318   49.797   23.791   75.286   28.928 -25.48945 37.45486 
1 1 1    7    9   31 o   58.713   25.524  -0.5745   7.2355   7.7130   9.5288 -11.8600   11.120   83.908   31.833   58.128   27.556 25.77978 42.10358 
1 1 1    7    9   32 o   97.100   24.939   13.347   6.3055   26.889   9.4078   2.3020   8.4964  137.604   27.358   68.762   28.680 68.84210 39.63589 
1 1 1    7    9   33 o  130.314   19.700   23.293   6.4422   15.006   9.0481   31.813   9.1746  101.896   31.281  150.758   24.322 -48.86166 39.62360 
1 1 1    7    9   34 f  353.202   11.007  163.823   10.070  176.016   14.928  153.639   13.642  363.435   15.857  339.760   15.501 23.67517 22.17481 
1 1 1    7    9   35 o  102.788   23.473   15.172   6.1126   14.619   8.9404   15.657   8.3763   99.355   31.193  102.609   29.770 -3.253510 43.11861 
1 1 1    7    9   36 o   95.283   25.911   13.340   6.5638   6.6134   9.8012   18.809   8.8386   79.268   31.645  111.452   29.967 -32.18447 43.58228 
1 1 1    7    9   37 o   77.875   26.629   8.4356   6.4580   6.3740   9.9997   9.9107   8.4586   78.650   31.764   84.515   30.353 -5.865204 43.93468 
1 1 1    7    9   38 o   79.721   32.288   6.8720   10.364   12.730   17.508   3.7120   12.859   99.063   41.232   79.143   34.216 19.92004 53.57997 
1 1 1    7    9   39 o   75.412   26.978   7.8687   6.6759 -12.0589   9.8637   24.713   9.0686   51.276   24.742  126.800   28.325 -75.52365 37.60957 
1 1 1    7    9   40 o  168.274   25.615   42.421   10.813   40.090   15.279   44.760   15.304  150.158   38.951  161.006   37.409 -10.84885 54.00565 
1 1 1    7    9   41 o  151.647   21.741   33.648   8.2958   34.659   12.044   32.735   11.443  143.642   33.056  140.361   32.162 3.281311 46.12101 
1 1 1    7    9   42 o   56.923   25.020   0.6394   7.1216   0.1457   9.6148   1.2395   10.600   63.078   28.314   66.994   29.924 -3.915432 41.19577 
1 1 1    7    9   43 o  102.491   28.692   17.578   7.9189   27.519   11.185   7.5881   11.213  123.432   33.932   77.145   32.608 46.28735 47.06021 
1 1 1    7    9   44 o   89.960   29.862   14.030   8.1232   23.376   11.414   4.4363   11.564  109.983   35.327   71.594   31.656 38.38957 47.43511 
1 1 1    7    9   45 o   84.846   29.746   12.713   8.0799   9.4937   11.775   15.577   11.107   78.191   33.250   89.723   34.291 -11.53159 47.76427 
1 1 1    7    9   46 o   53.013   24.629  -2.2235   8.1421   0.2126   11.545  -4.6340   11.484   63.456   29.428   58.291   27.741 5.165787 40.44226 
1 1 1    7   10    0 f  437.775   12.935  249.000   14.668   0.0000   0.0000  249.000   14.668  ?   ?   437.775   12.935 0.000000 12.93537 
1 1 1    7   10    1 o  724.791   19.925  685.400   37.408  685.400   37.408   0.0000   0.0000  724.791   19.925  ?   ?  0.000000 19.92531 
1 1 1    7   10    2 f  682.405   9.9159  604.174   17.528  600.614   24.791  607.731   24.785  679.791   14.079  683.822   13.993 -4.030518 19.84940 
1 1 1    7   10    3 o  464.510   9.2267  279.852   11.102  249.987   15.311  312.962   16.121  438.672   13.474  490.911   12.678 -52.23868 18.50084 
1 1 1    7   10    4 o  483.393   13.009  303.435   16.289   0.0000   0.0000  303.435   16.289  ?   ?   483.393   13.009 0.000000 13.00871 
1 1 1    7   10    5 o  756.659   10.324  742.647   20.235  752.902   29.031  732.956   28.220  761.266   14.722  751.149   14.504 10.11768 20.66650 
1 1 1    7   10    6 o  217.433   25.258   62.550   13.961   62.550   13.961   0.0000   0.0000  217.433   25.258  ?   ?  0.000000 25.25764 
1 1 1    7   10    7 o  170.614   20.228   38.410   8.7655   42.750   12.537   34.260   12.260  178.756   27.996  159.096   30.863 19.66016 41.66876 
1 1 1    7   10    8 o  563.983   11.244  412.541   16.426  400.474   19.775  439.400   29.502  555.480   13.743  581.217   19.596 -25.73688 23.93477 
1 1 1    7   10    9 o  161.301   14.532   34.046   6.0066   41.887   8.9178   27.534   8.1265  178.408   19.621  143.711   22.575 34.69691 29.91017 
1 1 1    7   10   10 o  509.467   9.6873  336.488   12.784  338.783   18.333  334.316   17.836  510.944   13.852  507.585   13.565 3.359344 19.38822 
1 1 1    7   10   11 o  900.479   11.445  1051.58   26.695  1067.86   38.397  1036.34   37.140  906.803   16.347  893.359   16.050 13.44318 22.90879 
1 1 1    7   10   12 o  479.464   11.942  298.164   14.832  294.900   25.754  299.784   18.142  476.129   20.882  480.595   14.574 -4.466736 25.46423 
1 1 1    7   10   13 o   73.465   26.293   5.9682   6.3414  -1.7650   14.880   7.6845   7.0099   84.993   36.775   80.535   27.736 4.457756 46.06168 
1 1 1    7   10   14 o  224.771   12.883   65.766   7.4694   43.950   15.394   72.483   8.5423  180.181   34.236  235.900   14.043 -55.71921 37.00399 
1 1 1    7   10   15 o   81.488   27.756   7.9961   7.0158   5.6690   13.066   8.9389   8.3165   91.595   36.546   87.104   30.198 4.491135 47.40863 
1 1 1    7   10   16 o  261.386   16.334   89.127   11.004   85.710   17.503   91.360   14.150  254.714   26.936  264.066   20.857 -9.352356 34.06746 
1 1 1    7   10   17 o  538.857   10.123  376.591   14.130  400.900   29.286  369.214   16.132  554.803   20.379  533.431   11.675 21.37201 23.48619 
1 1 1    7   10   18 o  453.476   10.323  266.754   12.126  245.200   24.386  273.834   13.976  433.056   21.809  459.348   11.746 -26.29156 24.77108 
1 1 1    7   10   19 o  603.603   10.465  472.708   16.363  492.900   33.754  466.505   18.708  614.672   21.200  599.456   12.048 15.21509 24.38404 
1 1 1    7   10   20 o  284.490   14.189  105.202   10.456   0.0000   0.0000  105.202   10.456  ?   ?   284.490   14.189 0.000000 14.18898 
1 1 1    7   10   21 o  177.190   21.976   41.665   9.8701   12.420   17.141   56.170   12.072  112.261   42.671  205.923   23.027 -93.66253 48.48729 
1 1 1    7   10   22 o  439.058   10.124  250.248   11.514  244.745   16.600  255.350   15.984  433.637   14.778  443.054   13.928 -9.417053 20.30707 
1 1 1    7   10   23 o  264.228   11.390   90.728   7.7953   90.988   11.457   90.504   10.637  263.550   16.871  263.047   15.683 0.5034180 23.03430 
1 1 1    7   10   24 o  254.935   11.944   84.539   7.8876   90.900   11.792   79.389   10.611  263.157   17.397  245.979   16.753 17.17761 24.15205 
1 1 1    7   10   25 o  189.102   14.286   46.915   6.9461   43.477   10.346   49.737   9.3728  180.217   22.663  193.831   18.909 -13.61429 29.51567 
1 1 1    7   10   26 o  244.868   12.024   78.144   7.6264   86.496   11.503   71.592   10.187  256.178   17.438  233.063   16.992 23.11426 24.34772 
1 1 1    7   10   27 o  246.240   14.526   79.640   9.2241   79.380   11.496   80.110   15.455  244.856   18.257  243.773   24.821 1.083603 30.81249 
1 1 1    7   10   28 o  218.948   15.966   63.337   8.9926   80.660   18.238   57.772   10.336  241.820   29.743  208.069   19.402 33.75070 35.51216 
1 1 1    7   10   29 o  220.231   13.063   63.740   7.4185   58.712   10.663   68.456   10.328  209.322   19.905  226.918   17.711 -17.59619 26.64392 
1 1 1    7   10   30 o   53.492   23.387  -0.9206   6.1505   1.8930   10.110  -2.5738   7.7494   73.441   30.999   57.244   25.576 16.19788 40.18760 
1 1 1    7   10   31 o  349.845   12.699  160.637   11.508  175.537   14.512  135.400   18.887  364.595   15.367  315.578   23.269 49.01718 27.88510 
1 1 1    7   10   32 o   91.452   25.433   11.853   6.2436   17.322   8.9785   6.7317   8.6883  109.150   30.550   79.029   30.298 30.12102 43.02636 
1 1 1    7   10   33 o  107.400   24.201   16.438   6.5712   10.133   9.1588   23.128   9.4334   87.965   31.586  125.632   29.493 -37.66707 43.21444 
1 1 1    7   10   34 o  136.455   19.841   25.726   6.8077   22.662   9.8368   28.542   9.4310  122.986   30.913  140.486   26.896 -17.50011 40.97559 
1 1 1    7   10   35 o  132.099   20.271   24.331   6.7146   25.842   9.9170   23.053   9.1242  131.270   29.841  124.328   28.884 6.942856 41.53020 
1 1 1    7   10   36 f  158.714   17.907   34.582   7.2331   31.227   10.761   37.346   9.7686  143.888   29.852  161.525   24.084 -17.63644 38.35571 
1 1 1    7   10   37 o   67.832   27.221   4.4107   7.2933   2.4834   9.0253   8.0380   12.382   68.391   29.097   85.691   35.069 -17.29992 45.56833 
1 1 1    7   10   38 o  104.874   28.072   16.876   7.7770   12.670   16.767   18.028   8.7783   97.453   40.438  107.307   30.269 -9.853706 50.51200 
1 1 1    7   10   39 o   51.063   23.262  -2.6286   6.7816 -12.2442   10.015   5.5123   9.2155   51.412   24.838   73.588   30.201 -22.17615 39.10326 
1 1 1    7   10   40 o  176.591   24.396   46.423   10.861   43.380   14.621   50.170   16.224  158.473   36.386  168.889   38.004 -10.41559 52.61404 
1 1 1    7   10   41 o   62.500   25.869   3.5640   6.8368   5.3697   10.280   2.1320   9.1549   73.399   31.134   65.448   28.576 7.951317 42.26063 
1 1 1    7   10   42 o  150.377   22.826   34.053   8.6120   27.932   12.411   39.738   11.960  121.901   36.470  154.017   31.051 -32.11586 47.89792 
1 1 1    7   10   43 o  114.564   29.038   22.136   8.6285   19.393   12.264   24.825   12.142   99.840   36.449  112.846   36.456 -13.00571 51.55167 
1 1 1    7   10   44 o  100.828   29.473   17.797   8.1827   23.423   12.108   13.066   11.102  107.450   36.464   85.373   33.806 22.07644 49.72352 
1 1 1    7   10   45 o   65.837   27.559   5.3721   7.8852   0.1662   10.987   10.902   11.323   63.145   29.079   79.496   33.130 -16.35118 44.08126 
1 1 1    7   10   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   11    0 o  1094.86   12.535  1556.20   35.550  1579.22   51.049  1534.52   49.535  1101.59   17.890  1085.96   17.609 15.62085 25.10278 
1 1 1    7   11    1 o  194.080   17.879   49.424   8.8874   53.800   12.173   44.430   13.005  201.614   23.766  182.020   28.521 19.59386 37.12489 
1 1 1    7   11    2 o  624.189   20.031  507.500   32.387   0.0000   0.0000  507.500   32.387  ?   ?   624.189   20.031 0.000000 20.03127 
1 1 1    7   11    3 o  252.839   16.070   83.419   10.470   74.430   14.848   92.310   14.767  237.530   24.483  265.256   21.682 -27.72598 32.70302 
1 1 1    7   11    4 o  803.689   12.459  838.240   25.936  906.378   33.334  733.700   41.288  835.273   15.407  750.472   21.239 84.80066 26.23876 
1 1 1    7   11    5 o  632.394   11.460  518.791   18.772  513.868   22.854  529.000   32.912  629.135   14.024  637.552   19.929 -8.416931 24.36919 
1 1 1    7   11    6 o  498.236   9.5131  321.844   12.277  332.015   17.725  312.463   17.022  505.777   13.529  490.669   13.393 15.10767 19.03719 
1 1 1    7   11    7 o  583.034   13.956  441.210   21.076  441.210   21.076   0.0000   0.0000  583.034   13.956  ?   ?  0.000000 13.95568 
1 1 1    7   11    8 o  349.399   10.153  158.286   9.1892  156.937   13.081  159.600   12.912  347.706   14.523  350.661   14.216 -2.954956 20.32252 
1 1 1    7   11    9 o  451.393   14.324  264.461   16.748  264.461   16.748   0.0000   0.0000  451.393   14.324  ?   ?  0.000000 14.32358 
1 1 1    7   11   10 o  564.288   10.233  412.850   14.957  421.672   21.554  404.657   20.773  569.966   14.599  558.368   14.363 11.59808 20.47980 
1 1 1    7   11   11 o  607.014   10.654  477.782   16.753  477.904   24.091  477.667   23.312  606.709   15.329  606.606   14.836 0.1034546 21.33290 
1 1 1    7   11   12 o  770.964   11.237  770.853   22.440  768.385   31.950  773.257   31.524  769.193   16.036  771.662   15.771 -2.469177 22.49156 
1 1 1    7   11   13 o  462.318   12.019  277.270   14.393  203.800   24.213  317.415   17.898  394.731   23.792  494.516   13.973 -99.78537 27.59165 
1 1 1    7   11   14 o  512.620   13.913  341.122   18.475  328.100   27.055  352.500   25.289  502.029   20.805  520.611   18.753 -18.58249 28.00926 
1 1 1    7   11   15 o  159.891   18.205   33.676   7.4055   28.490   14.915   35.372   8.5314  144.487   38.962  163.550   20.595 -19.06367 44.06997 
1 1 1    7   11   16 o  188.451   14.638   46.407   7.0894   45.750   15.952   46.569   7.9138  183.518   34.832  188.572   16.364 -5.053772 38.48396 
1 1 1    7   11   17 o  797.174   11.021  824.536   22.758  807.300   45.295  830.357   26.322  786.624   22.229  799.745   12.706 -13.12073 25.60458 
1 1 1    7   11   18 o  469.448   10.481  285.937   12.744  249.600   25.535  297.991   14.707  436.607   22.656  479.123   11.850 -42.51599 25.56832 
1 1 1    7   11   19 o  656.791   10.745  559.849   18.281  567.400   37.777  557.540   20.889  659.008   22.130  655.225   12.308 3.782837 25.32272 
1 1 1    7   11   20 o  129.147   29.548   22.829   9.6704   0.0000   0.0000   22.829   9.6704  ?   ?   129.147   29.548 0.000000 29.54775 
1 1 1    7   11   21 o  632.655   10.726  519.711   17.578  476.900   34.603  534.601   20.407  603.536   22.134  641.399   12.283 -37.86322 25.31350 
1 1 1    7   11   22 o  561.235   10.652  409.124   15.485  404.000   30.990  410.829   17.877  555.258   21.546  562.140   12.277 -6.881409 24.79855 
1 1 1    7   11   23 o  211.998   15.899   58.960   8.6675   71.190   18.112   55.328   9.8711  229.257   31.319  204.792   18.819 24.46532 36.53769 
1 1 1    7   11   24 o  114.123   22.200   17.717   6.3264   17.659   9.3074   17.766   8.6253  113.077   30.898  113.358   29.197 -0.2811737 42.51035 
1 1 1    7   11   25 o   73.815   25.387   6.6590   5.8719   5.6716   8.7147   7.4800   7.9467   78.414   30.271   81.126   29.382 -2.712036 42.18563 
1 1 1    7   11   26 o   96.647   24.360   12.918   6.0965   5.7189   9.2498   18.448   8.1065   79.713   31.070  115.040   27.565 -35.32705 41.53510 
1 1 1    7   11   27 o  129.262   31.058   23.660   10.269   37.530   16.353   14.630   13.195  160.340   39.607  107.041   37.968 53.29901 54.86596 
1 1 1    7   11   28 o   87.583   25.850   10.560   6.2678   18.608   9.0488   3.1380   8.6900  114.499   30.109   71.823   29.385 42.67676 42.07172 
1 1 1    7   11   29 o  136.283   18.631   25.068   6.4046   23.610   8.9949   26.567   9.1213  129.326   27.687  137.777   26.521 -8.451508 38.33922 
1 1 1    7   11   30 o  275.486   15.851  100.572   11.263  106.200   15.796   94.750   16.065  280.270   21.933  263.673   23.777 16.59610 32.34834 
1 1 1    7   11   31 o   53.811   23.135   0.0322   5.8146  -3.1750   8.5067   2.8446   7.9659   58.915   26.522   68.149   28.037 -9.233166 38.59412 
1 1 1    7   11   32 o  288.576   11.602  109.343   8.6722  114.654   12.666  104.656   11.899  292.906   16.763  279.949   16.482 12.95721 23.50859 
1 1 1    7   11   33 o  290.682   11.750  111.210   8.8473  114.444   12.808  108.258   12.235  291.893   17.014  284.054   16.703 7.838837 23.84200 
1 1 1    7   11   34 o  144.399   18.602   28.639   6.7962   33.515   9.7376   24.008   9.4896  152.864   25.490  126.896   29.440 25.96819 38.94154 
1 1 1    7   11   35 o  113.516   23.076   18.525   6.5540   13.542   9.5868   22.898   8.9805   95.644   32.446  123.635   28.609 -27.99039 43.25803 
1 1 1    7   11   36 o  162.054   17.510   36.043   7.2333   38.523   10.491   33.796   9.9862  162.602   25.768  151.735   26.364 10.86690 36.86555 
1 1 1    7   11   37 o   65.636   29.264  -0.7721   10.088  -6.1140   16.062   2.7080   12.964   74.186   34.508   77.735   33.972 -3.549255 48.42423 
1 1 1    7   11   38 o   84.776   27.244   10.780   6.7878   19.969   10.402   3.9657   8.9578  110.508   33.462   70.193   29.378 40.31532 44.52837 
1 1 1    7   11   39 o   64.725   25.167   4.8490   6.0574   9.9360   9.9116   1.8164   7.6528   83.656   32.286   61.874   26.570 21.78206 41.81312 
1 1 1    7   11   40 o  150.373   25.328   34.412   9.5150   27.370   11.779   47.640   16.143  124.887   35.004  161.650   39.001 -36.76259 52.40556 
1 1 1    7   11   41 o   98.348   29.132   16.044   7.9482   31.973   11.823   2.9095   10.736  135.040   33.862   69.634   30.660 65.40555 45.68060 
1 1 1    7   11   42 o   76.279   29.059   8.8504   7.9611   8.3285   11.143   9.3945   11.378   78.145   32.740   80.276   33.311 -2.130684 46.70713 
1 1 1    7   11   43 o  137.533   23.249   29.222   7.9872   34.180   12.043   25.329   10.672  136.242   34.183  116.941   33.509 19.30095 47.86756 
1 1 1    7   11   44 o   81.803   29.940   11.677   8.2824   12.003   11.881   11.369   11.552   82.455   34.113   81.241   33.626 1.214355 47.90027 
1 1 1    7   11   45 o   77.083   29.677   10.428   8.3585   6.9952   11.932   13.736   11.713   72.660   32.141   83.516   34.136 -10.85612 46.88572 
1 1 1    7   12    0 o  355.592   9.8805  163.969   9.1009  163.259   12.979  164.655   12.765  354.594   14.130  356.125   13.838 -1.530792 19.77756 
1 1 1    7   12    1 o  710.960   10.284  655.516   18.939  671.722   27.420  640.730   26.190  719.198   14.719  702.452   14.393 16.74573 20.58650 
1 1 1    7   12    2 o  663.868   11.507  571.722   19.788  569.000   34.003  573.116   24.332  661.231   19.852  664.403   14.138 -3.172119 24.37229 
1 1 1    7   12    3 o  342.759   11.344  152.392   10.071  164.100   17.535  146.629   12.303  354.668   19.158  336.073   14.133 18.59579 23.80693 
1 1 1    7   12    4 o  456.676   9.6702  270.401   11.439  263.554   16.267  277.100   16.090  450.593   13.937  462.063   13.443 -11.47021 19.36360 
1 1 1    7   12    5 f  579.385   9.8070  435.238   14.718  439.002   21.049  431.637   20.588  581.560   13.973  576.678   13.782 4.881409 19.62644 
1 1 1    7   12    6 o  404.391   14.199  212.268   14.873  212.268   14.873   0.0000   0.0000  404.391   14.199  ?   ?  0.000000 14.19907 
1 1 1    7   12    7 o  482.943   9.9665  302.397   12.468  275.664   17.274  331.468   18.014  460.828   14.471  505.379   13.760 -44.55069 19.96899 
1 1 1    7   12    8 o  589.190   10.284  450.113   15.695  450.309   22.427  449.925   21.971  588.971   14.700  588.747   14.407 0.2239990 20.58293 
1 1 1    7   12    9 o  756.641   11.017  742.440   21.593  763.029   31.340  723.833   29.793  766.541   15.784  746.640   15.405 19.90143 22.05523 
1 1 1    7   12   10 o  577.833   10.949  432.997   16.389  429.424   23.482  436.391   22.883  575.046   15.764  579.742   15.238 -4.696716 21.92544 
1 1 1    7   12   11 o  773.226   11.185  775.417   22.403  748.922   31.472  802.633   31.897  759.351   16.000  786.155   15.664 -26.80450 22.39099 
1 1 1    7   12   12 o  228.160   16.235   67.967   9.5326   26.780   17.141   86.409   11.470  141.733   42.964  257.273   17.312 -115.5396 46.32045 
1 1 1    7   12   13 o  272.472   16.738   96.846   11.756  100.300   18.781   94.620   15.075  275.836   26.616  268.627   21.854 7.209412 34.43826 
1 1 1    7   12   14 o  211.759   13.862   58.472   7.5616   54.600   16.992   59.428   8.4438  201.199   33.802  213.326   15.384 -12.12682 37.13792 
1 1 1    7   12   15 o  187.963   14.878   46.185   7.1848   63.060   16.663   42.331   7.9631  217.211   30.452  179.584   17.334 37.62650 35.03981 
1 1 1    7   12   16 o  400.465   10.679  208.066   11.078  215.600   23.746  205.970   12.524  405.800   22.681  398.342   12.138 7.457794 25.72508 
1 1 1    7   12   17 o  813.642   11.197  859.185   23.598  859.600   47.984  859.052   27.102  811.192   22.836  813.310   12.865 -2.118164 26.21062 
1 1 1    7   12   18 o  317.464   11.927  130.866   9.8078  103.200   20.795  138.781   11.123  278.675   29.244  326.834   13.138 -48.15851 32.05960 
1 1 1    7   12   19 o  519.502   15.204  351.150   20.460   0.0000   0.0000  351.150   20.460  ?   ?   519.502   15.204 0.000000 15.20441 
1 1 1    7   12   20 o  320.468   11.558  133.406   9.5947  119.600   20.498  137.279   10.858  300.408   26.617  324.970   12.899 -24.56158 29.57799 
1 1 1    7   12   21 o  492.011   10.716  314.423   13.657  325.700   28.532  311.072   15.554  498.442   22.099  489.164   12.276 9.278107 25.27925 
1 1 1    7   12   22 o  215.522   14.963   60.831   8.3017   57.470   18.355   61.696   9.3083  204.183   36.020  216.762   16.707 -12.57883 39.70611 
1 1 1    7   12   23 o  488.581   10.758  310.361   13.615  300.000   27.710  313.659   15.633  477.299   22.413  490.881   12.294 -13.58188 25.56321 
1 1 1    7   12   24 o  226.143   14.380   67.039   8.3796   67.540   18.809   66.915   9.3598  221.193   33.910  225.586   16.124 -4.393372 37.54847 
1 1 1    7   12   25 o  188.016   14.569   46.507   7.0398   48.354   10.271   44.870   9.6683  190.126   21.216  183.199   20.739 6.927643 29.66912 
1 1 1    7   12   26 o  203.774   22.827   55.932   11.842   78.800   19.058   41.550   15.114  238.510   31.627  170.693   35.347 67.81674 47.43076 
1 1 1    7   12   27 o  128.981   20.889   22.648   6.7403   11.981   9.8452   32.059   9.2472   95.849   32.878  152.911   24.148 -57.06186 40.79342 
1 1 1    7   12   28 o  212.930   13.793   59.740   7.5668   58.225   10.888   61.154   10.524  208.094   20.463  213.764   19.211 -5.669418 28.06805 
1 1 1    7   12   29 o  115.069   21.711   18.299   6.2339   26.733   9.3019   11.422   8.3993  137.755   27.034   91.855   30.360 45.89945 40.65126 
1 1 1    7   12   30 o  318.849   14.328  134.025   11.834  174.000   18.069  104.000   15.660  360.183   19.439  276.824   22.021 83.35922 29.37302 
1 1 1    7   12   31 o  238.298   12.932   74.967   7.9525   87.917   11.915   64.564   10.679  255.868   18.094  218.660   19.045 37.20792 26.26984 
1 1 1    7   12   32 o   83.761   25.413   9.9001   5.9953   9.7822   8.4885   10.018   8.4687   85.914   30.454   86.532   30.446 -0.6179123 43.06333 
1 1 1    7   12   33 f  153.241   17.972   32.043   6.9983   35.603   10.213   28.891   9.6091  157.616   25.915  140.931   27.309 16.68433 37.64778 
1 1 1    7   12   34 o   68.439   25.774   5.4475   6.2180   18.479   9.2752  -5.1898   8.3800  110.085   31.135   54.442   25.186 55.64298 40.04641 
1 1 1    7   12   35 o  198.455   22.417   55.577   11.321   55.577   11.321   0.0000   0.0000  198.455   22.417  ?   ?  0.000000 22.41667 
1 1 1    7   12   36 o  169.731   20.209   40.363   8.7102   39.770   10.939   41.390   14.397  164.136   26.643  160.065   35.640 4.071411 44.49784 
1 1 1    7   12   37 o  125.757   26.724   23.865   8.4369   25.560   17.346   23.339   9.6559  118.636   43.343  121.713   30.646 -3.076797 53.08314 
1 1 1    7   12   38 o   50.365   22.587  -1.4227   6.1045  -3.0808   7.9589   0.9467   9.5140   54.670   25.018   65.758   28.910 -11.08855 38.23221 
1 1 1    7   12   39 o   65.311   28.975   0.7182   9.7673  -9.5730   13.737   11.240   13.890   63.503   30.254   89.004   36.859 -25.50089 47.68491 
1 1 1    7   12   40 o   73.115   28.275   7.3269   7.6137   26.039   11.180  -8.8579   10.398  121.523   34.117   54.628   26.107 66.89438 42.96013 
1 1 1    7   12   41 o   94.927   29.226   15.160   7.8918   23.445   11.209   7.0158   11.113  112.621   34.856   76.200   32.350 36.42074 47.55483 
1 1 1    7   12   42 f   81.869   29.195   11.138   7.8123   22.985   11.550   1.1482   10.607  108.955   35.582   65.409   29.515 43.54522 46.22972 
1 1 1    7   12   43 o   48.919   23.218  -5.7132   7.9390  -0.8960   11.401 -10.2478   11.062   63.590   29.403   53.551   25.927 10.03910 39.20187 
1 1 1    7   12   44 o   55.336   25.154  -0.3519   7.8755  -6.0646   10.867   5.9672   11.429   56.041   26.757   71.387   31.523 -15.34666 41.34748 
1 1 1    7   12   45 o   69.319   29.339   7.1282   9.0967   5.2803   11.336   10.470   15.245   68.624   30.777   77.724   35.199 -9.099594 46.75682 
1 1 1    7   13    0 o  697.832   10.305  631.481   18.627  631.053   26.476  631.900   26.212  697.153   14.661  697.639   14.505 -0.4859619 20.62397 
1 1 1    7   13    1 o  490.269   9.8641  311.659   12.527  300.823   17.619  322.736   17.814  481.385   14.130  498.637   13.792 -17.25195 19.74522 
1 1 1    7   13    2 o  1005.45   13.803  1312.16   35.948  1278.00   60.674  1330.63   44.623  990.181   23.656  1011.92   17.024 -21.74146 29.14477 
1 1 1    7   13    3 o  895.270   13.062  1040.08   30.292  1044.00   52.290  1038.10   37.163  895.245   22.549  893.979   16.049 1.266724 27.67694 
1 1 1    7   13    4 o  511.411   13.896  339.469   18.409   0.0000   0.0000  339.469   18.409  ?   ?   511.411   13.896 0.000000 13.89638 
1 1 1    7   13    5 o  565.735   10.120  414.992   14.830  407.516   20.883  422.596   21.063  560.292   14.389  570.577   14.251 -10.28503 20.25188 
1 1 1    7   13    6 o  580.095   10.254  436.336   15.408  440.152   22.059  432.702   21.531  582.277   14.625  577.349   14.397 4.927917 20.52243 
1 1 1    7   13    7 o  654.678   10.761  555.813   18.249  535.484   25.438  577.367   26.194  642.177   15.293  666.833   15.165 -24.65564 21.53670 
1 1 1    7   13    8 o  1009.93   12.479  1323.28   32.646  1341.05   46.779  1306.40   45.582  1015.79   17.779  1002.62   17.551 13.16290 24.98237 
1 1 1    7   13    9 o  300.506   13.290  117.191   10.345  117.009   15.178  117.349   14.137  299.278   19.689  299.890   18.286 -0.6123657 26.87045 
1 1 1    7   13   10 f  356.546   15.567  165.113   14.377  177.800   21.770  155.300   19.146  368.685   22.909  344.679   21.552 24.00595 31.45320 
1 1 1    7   13   11 o  286.968   16.427  107.357   12.160   88.810   18.238  122.200   16.316  259.230   27.585  305.670   20.729 -46.43988 34.50551 
1 1 1    7   13   12 o  382.045   15.202  189.604   15.044   0.0000   0.0000  189.604   15.044  ?   ?   382.045   15.202 0.000000 15.20152 
1 1 1    7   13   13 o  198.383   16.078   51.486   8.1908   57.952   12.323   46.368   10.963  209.522   23.089  187.141   23.106 22.38120 32.66507 
1 1 1    7   13   14 o  533.512   12.247  369.458   16.925  366.300   29.663  370.982   20.609  529.997   21.607  534.331   14.890 -4.333618 26.24033 
1 1 1    7   13   15 o  879.545   11.506  1004.02   26.215  1001.00   53.086  1004.99   30.147  875.365   23.412  879.677   13.230 -4.311523 26.89171 
1 1 1    7   13   16 o  487.614   10.672  308.542   13.480  337.900   29.233  300.614   15.191  508.649   22.187  481.166   12.189 27.48328 25.31460 
1 1 1    7   13   17 o  554.068   10.620  398.433   15.243  351.800   31.092  413.187   17.488  518.607   23.145  564.074   11.969 -45.46741 26.05673 
1 1 1    7   13   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   13   19 o  113.029   25.705   17.446   7.3558 -21.0500   16.648   26.784   8.1995   69.737   33.247  141.165   23.232 -71.42796 40.55947 
1 1 1    7   13   20 o  106.876   26.119   15.638   7.1695   31.580   16.876   12.127   7.9196  150.518   41.798   95.556   29.254 54.96234 51.01768 
1 1 1    7   13   21 o  464.908   10.797  280.868   13.002  255.500   26.285  289.086   14.960  440.212   23.132  471.434   12.251 -31.22205 26.17619 
1 1 1    7   13   22 o  398.702   11.171  206.731   11.537  219.100   24.265  203.118   13.114  407.104   23.106  394.946   12.819 12.15778 26.42330 
1 1 1    7   13   23 o  137.223   21.007   25.344   7.2291   8.4690   17.602   28.768   7.9287  104.795   42.205  146.242   21.579 -41.44632 47.40204 
1 1 1    7   13   24 o  279.719   13.297  102.157   9.6346   76.780   21.669  108.410   10.756  233.941   36.988  287.584   14.486 -53.64241 39.72332 
1 1 1    7   13   25 f  213.597   22.712   61.340   12.373   45.830   20.319   70.480   15.599  175.770   44.566  227.482   26.999 -51.71155 52.10622 
1 1 1    7   13   26 o  272.259   13.145   97.022   9.2700  109.800   19.882   93.473   10.479  283.557   27.411  266.332   15.253 17.22470 31.36846 
1 1 1    7   13   27 o  175.339   15.436   40.770   6.9394   40.604   9.8921   40.930   9.7372  172.711   22.658  173.592   22.160 -0.8808746 31.69350 
1 1 1    7   13   28 o  368.172   10.871  177.147   10.368  171.997   15.244  181.578   14.142  360.763   16.313  371.372   14.701 -10.60901 21.95980 
1 1 1    7   13   29 o  207.069   18.961   57.665   10.057   64.780   14.169   50.440   14.278  216.330   25.795  188.293   30.302 28.03635 39.79416 
1 1 1    7   13   30 o  114.938   22.778   18.508   6.5418   22.739   9.2645   14.301   9.2385  125.281   29.105  100.093   31.744 25.18784 43.06682 
1 1 1    7   13   31 o   78.265   26.310   8.2266   6.3030   10.548   9.2937   6.2498   8.5769   89.208   31.840   77.104   29.956 12.10403 43.71660 
1 1 1    7   13   32 o  217.670   14.143   63.132   7.9310   71.554   11.614   55.774   10.856  228.819   19.790  201.080   21.160 27.73923 28.97278 
1 1 1    7   13   33 o   73.223   25.026   7.2191   5.7036   9.5880   7.6061   4.1757   8.6212   83.272   28.879   71.496   29.262 11.77695 41.11289 
1 1 1    7   13   34 o  145.695   19.558   29.540   7.1947   42.108   10.955   20.008   9.5405  170.536   25.590  113.785   31.362 56.75111 40.47694 
1 1 1    7   13   35 o  254.080   13.041   86.228   8.5540   88.751   12.251   83.829   11.949  253.723   18.774  246.489   18.858 7.233932 26.60977 
1 1 1    7   13   36 o   75.784   29.868   6.7337   8.6279  -1.3020   16.427   9.7949   10.139   79.301   36.156   85.082   32.703 -5.781296 48.75188 
1 1 1    7   13   37 o  154.192   19.233   33.494   7.5146   37.258   10.823   29.991   10.441  156.440   27.725  138.196   30.027 18.24434 40.86873 
1 1 1    7   13   38 o  197.348   22.802   56.864   11.442   0.0000   0.0000   56.864   11.442  ?   ?   197.348   22.802 0.000000 22.80216 
1 1 1    7   13   39 o   68.606   29.531   3.4613   9.4945   3.1170   13.256   3.8240   13.605   75.246   33.547   76.730   34.112 -1.484200 47.84378 
1 1 1    7   13   40 o   38.144   18.889 -13.7105   6.9715  -9.8845   10.302 -16.9432   9.4693   52.989   25.497   44.716   22.120 8.273369 33.75475 
1 1 1    7   13   41 o   68.381   27.722   5.9170   7.6482  -4.2382   11.347   14.371   10.353   60.718   28.491   89.708   33.360 -28.98998 43.87057 
1 1 1    7   13   42 o   58.230   25.727   1.2832   7.6231   3.1696   10.290  -1.0110   11.349   67.097   29.756   63.578   29.376 3.519588 41.81321 
1 1 1    7   13   43 o   79.427   29.409   10.906   8.0289   1.4267   11.152   21.106   11.569   65.230   29.760  100.987   35.579 -35.75663 46.38468 
1 1 1    7   13   44 o   72.594   27.874   8.8106   7.3606   16.171   12.189   4.5863   9.2342   87.299   35.135   65.490   28.644 21.80868 45.33172 
1 1 1    7   14    0 o  755.886   10.850  741.009   21.244  722.229   29.724  760.622   30.375  745.734   15.387  765.308   15.322 -19.57379 21.71525 
1 1 1    7   14    1 o  762.022   10.848  753.084   21.413  739.597   30.071  766.959   30.499  754.652   15.383  768.493   15.321 -13.84119 21.71139 
1 1 1    7   14    2 o  831.682   11.238  897.146   24.211  889.236   34.363  904.945   34.117  827.388   16.033  834.703   15.779 -7.314697 22.49573 
1 1 1    7   14    3 o  351.529   12.738  160.342   11.598  159.500   19.846  160.779   14.293  349.276   22.049  351.840   15.683 -2.563171 27.05792 
1 1 1    7   14    4 o  618.832   12.189  496.823   19.538  473.300   33.024  509.491   24.235  602.979   21.143  626.406   14.936 -23.42651 25.88666 
1 1 1    7   14    5 o  417.747   13.004  226.458   14.072  192.500   23.628  245.124   17.518  383.544   23.902  434.441   15.567 -50.89615 28.52390 
1 1 1    7   14    6 o  460.445   13.051  275.125   15.566  287.500   26.580  268.665   19.204  469.855   21.839  454.757   16.303 15.09875 27.25285 
1 1 1    7   14    7 o  648.005   14.830  545.255   24.892  544.300   35.295  546.200   35.111  646.587   21.074  647.738   20.926 -1.151062 29.69843 
1 1 1    7   14    8 o  517.336   15.003  347.574   20.105  277.500   27.234  431.500   29.804  461.436   22.785  575.816   19.982 -114.3798 30.30577 
1 1 1    7   14    9 o  399.864   20.401  208.700   21.060   0.0000   0.0000  208.700   21.060  ?   ?   399.864   20.401 0.000000 20.40055 
1 1 1    7   14   10 o  608.279   10.550  479.911   16.622  460.058   23.387  500.179   23.630  595.101   15.172  620.564   14.700 -25.46350 21.12539 
1 1 1    7   14   11 o  533.498   10.677  369.206   14.755  360.323   21.278  377.436   20.480  526.571   15.600  539.036   14.667 -12.46417 21.41225 
1 1 1    7   14   12 o  973.740   12.142  1230.66   30.625  1248.74   44.101  1213.83   42.560  979.764   17.377  966.061   17.008 13.70331 24.31528 
1 1 1    7   14   13 o  878.682   11.706  1002.09   26.643  1031.20   38.844  976.230   36.613  890.341   16.843  866.404   16.314 23.93640 23.44876 
1 1 1    7   14   14 o  255.781   19.441   85.747   12.784   0.0000   0.0000   85.747   12.784  ?   ?   255.781   19.441 0.000000 19.44117 
1 1 1    7   14   15 o   87.922   27.644   10.039   7.0189   27.340   17.688   6.8053   7.6467  142.509   43.734   79.263   28.805 63.24643 52.36768 
1 1 1    7   14   16 o  104.119   26.593   14.773   7.1979 -29.6800   19.216   22.028   7.7631   71.239   34.414  127.619   24.373 -56.37981 42.17051 
1 1 1    7   14   17 o  773.416   15.855  778.828   31.763   0.0000   0.0000  778.828   31.763  ?   ?   773.416   15.855 0.000000 15.85488 
1 1 1    7   14   18 o  191.850   16.711   48.335   8.2215   53.300   19.641   47.280   9.0527  195.983   40.042  189.400   18.696 6.582550 44.19220 
1 1 1    7   14   19 o  237.228   13.982   73.506   8.5538   83.270   20.220   71.377   9.4402  248.367   32.186  233.499   15.699 14.86818 35.81039 
1 1 1    7   14   20 o  229.963   14.863   69.214   8.8061   68.510   19.630   69.392   9.8532  223.638   35.037  229.954   16.655 -6.315903 38.79383 
1 1 1    7   14   21 o  513.267   10.847  342.536   14.421  319.300   29.223  350.016   16.581  492.232   22.919  518.542   12.344 -26.30969 26.03235 
1 1 1    7   14   22 o  326.346   12.113  138.721   10.239  133.200   21.640  140.313   11.623  315.311   26.748  327.958   13.681 -12.64664 30.04354 
1 1 1    7   14   23 o   74.360   27.877   5.7206   7.2581   8.1570   17.809   5.2353   7.9482  104.088   42.265   75.023   28.924 29.06441 51.21466 
1 1 1    7   14   24 o  307.543   17.630  124.908   13.986  110.900   22.006  134.400   18.115  284.378   30.342  317.302   22.180 -32.92349 37.58418 
1 1 1    7   14   25 o  292.370   13.318  111.909   10.086   95.650   21.794  116.341   11.378  261.624   32.885  297.741   14.753 -36.11673 36.04306 
1 1 1    7   14   26 o  248.539   14.697   81.467   9.4197   55.460   20.652   88.299   10.585  192.271   42.588  258.400   15.891 -66.12878 45.45641 
1 1 1    7   14   27 f   71.535   27.575   5.0268   7.2239   27.310   18.077   0.7922   7.8804  135.133   44.533   63.890   27.186 71.24274 52.17502 
1 1 1    7   14   28 o  350.834   12.265  161.442   11.146  158.400   26.260  162.111   12.310  335.668   30.535  351.079   13.536 -15.41086 33.40129 
1 1 1    7   14   29 o  202.298   23.322   56.339   11.997   60.090   21.030   54.530   14.607  196.597   42.532  195.484   29.789 1.113266 51.92665 
1 1 1    7   14   30 o  179.324   16.265   43.143   7.4731   37.023   11.014   48.365   10.173  161.024   27.386  187.726   21.299 -26.70178 34.69296 
1 1 1    7   14   31 f  100.229   24.376   14.455   6.2676   16.899   9.1639   12.307   8.5912  106.506   31.206   92.825   30.706 13.68095 43.77980 
1 1 1    7   14   32 o   94.942   24.498   13.091   6.0649   12.916   9.9612   13.194   7.6452   94.712   33.038   94.634   28.695 0.7778931E-01 43.75932 
1 1 1    7   14   33 o   71.338   26.132   6.4123   6.3116   6.0179   9.6414   6.7080   8.3494   77.343   31.206   76.232   29.573 1.111618 42.99240 
1 1 1    7   14   34 o  104.207   24.543   16.014   6.5157   17.253   9.7496   15.015   8.7588  104.910   32.515   98.828   30.849 6.081863 44.82069 
1 1 1    7   14   35 o   78.419   31.832   6.6623   10.098   8.8960   16.077   5.2070   12.977   91.290   38.837   81.163   34.719 10.12649 52.09315 
1 1 1    7   14   36 o  156.643   17.213   33.986   6.8690   17.831   9.5917   50.994   9.8416  105.043   32.200  189.923   20.320 -84.88042 38.07559 
1 1 1    7   14   37 o  135.754   21.395   26.717   7.2745   21.961   11.510   29.879   9.3869  112.875   35.385  139.621   26.931 -26.74574 44.46790 
1 1 1    7   14   38 o   80.109   29.229   9.6539   7.8851   30.070   13.304  -1.4018   9.7900  128.096   37.620   61.928   28.110 66.16848 46.96177 
1 1 1    7   14   39 o   84.929   31.096   11.717   8.9354   15.788   11.400   5.2320   14.388   94.410   35.027   78.581   34.998 15.82939 49.51502 
1 1 1    7   14   40 o   93.123   29.382   14.778   7.9225   15.245   11.458   14.351   10.967   91.565   34.867   89.756   34.127 1.809372 48.78901 
1 1 1    7   14   41 o   82.473   29.211   11.537   7.8078  -0.6458   10.578   26.120   11.573   62.531   28.698  115.933   35.338 -53.40243 45.52337 
1 1 1    7   14   42 o   48.326   22.960  -5.6446   7.8032  -6.9976   11.366  -4.4385   10.732   56.796   27.184   57.812   27.306 -1.016453 38.53070 
1 1 1    7   14   43 o   71.287   27.682   8.1817   7.3212   0.9683   11.694   12.832   9.3891   64.710   29.871   82.682   31.544 -17.97175 43.44302 
1 1 1    7   14   44 o   51.650   24.177  -2.6077   8.0872   0.5301   9.3047 -12.3000   16.353   58.634   26.912   60.057   29.587 -1.422665 39.99594 
1 1 1    7   15    0 o  289.251   16.261  109.047   12.134  111.856   15.434  104.500   19.637  292.430   20.504  281.508   27.272 10.92288 34.11992 
1 1 1    7   15    1 o  695.349   12.850  627.468   23.146  593.005   27.937  702.900   41.332  675.619   15.964  734.603   21.721 -58.98419 26.95617 
1 1 1    7   15    2 o  713.351   12.897  660.391   23.831  674.704   30.160  636.600   38.884  720.628   16.157  699.140   21.471 21.48785 26.87138 
1 1 1    7   15    3 o  815.821   13.244  863.848   27.987  864.039   34.846  863.500   46.978  815.432   16.498  814.070   22.278 1.361633 27.72154 
1 1 1    7   15    4 o  629.888   14.718  515.234   24.014  516.000   34.334  514.500   33.600  629.481   21.057  628.633   20.634 0.8479004 29.48151 
1 1 1    7   15    5 o  166.248   21.125   36.564   8.8919   39.540   15.785   35.181   10.762  170.105   36.887  162.044   26.560 8.061386 45.45370 
1 1 1    7   15    6 o  273.281   13.097   96.938   9.2712   73.460   13.344  118.846   12.890  236.415   22.045  301.944   16.544 -65.52933 27.56264 
1 1 1    7   15    7 o  228.721   14.523   68.214   8.5597   51.156   12.506   83.248   11.741  196.357   25.168  252.344   18.081 -55.98735 30.98956 
1 1 1    7   15    8 o  819.014   11.278  870.279   23.927  865.989   34.054  874.462   33.626  816.256   16.106  820.289   15.826 -4.033752 22.58002 
1 1 1    7   15    9 o  949.694   12.024  1170.53   29.579  1171.39   42.237  1169.70   41.438  949.027   17.182  948.416   16.867 0.6108398 24.07732 
1 1 1    7   15   10 o  512.450   15.686  341.361   20.822  341.361   20.822   0.0000   0.0000  512.450   15.686  ?   ?  0.000000 15.68609 
1 1 1    7   15   11 o  810.080   11.431  851.660   23.986  873.615   34.930  832.068   32.997  819.556   16.454  799.938   15.924 19.61829 22.89788 
1 1 1    7   15   12 f  732.402   11.192  696.180   21.234  681.767   30.095  710.467   29.963  723.988   16.048  739.147   15.650 -15.15875 22.41522 
1 1 1    7   15   13 f  743.634   11.342  717.836   21.847  725.438   31.586  710.862   30.251  746.653   16.331  739.224   15.798 7.428101 22.72213 
1 1 1    7   15   14 o  230.846   16.535   69.725   9.8218   85.806   15.284   58.413   12.819  255.038   23.396  209.907   24.009 45.13058 33.52307 
1 1 1    7   15   15 o  382.909   14.310  190.689   14.193  180.200   26.481  194.916   16.812  369.082   27.905  386.829   16.778 -17.74695 32.56049 
1 1 1    7   15   16 o  313.436   17.312  128.467   14.001   0.0000   0.0000  128.467   14.001  ?   ?   313.436   17.312 0.000000 17.31154 
1 1 1    7   15   17 o  471.678   10.869  288.971   13.279  257.300   27.783  298.348   15.118  441.903   24.366  479.095   12.182 -37.19193 27.24180 
1 1 1    7   15   18 o   84.740   28.294   9.0087   7.2889   14.160   18.127   8.0153   7.9608  116.337   43.962   83.147   29.491 33.19028 52.93725 
1 1 1    7   15   19 o  352.507   11.524  161.581   10.522  143.900   22.902  166.313   11.847  328.649   27.145  357.465   12.794 -28.81546 30.00893 
1 1 1    7   15   20 o  325.569   12.150  137.973   10.246  115.700   23.048  143.459   11.439  292.690   30.866  331.811   13.309 -39.12140 33.61280 
1 1 1    7   15   21 o  160.486   19.924   34.373   8.1045   36.320   19.062   33.944   8.9540  158.803   44.537  158.861   22.380 -0.5801392E-01 49.84405 
1 1 1    7   15   22 o  211.327   15.765   58.817   8.5675   37.940   19.939   63.544   9.4881  160.996   45.690  219.455   16.819 -58.45859 48.68714 
1 1 1    7   15   23 o  195.420   25.006   51.852   12.367   29.320   20.123   65.530   15.678  142.751   46.982  218.703   28.341 -75.95226 54.86843 
1 1 1    7   15   24 o  198.996   16.914   52.545   8.6356   46.350   20.039   53.958   9.5699  175.748   44.092  201.185   18.573 -25.43642 47.84428 
1 1 1    7   15   25 o  235.920   15.244   73.540   9.2658   69.340   21.039   74.551   10.321  217.989   38.676  237.003   16.923 -19.01323 42.21641 
1 1 1    7   15   26 o   61.416   26.132   0.6762   7.2811 -31.2000   18.175   6.7698   7.9467   65.124   31.903   78.006   29.184 -12.88209 43.23802 
1 1 1    7   15   27 o  177.191   18.761   42.299   8.4798   36.210   19.791   43.668   9.3850  151.550   46.215  179.385   20.569 -27.83513 50.58601 
1 1 1    7   15   28 o  202.641   24.578   56.879   12.637   0.0000   0.0000   56.879   12.637  ?   ?   202.641   24.578 0.000000 24.57847 
1 1 1    7   15   29 o   54.794   23.925  -0.6024   6.4171   20.650   17.186  -4.0453   6.9174  118.389   43.159   50.789   23.272 67.59966 49.03368 
1 1 1    7   15   30 o  239.132   14.455   76.172   8.9118  103.500   21.042   70.199   9.8376  266.522   31.062  228.453   16.741 38.06862 35.28585 
1 1 1    7   15   31 o  209.570   18.262   59.844   9.8142   72.050   20.243   56.093   11.221  214.374   37.838  200.690   21.943 13.68439 43.73990 
1 1 1    7   15   32 o  102.622   25.317   15.498   6.6881   2.5939   9.2641   29.544   9.6654   69.672   29.555  141.440   27.371 -71.76803 40.28218 
1 1 1    7   15   33 o   52.140   23.313  -1.5510   6.4508   0.6706   9.3537  -3.5660   8.9083   66.052   28.861   58.096   26.541 7.956352 39.20974 
1 1 1    7   15   34 o  130.020   26.857   25.405   8.7458   35.789   11.180   9.0280   14.040  153.109   29.256   88.861   36.949 64.24787 47.12928 
1 1 1    7   15   35 o   61.792   27.000   0.6704   8.1869   4.2300   15.329  -0.7501   9.6837   82.972   36.579   63.897   28.567 19.07410 46.41224 
1 1 1    7   15   36 o   55.298   24.644  -0.8208   7.1466   12.686   10.657 -11.8596   9.6341   90.512   33.809   50.260   24.300 40.25286 41.63607 
1 1 1    7   15   37 o  133.855   21.162   26.138   7.0935   33.735   9.9055   18.140   10.163  147.676   26.885  103.065   33.359 44.61130 42.84444 
1 1 1    7   15   38 o  164.581   28.231   43.168   11.602   50.690   16.694   36.140   16.135  163.492   39.795  132.736   41.936 30.75516 57.81226 
1 1 1    7   15   39 o   55.215   24.858  -0.6298   7.4745   11.209   10.684 -11.9784   10.461   83.249   33.101   51.305   24.927 31.94440 41.43683 
1 1 1    7   15   40 o  118.507   26.677   23.020   7.9914   18.982   11.413   26.904   11.193   98.590   35.275  119.380   34.349 -20.79057 49.23569 
1 1 1    7   15   41 o   95.668   29.567   16.326   8.0687   12.316   12.376   19.290   10.641   83.119   34.637   98.951   34.168 -15.83176 48.65335 
1 1 1    7   15   42 o   44.358   21.171  -5.7254   6.7902  -4.1008   9.0641  -7.8030   10.250   53.420   25.190   52.744   25.393 0.6758881 35.76755 
1 1 1    7   15   43 f   68.632   28.487   7.1537   8.3242  -3.2557   11.760   17.607   11.785   59.410   28.215   89.312   34.998 -29.90178 44.95446 
1 1 1    7   15   44 o   76.634   33.303   12.050   12.310   18.570   18.290   6.6510   16.644   82.820   37.909   71.926   33.983 10.89408 50.91097 
1 1 1    7   16    0 o  525.086   10.830  357.657   14.730  347.608   21.081  367.242   20.590  517.205   15.735  531.697   14.950 -14.49207 21.70481 
1 1 1    7   16    1 o  621.079   10.799  500.376   17.374  498.521   24.869  502.144   24.282  619.411   15.500  621.711   15.078 -2.300720 21.62402 
1 1 1    7   16    2 o  537.645   10.696  374.962   14.896  368.963   21.137  380.880   20.995  532.893   15.312  541.469   14.969 -8.575500 21.41355 
1 1 1    7   16    3 o  486.076   10.785  306.494   13.579  282.077   19.327  330.299   19.083  465.864   16.016  504.263   14.610 -38.39893 21.67847 
1 1 1    7   16    4 o  497.704   10.881  321.352   14.028  309.613   20.140  332.414   19.550  488.069   15.930  505.831   14.921 -17.76199 21.82652 
1 1 1    7   16    5 o  471.832   12.154  288.942   14.855  262.300   24.829  303.795   18.539  448.568   21.368  483.562   14.801 -34.99454 25.99362 
1 1 1    7   16    6 o  371.444   13.072  179.140   12.577  153.500   21.576  192.337   15.479  341.907   24.525  384.685   15.534 -42.77792 29.03041 
1 1 1    7   16    7 o  390.353   16.967  198.208   17.156  198.208   17.156   0.0000   0.0000  390.353   16.967  ?   ?  0.000000 16.96679 
1 1 1    7   16    8 o  955.160   12.120  1184.32   29.986  1172.85   42.255  1195.96   42.559  949.421   17.182  958.743   17.137 -9.322510 24.26740 
1 1 1    7   16    9 o  420.373   11.547  229.369   12.574  223.545   18.238  234.646   17.359  414.477   16.988  424.780   15.776 -10.30350 23.18325 
1 1 1    7   16   10 o  390.118   11.527  197.560   11.649  178.996   16.563  215.730   16.386  370.816   17.244  407.287   15.532 -36.47086 23.20730 
1 1 1    7   16   11 o  387.769   12.126  195.262   12.180  165.630   17.644  222.233   16.834  355.918   19.210  413.312   15.723 -57.39410 24.82410 
1 1 1    7   16   12 o  362.258   12.597  170.479   11.821  160.293   17.318  179.365   16.174  350.059   19.171  371.139   16.824 -21.07983 25.50691 
1 1 1    7   16   13 o  235.788   16.179   72.724   9.8216   65.617   14.791   78.330   13.136  222.060   26.220  243.955   20.991 -21.89525 33.58793 
1 1 1    7   16   14 o  580.362   16.533  438.846   24.854  449.000   35.802  429.400   34.530  585.228   23.617  572.408   23.288 12.82019 33.16820 
1 1 1    7   16   15 o  319.513   17.130  133.512   14.125  115.024   17.655  166.400   23.547  295.243   23.274  354.762   25.801 -59.51874 34.74700 
1 1 1    7   16   16 o  316.064   15.263  130.158   12.496   99.230   22.158  144.579   15.131  271.469   32.135  332.325   17.641 -60.85568 36.65818 
1 1 1    7   16   17 o  287.743   12.950  107.744   9.6520   89.980   21.742  112.104   10.772  257.606   33.367  293.369   14.175 -35.76361 36.25284 
1 1 1    7   16   18 o  138.666   22.411   25.911   7.7752   56.670   19.931   20.390   8.4442  201.130   39.666  121.709   27.440 79.42062 48.23194 
1 1 1    7   16   19 o  431.528   11.406  242.303   12.749  199.300   26.863  254.806   14.485  386.386   27.010  442.286   12.643 -55.89993 29.82245 
1 1 1    7   16   20 o  175.653   17.911   40.889   8.0352   19.420   19.803   45.120   8.7915  126.173   46.278  184.433   18.659 -58.26020 49.89785 
1 1 1    7   16   21 o  365.160   12.051  173.893   11.398  156.300   25.514  178.280   12.741  339.406   29.308  369.457   13.313 -30.05157 32.19035 
1 1 1    7   16   22 o  101.515   35.085   13.325   11.221   16.380   19.447   11.800   13.739  118.855   45.385  101.994   38.331 16.86057 59.40564 
1 1 1    7   16   23 o  112.810   27.268   17.901   7.8800   14.300   18.912   18.658   8.6683  113.815   44.409  114.843   29.103 -1.027779 53.09526 
1 1 1    7   16   24 o  114.337   26.323   18.413   7.6346   39.010   20.154   14.963   8.2494  159.167   46.178  102.913   29.453 56.25407 54.77077 
1 1 1    7   16   25 o  185.404   18.149   46.070   8.6041   44.730   20.055   46.373   9.5252  169.712   44.919  185.297   20.171 -15.58521 49.24017 
1 1 1    7   16   26 o  175.109   18.951   41.371   8.4586   16.260   19.614   47.108   9.3751  115.166   45.145  186.693   19.683 -71.52682 49.24950 
1 1 1    7   16   27 o  170.684   19.611   39.566   8.5130   0.0000   0.0000   39.566   8.5130  ?   ?   170.684   19.611 0.000000 19.61102 
1 1 1    7   16   28 o  304.409   13.260  122.263   10.455  126.100   22.407  121.195   11.821  297.522   29.461  302.253   15.099 -4.730713 33.10492 
1 1 1    7   16   29 o   91.599   28.847   12.052   7.6396   10.830   18.474   12.305   8.3907  102.206   42.432   92.758   30.329 9.447365 52.15649 
1 1 1    7   16   30 o   73.707   27.872   6.3774   7.2894   16.010   17.280   4.2924   8.0397  107.279   42.273   70.339   28.455 36.94068 50.95764 
1 1 1    7   16   31 o  121.151   25.542   21.504   7.7631  -9.3110   18.227   28.333   8.5803   77.163   36.176  140.097   24.538 -62.93403 43.71283 
1 1 1    7   16   32 o   73.271   27.006   6.9074   6.7553  -6.0090   16.769   9.4096   7.3807   76.175   35.375   81.580   28.439 -5.405014 45.38969 
1 1 1    7   16   33 o   77.955   31.937   6.2728   10.282  -5.3050   15.408   15.570   13.807   73.210   33.968  100.189   38.245 -26.97891 51.15150 
1 1 1    7   16   34 o   42.651   20.968 -14.4120   8.0696  -7.1480   16.923 -16.5499   9.1806   73.968   34.735   45.078   22.200 28.88957 41.22356 
1 1 1    7   16   35 f  102.488   27.339   16.372   7.3916   15.175   10.602   17.504   10.310   96.484   34.054  102.612   33.623 -6.128738 47.85569 
1 1 1    7   16   36 o  124.885   30.739   25.537   9.8769   25.537   9.8769   0.0000   0.0000  124.885   30.739  ?   ?  0.000000 30.73939 
1 1 1    7   16   37 o   87.207   30.261   12.415   8.3520   24.130   14.542   6.6488   10.202  110.506   39.787   75.241   31.409 35.26427 50.69104 
1 1 1    7   16   38 o   81.086   29.320   10.629   7.9082   11.150   9.5748   9.5100   14.028   82.801   31.791   82.786   35.763 0.1511383E-01 47.85074 
1 1 1    7   16   39 o   68.579   27.524   6.3119   7.4578  -0.1987   10.996   11.858   10.149   64.112   29.364   83.235   32.517 -19.12309 43.81266 
1 1 1    7   16   40 o   56.404   24.773   1.4439   6.9709 -12.1638   11.218   10.004   8.8974   52.191   25.459   77.634   30.413 -25.44230 39.66254 
1 1 1    7   16   41 o  108.703   28.936   21.013   8.2916   20.868   12.333   21.132   11.201   97.980   36.415  100.749   35.040 -2.768852 50.53565 
1 1 1    7   16   42 o  112.175   29.006   22.863   8.4907   8.1938   11.789   38.672   12.239   73.334   32.213  139.731   34.111 -66.39655 46.91739 
1 1 1    7   16   43 o   58.790   26.495   2.1351   8.5165  -8.2837   10.144   27.020   15.677   50.584   24.570   97.141   39.574 -46.55716 46.58108 
1 1 1    7   17    0 f  274.297   13.383   97.716   9.5086   97.952   13.745   97.501   13.168  273.516   19.529  272.999   18.734 0.5170593 27.06219 
1 1 1    7   17    1 o  505.799   10.902  331.955   14.283  329.504   20.576  334.234   19.843  503.420   15.779  507.103   15.106 -3.682190 21.84446 
1 1 1    7   17    2 o  322.401   12.360  134.943   10.322  120.554   14.464  149.876   14.734  303.729   18.472  339.431   16.758 -35.70273 24.94093 
1 1 1    7   17    3 o  491.138   10.894  313.000   13.859  319.725   20.179  306.995   19.068  495.884   15.710  485.978   15.148 9.905884 21.82313 
1 1 1    7   17    4 f  269.003   14.027   94.271   9.7399   74.272   14.379  111.229   13.240  237.247   23.715  291.804   17.599 -54.55698 29.53202 
1 1 1    7   17    5 o  380.817   12.100  188.278   11.936  176.340   17.400  198.889   16.404  367.982   18.254  391.028   16.196 -23.04642 24.40321 
1 1 1    7   17    6 o   95.538   31.085   11.629   8.8184   18.100   16.599   9.0838   10.409  122.386   42.650   91.851   33.572 30.53497 54.27788 
1 1 1    7   17    7 o  315.074   14.748  129.062   12.037   83.400   20.970  151.497   14.699  249.277   33.310  341.187   16.632 -91.91083 37.23139 
1 1 1    7   17    8 o  715.326   11.284  664.250   20.908  645.807   29.686  682.403   29.453  704.450   16.269  724.253   15.700 -19.80347 22.60863 
1 1 1    7   17    9 o  395.886   12.134  203.549   12.443  210.369   18.401  197.804   16.890  401.835   17.679  389.771   16.729 12.06476 24.33941 
1 1 1    7   17   10 o  383.970   12.180  191.511   12.115  187.403   18.064  194.870   16.332  379.115   18.395  386.872   16.297 -7.757111 24.57570 
1 1 1    7   17   11 o  514.769   11.462  344.144   15.283  336.691   22.218  350.838   21.057  508.350   16.873  519.133   15.659 -10.78384 23.01952 
1 1 1    7   17   12 f  846.046   17.079  933.101   37.429  1066.00   57.486  835.300   49.314  901.149   24.627  798.028   23.856 103.1210 34.28726 
1 1 1    7   17   13 o  283.133   20.945  105.465   15.252   95.420   22.099  114.600   21.076  266.211   32.738  293.456   28.068 -27.24542 43.12314 
1 1 1    7   17   14 o  137.839   26.427   25.848   9.0924   24.672   14.156   26.675   11.863  133.862   38.662  138.852   33.392 -4.989456 51.08592 
1 1 1    7   17   15 o  534.526   11.572  371.429   16.022  362.751   23.430  379.052   21.959  527.071   17.161  539.136   15.724 -12.06506 23.27538 
1 1 1    7   17   16 o  348.579   13.227  158.214   11.943  147.416   17.683  167.269   16.194  334.623   20.500  357.706   17.477 -23.08261 26.93906 
1 1 1    7   17   17 o  541.140   11.070  380.843   15.517  339.700   32.706  392.794   17.627  506.818   24.913  549.278   12.389 -42.45947 27.82348 
1 1 1    7   17   18 o  503.604   11.105  330.021   14.486  315.700   30.362  334.242   16.483  488.368   24.001  506.482   12.564 -18.11340 27.09046 
1 1 1    7   17   19 o  281.100   13.415  103.143   9.7681   87.980   22.760  106.567   10.815  251.541   35.954  285.139   14.692 -33.59714 38.83997 
1 1 1    7   17   20 o  305.189   19.072  123.280   15.001  107.600   23.810  133.600   19.317  278.767   33.655  315.911   23.781 -37.14447 41.20903 
1 1 1    7   17   21 f   67.306   28.263   1.4430   8.3349   3.1230   19.130   1.0493   9.2601   98.740   42.194   69.710   29.559 29.03056 51.51712 
1 1 1    7   17   22 f  177.688   18.656   42.246   8.4587   31.850   21.140   44.227   9.2297  145.957   48.161  181.436   19.969 -35.47878 52.13675 
1 1 1    7   17   23 o   88.382   28.946   10.505   7.6420  -5.0730   20.275   13.085   8.2505   90.617   40.855   96.927   29.889 -6.310005 50.62145 
1 1 1    7   17   24 o   51.099   23.828  -6.5253   7.7342   18.610   19.629 -11.1450   8.4150  119.574   45.611   48.505   23.262 71.06882 51.20078 
1 1 1    7   17   25 o   97.939   28.596   13.654   7.7067   20.890   17.814   11.988   8.5480  121.122   43.974   93.220   30.618 27.90235 53.58308 
1 1 1    7   17   26 o   51.402   24.119  -7.3769   8.1325   0.0000   0.0000  -7.3769   8.1325  ?   ?    51.402   24.119 0.000000 24.11932 
1 1 1    7   17   27 o  123.614   30.935   22.614   9.8818   24.030   19.428   22.120   11.477  125.198   45.850  120.970   34.776 4.228386 57.54610 
1 1 1    7   17   28 o  119.505   25.720   20.613   7.7259   37.270   18.565   17.124   8.4965  149.375   44.586  107.521   29.580 41.85406 53.50618 
1 1 1    7   17   29 o  123.777   25.406   22.215   7.8726   22.020   19.112   22.255   8.6396  118.165   45.023  122.698   27.824 -4.532463 52.92668 
1 1 1    7   17   30 o  260.135   13.474   90.308   9.0480   72.440   20.131   94.832   10.129  212.783   37.914  265.802   14.769 -53.01900 40.68870 
1 1 1    7   17   31 o  156.215   20.223   34.236   7.9911   39.460   18.324   33.009   8.8801  147.577   44.351  151.473   23.386 -3.895401 50.13898 
1 1 1    7   17   32 o   56.505   26.062  -4.3589   8.8743  -9.8430   16.257  -2.0313   10.591   70.847   33.507   64.985   29.393 5.861755 44.57227 
1 1 1    7   17   33 o   35.925   17.975 -17.7639   7.0216 -28.3700   13.642 -13.9415   8.1898   51.411   25.619   43.482   21.325 7.929089 33.33244 
1 1 1    7   17   34 o  116.182   25.316   20.483   7.4033   15.260   18.262   21.510   8.0986   99.209   41.757  117.931   27.082 -18.72224 49.77067 
1 1 1    7   17   35 o   55.326   25.169  -2.1496   7.9040 -10.7600   17.451   0.0724   8.8654   70.217   33.628   61.765   27.493 8.452461 43.43655 
1 1 1    7   17   36 o   56.364   25.109  -0.2177   7.4107 -13.6400   17.521   2.7068   8.1783   67.242   32.574   63.884   27.451 3.357529 42.59854 
1 1 1    7   17   37 o   90.940   29.508   13.976   7.9481   12.490   11.283   15.440   11.198   86.282   34.108   92.567   34.641 -6.284950 48.61399 
1 1 1    7   17   38 o   73.876   28.475   8.3320   7.7021 -13.2275   11.496   25.890   10.375   52.658   25.706  119.311   32.630 -66.65256 41.53891 
1 1 1    7   17   39 o   94.761   28.245   15.629   7.4545   20.869   10.089   9.3300   11.063  104.257   33.184   77.364   32.528 26.89380 46.46799 
1 1 1    7   17   40 o   62.600   27.220   3.5576   8.2323  -4.0241   11.952   10.402   11.356   60.193   28.545   78.147   32.912 -17.95330 43.56610 
1 1 1    7   17   41 o   39.422   19.583 -14.2103   7.7195 -10.8829   10.774 -17.7198   11.065   50.896   24.854   46.961   23.347 3.935440 34.10049 
1 1 1    7   17   42 o   76.557   31.145   11.325   9.6930   14.343   12.325   6.4320   15.694   81.143   34.236   72.077   33.720 9.065895 48.05381 
1 1 1    7   17   43 o   84.440   33.032   16.563   10.484   28.980   19.893   11.787   12.337   89.172   40.312   74.638   32.865 14.53429 52.01122 
1 1 1    7   18    0 o  394.626   12.083  202.227   12.351  194.806   17.793  209.126   17.157  386.726   17.762  400.841   16.524 -14.11542 24.26022 
1 1 1    7   18    1 o  683.770   11.136  606.900   19.723  618.200   28.410  596.388   27.403  689.300   15.911  677.086   15.624 12.21423 22.29998 
1 1 1    7   18    2 o  383.502   12.076  190.992   11.996  181.876   17.245  199.539   16.698  373.653   17.818  391.542   16.464 -17.88885 24.25995 
1 1 1    7   18    3 o  359.165   12.318  167.544   11.460  165.406   16.701  169.446   15.753  355.822   18.181  360.757   16.858 -4.934296 24.79372 
1 1 1    7   18    4 o  301.599   13.419  118.210   10.483   98.766   15.378  135.090   14.329  274.072   21.843  321.604   17.263 -47.53198 27.84098 
1 1 1    7   18    5 o  297.891   13.765  115.350   10.622  104.895   15.802  123.968   14.346  282.486   21.763  307.894   18.067 -25.40787 28.28517 
1 1 1    7   18    6 o  347.612   12.737  157.002   11.468  170.484   17.218  146.251   15.376  361.129   18.468  334.522   17.809 26.60721 25.65572 
1 1 1    7   18    7 o  353.179   14.374  162.235   13.150  159.000   22.996  163.807   16.030  347.110   25.760  354.531   17.455 -7.420624 31.11634 
1 1 1    7   18    8 o  385.210   14.144  193.002   14.113  215.800   27.993  185.233   16.342  404.240   26.887  377.057   16.732 27.18253 31.66850 
1 1 1    7   18    9 o  278.728   17.262  101.667   12.401   73.470   23.267  112.856   14.657  231.012   40.351  293.338   19.399 -62.32603 44.77218 
1 1 1    7   18   10 o  338.275   19.763  150.057   17.241  154.400   26.113  146.700   22.956  340.494   29.910  332.723   26.865 7.771454 40.20427 
1 1 1    7   18   11 o  186.548   25.693   46.621   12.086   21.764   14.984   92.900   20.445  127.608   40.422  263.156   30.563 -135.5480 50.67599 
1 1 1    7   18   12 o  530.278   11.507  365.460   15.806  359.249   22.858  371.151   21.880  524.719   16.818  533.564   15.831 -8.845520 23.09702 
1 1 1    7   18   13 f  647.099   11.335  544.297   19.000  538.890   27.423  549.289   26.350  642.584   16.475  648.989   15.674 -6.404968 22.74023 
1 1 1    7   18   14 o  284.514   15.128  105.866   11.109  108.262   16.836  104.019   14.785  285.956   22.922  280.887   20.461 5.068848 30.72548 
1 1 1    7   18   15 o  522.155   11.661  354.728   15.772  374.878   23.701  338.713   21.130  535.388   17.090  509.208   16.020 26.17993 23.42467 
1 1 1    7   18   16 o  549.684   11.445  393.234   16.296  371.143   23.991  412.158   22.204  532.337   17.398  561.700   15.261 -29.36279 23.14279 
1 1 1    7   18   17 o  356.166   17.808  166.458   16.429   0.0000   0.0000  166.458   16.429  ?   ?   356.166   17.808 0.000000 17.80799 
1 1 1    7   18   18 o  482.827   13.446  304.501   16.817  286.700   30.201  312.500   20.246  462.943   25.281  488.267   16.007 -25.32486 29.92281 
1 1 1    7   18   19 o  321.639   18.673  136.927   15.491  140.900   24.845  134.400   19.813  320.828   30.254  316.279   24.372 4.548492 38.84951 
1 1 1    7   18   20 o  138.727   23.453   26.395   8.1273   10.970   20.227   29.364   8.8752  111.008   45.055  146.227   24.283 -35.21926 51.18245 
1 1 1    7   18   21 o  109.156   28.401   16.878   8.1073   19.560   19.790   16.337   8.8872  122.819   46.034  107.348   30.518 15.47061 55.23071 
1 1 1    7   18   22 o  151.404   21.222   31.243   8.0941   33.620   21.074   30.832   8.7666  147.401   48.059  149.620   23.385 -2.218628 53.44638 
1 1 1    7   18   23 o   74.661   28.618   5.7655   7.7511   1.3920   20.066   6.5325   8.4033   96.148   42.135   78.222   29.842 17.92612 51.63239 
1 1 1    7   18   24 o  195.827   16.849   51.307   8.4632   43.410   20.250   52.979   9.3159  164.662   45.806  198.440   18.331 -33.77791 49.33802 
1 1 1    7   18   25 o   96.754   30.878   13.321   8.7310   0.0000   0.0000   13.321   8.7310  ?   ?    96.754   30.878 0.000000 30.87844 
1 1 1    7   18   26 o  235.504   18.332   74.923   11.095   38.570   22.265   86.931   12.797  150.283   49.417  252.993   19.682 -102.7107 53.19270 
1 1 1    7   18   27 o   80.960   28.543   8.7089   7.4467   5.6330   18.958   9.2700   8.0976   95.698   41.458   83.508   29.730 12.19001 51.01603 
1 1 1    7   18   28 o   89.875   28.863   11.735   7.6193   33.610   18.947   7.5148   8.3218  139.008   45.581   78.637   29.769 60.37121 54.44084 
1 1 1    7   18   29 o  167.771   18.825   38.870   8.0397   55.000   18.454   35.091   8.9319  182.208   40.180  157.235   22.578 24.97322 46.08874 
1 1 1    7   18   30 o  130.356   23.987   24.750   7.8011   20.200   17.772   25.836   8.6823  110.756   43.095  131.812   26.350 -21.05605 50.51253 
1 1 1    7   18   31 o   58.858   25.736   0.2648   7.4489  -9.3250   17.254   2.4615   8.2581   73.223   34.597   65.571   27.864 7.652328 44.42217 
1 1 1    7   18   32 o   54.201   25.975 -10.7276   10.450 -26.9800   17.055  -0.9593   13.222   60.487   29.878   72.218   32.737 -11.73083 44.32121 
1 1 1    7   18   33 o  137.456   23.786   28.036   8.1624   6.0990   18.331   33.461   9.1161   87.806   39.276  150.012   24.291 -62.20615 46.18037 
1 1 1    7   18   34 o   66.320   27.242   4.3600   7.5058   20.980   16.835   0.2366   8.3853  105.402   41.663   60.608   26.870 44.79434 49.57651 
1 1 1    7   18   35 o   71.068   27.386   6.8435   7.1229  -4.7000   17.956   8.9991   7.7595   74.414   35.201   77.574   28.874 -3.159767 45.52821 
1 1 1    7   18   36 o   49.921   23.789  -7.1118   8.5053   0.0000   0.0000  -7.1118   8.5053  ?   ?    49.921   23.789 0.000000 23.78926 
1 1 1    7   18   37 o   87.549   29.014   13.167   7.6692   13.460   18.690   13.108   8.4099   88.144   39.526   86.704   30.350 1.440819 49.83416 
1 1 1    7   18   38 o   84.994   32.061   13.228   9.6305   18.460   17.586   10.987   11.510   91.520   39.789   80.386   33.442 11.13441 51.97647 
1 1 1    7   18   39 o   61.189   26.764   3.0109   8.0618   11.317   11.358  -5.4221   11.444   79.574   33.173   57.722   27.531 21.85212 43.10938 
1 1 1    7   18   40 o   78.009   29.230   11.041   7.9776   13.045   11.275   9.0326   11.289   81.272   33.387   74.358   32.103 6.913193 46.31696 
1 1 1    7   18   41 o   58.855   26.309   2.4172   8.2115   15.211   12.475  -7.3635   10.908   82.575   34.621   53.263   25.778 29.31232 43.16404 
1 1 1    7   18   42 o   57.911   27.845  -3.4320   12.236 -30.8900   17.898   20.660   16.765   52.435   26.543   83.977   37.562 -31.54190 45.99429 
1 1 1    7   19    0 o  632.336   16.688  520.950   27.333  501.800   38.555  540.300   38.756  618.631   24.060  642.169   23.299 -23.53790 33.49233 
1 1 1    7   19    1 o  636.647   16.655  528.072   27.466  513.800   39.448  541.500   38.264  625.890   24.332  642.977   22.974 -17.08722 33.46421 
1 1 1    7   19    2 o  199.415   31.655   53.823   15.805   39.040   23.543   65.950   21.324  167.682   50.245  219.103   39.002 -51.42177 63.60593 
1 1 1    7   19    3 o  282.980   22.665  105.529   16.474  128.600   24.345   86.040   22.375  310.507   30.670  252.108   35.226 58.39870 46.70638 
1 1 1    7   19    4 o  700.425   16.702  639.352   30.302  640.800   43.610  638.000   42.134  698.886   24.090  697.639   23.316 1.246643 33.52547 
1 1 1    7   19    5 o  148.581   38.554   30.647   14.966   34.510   22.684   27.670   19.915  158.703   49.663  144.025   46.707 14.67888 68.17584 
1 1 1    7   19    6 o  227.239   26.007   68.782   15.033   56.390   22.558   78.680   20.162  200.400   44.605  241.308   33.130 -40.90767 55.56282 
1 1 1    7   19    7 o  172.772   32.072   40.807   13.825   51.500   20.031   31.080   19.105  192.023   41.483  150.148   45.324 41.87601 61.44146 
1 1 1    7   19    8 o  762.318   16.410  757.789   32.404  705.100   43.893  820.900   48.039  732.894   23.121  790.635   23.457 -57.74103 32.93630 
1 1 1    7   19    9 f  725.944   11.619  684.983   21.848  672.745   31.463  696.378   30.362  717.996   16.917  730.777   16.039 -12.78076 23.31201 
1 1 1    7   19   10 o  216.358   18.411   61.630   10.220   42.523   15.385   76.722   13.673  175.343   35.099  240.763   22.173 -65.42004 41.51595 
1 1 1    7   19   11 o  450.456   11.918  263.906   13.906  257.992   19.983  269.460   19.364  444.335   17.362  454.308   16.455 -9.972534 23.92089 
1 1 1    7   19   12 o  326.471   13.944  138.893   11.792   92.979   16.871  182.744   16.488  264.237   24.944  373.915   17.023 -109.6790 30.19878 
1 1 1    7   19   13 o  226.808   18.144   67.792   10.571   52.980   16.193   78.790   13.954  196.233   33.030  243.595   22.364 -47.36203 39.88908 
1 1 1    7   19   14 o  341.568   13.665  152.161   12.090  145.806   18.186  157.194   16.185  332.084   21.253  345.803   18.132 -13.71872 27.93671 
1 1 1    7   19   15 o  257.757   15.995   87.281   10.627   95.349   16.790   81.889   13.725  266.983   24.553  248.195   21.564 18.78792 32.67785 
1 1 1    7   19   16 o  622.827   13.120  506.384   21.167  498.600   37.193  510.112   25.742  612.774   23.432  623.956   15.927 -11.18170 28.33253 
1 1 1    7   19   17 f  293.910   20.102  114.720   15.212  100.000   23.589  125.200   19.903  267.764   34.834  304.890   25.434 -37.12592 43.13160 
1 1 1    7   19   18 o  270.457   21.312   97.809   14.810   81.860   23.863  107.800   18.887  238.043   40.127  281.834   26.170 -43.79155 47.90715 
1 1 1    7   19   19 o   67.494   27.153   3.2635   7.2769   14.570   20.036   1.5455   7.8103  115.471   45.513   65.438   27.413 50.03268 53.13109 
1 1 1    7   19   20 o  179.276   19.292   43.214   8.8180   63.270   20.970   38.906   9.7190  206.222   40.702  168.770   22.817 37.45250 46.66133 
1 1 1    7   19   21 f  134.316   24.462   25.156   8.1973   19.320   19.749   26.371   9.0101  120.792   45.828  136.881   26.368 -16.08968 52.87265 
1 1 1    7   19   22 o  132.243   24.002   24.434   7.9190   40.770   20.124   21.441   8.6140  159.905   46.071  122.349   27.811 37.55593 53.81432 
1 1 1    7   19   23 f   91.973   29.416   11.848   7.9205   18.210   19.554   10.600   8.6630  116.980   45.291   89.040   30.824 27.94016 54.78502 
1 1 1    7   19   24 o  113.813   28.373   18.857   8.3354   0.0000   0.0000   18.857   8.3354  ?   ?   113.813   28.373 0.000000 28.37294 
1 1 1    7   19   25 o   60.493   27.287  -3.0769   9.0577   10.770   18.850  -7.2338   10.328  102.949   42.811   59.437   27.656 43.51181 50.96683 
1 1 1    7   19   26 o  185.990   18.534   47.185   8.8103   16.910   20.893   53.732   9.7164  112.355   45.720  198.245   19.160 -85.88898 49.57210 
1 1 1    7   19   27 o  145.457   21.916   29.804   8.0010   27.330   20.881   30.229   8.6622  126.189   47.288  145.497   23.807 -19.30811 52.94268 
1 1 1    7   19   28 o   77.496   28.964   7.6855   7.8236 -21.5600   18.691   13.898   8.6146   68.824   33.411   95.828   30.681 -27.00398 45.36142 
1 1 1    7   19   29 o  132.486   24.685   25.769   8.1596   44.590   19.153   21.596   9.0190  155.482   44.990  118.140   29.548 37.34185 53.82507 
1 1 1    7   19   30 o  103.282   31.920   17.084   9.4036   20.420   17.876   15.808   11.057  108.936   42.973   99.237   34.797 9.699463 55.29461 
1 1 1    7   19   31 o   54.115   25.736  -8.7458   9.8512 -12.4700   17.249  -6.9430   12.001   69.813   33.434   62.343   29.268 7.470066 44.43512 
1 1 1    7   19   32 o   49.302   22.865  -4.0382   6.9714  -0.8881   17.701  -4.6164   7.5843   79.505   36.718   50.834   23.668 28.67086 43.68558 
1 1 1    7   19   33 o   70.764   27.894   6.2613   7.5264   3.8820   18.003   6.7652   8.2852   83.367   37.948   73.237   29.140 10.13050 47.84510 
1 1 1    7   19   34 o   71.144   27.110   7.0060   6.9303   5.2970   16.301   7.3830   7.6567   81.331   36.654   73.096   28.330 8.235313 46.32618 
1 1 1    7   19   35 o   61.284   27.012   1.5006   8.3539   0.0000   0.0000   1.5006   8.3539  ?   ?    61.284   27.012 0.000000 27.01166 
1 1 1    7   19   36 o   72.426   30.207   6.9758   9.4242   19.390   19.252   3.0638   10.808   94.490   41.344   67.963   30.296 26.52743 51.25574 
1 1 1    7   19   37 o   65.821   27.510   5.2787   7.8396   12.870   17.405   3.3465   8.7808   84.614   38.029   63.788   27.915 20.82553 47.17453 
1 1 1    7   19   38 o   50.786   23.893  -3.8389   8.0694   32.310   18.605 -12.2150   8.9557  106.204   43.171   45.202   22.195 61.00225 48.54256 
1 1 1    7   19   39 o  104.862   30.155   20.767   8.6289   25.350   18.682   19.525   9.7289   93.967   40.931   97.797   32.688 -3.830002 52.38166 
1 1 1    7   19   40 o   62.922   27.269   4.7996   8.2076   17.210   19.192   2.0218   9.0798   82.445   38.131   59.765   27.106 22.67979 46.78381 
1 1 1    7   19   41 o   48.414   24.152 -17.5082   12.265 -23.8300   17.983 -12.0100   16.771   55.105   27.735   58.722   29.118 -3.616688 40.21274 
1 1 1    7   20    0 o  250.949   17.035   82.539   11.007  100.071   16.671   68.989   14.656  275.035   23.630  227.608   25.287 47.42673 34.60948 
1 1 1    7   20    1 o  549.830   11.651  392.908   16.593  389.290   24.302  396.069   22.711  546.178   17.178  551.209   15.906 -5.031128 23.41115 
1 1 1    7   20    2 f  448.749   12.048  261.795   14.004  245.310   20.470  276.297   19.200  433.341   18.237  460.332   16.102 -26.99054 24.32814 
1 1 1    7   20    3 o  294.673   14.346  113.070   10.950  139.440   16.890   93.947   14.383  325.790   20.112  266.993   20.965 58.79648 29.05204 
1 1 1    7   20    4 o  454.586   12.223  268.713   14.393  298.561   21.690  245.229   19.239  478.165   17.512  433.434   17.136 44.73163 24.50159 
1 1 1    7   20    5 o  522.264   11.870  354.632   16.058  305.938   22.522  404.984   22.902  483.883   17.969  557.267   15.866 -73.38425 23.97068 
1 1 1    7   20    6 o  522.327   17.185  356.305   23.251  356.305   23.251   0.0000   0.0000  522.327   17.185  ?   ?  0.000000 17.18493 
1 1 1    7   20    7 o  517.103   11.749  347.719   15.737  320.735   22.528  373.435   21.992  495.405   17.556  534.995   15.870 -39.59058 23.66526 
1 1 1    7   20    8 o  242.805   19.327   77.698   12.055   60.440   21.442   85.673   14.576  207.449   41.355  254.323   22.353 -46.87379 47.00916 
1 1 1    7   20    9 o  121.178   33.044   20.331   10.658   20.220   18.529   20.386   13.029  127.216   45.005  122.276   37.536 4.939178 58.60421 
1 1 1    7   20   10 o  332.384   14.086  144.053   12.128  150.306   18.180  139.040   16.280  337.548   20.895  325.010   19.426 12.53818 28.53032 
1 1 1    7   20   11 o  359.447   13.562  168.456   12.628  144.935   18.468  189.108   17.305  331.040   21.656  379.985   17.581 -48.94504 27.89448 
1 1 1    7   20   12 o  206.017   19.395   56.251   10.228   32.876   15.544   74.098   13.583  151.986   39.220  235.850   22.506 -83.86403 45.21890 
1 1 1    7   20   13 o  322.394   14.402  135.805   12.027  116.412   17.651  152.612   16.432  295.572   23.242  340.246   18.716 -44.67371 29.84059 
1 1 1    7   20   14 o  389.914   14.623  198.877   14.769  179.400   25.539  208.664   18.104  365.000   27.208  398.528   17.537 -33.52835 32.36995 
1 1 1    7   20   15 o  218.364   24.308   64.360   13.516   36.540   20.939   84.230   17.696  157.089   47.455  248.637   27.961 -91.54814 55.08043 
1 1 1    7   20   16 o  134.354   31.766   25.654   10.881   24.923   14.662   26.550   16.235  131.480   39.708  135.401   41.956 -3.921951 57.76722 
1 1 1    7   20   17 o  262.171   15.593   90.727   10.542   79.187   15.804   99.975   14.149  240.969   25.717  273.592   20.105 -32.62299 32.64372 
1 1 1    7   20   18 o  168.615   24.094   39.028   10.224   18.674   15.669   54.120   13.492  116.896   41.383  197.730   27.052 -80.83459 49.44074 
1 1 1    7   20   19 o  154.818   19.862   32.487   7.7813   50.590   21.300   29.699   8.3591  180.012   45.622  146.939   22.693 33.07208 50.95444 
1 1 1    7   20   20 o  425.499   16.492  240.074   18.177   0.0000   0.0000  240.074   18.177  ?   ?   425.499   16.492 0.000000 16.49180 
1 1 1    7   20   21 o  135.155   24.805   25.689   8.3639  -6.8620   20.507   32.185   9.1605   87.751   40.157  151.967   24.074 -64.21624 46.82008 
1 1 1    7   20   22 o  169.168   19.663   38.983   8.4557   50.500   20.259   36.553   9.3049  177.399   44.239  162.429   22.739 14.97038 49.74086 
1 1 1    7   20   23 o  111.841   29.456   18.401   8.6519   0.0000   0.0000   18.401   8.6519  ?   ?   111.841   29.456 0.000000 29.45633 
1 1 1    7   20   24 o  107.232   30.308   17.105   8.7922   9.7970   20.290   18.794   9.7557  102.960   43.711  111.763   32.042 -8.802765 54.19720 
1 1 1    7   20   25 o   66.957   27.196   3.6371   7.3754   1.9310   19.704   3.9151   7.9536   91.774   40.909   69.248   28.197 22.52617 49.68494 
1 1 1    7   20   26 o   81.039   28.629   9.0001   7.4955   2.6340   20.487   9.9839   8.0539   92.502   41.439   84.518   29.694 7.984596 50.97959 
1 1 1    7   20   27 o   89.532   28.861   11.946   7.6127   3.8320   19.917   13.334   8.2382   91.505   40.935   93.864   29.998 -2.359390 50.74978 
1 1 1    7   20   28 o   84.039   28.770   10.371   7.5380   31.350   19.411   6.6457   8.1800  128.191   45.988   74.707   29.190 53.48426 54.47003 
1 1 1    7   20   29 o   99.004   31.340   15.639   9.0080   19.320   19.362   14.622   10.176  106.815   43.800   95.884   33.396 10.93107 55.07936 
1 1 1    7   20   30 o  143.107   25.503   30.835   9.1072   68.610   20.803   21.878   10.129  193.298   42.687  114.930   32.548 78.36743 53.68043 
1 1 1    7   20   31 o  121.573   25.803   22.693   7.8741   2.0450   18.416   27.312   8.7105   82.877   37.974  133.434   26.137 -50.55640 46.09904 
1 1 1    7   20   32 o   53.513   24.124  -1.3314   7.0672   6.3740   16.254  -3.1277   7.8478   83.532   37.201   53.420   24.592 30.11192 44.59466 
1 1 1    7   20   33 o   58.515   25.307   1.6568   7.0405 -24.9700   17.157   7.0485   7.7204   59.567   29.521   72.136   28.309 -12.56936 40.90133 
1 1 1    7   20   34 o  112.995   28.005   21.165   8.1553  -8.5800   18.484   28.355   9.0877   70.466   33.968  132.031   27.467 -61.56530 43.68371 
1 1 1    7   20   35 o   73.713   31.615   6.9158   10.811   0.0000   0.0000   6.9158   10.811  ?   ?    73.713   31.615 0.000000 31.61529 
1 1 1    7   20   36 o   45.094   21.769  -7.9805   7.6570   5.4230   18.018 -10.9344   8.4587   77.249   36.137   44.988   21.981 32.26052 42.29696 
1 1 1    7   20   37 o   56.844   25.791   0.3676   8.2304   11.270   18.257  -2.4131   9.2205   80.727   37.286   55.477   25.919 25.24970 45.40939 
1 1 1    7   20   38 o   66.054   27.642   6.2011   7.9291 -13.2500   17.851   10.982   8.8500   61.814   30.540   77.020   30.283 -15.20584 43.00854 
1 1 1    7   20   39 o   41.718   20.683 -13.6381   8.4486 -24.0200   18.433 -10.8771   9.5059   56.684   28.469   46.833   22.969 9.850746 36.57949 
1 1 1    7   20   40 o   77.025   31.399   12.624   9.8769   1.4150   18.210   17.296   11.756   67.562   32.840   84.088   34.265 -16.52631 47.46093 
1 1 1    7   20   41 o   61.313   27.419   4.9688   8.9275   5.7770   19.393   4.7515   10.056   68.312   33.356   62.082   28.299 6.229221 43.74303 
1 1 1    7   21    0 o  311.585   14.814  126.599   11.956  119.851   17.589  132.396   16.302  300.975   22.728  317.164   19.945 -16.18921 30.23833 
1 1 1    7   21    1 o  262.497   16.431   90.338   11.116   66.629   16.130  111.784   15.340  222.283   28.683  291.194   20.468 -68.91130 35.23668 
1 1 1    7   21    2 o  489.565   11.963  311.814   15.170  305.324   22.075  317.621   20.882  483.171   17.638  493.142   16.347 -9.971771 24.04855 
1 1 1    7   21    3 o  548.872   11.694  391.886   16.626  386.172   24.308  396.910   22.790  543.459   17.267  551.343   15.958 -7.884277 23.51223 
1 1 1    7   21    4 o  773.588   11.813  778.605   23.671  771.385   34.090  785.327   32.894  768.070   17.135  775.298   16.379 -7.227783 23.70406 
1 1 1    7   21    5 o  425.409   12.483  235.614   13.755  242.774   20.892  230.134   18.276  430.424   18.738  419.545   16.817 10.87894 25.17804 
1 1 1    7   21    6 o  355.078   13.562  164.337   12.474  163.217   18.747  165.226   16.709  351.815   20.662  354.674   18.250 -2.859589 27.56773 
1 1 1    7   21    7 f  318.409   14.619  132.320   12.058  125.640   18.371  137.377   15.982  307.657   23.224  322.997   19.188 -15.34021 30.12518 
1 1 1    7   21    8 o  429.069   16.998  241.045   18.892   0.0000   0.0000  241.045   18.892  ?   ?   429.069   16.998 0.000000 16.99819 
1 1 1    7   21    9 f  120.053   33.154   20.104   10.650   11.570   19.054   23.981   12.844  112.250   44.339  130.612   36.532 -18.36174 57.45062 
1 1 1    7   21   10 o  345.150   15.538  155.876   13.891  147.400   24.384  159.948   16.902  330.462   28.774  348.324   18.803 -17.86282 34.37247 
1 1 1    7   21   11 o  337.258   15.930  149.028   13.917  128.900   24.474  158.647   16.918  307.341   31.174  346.668   18.912 -39.32709 36.46182 
1 1 1    7   21   12 o  135.694   36.022   26.275   12.873   23.220   20.605   28.230   16.485  132.471   47.396  140.121   42.058 -7.650879 63.36586 
1 1 1    7   21   13 o  248.443   19.760   82.119   12.612   78.358   16.730   87.070   19.193  239.745   27.434  251.666   30.036 -11.92142 40.67923 
1 1 1    7   21   14 o  206.367   20.086   56.980   10.601   58.055   16.152   56.167   14.050  203.737   31.632  202.105   27.556 1.632050 41.95154 
1 1 1    7   21   15 o  210.728   19.353   59.394   10.446   54.888   16.027   62.723   13.773  197.003   32.543  214.278   25.302 -17.27461 41.22146 
1 1 1    7   21   16 o  249.247   17.700   82.684   11.353   50.312   17.204  107.658   15.111  185.449   37.109  283.208   20.742 -97.75897 42.51305 
1 1 1    7   21   17 o  215.495   18.839   62.283   10.410   57.620   15.576   66.047   13.995  201.619   30.801  219.142   25.108 -17.52278 39.73808 
1 1 1    7   21   18 o  158.883   25.756   35.312   10.237   42.618   15.737   29.953   13.479  168.947   36.986  141.410   36.536 27.53702 51.98894 
1 1 1    7   21   19 f  103.148   34.580   15.055   10.888   2.3440   20.942   19.764   12.746   97.887   42.967  115.694   37.349 -17.80723 56.93121 
1 1 1    7   21   20 o  174.019   19.256   41.138   8.5342   32.300   21.321   42.824   9.3128  140.921   48.381  176.962   20.708 -36.04108 52.62669 
1 1 1    7   21   21 o  144.021   23.515   29.091   8.4698  -3.0360   21.272   35.144   9.2333   91.632   41.531  158.755   23.133 -67.12302 47.53901 
1 1 1    7   21   22 o  158.129   30.344   36.797   11.977   0.0000   0.0000   36.797   11.977  ?   ?   158.129   30.344 0.000000 30.34361 
1 1 1    7   21   23 o   71.630   29.614   3.6960   8.9453 -24.0800   18.252   12.476   10.262   67.504   32.827   94.166   33.474 -26.66247 46.88431 
1 1 1    7   21   24 o  102.346   28.881   15.696   7.9903  -1.6230   18.969   19.432   8.8101   86.175   39.120  113.411   29.655 -27.23564 49.08970 
1 1 1    7   21   25 o  150.323   21.338   31.869   8.0753   16.780   20.417   34.667   8.7922  108.315   44.758  156.281   22.356 -47.96605 50.03074 
1 1 1    7   21   26 o   48.636   22.898  -6.3850   7.4359   55.560   20.024 -16.2931   8.0085  176.251   43.998   41.134   20.347 135.1175 48.47474 
1 1 1    7   21   27 o  123.206   25.418   22.706   7.8427   10.030   19.530   25.143   8.5635   95.663   41.754  129.095   26.497 -33.43208 49.45194 
1 1 1    7   21   28 o   51.995   24.776  -8.7524   9.2226   4.0980   18.085 -13.2685   10.721   86.016   38.702   52.654   25.501 33.36164 46.34783 
1 1 1    7   21   29 o   65.552   27.986   2.7705   8.4020   13.280   18.712   0.1167   9.4031   96.025   41.395   63.617   28.316 32.40839 50.15301 
1 1 1    7   21   30 o   75.583   28.729   7.9745   7.7701   10.130   18.672   7.5231   8.5451   90.943   40.218   75.485   29.732 15.45745 50.01506 
1 1 1    7   21   31 o   84.947   27.783   11.489   7.0412   10.060   18.249   11.738   7.6322   89.045   39.550   85.533   28.951 3.511833 49.01413 
1 1 1    7   21   32 o  107.267   25.279   18.171   6.9087 -17.3600   17.640   24.609   7.5085   64.341   31.501  126.662   23.758 -62.32085 39.45560 
1 1 1    7   21   33 o   59.150   25.516   2.2416   7.1204  -2.9250   14.711   3.8223   8.1371   68.534   32.248   64.679   27.576 3.855003 42.43050 
1 1 1    7   21   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   21   35 o   44.555   21.488  -7.5780   7.4157 -22.4600   18.002  -4.5366   8.1383   59.163   29.473   50.351   23.781 8.812271 37.87088 
1 1 1    7   21   36 o   88.350   30.344   14.907   8.3875   28.870   16.415   9.9725   9.7575  103.082   41.015   75.567   31.053 27.51495 51.44424 
1 1 1    7   21   37 o   47.932   22.926  -5.5724   8.0519  -1.4730   17.762  -6.6327   9.0333   68.165   32.967   49.609   23.872 18.55618 40.70236 
1 1 1    7   21   38 o   54.178   25.134  -0.7709   8.4317   14.760   18.481  -4.8533   9.4752   79.215   36.904   51.909   24.839 27.30597 44.48430 
1 1 1    7   21   39 o   72.849   31.082   10.692   10.352   23.610   18.541   4.8415   12.478   84.677   38.531   65.745   30.527 18.93154 49.15822 
1 1 1    7   21   40 o   77.042   31.839   14.174   10.333   11.870   19.776   15.040   12.119   71.707   34.705   76.764   33.202 -5.057281 48.02939 
1 1 1    7   22    0 o  153.939   27.040   32.407   10.389   19.307   15.113   44.143   14.304  120.920   40.739  178.671   32.086 -57.75141 51.85780 
1 1 1    7   22    1 o  533.634   11.990  370.879   16.574  362.684   24.062  378.277   22.862  525.995   17.660  537.622   16.416 -11.62689 24.11187 
1 1 1    7   22    2 o  229.298   18.654   69.465   10.983   67.412   16.214   71.206   14.931  222.887   28.755  230.260   25.459 -7.372849 38.40568 
1 1 1    7   22    3 o  509.499   12.101  338.177   15.970  287.007   22.456  390.544   22.717  467.540   18.542  546.320   16.053 -78.77979 24.52547 
1 1 1    7   22    4 o  423.982   12.846  234.390   14.108  203.364   20.198  263.948   19.715  392.597   19.927  448.804   16.958 -56.20694 26.16646 
1 1 1    7   22    5 o  358.509   13.850  167.812   12.862  183.090   19.466  155.973   17.135  372.250   20.264  343.813   19.318 28.43759 27.99661 
1 1 1    7   22    6 o  855.126   14.032  955.238   31.082  1021.00   56.036  926.013   37.355  876.252   24.688  840.161   17.165 36.09064 30.06873 
1 1 1    7   22    7 o  361.751   15.250  171.291   14.290  187.700   25.077  163.400   17.390  374.112   26.040  351.758   19.158 22.35434 32.32801 
1 1 1    7   22    8 o  511.978   16.182  343.776   21.461  382.800   32.559  313.800   28.536  536.601   23.425  486.243   22.657 50.35776 32.58904 
1 1 1    7   22    9 o   69.533   31.390  -5.2069   12.014  -5.4230   19.333  -5.0710   15.334   89.816   40.243   79.793   35.790 10.02279 53.85609 
1 1 1    7   22   10 o  328.284   18.856  142.735   15.967  100.600   23.145  181.000   22.057  268.600   34.029  367.749   23.275 -99.14856 41.22762 
1 1 1    7   22   11 o  268.807   18.756   95.965   12.978   94.040   22.904   96.876   15.750  258.353   35.136  268.487   22.865 -10.13397 41.92069 
1 1 1    7   22   12 o  136.829   28.953   26.399   9.9418 -18.3571   16.069   54.158   12.655   68.449   32.641  199.130   25.091 -130.6812 41.16993 
1 1 1    7   22   13 o  124.259   31.759   22.188   10.261  -1.0175   15.861   38.887   13.455   85.062   37.364  164.846   32.666 -79.78440 49.63045 
1 1 1    7   22   14 o  328.101   14.384  141.624   12.225  146.755   17.977  137.210   16.673  330.441   21.113  319.956   20.222 10.48538 29.23472 
1 1 1    7   22   15 o  147.902   27.195   30.845   10.035   54.588   15.113   12.122   13.420  195.935   30.793  100.132   37.829 95.80289 48.77719 
1 1 1    7   22   16 o  151.192   27.484   32.399   10.367   32.490   15.816   32.331   13.727  145.359   40.498  146.887   36.290 -1.528214 54.37882 
1 1 1    7   22   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   22   18 o   66.193   28.470   0.6909   8.8116 -10.3621   12.991   10.109   11.992   64.990   30.492   92.481   35.562 -27.49138 46.84433 
1 1 1    7   22   19 o  263.968   16.655   93.362   11.329   88.218   17.498   97.074   14.866  249.551   27.528  266.106   21.757 -16.55487 35.08781 
1 1 1    7   22   20 o   88.788   30.248   10.965   8.3318   0.0000   0.0000   10.965   8.3318  ?   ?    88.788   30.248 0.000000 30.24751 
1 1 1    7   22   21 o  113.212   33.626   19.599   10.579   0.0000   0.0000   19.599   10.579  ?   ?   113.212   33.626 0.000000 33.62599 
1 1 1    7   22   22 o  185.644   19.062   47.338   9.0364   41.440   22.683   48.450   9.8520  149.859   49.908  186.902   20.697 -37.04315 54.02945 
1 1 1    7   22   23 o   51.764   24.021  -5.1053   7.7095  -5.1600   20.767  -5.0966   8.3028   85.357   39.544   54.065   25.032 31.29201 46.80070 
1 1 1    7   22   24 o  160.529   20.957   36.342   8.5064   28.570   20.968   37.873   9.3066  124.472   47.222  162.827   22.682 -38.35517 52.38716 
1 1 1    7   22   25 o  125.410   25.206   23.385   7.9041   45.810   19.904   19.187   8.6122  154.775   46.159  110.868   29.479 43.90640 54.76935 
1 1 1    7   22   26 o   69.611   27.911   5.2226   7.6604   3.0180   18.421   5.6836   8.4232   85.720   38.768   72.285   29.167 13.43513 48.51431 
1 1 1    7   22   27 o   98.177   35.099   16.070   11.298   5.9120   18.120   22.530   14.450   87.206   39.025  111.038   39.695 -23.83237 55.66573 
1 1 1    7   22   28 o   84.523   28.535   11.137   7.4144   21.190   18.243   9.1473   8.1149  105.656   42.821   79.165   29.516 26.49039 52.00775 
1 1 1    7   22   29 o  104.583   27.829   17.589   7.6711 -16.5100   17.720   25.454   8.5099   66.151   32.209  127.514   26.624 -61.36237 41.78813 
1 1 1    7   22   30 o   57.578   25.264   0.8615   7.2338   22.990   17.459  -3.7245   7.9482  105.219   42.154   52.543   24.385 52.67605 48.69926 
1 1 1    7   22   31 o   88.726   28.516   13.128   7.4360   12.920   17.726   13.172   8.1916   89.362   39.369   88.203   29.992 1.158539 49.49229 
1 1 1    7   22   32 o   52.879   24.051  -1.2611   7.2125   4.9120   17.936  -2.4518   7.8775   79.269   36.733   53.181   24.538 26.08780 44.17472 
1 1 1    7   22   33 o   70.355   28.652   7.0986   8.2141   0.0000   0.0000   7.0986   8.2141  ?   ?    70.355   28.652 0.000000 28.65190 
1 1 1    7   22   34 o  103.982   29.939   19.917   8.5007   13.310   17.752   21.882   9.6830   83.080   37.765  106.065   32.323 -22.98495 49.70885 
1 1 1    7   22   35 o  100.422   29.508   18.923   8.1832   16.570   17.224   19.609   9.2997   84.334   37.872   98.972   31.898 -14.63763 49.51569 
1 1 1    7   22   36 o   71.141   28.846   8.8138   8.2826  -0.0624   18.486   11.043   9.2645   69.022   33.442   76.004   30.616 -6.981926 45.34007 
1 1 1    7   22   37 o   57.322   25.635   2.4284   7.8054  -1.1860   16.863   3.4140   8.8055   65.561   31.806   60.589   27.153 4.972149 41.82009 
1 1 1    7   22   38 o   44.782   22.245 -14.1008   9.9595 -16.2600   17.924 -13.1362   11.979   57.336   28.692   49.865   24.705 7.471329 37.86274 
1 1 1    7   22   39 o   50.299   24.291  -4.6948   9.5543   0.9201   18.148  -6.8480   11.238   64.210   31.542   51.735   25.289 12.47523 40.42807 
1 1 1    7   23    0 o  232.753   21.438   72.325   12.780   70.686   17.135   74.380   19.185  226.962   29.872  231.578   32.908 -4.615997 44.44453 
1 1 1    7   23    1 o  239.217   20.877   76.260   12.807   74.595   17.357   78.250   18.973  233.436   29.354  238.215   31.523 -4.778473 43.07392 
1 1 1    7   23    2 f  279.445   18.690  103.354   13.451  113.204   17.691   89.860   20.707  290.668   23.703  255.203   32.030 35.46544 39.84709 
1 1 1    7   23    3 f  362.279   15.868  172.189   14.891  168.535   19.346  177.500   23.324  356.101   21.067  363.662   24.910 -7.560669 32.62465 
1 1 1    7   23    4 o  293.027   18.002  113.512   13.598   93.817   17.526  143.300   21.554  263.327   26.036  326.076   25.727 -62.74881 36.60265 
1 1 1    7   23    5 o  670.210   13.671  587.689   23.734  591.648   30.205  581.300   38.371  670.374   17.394  660.953   22.412 9.420837 28.37025 
1 1 1    7   23    6 o  320.933   14.646  135.023   12.175  137.751   18.653  132.998   16.072  320.786   22.592  316.410   19.707 4.375763 29.97937 
1 1 1    7   23    7 o  203.251   20.939   55.432   10.866   64.926   16.731   48.506   14.290  216.104   30.757  186.329   30.675 29.77496 43.43930 
1 1 1    7   23    8 o  333.337   14.590  145.840   12.598  133.954   19.056  155.067   16.789  315.376   23.496  341.637   19.048 -26.26007 30.24693 
1 1 1    7   23    9 o   81.905   31.943   6.4084   9.7811 -13.6927   15.043   21.130   12.874   69.294   32.607  121.263   37.327 -51.96852 49.56295 
1 1 1    7   23   10 o  220.856   20.619   65.606   11.660   51.990   22.758   70.452   13.577  182.694   47.609  227.779   23.340 -45.08583 53.02246 
1 1 1    7   23   11 o  173.384   27.190   41.939   11.810   24.600   21.369   49.565   14.171  131.489   48.096  187.304   30.238 -55.81454 56.81152 
1 1 1    7   23   12 o  205.328   20.737   57.044   10.878   77.020   17.108   43.486   14.094  234.616   28.752  173.631   32.533 60.98555 43.41731 
1 1 1    7   23   13 o  263.772   17.420   92.898   11.835   93.065   18.257   92.777   15.543  258.244   27.727  260.587   23.272 -2.343018 36.19913 
1 1 1    7   23   14 o  109.974   33.587   17.678   10.447 -11.2448   16.051   38.935   13.760   73.158   34.186  162.453   33.801 -89.29536 48.07427 
1 1 1    7   23   15 o  167.048   25.221   39.150   10.573   27.384   15.629   49.081   14.358  132.576   41.180  183.916   31.257 -51.34023 51.69872 
1 1 1    7   23   16 o  142.167   27.814   29.126   9.8757   44.264   14.712   16.709   13.324  172.146   34.198  107.863   38.164 64.28256 51.24431 
1 1 1    7   23   17 o  212.690   20.115   61.774   10.950   59.121   17.136   63.605   14.237  198.668   34.553  211.977   26.508 -13.30902 43.54980 
1 1 1    7   23   18 o  142.911   27.447   29.618   9.7910   45.148   16.404   21.024   12.203  169.671   38.241  116.795   36.406 52.87572 52.79880 
1 1 1    7   23   19 o  112.764   40.168   19.570   14.784   21.140   21.534   18.170   20.333  118.520   47.034  113.434   45.475 5.085335 65.42357 
1 1 1    7   23   20 o  239.572   21.950   79.945   13.470   86.331   16.789   68.410   22.566  244.849   26.915  201.040   44.508 43.80945 52.01338 
1 1 1    7   23   21 o  236.350   16.022   75.522   9.7508   84.840   24.149   73.707   10.658  224.383   43.115  232.318   17.848 -7.934998 46.66351 
1 1 1    7   23   22 o  278.866   13.925  104.025   10.059   99.880   26.211  104.741   10.893  240.798   43.629  278.654   15.149 -37.85675 46.18447 
1 1 1    7   23   23 o  179.873   19.187   45.165   8.8018   40.210   22.918   46.022   9.5329  139.760   49.987  180.503   20.767 -40.74289 54.12951 
1 1 1    7   23   24 o   96.835   28.741   14.643   7.7305   17.090   20.889   14.254   8.3213  104.322   44.322   95.215   30.120 9.107513 53.58789 
1 1 1    7   23   25 o  141.015   28.407   30.979   10.017   1.2120   19.054   42.351   11.776   83.840   38.492  165.329   28.530 -81.49001 47.91233 
1 1 1    7   23   26 o   59.531   27.790  -5.2045   10.565 -20.3100   17.742   3.0950   13.151   64.582   31.613   75.786   33.622 -11.20362 46.15019 
1 1 1    7   23   27 f   56.751   25.005   0.3400   7.1522   22.140   18.184  -3.6496   7.7792  105.671   42.779   52.433   24.260 53.23721 49.17868 
1 1 1    7   23   28 o   94.083   27.897   14.404   7.2859 -19.0800   18.983   20.188   7.8902   66.359   32.529  112.034   27.413 -45.67488 42.53913 
1 1 1    7   23   29 o   62.074   25.736   3.7457   6.7830   15.320   18.790   2.0113   7.2735   93.225   40.816   59.605   25.751 33.61988 48.25987 
1 1 1    7   23   30 o  109.096   27.153   19.615   7.6428   33.890   18.782   16.782   8.3669  117.247   44.643   98.188   30.070 19.05889 53.82510 
1 1 1    7   23   31 o   60.400   26.026   2.8337   7.3902   2.9310   17.269   2.8118   8.1769   75.932   35.474   62.130   27.071 13.80200 44.62310 
1 1 1    7   23   32 o   43.705   21.367 -10.6911   8.0289   0.0000   0.0000 -10.6911   8.0289  ?   ?    43.705   21.367 0.000000 21.36678 
1 1 1    7   23   33 o   64.123   27.950   4.3562   8.7247   31.830   18.374  -3.6421   9.9137  104.050   42.667   55.512   26.227 48.53812 50.08366 
1 1 1    7   23   34 o   57.503   25.738   1.8565   7.8856   15.590   18.735  -1.1002   8.6931   81.911   37.811   54.960   25.505 26.95043 45.60873 
1 1 1    7   23   35 o   90.741   30.259   16.634   8.3370   43.280   19.152   10.404   9.2604  111.930   44.377   73.947   30.303 37.98232 53.73617 
1 1 1    7   23   36 o   45.510   21.806  -5.0618   7.3575   10.600   17.675  -8.3443   8.0919   73.729   34.891   44.394   21.648 29.33471 41.06164 
1 1 1    7   23   37 o   58.984   26.898   3.0362   9.0976  -6.7470   18.773   6.0390   10.400   61.901   30.713   64.515   29.158 -2.614384 42.34965 
1 1 1    7   23   38 o   72.542   30.051   11.898   9.2374   2.0480   18.749   15.056   10.615   64.444   31.735   77.057   32.092 -12.61306 45.13337 
1 1 1    7   23   39 o   55.015   25.321   2.7497   8.3156 -20.6400   19.153   8.1830   9.2311   53.523   27.134   63.819   28.248 -10.29639 39.16866 
1 1 1    7   24    0 o  221.598   19.993   65.753   11.352   59.692   16.898   70.738   15.326  205.509   32.849  227.184   26.545 -21.67450 42.23381 
1 1 1    7   24    1 o  100.677   33.860   13.614   10.439   31.181   15.422  -1.2424   14.183  145.183   39.815   80.629   35.376 64.55431 53.26063 
1 1 1    7   24    2 o  251.143   17.885   83.827   11.559   79.927   16.918   87.242   15.830  241.038   27.593  253.511   24.408 -12.47336 36.83940 
1 1 1    7   24    3 o  193.725   21.808   50.744   10.753   57.367   16.508   45.863   14.172  201.178   32.810  180.046   31.538 21.13231 45.50954 
1 1 1    7   24    4 f  221.537   19.350   65.683   10.993   85.381   17.243   52.196   14.268  249.164   27.155  193.180   29.445 55.98373 40.05490 
1 1 1    7   24    5 o  179.310   23.579   43.955   10.686   42.624   16.519   44.913   14.014  169.751   38.459  177.795   31.586 -8.044022 49.76677 
1 1 1    7   24    6 o  257.658   17.331   88.293   11.500  116.373   17.856   68.389   15.033  292.764   23.750  222.622   26.595 70.14194 35.65630 
1 1 1    7   24    7 o  285.336   15.980  107.879   11.763  101.870   18.422  112.016   15.285  271.980   26.485  288.663   20.577 -16.68286 33.53954 
1 1 1    7   24    8 o  330.424   14.642  143.903   12.532  129.006   18.632  156.208   16.934  307.875   23.542  341.639   19.214 -33.76389 30.38756 
1 1 1    7   24    9 o  245.884   17.700   80.817   11.198   50.106   16.214  108.825   15.484  184.748   35.166  283.658   21.227 -98.90935 41.07548 
1 1 1    7   24   10 o  172.986   24.065   41.459   10.491   15.354   15.654   62.743   14.135  108.565   40.893  212.166   26.282 -103.6013 48.61034 
1 1 1    7   24   11 o  203.564   22.528   56.889   11.680   34.680   21.327   66.404   13.959  146.039   48.383  218.669   25.100 -72.63020 54.50581 
1 1 1    7   24   12 o  274.041   18.624  101.159   13.142   83.210   22.511  110.439   16.187  234.529   38.383  284.158   22.167 -49.62857 44.32393 
1 1 1    7   24   13 o  157.225   26.642   35.214   10.463   32.274   16.477   37.201   13.543  142.159   41.899  157.385   34.198 -15.22592 54.08412 
1 1 1    7   24   14 f  281.099   16.321  105.795   11.833  106.372   17.715  105.331   15.899  275.895   25.061  276.564   22.386 -0.6690369 33.60371 
1 1 1    7   24   15 o  119.219   31.500   21.350   9.8734   17.272   15.802   23.961   12.646  109.674   41.130  124.125   36.740 -14.45081 55.14986 
1 1 1    7   24   16 o  164.133   28.521   39.292   11.686   27.260   23.639   43.183   13.443  128.630   49.799  170.124   31.672 -41.49406 59.01716 
1 1 1    7   24   17 o  186.755   31.189   51.995   14.555   44.140   19.303   62.350   22.161  160.470   44.751  191.406   45.387 -30.93568 63.73906 
1 1 1    7   24   18 o  234.825   21.595   76.801   12.988   73.133   17.153   81.730   19.885  221.569   30.713  230.850   34.296 -9.280701 46.03815 
1 1 1    7   24   19 o  143.237   26.502   30.162   9.4707   0.6261   13.749   56.831   13.065   77.452   34.369  197.932   26.120 -120.4791 43.16777 
1 1 1    7   24   20 o  231.569   17.928   73.635   10.670   71.640   16.328   75.122   14.096  218.236   29.651  228.786   24.151 -10.54982 38.24237 
1 1 1    7   24   21 o  101.268   33.817   16.383   10.412   40.420   21.540   9.0526   11.894  141.822   48.632   85.752   34.639 56.06964 59.70689 
1 1 1    7   24   22 o  240.217   14.957   78.404   9.2604   95.190   24.286   75.548   10.017  232.140   41.931  234.527   16.597 -2.387054 45.09610 
1 1 1    7   24   23 o   73.086   28.135   6.8975   7.5119   13.620   20.924   5.9029   8.0484   98.485   43.096   71.594   28.643 26.89030 51.74637 
1 1 1    7   24   24 f   75.173   32.623   4.3827   11.779   38.240   20.400 -12.5500   14.427  131.851   47.161   62.593   30.132 69.25816 55.96515 
1 1 1    7   24   25 o   43.626   21.320 -12.1151   7.9709 -21.7300   17.928  -9.7464   8.8987   63.514   31.230   49.162   23.666 14.35242 39.18401 
1 1 1    7   24   26 o  112.195   26.969   20.127   7.7408   25.090   18.620   19.091   8.5111  108.184   43.466  107.001   29.672 1.182983 52.62788 
1 1 1    7   24   27 o   38.295   18.838 -11.4542   6.5488 -12.1500   17.807 -11.3454   7.0423   67.776   32.834   40.405   19.807 27.37109 38.34620 
1 1 1    7   24   28 o  162.931   19.223   38.684   7.9567   31.780   19.274   40.103   8.7358  113.634   44.687  164.203   21.021 -50.56926 49.38399 
1 1 1    7   24   29 o   75.963   28.162   9.2615   7.3668   35.900   18.192   4.0367   8.0569  119.648   44.276   64.444   27.457 55.20451 52.09789 
1 1 1    7   24   30 o   89.104   28.532   13.974   7.4500   14.790   18.142   13.808   8.1707   86.854   38.945   87.532   29.953 -0.6782913 49.13185 
1 1 1    7   24   31 o   51.267   24.032  -3.3327   8.0400   0.0000   0.0000  -3.3327   8.0400  ?   ?    51.267   24.032 0.000000 24.03227 
1 1 1    7   24   32 o   74.934   28.835   10.054   7.8882   14.390   19.130   9.1663   8.6586   81.648   37.871   72.871   29.512 8.776878 48.01232 
1 1 1    7   24   33 o   66.668   27.569   7.0245   7.7549   1.4680   18.237   8.2510   8.5681   69.434   33.538   69.752   28.923 -0.3182907 44.28676 
1 1 1    7   24   34 o   83.958   29.576   14.327   7.9939   5.9050   15.117   17.596   9.4184   69.269   32.623   89.510   32.042 -20.24044 45.72682 
1 1 1    7   24   35 o   49.958   23.650  -2.7488   8.1337 -12.0000   18.522  -0.5386   9.0533   59.778   29.798   54.605   25.567 5.172695 39.26311 
1 1 1    7   24   36 o   51.055   24.523  -3.8000   9.4337  -8.6270   18.958  -2.2115   10.876   60.380   30.106   55.154   26.449 5.226723 40.07428 
1 1 1    7   24   37 o   52.380   25.012  -1.6579   9.5021 -21.2200   17.257   6.8535   11.383   52.266   26.411   63.767   29.448 -11.50151 39.55717 
1 1 1    7   24   38 o   38.757   19.241 -10.5297   7.4088 -11.5600   19.369 -10.3531   8.0186   56.116   28.311   40.584   20.126 15.53134 34.73567 
1 1 1    7   25    0 o  134.174   31.454   26.199   10.742   29.920   16.140   23.240   14.392  139.652   41.546  124.799   39.625 14.85326 57.41304 
1 1 1    7   25    1 o  208.946   21.145   59.275   11.287   68.374   16.456   51.193   15.510  219.968   29.636  188.000   33.056 31.96758 44.39524 
1 1 1    7   25    2 o  277.898   16.676  102.819   11.948   83.743   17.809  118.434   16.113  244.243   28.696  295.928   21.160 -51.68541 35.65402 
1 1 1    7   25    3 o  216.709   20.363   63.579   11.297   64.601   16.953   62.763   15.150  212.180   31.828  211.126   28.425 1.053833 42.67326 
1 1 1    7   25    4 o  204.400   21.323   56.902   11.123   61.475   16.680   53.239   14.927  206.445   32.246  192.631   30.965 13.81438 44.70675 
1 1 1    7   25    5 o  356.487   14.162  167.716   13.078  167.528   19.721  167.864   17.472  351.269   21.781  353.464   19.154 -2.194885 29.00541 
1 1 1    7   25    6 o  154.424   26.965   33.828   10.393   44.164   16.354   26.824   13.462  170.438   38.010  132.738   37.498 37.69969 53.39356 
1 1 1    7   25    7 o  184.874   22.780   47.169   10.678   45.651   16.232   48.326   14.178  173.508   37.231  182.595   31.090 -9.086945 48.50521 
1 1 1    7   25    8 o  258.081   16.757   89.155   11.142   86.077   16.096   91.986   15.438  248.488   25.363  258.328   23.322 -9.840439 34.45569 
1 1 1    7   25    9 o  211.473   19.342   60.741   10.478   35.638   15.726   80.781   14.051  150.484   39.751  242.106   22.670 -91.62181 45.76050 
1 1 1    7   25   10 o  236.976   18.436   75.970   11.227   43.061   16.476  104.499   15.341  165.788   39.016  276.017   21.630 -110.2295 44.61011 
1 1 1    7   25   11 o  343.443   13.941  156.328   12.402  149.980   18.786  161.233   16.513  330.158   22.094  345.358   18.526 -15.19989 28.83318 
1 1 1    7   25   12 o   86.186   33.458   8.6702   10.693   11.700   19.937   7.4468   12.669  104.736   43.831   87.352   35.580 17.38378 56.45400 
1 1 1    7   25   13 o  181.684   24.884   46.840   11.403   34.290   23.662   50.636   13.014  138.947   50.644  187.160   27.679 -48.21330 57.71399 
1 1 1    7   25   14 o  127.550   34.469   25.384   11.659   18.840   23.984   27.409   13.341  116.132   48.291  130.844   37.458 -14.71218 61.11569 
1 1 1    7   25   15 o  158.893   34.172   39.200   13.647  -1.2800   20.540   71.190   18.260   89.176   40.570  215.888   33.758 -126.7116 52.77757 
1 1 1    7   25   16 o  129.029   36.411   26.941   12.700   29.266   16.043   23.040   20.785  130.774   41.870  118.081   46.415 12.69347 62.50921 
1 1 1    7   25   17 o   96.273   32.273   14.092   9.4837   21.866   14.996   8.9115   12.243  114.545   40.492   87.117   35.159 27.42838 53.62624 
1 1 1    7   25   18 o   63.354   27.610   0.7134   8.5108   20.174   13.407 -12.4203   11.014  110.246   38.336   54.996   26.438 55.24982 46.56855 
1 1 1    7   25   19 o  195.341   20.706   53.925   10.317   57.788   15.843   51.080   13.595  190.700   33.284  182.423   29.800 8.276855 44.67496 
1 1 1    7   25   20 o  184.729   20.101   48.327   9.4633   49.816   13.888   47.036   12.930  177.559   31.341  173.965   29.763 3.594376 43.22153 
1 1 1    7   25   21 o  199.945   22.445   58.120   11.424   45.520   21.920   62.818   13.385  143.918   49.062  204.460   25.852 -60.54196 55.45591 
1 1 1    7   25   22 o  151.161   29.295   36.359   11.056   30.030   20.978   38.793   13.010  117.323   46.466  151.305   34.021 -33.98209 57.58945 
1 1 1    7   25   23 o   58.385   26.417  -1.2392   8.5639  -6.8600   18.786   0.2353   9.6219   74.409   35.430   63.517   28.430 10.89169 45.42668 
1 1 1    7   25   24 o   52.836   24.002  -1.6997   7.1562 -14.0800   17.355   0.8364   7.8550   66.230   32.162   59.337   26.171 6.893326 41.46471 
1 1 1    7   25   25 o   60.686   26.045   2.4711   7.3455  -2.3990   16.523   3.6708   8.2005   72.889   34.259   65.114   27.720 7.774895 44.06865 
1 1 1    7   25   26 o   58.931   25.603   1.8800   7.2716   1.1960   18.817   2.0001   7.8841   77.933   36.607   60.751   26.522 17.18243 45.20515 
1 1 1    7   25   27 o   66.480   26.262   5.9740   6.6849   16.060   18.846   4.5224   7.1498   90.725   40.250   63.735   26.423 26.99001 48.14802 
1 1 1    7   25   28 o   49.871   23.243  -3.2426   7.3431   2.0340   17.360  -4.3924   8.1037   74.497   35.047   50.802   23.913 23.69479 42.42780 
1 1 1    7   25   29 f   62.133   26.551   4.0146   7.5747   10.050   17.989   2.7140   8.3511   80.363   37.080   61.222   26.995 19.14122 45.86544 
1 1 1    7   25   30 f   63.536   27.680   4.3600   8.5471   0.0000   0.0000   4.3600   8.5471  ?   ?    63.536   27.680 0.000000 27.68010 
1 1 1    7   25   31 o   97.414   29.638   18.368   8.1462   36.480   18.020   13.715   9.1326  106.941   42.833   82.186   31.168 24.75520 52.97261 
1 1 1    7   25   32 o   82.662   28.569   13.403   7.4407   31.760   17.757   9.4938   8.1948   97.229   41.063   71.539   28.803 25.69022 50.15750 
1 1 1    7   25   33 o   74.245   29.192   11.142   8.2239   33.430   18.640   5.7550   9.1641   94.479   41.020   63.727   28.179 30.75273 49.76634 
1 1 1    7   25   34 o   77.442   29.937   13.114   8.5329   12.480   19.522   13.263   9.4871   72.490   34.936   76.510   30.925 -4.019196 46.65660 
1 1 1    7   25   35 o   67.461   28.893   9.2364   9.0063   36.090   19.740   2.1767   10.121   88.888   40.172   57.900   27.085 30.98817 48.45015 
1 1 1    7   25   36 o   47.611   23.306  -6.6829   9.6455   9.8830   18.234 -13.1197   11.366   66.558   32.465   46.647   23.267 19.91162 39.94170 
1 1 1    7   25   37 o   47.482   22.940  -3.2320   8.5453 -21.6300   19.687   1.0389   9.4854   52.426   26.671   53.322   25.328 -0.8957748 36.78122 
1 1 1    7   26    0 o  351.204   21.654  168.726   19.603  168.726   19.603   0.0000   0.0000  351.204   21.654  ?   ?  0.000000 21.65383 
1 1 1    7   26    1 o  286.642   16.692  110.104   12.340  110.548   18.694  109.761   16.428  280.683   26.008  282.277   22.659 -1.593750 34.49421 
1 1 1    7   26    2 o  283.023   16.963  107.495   12.378  114.003   18.927  102.630   16.363  285.051   25.916  272.277   23.428 12.77350 34.93623 
1 1 1    7   26    3 o  223.313   19.942   68.014   11.414   71.041   16.730   65.377   15.612  221.654   29.902  213.149   29.032 8.504700 41.67696 
1 1 1    7   26    4 o  326.985   22.337  147.169   18.806  147.169   18.806   0.0000   0.0000  326.985   22.337  ?   ?  0.000000 22.33663 
1 1 1    7   26    5 o  351.789   14.131  164.131   12.877  187.281   20.213  148.320   16.705  369.906   21.184  330.353   19.609 39.55243 28.86684 
1 1 1    7   26    6 o  291.639   16.303  114.082   12.266  121.352   18.706  108.599   16.247  294.368   24.763  280.161   22.580 14.20679 33.51212 
1 1 1    7   26    7 o  213.039   19.902   62.175   10.856   68.604   16.509   57.278   14.409  216.598   30.250  198.699   28.837 17.89911 41.79293 
1 1 1    7   26    8 o  176.008   23.846   43.680   10.592   36.923   15.843   49.141   14.243  151.055   39.897  181.809   31.378 -30.75359 50.75735 
1 1 1    7   26    9 o  117.847   32.710   21.281   10.338   11.332   15.981   28.442   13.557   98.434   40.012  133.472   37.604 -35.03767 54.90947 
1 1 1    7   26   10 o   76.465   32.127   3.9472   10.779   15.420   21.945   0.2992   12.375  110.113   46.025   74.610   32.881 35.50304 56.56364 
1 1 1    7   26   11 o   71.314   32.906  -5.9649   14.170 -14.7000   20.177   2.5360   19.905   77.419   36.822   92.039   41.066 -14.62063 55.15680 
1 1 1    7   26   12 o  238.821   28.205   83.438   17.111   68.650   27.865   92.390   21.681  186.774   54.329  243.949   35.339 -57.17540 64.81158 
1 1 1    7   26   13 o  224.959   29.310   75.161   16.674   59.940   24.532   88.230   22.731  177.111   50.820  233.318   38.988 -56.20680 64.05240 
1 1 1    7   26   14 o   56.419   26.377  -6.6362   9.5748 -17.4607   15.038   0.7444   12.417   62.689   30.322   74.171   32.799 -11.48169 44.66806 
1 1 1    7   26   15 o  143.047   26.776   30.497   9.5567   19.600   15.996   36.546   11.917  109.000   41.271  153.642   31.014 -44.64163 51.62503 
1 1 1    7   26   16 o  113.581   32.161   20.699   9.8907   8.0081   15.213   29.993   13.018   88.481   37.714  133.506   36.566 -45.02483 52.52999 
1 1 1    7   26   17 o  137.037   28.464   28.968   9.7737   24.606   14.854   32.298   12.980  117.026   40.370  138.337   35.908 -21.31160 54.02900 
1 1 1    7   26   18 o   99.849   30.849   16.099   8.7840   11.361   14.357   18.934   11.105   90.737   37.516  105.711   34.908 -14.97366 51.24445 
1 1 1    7   26   19 o   78.472   30.193   8.5738   8.6478   12.540   12.798   5.2412   11.731   90.529   36.154   76.628   32.901 13.90061 48.88359 
1 1 1    7   26   20 o  195.504   23.081   56.589   11.463   54.250   21.757   57.488   13.487  155.977   48.610  191.768   27.975 -35.79051 56.08493 
1 1 1    7   26   21 o  108.547   32.517   20.453   9.8616   10.370   13.462   32.130   14.487   85.304   35.875  128.269   39.615 -42.96470 53.44535 
1 1 1    7   26   22 o   88.546   32.737   13.313   9.9412   10.950   18.787   14.232   11.716   88.815   39.742   90.532   35.056 -1.716309 52.99369 
1 1 1    7   26   23 o  149.863   21.010   33.347   7.9317   18.780   20.377   35.948   8.6108   96.534   42.378  154.633   22.129 -58.09851 47.80807 
1 1 1    7   26   24 o   93.487   29.738   15.140   8.1032   15.750   19.409   15.011   8.9176   91.670   40.749   92.049   31.293 -0.3792801 51.37826 
1 1 1    7   26   25 o   52.739   24.072  -1.4440   7.3072  -1.6500   18.627  -1.4065   7.9439   74.065   35.270   54.731   25.027 19.33347 43.24745 
1 1 1    7   26   26 o   65.512   26.641   5.6115   7.0887   1.4980   17.997   6.3670   7.7122   74.617   35.280   68.159   27.761 6.458878 44.89213 
1 1 1    7   26   27 o   92.829   28.878   15.552   7.6824   17.340   17.426   15.121   8.5591   88.104   38.913   89.811   30.657 -1.707115 49.53886 
1 1 1    7   26   28 o   79.625   28.938   11.585   7.7175  -1.7580   17.243   14.927   8.6302   68.559   32.988   87.779   30.744 -19.22039 45.09331 
1 1 1    7   26   29 o   61.457   28.096   2.0439   10.005   0.0000   0.0000   2.0439   10.005  ?   ?    61.457   28.096 0.000000 28.09638 
1 1 1    7   26   30 o   96.155   29.613   18.351   8.1016   41.210   18.920   13.219   8.9651  108.062   43.674   79.875   30.739 28.18751 53.40737 
1 1 1    7   26   31 o   94.536   28.642   17.735   7.6196   7.7950   18.635   19.730   8.3494   71.060   34.218   97.893   30.048 -26.83282 45.53825 
1 1 1    7   26   32 o   41.414   20.382  -9.7438   7.6952 -23.9700   18.137  -6.6206   8.4980   53.796   27.171   46.410   22.530 7.385227 35.29713 
1 1 1    7   26   33 o   56.631   25.797   2.8750   8.3395   17.070   18.976  -0.5230   9.2841   73.916   35.309   53.757   25.393 20.15856 43.49187 
1 1 1    7   26   34 o   82.060   34.509   20.829   12.455   26.280   18.568   16.370   16.794   79.038   36.878   72.074   34.078 6.964066 50.21251 
1 1 1    7   26   35 o   94.231   31.067   21.739   8.7975   36.540   19.703   18.054   9.8320   82.701   38.386   80.710   31.860 1.991142 49.88490 
1 1 1    7   26   36 o   50.860   24.108   0.6270   8.5068  -9.1570   19.777   2.8481   9.4230   55.318   27.991   54.446   25.677 0.8715935 37.98441 
1 1 1    7   27    0 o   80.214   35.976  -0.9317   15.489   24.470   22.223 -24.9300   21.600  122.410   48.033   73.926   35.895 48.48408 59.96331 
1 1 1    7   27    1 o  113.828   39.731   20.489   14.407  -0.9740   20.839   40.140   19.941   90.325   41.004  150.732   46.465 -60.40697 61.97021 
1 1 1    7   27    2 o   81.582   36.437  -0.1355   15.714   4.4660   22.429  -4.5720   22.023   97.996   43.667   89.017   41.057 8.979645 59.93735 
1 1 1    7   27    3 o   82.862   36.675   1.2455   15.558   23.130   22.763 -17.9400   21.313  120.367   48.165   77.558   37.149 42.80900 60.82703 
1 1 1    7   27    4 o   72.670   32.536  -1.4013   12.611  -0.8903   18.682  -1.8290   17.092   86.365   39.052   82.333   37.280 4.032356 53.98971 
1 1 1    7   27    5 o  159.061   39.265   41.422   16.080   51.960   23.635   32.340   21.941  166.559   50.441  133.785   48.767 32.77484 70.16007 
1 1 1    7   27    6 o  103.979   39.300   16.028   14.488   24.230   23.155   10.750   18.573  121.002   48.522   99.463   42.001 21.53916 64.17470 
1 1 1    7   27    7 o  107.247   39.600   17.824   14.537   48.890   20.656 -12.6600   20.462  165.044   46.388   78.939   37.410 86.10516 59.59364 
1 1 1    7   27    8 o  170.968   30.274   44.087   12.916   30.162   16.251   67.970   21.283  132.148   42.123  200.668   42.280 -68.51999 59.68206 
1 1 1    7   27    9 o  205.656   25.838   61.359   13.460   58.169   16.722   67.230   22.686  192.222   34.869  194.526   45.783 -2.304031 57.54936 
1 1 1    7   27   10 o  169.251   24.403   41.402   10.389   46.899   15.738   37.155   13.832  169.784   36.843  151.409   35.827 18.37523 51.39005 
1 1 1    7   27   11 o  252.884   17.528   87.668   11.411   78.910   17.306   94.405   15.178  228.329   29.986  257.469   23.000 -29.13974 37.79075 
1 1 1    7   27   12 o  155.859   25.759   35.899   10.036   19.767   16.360   45.634   12.709  108.651   41.594  173.034   29.407 -64.38333 50.93925 
1 1 1    7   27   13 o   85.596   33.432   9.9158   10.726   23.730   22.535   5.8693   12.197  114.232   47.095   80.243   33.968 33.98910 58.06739 
1 1 1    7   27   14 o  115.459   33.284   22.013   10.501  -3.9390   22.924   28.903   11.813   85.895   40.365  131.846   34.272 -45.95188 52.95209 
1 1 1    7   27   15 o   70.925   29.948   4.1554   9.4417   4.3320   15.209   4.0446   12.043   81.758   36.220   75.999   32.984 5.759148 48.98814 
1 1 1    7   27   16 o  128.263   30.224   26.578   9.8769   41.128   15.465   16.555   12.835  150.274   39.289   98.494   37.043 51.77972 53.99760 
1 1 1    7   27   17 o  104.737   34.041   19.077   10.576   13.450   21.370   20.902   12.171   95.947   42.698  107.517   36.559 -11.57003 56.21143 
1 1 1    7   27   18 o  115.038   36.833   24.615   12.415   46.620   21.017   12.820   15.387  141.580   48.041   90.577   38.237 51.00257 61.40057 
1 1 1    7   27   19 o  160.520   26.175   40.277   10.508   37.968   13.697   43.580   16.383  143.548   36.697  147.387   41.272 -3.838516 55.22734 
1 1 1    7   27   20 o  132.728   26.456   28.094   8.7766   40.970   13.503   18.676   11.549  150.201   35.303   99.663   35.502 50.53807 50.06684 
1 1 1    7   27   21 o   77.538   29.016   9.5331   7.8562   15.769   11.893   4.7061   10.464   91.995   35.405   70.546   30.681 21.44934 46.84932 
1 1 1    7   27   22 o   92.265   32.933   15.701   9.9429 -20.7400   19.490   28.521   11.560   64.084   31.707  122.534   34.796 -58.45010 47.07513 
1 1 1    7   27   23 o   61.442   26.464   3.1179   7.6351   17.420   16.863  -0.5697   8.5630   91.265   39.319   57.473   26.165 33.79202 47.22961 
1 1 1    7   27   24 o   55.415   25.019  -0.0161   7.6338   11.110   16.499  -3.0469   8.6110   82.115   36.954   53.801   25.106 28.31419 44.67599 
1 1 1    7   27   25 o   58.912   25.000   3.4291   6.6326   25.000   17.992   0.0369   7.1351   96.921   41.155   53.663   24.211 43.25832 47.74884 
1 1 1    7   27   26 o   48.253   22.805  -4.1599   7.5061  -3.0590   17.690  -4.4016   8.2893   68.028   32.900   50.300   23.830 17.72737 40.62400 
1 1 1    7   27   27 o   81.232   30.579   13.086   8.7512   0.0000   0.0000   13.086   8.7512  ?   ?    81.232   30.579 0.000000 30.57936 
1 1 1    7   27   28 o   65.014   29.257   5.1262   10.341   0.0000   0.0000   5.1262   10.341  ?   ?    65.014   29.257 0.000000 29.25715 
1 1 1    7   27   29 o   94.851   28.852   17.981   7.7206   10.850   19.079   19.378   8.4427   73.144   35.065   96.345   30.322 -23.20018 46.35735 
1 1 1    7   27   30 o   52.087   23.997   0.4077   7.4932   28.650   18.547  -5.1017   8.1915   86.272   38.969   47.045   22.662 39.22747 45.07952 
1 1 1    7   27   31 o   73.550   28.835   11.755   8.0025   0.5394   18.666   14.280   8.8578   63.579   31.377   78.217   30.427 -14.63744 43.70757 
1 1 1    7   27   32 o   84.684   30.307   16.941   8.4255   20.110   18.060   16.060   9.5257   74.448   35.242   79.422   31.357 -4.973892 47.17297 
1 1 1    7   27   33 o   50.227   24.839  -7.8744   11.909  -8.0520   18.103  -7.7390   15.811   56.687   28.434   54.929   27.405 1.757469 39.49103 
1 1 1    7   27   34 o   35.706   17.988 -15.6867   7.6598 -48.5900   19.076  -9.3621   8.3636   45.094   23.177   41.685   20.650 3.409023 31.04178 
1 1 1    7   27   35 o   61.196   27.188   8.8282   8.6285   24.720   20.438   5.3816   9.5183   67.559   33.243   56.415   26.350 11.14410 42.41937 
1 1 1    7   28    0 o  167.165   26.556   41.198   11.115   40.225   16.710   41.971   14.885  152.112   41.331  160.261   36.653 -8.148209 55.24224 
1 1 1    7   28    1 o  129.287   31.100   26.048   10.288   16.344   14.756   35.226   14.351  102.975   39.484  145.314   37.776 -42.33934 54.64381 
1 1 1    7   28    2 o   96.241   33.522   14.166   10.253   30.113   14.710  -0.9026   14.299  132.349   39.730   76.025   34.290 56.32323 52.48144 
1 1 1    7   28    3 o   55.987   26.374  -7.8045   9.8921  -2.7762   14.543 -12.1346   13.495   74.335   33.941   62.567   29.857 11.76736 45.20440 
1 1 1    7   28    4 o  200.687   20.887   56.653   10.699   58.924   15.334   54.498   14.935  195.733   31.299  187.590   31.877 8.142960 44.67374 
1 1 1    7   28    5 o  259.887   16.788   92.249   11.241   87.154   16.248   96.926   15.568  243.926   26.122  260.317   23.335 -16.39058 35.02690 
1 1 1    7   28    6 o  293.940   16.015  117.493   12.148  108.003   17.835  125.706   16.592  271.998   25.615  298.360   21.615 -26.36191 33.51635 
1 1 1    7   28    7 o  139.071   28.656   29.621   9.9796   23.440   15.010   34.518   13.360  115.633   40.543  144.178   35.908 -28.54491 54.15862 
1 1 1    7   28    8 o   99.341   33.220   15.787   10.048   22.208   15.500   11.134   13.196  112.388   40.985   90.664   36.533 21.72346 54.90384 
1 1 1    7   28    9 o  263.443   17.109   95.525   11.612   87.701   17.681  101.460   15.398  239.695   29.072  265.871   22.573 -26.17601 36.80639 
1 1 1    7   28   10 o  335.912   14.471  152.570   12.592  172.808   18.392  134.716   17.275  349.885   20.382  306.912   21.873 42.97290 29.89692 
1 1 1    7   28   11 o   87.191   32.313   11.522   9.6969   13.700   15.437   10.102   12.463   95.230   39.086   86.655   35.292 8.574982 52.66159 
1 1 1    7   28   12 o  161.001   25.291   39.012   10.200   21.011   15.840   51.761   13.331  106.873   40.925  181.727   29.318 -74.85358 50.34243 
1 1 1    7   28   13 f  147.732   27.012   33.809   9.9558   42.012   16.111   28.741   12.663  149.366   40.584  126.696   36.558 22.67058 54.62216 
1 1 1    7   28   14 o  129.109   31.514   27.868   10.447   6.5180   20.608   35.253   12.120   88.048   40.279  144.077   33.163 -56.02860 52.17472 
1 1 1    7   28   15 f   66.148   29.593   0.9390   10.411   10.830   19.722  -2.8826   12.259   90.433   40.574   65.485   30.353 24.94785 50.67130 
1 1 1    7   28   16 o   62.335   29.236  -4.6710   11.925   12.730   21.286 -12.6300   14.396   91.933   41.617   61.032   29.556 30.90083 51.04443 
1 1 1    7   28   17 o   79.315   32.019   9.4473   10.156   4.0526   13.237   17.170   15.837   74.363   33.311   94.586   39.279 -20.22389 51.50220 
1 1 1    7   28   18 o   95.793   30.528   16.108   8.5364   15.474   13.532   16.528   11.002   90.905   36.867   94.041   34.493 -3.135384 50.48729 
1 1 1    7   28   19 o  138.137   25.484   30.506   8.7828   48.852   14.235   19.229   11.160  162.948   34.783   99.344   34.952 63.60365 49.31037 
1 1 1    7   28   20 o  102.900   29.734   18.751   8.3715   19.174   12.519   18.408   11.259   96.530   36.520   96.353   34.962 0.1766129 50.55771 
1 1 1    7   28   21 o   31.834   16.202 -25.4682   7.3237 -34.8092   11.153 -18.3881   9.7104   39.637   20.156   43.522   21.675 -3.884235 29.59904 
1 1 1    7   28   22 o   81.020   29.469   11.706   8.0057  -3.4636   10.809   30.136   11.915   58.411   27.533  121.559   35.574 -63.14744 44.98364 
1 1 1    7   28   23 o  128.273   24.984   27.165   8.0028   28.800   18.312   26.779   8.8974  100.489   42.026  123.210   28.453 -22.72046 50.75191 
1 1 1    7   28   24 o   80.851   28.465   12.057   7.4033   2.9140   16.648   14.310   8.2655   70.930   33.652   86.113   30.092 -15.18374 45.14374 
1 1 1    7   28   25 o   51.828   23.820  -0.6715   7.3218  -8.5370   16.047   1.3965   8.2281   60.997   29.902   57.103   25.860 3.894524 39.53292 
1 1 1    7   28   26 o   44.975   22.318 -14.3514   9.9283   0.0000   0.0000 -14.3514   9.9283  ?   ?    44.975   22.318 0.000000 22.31845 
1 1 1    7   28   27 o   48.741   23.498  -5.4877   8.8491 -10.1900   17.773  -3.9376   10.204   59.762   29.691   53.172   25.531 6.590187 39.15865 
1 1 1    7   28   28 f   69.432   27.475   9.4842   7.3283 -12.4200   17.062   14.439   8.1150   56.837   28.374   81.233   29.650 -24.39648 41.03963 
1 1 1    7   28   29 o   77.947   29.395   13.704   8.0940   10.360   16.955   14.690   9.2114   68.615   32.937   78.080   30.833 -9.464233 45.11630 
1 1 1    7   28   30 o   61.936   26.708   6.9953   7.7950  -0.7280   15.278   9.7133   9.0634   59.190   29.048   66.925   28.830 -7.735104 40.92611 
1 1 1    7   28   31 o   74.318   30.469   14.407   9.3672  -8.0750   17.432   23.533   11.107   56.048   28.084   88.489   34.170 -32.44163 44.22985 
1 1 1    7   28   32 o   66.379   29.321   11.252   9.8969   21.530   19.212   7.5397   11.547   69.875   33.911   61.263   28.744 8.612476 44.45407 
1 1 1    7   28   33 f   50.539   23.904   1.1261   8.2762   28.390   19.609  -4.7836   9.1292   70.962   34.397   46.145   22.607 24.81732 41.16053 
1 1 1    7   28   34 o   48.810   23.172   1.0331   7.9172   6.0690   19.732   0.0668   8.6435   57.575   28.987   48.700   23.413 8.875080 37.26208 
1 1 1    7   29    0 o  178.620   22.629   46.317   10.235   36.077   14.242   57.255   14.719  143.637   37.775  190.673   30.856 -47.03619 48.77562 
1 1 1    7   29    1 o  126.019   31.745   25.818   10.357   15.790   15.201   34.507   14.150   98.908   39.434  140.001   38.033 -41.09291 54.78588 
1 1 1    7   29    2 f  109.998   32.580   19.992   9.9413   16.902   14.274   22.903   13.854  100.546   38.761  113.015   38.988 -12.46941 54.97703 
1 1 1    7   29    3 o  236.608   18.477   78.266   11.235   64.196   16.051   91.777   15.730  200.455   31.988  249.410   24.671 -48.95450 40.39692 
1 1 1    7   29    4 o  200.172   20.971   57.368   10.712   51.884   15.371   62.548   14.938  176.547   34.848  200.139   29.716 -23.59280 45.79790 
1 1 1    7   29    5 o  350.479   14.003  166.124   12.712  142.512   17.903  190.135   18.054  314.285   22.132  368.091   19.000 -53.80579 29.16895 
1 1 1    7   29    6 o  233.827   18.556   76.793   11.146   62.267   16.679   88.517   14.984  193.317   34.578  245.051   23.910 -51.73376 42.03941 
1 1 1    7   29    7 o  178.999   22.593   46.959   10.242   34.465   15.258   57.207   13.819  135.011   40.447  191.320   28.775 -56.30904 49.63818 
1 1 1    7   29    8 o  181.042   22.776   48.273   10.445   51.235   16.334   46.223   13.585  169.373   38.146  167.320   32.516 2.053253 50.12427 
1 1 1    7   29    9 o   73.167   30.516   5.7598   9.6176  -9.8942   14.959   16.791   12.557   65.403   31.272   97.751   36.663 -32.34798 48.18846 
1 1 1    7   29   10 o   88.723   32.359   12.955   9.6627   24.812   15.134   4.7953   12.555  111.631   40.530   76.043   33.326 35.58793 52.47230 
1 1 1    7   29   11 o   97.787   34.577   17.064   10.936   21.060   21.012   15.579   12.807  101.783   43.870   93.872   36.567 7.910492 57.11174 
1 1 1    7   29   12 o  132.771   36.780   33.033   13.084   30.810   20.883   34.470   16.788  113.060   45.817  125.875   42.936 -12.81467 62.79077 
1 1 1    7   29   13 o   88.665   33.437   13.693   10.473   9.3003   14.177   18.970   15.539   82.528   35.802   97.590   39.532 -15.06261 53.33435 
1 1 1    7   29   14 o   98.701   33.109   17.865   9.9815   21.877   13.344   12.770   15.039  103.615   37.991   87.118   37.324 16.49744 53.25792 
1 1 1    7   29   15 o   82.965   32.468   11.738   10.132   0.2850   18.267   16.828   12.178   75.666   35.704   93.232   35.840 -17.56629 50.58915 
1 1 1    7   29   16 o   92.440   32.934   16.017   9.9388   22.070   19.464   13.882   11.559   96.761   41.963   86.697   34.443 10.06433 54.28868 
1 1 1    7   29   17 o   85.624   29.923   13.043   8.1735   13.690   13.170   12.637   10.424   85.447   35.679   83.564   32.862 1.883270 48.50735 
1 1 1    7   29   18 o   49.279   23.368  -5.2460   8.0086 -15.7278   11.539   4.4974   11.125   50.170   24.743   69.167   30.792 -18.99688 39.50147 
1 1 1    7   29   19 o   83.905   30.050   12.882   8.2847   10.417   12.206   14.987   11.281   78.389   33.606   86.640   34.150 -8.250916 47.91257 
1 1 1    7   29   20 o   59.495   26.145   2.6241   7.7733   2.1701   11.024   3.0730   10.963   64.726   29.553   65.802   29.820 -1.075882 41.98324 
1 1 1    7   29   21 o   40.058   19.730 -11.2320   7.2569  -5.1061   9.3729 -20.3995   11.466   52.355   24.956   46.273   23.125 6.081501 34.02287 
1 1 1    7   29   22 o   61.992   26.692   4.5495   7.7625   17.658   11.056  -8.1934   10.901   88.966   34.162   52.655   25.551 36.31100 42.66013 
1 1 1    7   29   23 o   63.244   28.083   4.5734   9.1952   3.9040   17.691   4.8212   10.763   70.175   33.674   65.411   29.604 4.763824 44.83659 
1 1 1    7   29   24 o   65.084   28.173   6.5152   8.7405   0.0000   0.0000   6.5152   8.7405  ?   ?    65.084   28.173 0.000000 28.17303 
1 1 1    7   29   25 o   53.635   25.795  -3.7239   10.513   0.0000   0.0000  -3.7239   10.513  ?   ?    53.635   25.795 0.000000 25.79504 
1 1 1    7   29   26 o   52.535   24.153   0.9318   7.5382  -5.5090   17.200   2.4631   8.3865   59.849   29.642   56.237   25.715 3.611214 39.24226 
1 1 1    7   29   27 o   53.064   24.414   1.5287   7.7199   8.3270   16.946  -0.2516   8.6721   66.494   32.169   52.400   24.687 14.09418 40.55006 
1 1 1    7   29   28 o   60.635   26.728   6.4486   8.1815   23.080   17.820   2.0062   9.2096   75.525   35.523   55.154   25.812 20.37123 43.91077 
1 1 1    7   29   29 o   55.107   25.188   3.5824   8.0347   1.2660   17.791   4.1760   9.0055   60.019   29.800   56.872   26.239 3.147533 39.70523 
1 1 1    7   29   30 o   70.409   32.036   16.496   12.814   0.8011   19.188   29.130   17.215   59.046   29.568   77.257   35.866 -18.21103 46.48318 
1 1 1    7   29   31 o   42.948   21.355  -9.4649   9.2680  -2.3860   18.600 -11.8028   10.689   56.090   28.227   44.189   22.120 11.90095 35.86174 
1 1 1    7   29   32 o   41.235   20.271  -5.8976   7.5408 -27.5900   19.169  -1.9260   8.2022   47.701   24.435   46.168   22.346 1.532505 33.11257 
1 1 1    7   29   33 o   55.562   25.356   6.9980   8.1031   11.010   19.665   6.1776   8.8931   57.293   28.857   54.446   25.443 2.847313 38.47198 
1 1 1    7   30    0 o  195.707   24.491   58.092   12.144   83.850   22.079   46.921   14.540  208.519   42.324  163.266   35.402 45.25224 55.17796 
1 1 1    7   30    1 o  174.920   27.362   48.116   11.991   48.050   21.995   48.144   14.304  140.735   49.093  166.937   34.229 -26.20164 59.84740 
1 1 1    7   30    2 o  181.124   27.183   51.492   12.360   24.230   21.126   65.679   15.240  105.881   44.757  200.875   30.226 -94.99409 54.00742 
1 1 1    7   30    3 o  129.288   33.656   29.358   11.381   26.470   19.868   30.768   13.884  109.142   44.517  125.960   38.763 -16.81813 59.02808 
1 1 1    7   30    4 o  116.464   33.584   24.119   10.689   45.650   20.020   15.532   12.642  140.371   46.891   93.503   36.357 46.86825 59.33470 
1 1 1    7   30    5 o   48.546   23.774 -14.3057   10.066 -42.1400   17.567  -0.6975   12.283   52.917   26.729   67.561   30.977 -14.64337 40.91474 
1 1 1    7   30    6 o   52.345   25.513 -13.5396   11.198 -14.4200   17.037 -12.8700   14.858   64.920   31.604   61.689   29.911 3.230320 43.51387 
1 1 1    7   30    7 o  205.526   26.212   66.370   13.637   62.360   21.767   68.960   17.496  163.084   48.184  195.818   35.813 -32.73398 60.03540 
1 1 1    7   30    8 o   72.188   31.672   4.6601   11.367 -11.2000   18.026   15.130   14.646   68.044   32.981   91.017   37.783 -22.97326 50.15274 
1 1 1    7   30    9 o  149.030   29.776   37.368   11.092   36.494   14.454   38.620   17.301  133.963   39.175  129.472   43.590 4.491119 58.60675 
1 1 1    7   30   10 o  163.885   24.461   42.005   10.066   39.562   14.573   44.235   13.921  139.795   38.847  153.856   35.632 -14.06158 52.71355 
1 1 1    7   30   11 o  145.884   26.030   34.321   9.4756   60.313   14.537   15.118   12.495  186.715   31.154   89.134   35.679 97.58040 47.36633 
1 1 1    7   30   12 o   77.117   29.747   9.7673   8.4106   12.155   13.508   8.2560   10.748   83.471   35.557   75.522   31.924 7.948990 47.78561 
1 1 1    7   30   13 o   51.961   24.412  -4.0646   8.3753  -2.8063   12.958  -4.9675   10.976   63.920   30.134   57.757   27.379 6.163582 40.71493 
1 1 1    7   30   14 o   51.535   24.397  -4.9260   8.6562 -14.7395   13.880   1.3207   11.074   56.042   27.540   64.674   29.564 -8.631443 40.40416 
1 1 1    7   30   15 o   97.263   33.163   18.878   10.016   1.7870   20.416   24.295   11.494   75.346   36.161  107.517   35.513 -32.17113 50.68327 
1 1 1    7   30   16 o   68.034   29.323   5.8785   9.3865   55.400   20.013  -8.0881   10.628  139.952   46.882   53.116   25.643 86.83568 53.43732 
1 1 1    7   30   17 o   64.977   27.311   5.5719   7.7950  -4.2593   10.634   16.990   11.460   56.383   26.792   88.928   34.605 -32.54529 43.76440 
1 1 1    7   30   18 o   59.784   26.147   3.2381   7.6929   3.8225   11.266   2.7276   10.530   66.203   30.091   63.767   29.025 2.436153 41.80757 
1 1 1    7   30   19 o  106.248   28.983   21.149   8.1976   2.8304   11.070   43.396   12.199   64.023   29.374  149.231   32.480 -85.20783 43.79275 
1 1 1    7   30   20 o   55.680   24.905   1.8272   7.3706  -5.9147   10.424   9.5675   10.423   52.992   25.536   72.421   31.051 -19.42877 40.20285 
1 1 1    7   30   21 o   60.046   26.272   4.2134   7.7740   2.9152   11.205   5.4183   10.795   62.682   29.042   65.367   29.610 -2.685326 41.47485 
1 1 1    7   30   22 f   76.016   29.840   12.190   8.5798   32.280   14.728   1.8708   10.556  102.489   39.411   59.730   27.848 42.75956 48.25655 
1 1 1    7   30   23 o   99.555   32.860   23.391   9.8408   25.010   12.299   20.510   16.407   93.886   36.035   79.568   36.222 14.31809 51.09316 
1 1 1    7   30   24 o   64.971   27.066   8.0774   7.5536   5.3290   17.757   8.6846   8.3465   65.333   31.905   66.149   28.056 -0.8161697 42.48652 
1 1 1    7   30   25 f   79.985   29.520   15.020   8.0762   1.8750   18.330   18.187   8.9965   62.215   30.776   85.361   31.210 -23.14586 43.83181 
1 1 1    7   30   26 o   42.122   20.756  -8.4556   8.0646 -10.7700   17.650  -7.8449   9.0663   54.978   27.645   44.960   22.127 10.01754 35.40956 
1 1 1    7   30   27 o   49.004   23.379  -1.0834   8.2622   15.860   18.275  -5.4363   9.2629   67.009   32.645   46.742   22.872 20.26683 39.85988 
1 1 1    7   30   28 o   45.855   22.599  -6.6040   9.5687   1.3720   18.209  -9.6470   11.247   58.209   29.097   46.695   23.267 11.51383 37.25636 
1 1 1    7   30   29 o   46.457   22.818  -4.7702   9.4892  -8.2100   18.463  -3.5354   11.062   53.477   27.058   49.567   24.403 3.909779 36.43673 
1 1 1    7   30   30 o   61.353   26.376   9.3645   7.5569   7.8450   19.722   9.6260   8.1813   58.052   29.195   61.247   26.871 -3.194870 39.67877 
1 1 1    7   30   31 o   67.020   28.417   14.062   8.5584   18.590   19.748   13.015   9.4966   60.074   30.070   63.393   28.319 -3.319046 41.30613 
1 1 1    7   30   32 o   49.657   24.206   2.5553   10.091   6.1050   18.977   1.1560   11.915   53.386   27.058   49.644   24.603 3.742039 36.57120 
1 1 1    7   31    0 o  128.621   29.367   28.367   9.5689   11.319   14.333   42.075   12.852   83.143   36.034  152.007   33.541 -68.86430 49.22814 
1 1 1    7   31    1 o   71.432   29.901   6.6911   9.2816   18.359   13.863  -2.7881   12.495   94.293   37.638   63.794   29.922 30.49910 48.08293 
1 1 1    7   31    2 o   59.475   27.067  -0.2907   9.1525   9.8362   13.834  -8.1730   12.205   80.664   35.177   58.102   27.905 22.56158 44.90059 
1 1 1    7   31    3 o   43.594   21.514 -14.3390   8.7737 -18.1403   13.151 -11.2903   11.778   53.049   26.210   54.480   26.465 -1.430630 37.24721 
1 1 1    7   31    4 o   42.821   21.164 -14.5604   8.6037 -21.9063   13.212  -9.1518   11.337   50.948   25.359   55.053   26.555 -4.105003 36.71842 
1 1 1    7   31    5 o  105.506   30.448   20.065   8.7833   17.122   13.606   22.168   11.501   91.299   36.988  104.495   35.537 -13.19635 51.29370 
1 1 1    7   31    6 o  159.665   24.148   40.380   9.6753   51.938   15.025   32.192   12.646  163.468   36.417  125.849   36.598 37.61927 51.62962 
1 1 1    7   31    7 o  150.739   25.384   36.834   9.5593   50.492   14.925   27.332   12.448  159.829   36.809  113.741   36.928 46.08742 52.14040 
1 1 1    7   31    8 o  136.651   28.074   31.893   9.6047   32.492   14.934   31.469   12.543  117.246   40.477  123.108   36.625 -5.862373 54.58797 
1 1 1    7   31    9 o   95.775   31.420   17.486   9.0023   12.852   13.457   21.240   12.111   82.497   35.324   99.014   36.210 -16.51788 50.58647 
1 1 1    7   31   10 o  176.454   21.013   47.796   9.4157   63.049   14.898   37.651   12.150  185.341   32.199  139.363   33.967 45.97745 46.80326 
1 1 1    7   31   11 o  143.376   24.881   33.739   8.9054   28.295   13.530   37.900   11.829  109.681   38.490  140.780   33.010 -31.09870 50.70685 
1 1 1    7   31   12 o   67.207   28.589   6.1256   8.7103   6.5123   13.379   5.8411   11.475   72.375   32.856   69.773   31.152 2.602409 45.27619 
1 1 1    7   31   13 o   50.056   23.604  -3.7157   7.9589   2.4457   11.360  -9.6552   11.154   64.815   29.745   52.515   25.566 12.30006 39.22197 
1 1 1    7   31   14 o   55.186   25.259  -0.0283   8.1188 -11.9441   12.826   7.9380   10.487   54.154   26.584   71.173   30.834 -17.01895 40.71222 
1 1 1    7   31   15 o   55.308   24.892   1.1925   7.4873  -6.8112   10.408   9.7778   10.779   52.613   25.394   73.767   31.601 -21.15431 40.54042 
1 1 1    7   31   16 o   69.469   29.584   8.0140   9.3458   23.130   16.913   1.3698   11.213   88.980   38.846   61.926   28.815 27.05470 48.36652 
1 1 1    7   31   17 o   65.614   28.789   6.1540   9.3932   7.9240   17.518   5.4398   11.128   72.429   34.409   66.126   29.998 6.303177 45.64886 
1 1 1    7   31   18 o   79.017   28.941   12.611   7.7409   8.8318   10.491   17.126   11.469   69.790   30.528   83.696   33.941 -13.90642 45.65068 
1 1 1    7   31   19 o  103.889   28.895   21.459   8.0588   13.281   12.051   28.075   10.839   75.332   32.842  109.338   34.348 -34.00604 47.52259 
1 1 1    7   31   20 o   53.220   24.951  -0.3781   8.6701   9.5260   14.774  -5.5806   10.708   69.228   32.492   51.888   25.212 17.34009 41.12644 
1 1 1    7   31   21 o   68.845   29.812   10.303   9.7941  -2.5300   12.556   30.250   15.653   56.292   27.340   90.471   38.400 -34.17856 47.13868 
1 1 1    7   31   22 o   67.417   28.074   9.7702   8.1222   9.5637   11.143   10.004   11.864   66.217   30.030   66.719   30.537 -0.5020599 42.82905 
1 1 1    7   31   23 o   41.749   20.513  -7.7622   7.6904  -9.8065   11.044  -5.8377   10.715   47.495   23.564   49.623   24.348 -2.127758 33.88325 
1 1 1    7   31   24 o   74.717   31.010   15.898   9.8627 -13.5700   17.833   28.884   11.838   53.211   26.884   94.290   35.551 -41.07878 44.57174 
1 1 1    7   31   25 o   65.131   28.052   10.472   8.5779   12.710   18.428   9.8531   9.6918   63.731   31.399   63.368   28.436 0.3627396 42.36217 
1 1 1    7   31   26 o   53.052   25.116   2.6471   9.1751   27.910   18.503  -5.5901   10.566   71.257   34.258   47.658   23.536 23.59903 41.56363 
1 1 1    7   31   27 o   47.017   23.547  -9.2612   12.183   7.3240   17.977 -23.3500   16.569   58.456   29.174   46.642   23.796 11.81376 37.64777 
1 1 1    7   31   28 o   35.411   17.917 -16.3137   8.0972   3.4200   18.062 -21.2772   9.0584   55.419   27.881   35.401   18.018 20.01857 33.19583 
1 1 1    7   31   29 o   44.324   21.642  -2.4242   8.1588   28.790   18.784  -9.6821   9.0578   64.696   31.841   40.620   20.338 24.07595 37.78210 
1 1 1    7   31   30 o   51.665   24.120   5.5479   7.9610   18.260   19.273   2.9328   8.7416   57.160   28.762   48.979   23.547 8.180553 37.17117 
1 1 1    7   32    0 o  109.469   31.010   22.878   9.1933   14.365   13.442   30.360   12.602   82.954   35.406  116.694   37.081 -33.74011 51.27004 
1 1 1    7   32    1 o  112.624   29.929   23.513   8.8801   19.001   13.438   27.011   11.831   90.503   36.727  111.162   35.995 -20.65986 51.42446 
1 1 1    7   32    2 o   69.560   28.744   7.4786   8.4210   11.513   11.953   3.5023   11.866   78.467   33.437   67.070   30.638 11.39670 45.35077 
1 1 1    7   32    3 o  216.631   17.398   68.987   9.6802   56.589   14.082   80.095   13.329  173.017   32.617  223.285   23.393 -50.26762 40.13854 
1 1 1    7   32    4 o  207.662   17.850   63.876   9.5085   69.893   13.345   57.670   13.552  204.268   25.796  178.028   30.483 26.24030 39.93320 
1 1 1    7   32    5 o  141.713   27.012   34.657   9.5535   36.959   13.606   32.419   13.417  127.387   38.203  117.329   38.351 10.05790 54.13231 
1 1 1    7   32    6 o   50.324   23.897  -4.5051   8.4316 -13.2811   12.297   3.2816   11.583   52.276   25.735   65.848   30.151 -13.57164 39.64051 
1 1 1    7   32    7 o  185.881   21.596   54.496   10.204   61.095   15.462   49.404   13.583  172.791   35.726  157.075   34.341 15.71617 49.55416 
1 1 1    7   32    8 o  199.497   20.433   61.770   10.410   54.997   15.818   66.944   13.826  155.736   39.230  194.176   28.321 -38.44057 48.38509 
1 1 1    7   32    9 o  165.186   22.601   44.075   9.4167   26.362   14.383   57.363   12.458   99.171   38.719  180.640   27.491 -81.46922 47.48596 
1 1 1    7   32   10 o   58.113   26.202   1.9805   8.3408 -13.2311   12.888   12.942   10.941   52.841   26.077   78.782   32.676 -25.94079 41.80593 
1 1 1    7   32   11 o   87.315   30.088   15.396   8.2494   22.928   11.423   7.1852   11.926   98.330   35.278   69.554   31.349 28.77615 47.19409 
1 1 1    7   32   12 o   75.911   29.461   11.328   8.2888   9.1953   11.941   13.312   11.515   71.730   31.920   78.056   33.022 -6.325882 45.92732 
1 1 1    7   32   13 o   73.188   28.329   10.263   7.6486  -8.6530   11.165   26.989   10.499   51.722   25.267  110.468   33.655 -58.74655 42.08437 
1 1 1    7   32   14 o   92.664   30.051   17.857   8.2442   10.677   11.807   24.687   11.516   72.447   32.013   99.206   35.440 -26.75880 47.75774 
1 1 1    7   32   15 o   95.774   29.903   19.146   8.2293   12.415   11.477   26.269   11.806   74.242   32.210  100.466   35.884 -26.22321 48.21979 
1 1 1    7   32   16 o   39.988   19.724 -10.0624   7.3419  -8.4776   10.056 -11.8718   10.744   48.417   23.721   47.496   23.507 0.9214897 33.39598 
1 1 1    7   32   17 o   55.331   26.527  -1.5415   10.922   0.0000   0.0000  -1.5415   10.922  ?   ?    55.331   26.527 0.000000 26.52694 
1 1 1    7   32   18 o   64.808   29.520   7.9190   10.918  -5.3990   15.562   20.830   15.322   57.300   28.347   78.090   35.334 -20.79021 45.29937 
1 1 1    7   32   19 o   72.263   29.577   12.588   8.8078   3.0752   10.787   31.620   15.257   58.079   27.415   89.957   38.031 -31.87795 46.88224 
1 1 1    7   32   20 o   84.768   29.534   17.211   7.9593   24.021   12.573   12.657   10.282   83.760   34.908   69.395   30.292 14.36452 46.21926 
1 1 1    7   32   21 o   52.019   24.034   2.2756   7.5950   1.0732   11.584   3.1821   10.059   55.120   26.650   55.785   26.375 -0.6645660 37.49470 
1 1 1    7   32   22 o   60.286   26.033   7.6949   7.4267  -7.0743   10.306   23.650   10.712   46.675   23.087   85.589   33.414 -38.91470 40.61413 
1 1 1    7   32   23 o   58.467   25.979   7.2160   7.8816   10.117   11.260   4.4300   11.036   61.690   28.762   55.891   26.761 5.798855 39.28555 
1 1 1    7   32   24 o   76.685   31.390   19.528   9.9224   10.110   17.425   24.047   12.070   59.554   29.556   77.497   33.326 -17.94225 44.54416 
1 1 1    7   32   25 o   57.709   27.619   8.3889   11.725   6.9120   17.496   9.5930   15.798   56.883   28.448   58.201   28.750 -1.318275 40.44528 
1 1 1    7   32   26 o   53.249   24.958   5.3341   8.6667   23.510   18.525   0.2410   9.8061   62.877   31.073   48.899   23.842 13.97712 39.16616 
1 1 1    7   32   27 o   51.503   24.436   4.7247   8.7806  -4.4130   18.671   7.3195   9.9495   50.650   25.788   54.406   25.871 -3.756718 36.52841 
1 1 1    7   32   28 o   69.981   29.045   17.697   8.6523   43.820   18.842   10.717   9.7400   68.612   33.363   56.692   26.536 11.92031 42.62915 
1 1 1    7   32   29 o   50.446   23.824   6.1641   8.1652   0.3529   17.643   7.7480   9.2111   48.737   24.837   51.975   24.765 -3.237984 35.07392 
1 1 1    7   33    0 o   92.251   32.286   18.742   9.5167   22.225   14.064   15.801   12.925   89.578   37.092   80.786   34.606 8.792183 50.72885 
1 1 1    7   33    1 o  101.633   29.832   20.578   8.3677   25.448   12.237   16.301   11.468  100.116   36.430   82.998   33.834 17.11840 49.71802 
1 1 1    7   33    2 o  130.766   26.903   30.731   8.8087   33.208   12.786   28.493   12.153  115.911   37.406  107.379   36.532 8.532074 52.28555 
1 1 1    7   33    3 o  105.267   29.969   22.070   8.5642   6.3900   11.723   40.017   12.542   67.461   30.675  134.325   35.508 -66.86330 46.92241 
1 1 1    7   33    4 o   68.265   28.003   8.2267   7.9176  -4.2453   11.049   21.389   11.351   55.106   26.488   93.251   34.881 -38.14514 43.79828 
1 1 1    7   33    5 o  117.981   29.977   27.345   9.1797   21.954   13.388   32.129   12.611   89.533   36.534  113.273   37.189 -23.74047 52.13189 
1 1 1    7   33    6 o  153.497   23.621   39.787   9.0906   47.711   13.184   32.607   12.551  148.481   34.874  114.234   37.081 34.24677 50.90366 
1 1 1    7   33    7 o  158.068   22.354   41.331   8.8976   36.803   14.045   44.366   11.500  115.902   39.273  150.634   30.518 -34.73119 49.73601 
1 1 1    7   33    8 o   45.896   22.210  -6.4052   8.0924 -18.2418   12.567   1.9798   10.577   48.095   24.061   59.988   27.937 -11.89365 36.87058 
1 1 1    7   33    9 o  103.744   30.198   22.297   8.6062   10.407   12.336   33.570   12.012   71.180   32.001  117.303   36.047 -46.12263 48.20231 
1 1 1    7   33   10 o   51.054   23.902  -1.0884   7.9095  -0.7485   11.639  -1.3801   10.782   57.955   27.676   56.117   26.754 1.837776 38.49327 
1 1 1    7   33   11 o   66.847   27.276   8.4404   7.4623   10.467   10.328   6.2269   10.795   70.308   30.529   64.250   29.300 6.058632 42.31421 
1 1 1    7   33   12 o   53.705   24.568   1.5887   7.6656   2.5692   11.465   0.7960   10.309   60.075   28.328   56.863   26.829 3.211498 39.01637 
1 1 1    7   33   13 o   82.096   29.821   15.375   8.1941   6.8292   12.012   22.812   11.206   64.354   29.904   90.650   34.490 -26.29609 45.64925 
1 1 1    7   33   14 o   63.541   27.847   7.5967   8.7660   31.820   14.498  -6.3636   11.006   94.734   38.251   50.646   24.814 44.08741 45.59438 
1 1 1    7   33   15 o   48.407   23.880  -8.2615   10.772 -17.0500   15.653  -0.3551   14.847   51.047   25.716   58.593   28.731 -7.545219 38.55848 
1 1 1    7   33   16 o   55.623   25.874   3.0912   9.0311   6.9729   11.550  -3.0160   14.487   61.728   28.894   55.842   27.574 5.886532 39.94018 
1 1 1    7   33   17 o   79.862   30.692   17.186   8.9297   3.0310   15.729   23.919   10.847   59.217   29.143   87.948   33.821 -28.73090 44.64520 
1 1 1    7   33   18 o   45.690   22.401  -5.5147   9.0148   5.6540   16.963  -9.9105   10.642   59.952   29.648   45.580   22.699 14.37184 37.33960 
1 1 1    7   33   19 o   54.220   24.766   4.4572   7.7514   11.637   11.863  -0.8924   10.240   63.472   29.569   50.790   24.673 12.68235 38.51061 
1 1 1    7   33   20 o   46.567   22.119  -0.2465   7.2342  -5.4220   9.9921   5.4546   10.487   46.378   22.901   56.062   26.630 -9.683968 35.12287 
1 1 1    7   33   21 o   48.974   23.099   1.6547   7.6306   4.4240   11.631  -0.4381   10.111   54.678   26.500   49.692   24.224 4.986191 35.90397 
1 1 1    7   33   22 o   51.265   24.342   3.2073   8.7457  -8.2380   16.479   7.6946   10.319   50.073   25.361   56.609   26.750 -6.536407 36.86088 
1 1 1    7   33   23 o   44.253   22.273 -10.1802   11.601  -2.3810   15.945 -18.9500   16.908   51.143   25.788   46.400   23.703 4.742817 35.02674 
1 1 1    7   33   24 o   42.905   20.838  -1.9087   7.2916   7.2346   10.197 -11.4762   10.431   54.255   25.908   41.482   20.909 12.77304 33.29287 
1 1 1    7   33   25 o   43.393   21.560  -4.3499   9.3761   0.4363   16.786  -6.5204   11.304   50.416   25.542   44.360   22.281 6.056015 33.89430 
1 1 1    7   33   26 o   40.421   20.104  -5.2657   8.2370 -10.8700   17.179  -3.5927   9.3863   46.051   23.555   43.108   21.444 2.943268 31.85354 
1 1 1    7   33   27 o   38.834   19.296  -4.8080   7.5160   14.310   17.074  -9.4031   8.3706   52.247   26.386   37.374   18.824 14.87392 32.41296 
1 1 1    7   34    0 f   55.936   26.031   1.5502   9.1564 -22.1300   16.857   11.461   10.905   51.976   26.245   70.771   31.037 -18.79559 40.64616 
1 1 1    7   34    1 o   48.574   23.333  -3.9178   8.5418 -17.6145   12.597   7.7400   11.622   47.392   23.765   65.692   30.124 -18.29988 38.36970 
1 1 1    7   34    2 o   66.922   28.471   8.9136   8.6399  -7.6240   13.537   20.280   11.223   54.348   26.803   85.890   33.996 -31.54147 43.29125 
1 1 1    7   34    3 f   70.657   28.981   10.770   8.4797   4.7426   12.128   16.536   11.861   62.454   29.353   77.723   33.219 -15.26923 44.32915 
1 1 1    7   34    4 o   73.841   29.725   12.426   8.7270 -12.2262   13.197   31.582   11.634   51.014   25.384  109.622   35.706 -58.60761 43.80947 
1 1 1    7   34    5 o   68.624   28.199   9.8629   8.0462   11.913   13.116   8.6260   10.189   70.013   32.068   65.983   29.415 4.029762 43.51486 
1 1 1    7   34    6 o   65.813   27.690   8.6525   8.0257   6.2108   12.096   10.573   10.727   63.304   29.612   68.534   30.387 -5.229595 42.42931 
1 1 1    7   34    7 o   55.289   25.774   1.7974   9.0390   23.850   18.617  -5.0046   10.339   77.055   36.263   50.556   24.613 26.49951 43.82722 
1 1 1    7   34    8 o   51.346   24.393  -1.0373   8.8043  -9.4720   16.082   2.5728   10.521   55.168   27.542   57.632   27.165 -2.464146 38.68480 
1 1 1    7   34    9 o   59.675   26.881   5.6582   8.7538 -13.8500   15.593   14.635   10.578   52.310   26.260   73.666   31.425 -21.35590 40.95235 
1 1 1    7   34   10 o   68.462   30.873   12.248   11.585 -12.0700   15.960   39.330   16.842   53.079   26.635   94.065   39.873 -40.98582 47.95107 
1 1 1    7   34   11 o   55.160   26.235   1.6969   10.242   0.3734   12.998   3.8650   16.636   56.587   27.560   60.877   29.962 -4.289101 40.70948 
1 1 1    7   34   12 o   78.738   31.804   18.147   10.027   0.1870   12.118   57.130   17.854   55.099   26.784  111.846   43.285 -56.74672 50.90134 
1 1 1    7   34   13 o   55.712   26.098   3.9169   9.4543   8.5897   11.822  -4.3750   15.748   61.676   28.985   54.627   27.269 7.049179 39.79623 
1 1 1    7   34   14 o   57.706   25.180   6.4764   7.0979   11.024   10.126   2.0839   9.9519   64.208   28.918   53.511   25.564 10.69733 38.59774 
1 1 1    7   34   15 o   61.078   26.660   8.7603   7.9626   6.6412   12.081   10.388   10.588   58.111   27.870   62.155   28.594 -4.043774 39.92957 
1 1 1    7   34   16 o   47.854   22.842   0.0655   7.9086   5.2692   11.722  -4.2826   10.715   56.004   27.011   47.974   23.694 8.030323 35.93016 
1 1 1    7   34   17 o   38.198   19.045  -9.6070   7.5814 -14.6447   10.295  -3.6376   11.207   40.948   20.657   48.401   23.964 -7.453117 31.63831 
1 1 1    7   34   18 o   47.596   23.125  -0.6070   9.0034   21.840   17.376  -8.8459   10.527   63.489   31.122   43.908   21.975 19.58109 38.09794 
1 1 1    7   34   19 o   60.534   27.872   11.918   10.088   28.880   18.464   4.7007   12.044   65.088   31.941   53.238   26.057 11.84991 41.22121 
1 1 1    7   34   20 o   56.986   27.415   10.591   11.899   5.0460   18.690   14.370   15.429   53.614   27.139   58.055   28.628 -4.440262 39.44667 
1 1 1    7   34   21 o   54.038   25.314   7.4900   8.8949   13.773   10.572  -7.7320   16.456   60.200   28.001   48.018   24.424 12.18245 37.15632 
1 1 1    7   34   22 o   48.151   22.960   3.2577   7.9472   13.130   11.022  -7.4324   11.469   57.829   27.421   43.778   22.049 14.05106 35.18566 
1 1 1    7   34   23 o   49.599   23.464   5.2156   7.9797   2.7800   11.821   7.2545   10.816   48.590   24.153   51.509   25.098 -2.919647 34.83229 
1 1 1    7   34   24 o   46.478   22.366   3.2827   7.9320  -3.0614   11.643   8.7770   10.835   44.432   22.357   51.465   25.086 -7.033401 33.60297 
1 1 1    7   34   25 o   61.626   27.871   18.212   9.5217   37.430   18.707   11.491   11.062   58.037   29.082   51.969   25.335 6.068214 38.57041 
1 1 1    7   34   26 o   32.087   16.393 -17.4451   8.1068 -11.0400   17.523 -19.1892   9.1442   42.710   21.953   33.313   17.051 9.397038 27.79642 
1 1 1    7   35    0 o  116.292   28.915   29.403   8.6732   28.581   12.254   30.228   12.277   91.188   35.701   94.418   36.059 -3.230522 50.74242 
1 1 1    7   35    1 o  175.632   21.604   54.340   9.6211   39.386   13.265   70.939   13.975  108.150   38.099  177.097   31.625 -68.94753 49.51460 
1 1 1    7   35    2 o   73.522   32.239   17.590   11.764   17.590   11.764   0.0000   0.0000   73.522   32.239  ?   ?  0.000000 32.23950 
1 1 1    7   35    3 o   65.855   28.866   10.915   9.4225   8.6138   11.455   15.730   16.569   62.093   28.970   66.994   32.261 -4.900883 43.35887 
1 1 1    7   35    4 o   65.384   28.886   10.844   9.6085   8.7412   11.225   16.610   18.587   62.028   28.851   66.447   32.490 -4.419682 43.45115 
1 1 1    7   35    5 o   61.559   26.969   8.2972   8.2155   21.003   11.252  -6.2131   12.024   79.262   33.027   49.962   24.753 29.29960 41.27351 
1 1 1    7   35    6 o   64.749   27.602   10.156   8.1512   21.373   11.864   0.1257   11.218   77.626   33.201   53.244   25.856 24.38216 42.08152 
1 1 1    7   35    7 o   58.197   27.373   6.2626   10.582   0.0000   0.0000   6.2626   10.582  ?   ?    58.197   27.373 0.000000 27.37337 
1 1 1    7   35    8 o   68.800   28.165   12.424   7.9896   9.3009   11.194   15.668   11.407   61.057   28.537   68.696   30.837 -7.638954 42.01519 
1 1 1    7   35    9 o   67.675   28.020   12.219   8.0247   25.104   11.466  -0.1503   11.235   82.782   33.798   51.947   25.370 30.83453 42.26068 
1 1 1    7   35   10 o   53.646   24.775   4.5245   8.0573   0.7124   11.514   8.1830   11.279   52.364   25.597   58.682   27.800 -6.317474 37.78947 
1 1 1    7   35   11 o   37.351   18.653 -10.3207   7.4009  -2.3820   10.448 -18.3146   10.485   48.621   23.894   39.749   20.143 8.872059 31.25119 
1 1 1    7   35   12 o   51.148   23.985   3.3704   8.0208   5.8709   11.510   1.0102   11.183   55.286   26.690   51.305   25.110 3.981060 36.64545 
1 1 1    7   35   13 o   47.726   22.887   0.7122   8.1434 -11.1996   11.872   11.296   11.191   44.440   22.388   59.704   28.103 -15.26355 35.93064 
1 1 1    7   35   14 o   45.086   21.900  -1.3977   8.0630  -1.9016   11.552  -0.9191   11.259   48.560   24.093   48.940   24.193 -0.3807220 34.14386 
1 1 1    7   35   15 o   44.739   21.766  -1.3052   8.0462   2.7425   11.239  -5.5609   11.524   50.851   24.947   45.946   22.995 4.904545 33.92799 
1 1 1    7   35   16 o   51.268   24.644   4.7743   9.5677  -9.0280   16.023   12.423   11.928   47.493   24.152   57.747   27.695 -10.25424 36.74647 
1 1 1    7   35   17 o   65.201   30.258   21.470   12.235   10.740   17.580   31.550   17.039   54.057   27.234   64.612   31.487 -10.55562 41.63086 
1 1 1    7   35   18 o   52.034   24.918   6.8673   9.5771  -3.7080   11.341   33.160   17.882   45.289   22.687   63.005   31.020 -17.71520 38.43098 
1 1 1    7   35   19 o   67.291   29.799   20.877   10.285   25.240   18.406   18.896   12.402   57.454   28.798   60.023   28.638 -2.569736 40.61349 
1 1 1    7   35   20 o   56.012   25.830   11.276   8.7111   13.322   12.386   9.2743   12.254   54.397   26.582   51.716   25.504 2.681454 36.83828 
1 1 1    7   35   21 o   80.290   30.750   25.772   8.9436   31.254   13.095   20.980   12.244   67.065   31.184   59.320   28.344 7.744934 42.14030 
1 1 1    7   35   22 f   39.143   19.502  -3.9642   7.8927 -17.1393   11.026   9.8820   11.303   37.176   19.003   50.186   24.700 -13.00994 31.16428 
1 1 1    7   35   23 o   43.430   21.262   2.3890   8.0338  -7.9717   10.701   15.774   12.162   39.478   20.041   52.068   25.625 -12.59058 32.53178 
1 1 1    7   35   24 o   40.427   20.079  -0.2569   8.1049   6.4743   11.203  -7.6497   11.740   45.454   22.737   39.551   20.165 5.902695 30.39063 
1 1 1    7   36    0 o   38.778   19.714 -20.2138   10.621 -20.2138   10.621   0.0000   0.0000   38.778   19.714  ?   ?  0.000000 19.71424 
1 1 1    7   36    1 o   57.526   25.914   8.1088   8.1369  -4.6010   11.330   21.645   11.693   47.386   23.569   71.988   31.832 -24.60258 39.60762 
1 1 1    7   36    2 o   70.081   28.668   14.972   8.2698   20.342   11.301   8.7800   12.134   71.002   31.349   57.178   27.553 13.82382 41.73645 
1 1 1    7   36    3 o   51.764   24.181   4.2436   8.0219   15.972   11.418  -7.1891   11.273   64.726   29.746   45.701   22.853 19.02489 37.51127 
1 1 1    7   36    4 o   68.069   28.225   14.100   8.1600   5.2738   11.750   22.322   11.341   53.995   26.276   73.255   31.900 -19.26052 41.32869 
1 1 1    7   36    5 o   44.878   21.657  -0.9644   7.5620 -13.1326   10.528   12.003   10.868   41.370   20.872   60.130   28.109 -18.76071 35.01060 
1 1 1    7   36    6 o   57.965   26.138   9.0717   8.3022   7.1354   11.801   10.969   11.682   54.882   26.621   58.191   27.771 -3.308758 38.47002 
1 1 1    7   36    7 o   48.771   23.222   2.4380   8.0683  -1.5568   11.711   6.0470   11.131   48.546   24.116   53.593   25.962 -5.046463 35.43478 
1 1 1    7   36    8 o   50.484   23.596   4.3099   7.6530   3.6706   10.502   5.0337   11.175   51.099   24.861   52.395   25.526 -1.295898 35.63234 
1 1 1    7   36    9 o   56.806   25.600   8.9339   7.9499  -8.8472   11.903   23.254   10.682   44.326   22.342   73.781   31.529 -29.45533 38.64202 
1 1 1    7   36   10 o   44.039   21.541  -1.5984   8.1906   14.064   11.885 -15.7679   11.304   58.768   28.037   40.383   20.511 18.38534 34.73882 
1 1 1    7   36   11 o   36.944   18.516  -9.3380   7.5973  -7.8230   10.618 -10.9270   10.875   42.742   21.486   41.569   21.001 1.173149 30.04481 
1 1 1    7   36   12 o   51.919   24.976   6.8244   9.8721   13.550   17.151   3.4923   12.072   54.339   27.314   49.707   24.657 4.631523 36.79733 
1 1 1    7   36   13 o   47.634   23.413   2.2283   10.047   4.4220   17.855   1.2118   12.153   50.447   25.638   47.944   23.937 2.502918 35.07581 
1 1 1    7   36   14 o   59.372   28.390   18.743   12.331   28.260   17.841   10.040   17.062   58.603   29.218   51.682   26.133 6.920845 39.19986 
1 1 1    7   36   15 o   43.780   21.512  -0.2200   8.4603  -8.7621   9.9928   21.400   15.898   40.222   20.298   56.252   27.970 -16.03076 34.55881 
1 1 1    7   36   16 o   38.549   19.320  -6.7948   8.2741  -5.6205   11.663  -7.9847   11.740   42.960   21.709   42.031   21.301 0.9294472 30.41401 
1 1 1    7   36   17 o   45.154   21.995   2.6276   8.2887   1.1574   12.121   3.9188   11.360   45.784   23.007   47.038   23.429 -1.254143 32.83669 
1 1 1    7   36   18 o   50.113   23.782   8.1855   8.3267   19.402   12.107  -1.8818   11.470   56.247   27.207   43.412   21.887 12.83588 34.91783 
1 1 1    7   36   19 o   48.978   23.898   8.9320   9.9042  -7.2460   18.151   15.791   11.819   43.654   22.435   52.624   25.769 -8.969707 34.16635 
1 1 1    7   36   20 f   45.875   22.517   5.9994   9.1897   6.1810   17.666   5.9320   10.760   45.536   23.335   45.664   22.755 -0.1284332 32.59315 
1 1 1    7   36   21 o   37.131   18.724  -5.4514   8.4191  -6.6914   12.179  -4.3165   11.652   39.711   20.273   40.233   20.473 -0.5211182 28.81176 
1 1 1    7   36   22 o   49.591   23.738   12.431   8.6711   8.7019   12.064   16.416   12.472   44.514   22.443   48.007   24.010 -3.492928 32.86639 
1 1 1    7   37    0 o   46.251   22.308   2.3096   7.9995  -2.3421   10.891   7.7594   11.788   45.000   22.496   51.544   25.340 -6.544140 33.88529 
1 1 1    7   37    1 o   49.086   23.382   4.8884   8.1997   8.6611   11.631   1.1600   11.562   52.202   25.562   47.376   23.604 4.825871 34.79353 
1 1 1    7   37    2 o   52.070   24.371   7.4341   8.2140   3.5939   12.189   10.629   11.118   48.921   24.351   53.871   26.061 -4.950684 35.66724 
1 1 1    7   37    3 o   54.016   25.000   9.0246   8.2704   18.046   11.598  -0.3086   11.797   59.995   28.352   46.545   23.290 13.44957 36.69176 
1 1 1    7   37    4 o   38.848   19.557  -9.1309   8.9747  -6.0110   14.975 -10.8796   11.211   45.725   23.262   40.997   20.781 4.728077 31.19284 
1 1 1    7   37    5 o   47.011   22.956   2.8567   9.1879  -4.2190   15.950   6.3704   11.240   46.535   23.706   50.079   24.644 -3.544910 34.19518 
1 1 1    7   37    6 o   64.508   28.521   18.188   9.3852  -4.5460   15.526   31.279   11.781   46.057   23.455   74.616   32.503 -28.55912 40.08212 
1 1 1    7   37    7 o   47.539   23.240   3.9020   9.4961   16.930   16.051  -3.1130   11.779   53.658   26.895   44.426   22.371 9.232426 34.98298 
1 1 1    7   37    8 o   44.116   22.174  -2.5754   11.295  -0.0054   16.309  -4.9440   15.657   47.121   24.001   45.453   23.184 1.668316 33.37022 
1 1 1    7   37    9 o   53.516   25.959   12.755   11.222   7.9280   16.488   16.920   15.317   49.288   25.007   53.163   26.592 -3.875328 36.50318 
1 1 1    7   37   10 o   48.216   23.519   5.8826   9.5695  -4.8229   11.718   27.320   16.582   42.826   21.656   56.401   28.127 -13.57483 35.49797 
1 1 1    7   37   11 o   50.894   24.369   9.0993   9.1540   6.6051   11.408   13.610   15.341   48.209   23.923   50.697   25.529 -2.487968 34.98608 
1 1 1    7   37   12 o   59.378   26.567   15.161   8.3934   9.6233   11.780   20.871   11.962   49.520   24.528   57.575   27.644 -8.054909 36.95692 
1 1 1    7   37   13 o   38.717   19.310  -3.8361   7.8242   24.040   11.918 -24.9536   10.373   59.708   28.370   33.592   17.255 26.11615 33.20525 
1 1 1    7   37   14 o   45.485   21.996   4.7428   7.9015 -10.3286   11.569   17.919   10.817   39.289   20.030   55.433   26.529 -16.14383 33.24142 
1 1 1    7   37   15 o   34.506   17.716 -21.6056   10.729 -21.6056   10.729   0.0000   0.0000   34.506   17.716  ?   ?  0.000000 17.71624 
1 1 1    7   37   16 o   58.282   26.122   16.277   8.1527   25.026   11.707   8.0391   11.360   57.680   27.603   46.112   23.040 11.56840 35.95534 
1 1 1    7   37   17 o   36.071   18.236  -6.7785   8.2844 -11.0524   12.168  -3.0853   11.311   38.115   19.520   40.244   20.448 -2.128918 28.26951 
1 1 1    7   37   18 o   31.604   16.142 -14.1660   7.8143 -17.8507   11.599 -11.1038   10.574   35.245   18.112   36.242   18.533 -0.9974365 25.91339 
1 1 1    7   37   19 o   30.094   15.419 -16.4580   7.6648 -24.2331   11.373  -9.9879   10.375   32.991   16.994   35.830   18.325 -2.838768 24.99174 
1 1 1    7   38    0 o   41.648   20.832  -0.9408   9.3977   8.1539   11.855 -16.3200   15.416   47.319   23.628   40.284   20.703 7.034897 31.41489 
1 1 1    7   38    1 o   38.599   19.464  -5.9538   9.0942  -5.4661   11.571  -6.7420   14.709   40.970   20.803   42.230   21.615 -1.260536 29.99996 
1 1 1    7   38    2 o   38.569   19.461  -6.1219   9.1653 -18.9077   11.507   16.070   15.159   36.419   18.674   49.672   25.059 -13.25333 31.25166 
1 1 1    7   38    3 o   40.136   19.943  -1.4291   8.0298  -1.0795   10.808  -1.8597   11.996   42.323   21.327   42.546   21.559 -0.2231407 30.32493 
1 1 1    7   38    4 o   47.279   22.780   6.9538   8.2908   12.470   11.312   0.5521   12.186   49.946   24.606   43.512   22.012 6.433292 33.01521 
1 1 1    7   38    5 o   52.661   24.788   12.420   8.7062   16.101   12.177   8.5700   12.452   51.362   25.347   46.989   23.572 4.372879 34.61328 
1 1 1    7   38    6 o   34.856   17.668 -10.1092   8.0973 -19.0735   11.702  -1.8735   11.216   36.300   18.629   41.807   21.146 -5.507217 28.18112 
1 1 1    7   38    7 o   50.932   23.934   10.584   8.0570   9.2708   10.928   12.149   11.926   47.393   23.501   48.621   24.183 -1.227554 33.72121 
1 1 1    7   38    8 o   43.678   21.366   3.9351   8.0617  -1.1541   11.712   8.5173   11.113   41.911   21.244   46.560   23.189 -4.649570 31.44859 
1 1 1    7   38    9 f   43.257   21.226   3.7442   8.1480   5.1080   12.089   2.6088   11.030   44.354   22.376   43.094   21.693 1.260323 31.16562 
1 1 1    7   38   10 o   45.542   22.221   6.8686   8.5616   3.7265   12.163   9.9547   12.054   43.394   21.957   46.238   23.195 -2.844131 31.93901 
1 1 1    7   38   11 o   30.699   15.698 -16.0264   7.5863 -10.8982   10.331 -22.0275   11.176   36.462   18.618   34.094   17.525 2.367889 25.56869 
1 1 1    7   38   12 o   44.920   21.888   7.0835   8.2271   8.3605   11.258   5.6197   12.053   44.647   22.399   43.248   21.880 1.398525 31.31220 
1 1 1    7   38   13 o   47.384   22.938   10.815   8.6495   10.885   12.343   10.747   12.125   44.827   22.614   44.853   22.600 -0.2587891E-01 31.97120 
1 1 1    7   38   14 o   44.831   22.005   8.8806   8.7791   9.5966   12.704   8.2262   12.145   43.454   22.037   43.053   21.802 0.4002953 30.99903 
1 1 1    7   38   15 o   38.630   19.410   0.7161   8.6168   6.8343   12.235  -5.3056   12.138   41.748   21.218   37.794   19.366 3.954620 28.72714 
1 1 1    7   38   16 o   38.914   19.390   2.6136   7.8094  -1.8642   10.513   8.1256   11.664   37.598   19.162   41.516   21.060 -3.917816 28.47294 
1 1 1    7   38   17 o   45.241   22.782   20.201   12.222   20.201   12.222   0.0000   0.0000   45.241   22.782  ?   ?  0.000000 22.78195 
1 1 1    7   39    0 o   40.306   20.127   2.3921   8.6099  -7.6100   12.279   12.067   12.076   37.837   19.394   44.855   22.595 -7.017406 29.77710 
1 1 1    7   39    1 o   57.907   26.378   20.632   8.7187   9.5042   12.218   32.177   12.446   43.677   22.089   56.247   27.296 -12.57041 35.11397 
1 1 1    7   39    2 o   37.232   18.725  -2.1777   8.1166 -13.3278   10.993   11.184   12.034   35.311   18.117   44.433   22.404 -9.122002 28.81266 
1 1 1    7   39    3 o   34.356   17.431  -7.3477   8.0128   10.235   11.923 -21.8279   10.821   43.957   22.182   32.882   16.919 11.07543 27.89789 
1 1 1    7   39    4 o   46.290   22.474   10.426   8.4606   4.0463   12.462   15.881   11.523   41.303   21.033   46.874   23.388 -5.570538 31.45394 
1 1 1    7   39    5 o   39.245   19.613   1.4634   8.2527   8.1394   11.819  -4.8873   11.528   42.742   21.629   37.941   19.397 4.801441 29.05305 
1 1 1    7   39    6 o   50.548   23.974   15.041   8.4348   12.710   11.603   17.652   12.283   44.643   22.444   46.512   23.343 -1.868465 32.38258 
1 1 1    7   39    7 o   37.306   18.790  -1.2275   8.3387  -4.4349   11.505   2.3227   12.104   37.688   19.277   40.050   20.424 -2.361534 28.08464 
1 1 1    7   39    8 o   44.184   21.744   9.6834   8.7520  -1.0919   12.564   19.840   12.198   38.776   19.857   46.842   23.474 -8.066311 30.74627 
1 1 1    7   39    9 o   37.352   18.819  -0.2444   8.3983  -5.0283   11.789   4.6857   11.967   37.079   19.006   40.173   20.471 -3.093803 27.93375 
1 1 1    7   39   10 o   34.654   17.621  -5.3161   8.5191 -10.6946   11.819   0.5003   12.291   35.272   18.128   38.457   19.690 -3.184944 26.76362 
1 1 1    7   39   11 o   35.321   17.873  -2.4165   8.0672  -0.2965   11.108  -4.7823   11.735   37.531   19.176   36.388   18.673 1.143200 26.76552 
1 1 1    7   39   12 o   41.652   20.663   8.8731   8.4852   15.345   11.938   2.2664   12.062   42.503   21.533   37.971   19.446 4.531384 29.01442 
1 1 1    7   39   13 o   34.666   17.619  -2.5353   8.4391  -6.6732   12.001   1.5118   11.869   35.086   18.041   37.161   19.049 -2.075016 26.23643 
1 1 1    7   39   14 o   38.634   20.016   17.470   20.224   17.470   20.224   0.0000   0.0000   38.634   20.016  ?   ?  0.000000 20.01619 
1 1 1    7   40    0 o   49.370   23.560   18.992   8.4047   19.056   11.749   18.925   12.028   42.947   21.713   42.613   21.592 0.3341675 30.62132 
1 1 1    7   40    1 o   39.860   19.929   7.8520   8.5574   11.638   12.051   4.0018   12.153   39.910   20.355   37.552   19.251 2.357784 28.01686 
1 1 1    7   40    2 o   29.983   15.402 -14.0938   8.2699  -9.5198   11.734 -18.6081   11.657   34.011   17.507   32.068   16.548 1.943268 24.08958 
1 1 1    7   40    3 o   33.306   16.977  -4.6319   8.2751   10.905   11.916 -19.1036   11.500   39.540   20.174   31.796   16.408 7.744553 26.00380 
1 1 1    7   40    4 o   40.846   20.366   10.068   8.6754   8.5472   12.149   11.651   12.393   38.558   19.729   39.430   20.155 -0.8718300 28.20331 
1 1 1    7   40    5 o   45.099   22.030   15.706   8.4808   18.270   11.875   13.037   12.116   41.793   21.206   39.754   20.288 2.039635 29.34794 
1 1 1    7   40    6 o   41.442   20.510   10.967   8.1770   13.283   11.529   8.6226   11.600   39.845   20.284   38.227   19.536 1.618595 28.16243 
1 1 1    7   40    7 o   33.123   16.895  -3.5930   8.3071 -13.9175   11.317   8.4690   12.232   32.123   16.565   37.707   19.330 -5.584175 25.45659 
1 1 1    7   40    8 o   47.208   22.814   19.616   8.4672   28.334   12.547   12.326   11.474   43.608   22.091   38.756   19.775 4.852047 29.64959 
1 1 1    7   40    9 o   30.972   15.883  -8.1274   8.3382   4.6345   12.073 -19.7663   11.530   35.932   18.466   30.662   15.845 5.270115 24.33188 
1 1 1    8    0    0 o  256.407   10.990   85.766   7.2684   85.766   7.2684   85.766   7.2684  256.407   10.990  256.407   10.990 0.000000 0.000000 
1 1 1    8    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0    2 o  152.387   11.332   30.625   4.4161   30.625   4.4161   30.625   4.4161  152.387   11.332  152.387   11.332 0.000000 0.000000 
1 1 1    8    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0    4 o  953.771   15.650  1182.76   38.640  1182.76   38.640  1182.76   38.640  953.771   15.650  953.771   15.650 0.000000 0.000000 
1 1 1    8    0    5 o  820.043   14.359  873.832   30.480  873.832   30.480  873.832   30.480  820.043   14.359  820.043   14.359 0.000000 0.000000 
1 1 1    8    0    6 o  150.300   11.834   29.840   4.5417   29.840   4.5417   29.840   4.5417  150.300   11.834  150.300   11.834 0.000000 0.000000 
1 1 1    8    0    7 o  455.510   11.639  269.592   13.713  269.592   13.713  269.592   13.713  455.510   11.639  455.510   11.639 0.000000 0.000000 
1 1 1    8    0    8 o   77.117   22.168   9.4061   3.8401   9.4061   3.8401   9.4061   3.8401   77.117   22.168   77.117   22.168 0.000000 0.000000 
1 1 1    8    0    9 o  372.346   11.244  180.210   10.822  180.210   10.822  180.210   10.822  372.346   11.244  372.346   11.244 0.000000 0.000000 
1 1 1    8    0   10 o  670.399   13.189  583.385   22.884  583.385   22.884  583.385   22.884  670.399   13.189  670.399   13.189 0.000000 0.000000 
1 1 1    8    0   11 o  188.178   12.173   46.473   5.8767   46.473   5.8767   46.473   5.8767  188.178   12.173  188.178   12.173 0.000000 0.000000 
1 1 1    8    0   12 o  616.490   18.222  494.400   29.041  494.400   29.041  494.400   29.041  616.490   18.222  616.490   18.222 0.000000 0.000000 
1 1 1    8    0   13 o  719.376   19.632  673.100   36.520  673.100   36.520  673.100   36.520  719.376   19.632  719.376   19.632 0.000000 0.000000 
1 1 1    8    0   14 o   39.390   24.735   0.9998   5.2658   0.9998   5.2658   0.9998   5.2658   39.390   24.735   39.390   24.735 0.000000 0.000000 
1 1 1    8    0   15 o  413.293   12.707  222.050   13.575  222.050   13.575  222.050   13.575  413.293   12.707  413.293   12.707 0.000000 0.000000 
1 1 1    8    0   16 o  147.636   17.917   29.505   6.5833   29.505   6.5833   29.505   6.5833  147.636   17.917  147.636   17.917 0.000000 0.000000 
1 1 1    8    0   17 o   62.683   30.473   7.5255   5.8051   7.5255   5.8051   7.5255   5.8051   62.683   30.473   62.683   30.473 0.000000 0.000000 
1 1 1    8    0   18 o  1049.10   16.998  1429.56   46.164  1429.56   46.164  1429.56   46.164  1049.10   16.998  1049.10   16.998 0.000000 0.000000 
1 1 1    8    0   19 o  225.550   14.668   66.832   8.4866   66.832   8.4866   66.832   8.4866  225.550   14.668  225.550   14.668 0.000000 0.000000 
1 1 1    8    0   20 o  104.381   29.481   17.176   6.9025   17.176   6.9025   17.176   6.9025  104.381   29.481  104.381   29.481 0.000000 0.000000 
1 1 1    8    0   21 o   86.297   32.593   13.125   6.8268   13.125   6.8268   13.125   6.8268   86.297   32.593   86.297   32.593 0.000000 0.000000 
1 1 1    8    0   22 o  157.826   32.159   36.300   11.631   36.300   11.631   36.300   11.631  157.826   32.159  157.826   32.159 0.000000 0.000000 
1 1 1    8    0   23 o  211.263   25.172   60.680   13.259   60.680   13.259   60.680   13.259  211.263   25.172  211.263   25.172 0.000000 0.000000 
1 1 1    8    0   24 o  315.306   14.046  129.922   11.420  129.922   11.420  129.922   11.420  315.306   14.046  315.306   14.046 0.000000 0.000000 
1 1 1    8    0   25 o  390.468   13.692  198.887   13.810  198.887   13.810  198.887   13.810  390.468   13.692  390.468   13.692 0.000000 0.000000 
1 1 1    8    0   26 o  145.723   23.054   29.777   8.0503   29.777   8.0503   29.777   8.0503  145.723   23.054  145.723   23.054 0.000000 0.000000 
1 1 1    8    0   27 o  106.369   30.864   18.204   7.3802   18.204   7.3802   18.204   7.3802  106.369   30.864  106.369   30.864 0.000000 0.000000 
1 1 1    8    0   28 o  215.282   16.848   61.688   9.2627   61.688   9.2627   61.688   9.2627  215.282   16.848  215.282   16.848 0.000000 0.000000 
1 1 1    8    0   29 o   58.265   32.205   6.4206   7.1000   6.4206   7.1000   6.4206   7.1000   58.265   32.205   58.265   32.205 0.000000 0.000000 
1 1 1    8    0   30 o  143.436   23.473   29.276   8.0197   29.276   8.0197   29.276   8.0197  143.436   23.473  143.436   23.473 0.000000 0.000000 
1 1 1    8    0   31 o  155.567   22.010   33.895   8.3573   33.895   8.3573   33.895   8.3573  155.567   22.010  155.567   22.010 0.000000 0.000000 
1 1 1    8    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0   33 o  105.150   34.964   19.382   8.4787   19.382   8.4787   19.382   8.4787  105.150   34.964  105.150   34.964 0.000000 0.000000 
1 1 1    8    0   34 o   46.005   29.318   1.5760   7.7156   1.5760   7.7156   1.5760   7.7156   46.005   29.318   46.005   29.318 0.000000 0.000000 
1 1 1    8    0   35 o   38.097   25.873  -3.1136   7.7041  -3.1136   7.7041  -3.1136   7.7041   38.097   25.873   38.097   25.873 0.000000 0.000000 
1 1 1    8    0   36 o   97.407   36.489   18.191   8.5919   18.191   8.5919   18.191   8.5919   97.407   36.489   97.407   36.489 0.000000 0.000000 
1 1 1    8    0   37 o  107.175   36.510   21.343   9.0905   21.343   9.0905   21.343   9.0905  107.175   36.510  107.175   36.510 0.000000 0.000000 
1 1 1    8    0   38 o  178.773   24.760   47.030   10.838   47.030   10.838   47.030   10.838  178.773   24.760  178.773   24.760 0.000000 0.000000 
1 1 1    8    0   39 o  109.033   38.333   23.307   9.8211   23.307   9.8211   23.307   9.8211  109.033   38.333  109.033   38.333 0.000000 0.000000 
1 1 1    8    0   40 o  117.582   37.879   26.569   10.187   26.569   10.187   26.569   10.187  117.582   37.879  117.582   37.879 0.000000 0.000000 
1 1 1    8    0   41 o   79.452   47.453   21.470   17.291   21.470   17.291   21.470   17.291   79.452   47.453   79.452   47.453 0.000000 0.000000 
1 1 1    8    0   42 o   72.237   39.136   14.786   10.265   14.786   10.265   14.786   10.265   72.237   39.136   72.237   39.136 0.000000 0.000000 
1 1 1    8    0   43 o   76.144   40.540   17.413   10.835   17.413   10.835   17.413   10.835   76.144   40.540   76.144   40.540 0.000000 0.000000 
1 1 1    8    0   44 o  115.296   40.715   30.400   11.050   30.400   11.050   30.400   11.050  115.296   40.715  115.296   40.715 0.000000 0.000000 
1 1 1    8    0   45 o   66.785   38.342   15.352   10.565   15.352   10.565   15.352   10.565   66.785   38.342   66.785   38.342 0.000000 0.000000 
1 1 1    8    0   46 o   30.114   21.999 -16.2857   10.482 -16.2857   10.482 -16.2857   10.482   30.114   21.999   30.114   21.999 0.000000 0.000000 
1 1 1    8    1    0 o  325.705   7.7576  137.621   6.5449  136.604   9.2147  138.656   9.2977  324.233   10.972  326.657   10.988 -2.424194 15.52809 
1 1 1    8    1    1 o  275.178   7.6081   98.226   5.4230   98.707   7.6518   97.740   7.6869  275.641   10.717  274.279   10.820 1.361328 15.22871 
1 1 1    8    1    2 o  266.633   11.088   92.374   7.6583   96.590   10.897   88.260   10.765  271.791   15.542  259.678   16.084 12.11356 22.36629 
1 1 1    8    1    3 o  407.176   11.357  215.420   11.978  228.400   17.237  203.300   16.656  418.617   15.897  394.885   16.284 23.73242 22.75670 
1 1 1    8    1    4 o  311.224   7.6070  125.618   6.1325  125.867   7.0055  124.800   12.685  311.470   8.6831  309.110   15.897 2.359497 18.11360 
1 1 1    8    1    5 o  490.892   8.2576  312.549   10.500  315.014   14.764  310.026   14.936  492.481   11.573  488.539   11.803 3.942871 16.53025 
1 1 1    8    1    6 o  334.888   7.7951  145.417   6.7620  138.768   9.3438  152.728   9.7981  326.954   11.033  343.006   11.028 -16.05185 15.59920 
1 1 1    8    1    7 o  299.016   8.7854  115.950   6.8046  120.900   11.847  113.513   8.3127  304.956   14.997  295.757   10.851 9.198822 18.51095 
1 1 1    8    1    8 o  519.109   8.5006  349.369   11.430  356.800   22.830  346.883   13.204  523.815   16.826  517.167   9.8569 6.647827 19.50043 
1 1 1    8    1    9 o  272.130   8.0588   95.989   5.6806   92.840   10.966   97.144   6.6411  266.845   15.938  273.724   9.3664 -6.878418 18.48688 
1 1 1    8    1   10 o  326.929   7.9211  138.523   6.7079  132.965   9.4075  144.273   9.5674  320.188   11.343  333.536   11.074 -13.34848 15.85214 
1 1 1    8    1   11 o   36.460   14.821   0.6550   2.1929  -0.1226   3.2341   1.3167   2.9835   40.645   17.358   44.133   17.509 -3.487682 24.65528 
1 1 1    8    1   12 o  369.979   11.543  177.507   11.062  186.600   16.010  169.200   15.302  379.103   16.303  360.992   16.364 18.11102 23.09956 
1 1 1    8    1   13 o  371.256   12.034  178.747   11.572  183.400   16.284  174.000   16.448  375.827   16.727  366.034   17.348 9.793152 24.09888 
1 1 1    8    1   14 o  568.060   9.1961  418.255   13.532  424.364   19.291  412.338   18.986  571.973   13.021  563.812   13.000 8.160950 18.39924 
1 1 1    8    1   15 o  790.729   10.348  810.605   21.195  799.206   29.732  822.382   30.221  784.758   14.627  796.052   14.656 -11.29401 20.70602 
1 1 1    8    1   16 o  731.266   9.9488  693.264   18.845  697.398   26.755  689.193   26.548  733.081   14.090  728.759   14.064 4.322388 19.90749 
1 1 1    8    1   17 o  801.457   10.361  832.877   21.510  833.407   30.468  832.351   30.372  801.248   14.680  800.745   14.643 0.5033569 20.73459 
1 1 1    8    1   18 o  593.870   9.3648  457.243   14.406  449.447   20.192  465.326   20.560  588.485   13.246  598.790   13.255 -10.30463 18.73924 
1 1 1    8    1   19 o  962.543   11.472  1201.96   28.602  1188.65   40.128  1215.70   40.779  956.404   16.198  967.209   16.277 -10.80426 22.96318 
1 1 1    8    1   20 o   67.093   22.053   5.6121   4.4340   8.6932   6.2289   2.4471   6.3132   82.228   26.064   63.106   25.325 19.12123 36.34157 
1 1 1    8    1   21 o  641.275   9.8154  533.413   16.304  532.412   23.088  534.409   23.028  640.186   13.923  641.394   13.861 -1.208069 19.64590 
1 1 1    8    1   22 o  433.775   13.351  244.459   15.001  231.400   21.390  257.100   21.044  421.271   19.602  444.242   18.288 -22.97083 26.80799 
1 1 1    8    1   23 o  422.054   11.020  231.263   12.048  235.256   14.827  223.500   20.671  425.431   13.454  413.883   19.281 11.54837 23.51124 
1 1 1    8    1   24 o  635.016   9.8600  523.430   16.219  538.687   23.287  509.057   22.602  643.482   13.971  625.539   13.949 17.94269 19.74209 
1 1 1    8    1   25 o  569.082   9.6825  420.503   14.273  433.674   20.541  408.208   19.847  577.186   13.739  559.995   13.682 17.19135 19.38977 
1 1 1    8    1   26 o  179.339   13.333   42.122   6.1495   38.532   8.6015   45.876   8.7953  170.290   19.874  186.296   18.470 -16.00534 27.13110 
1 1 1    8    1   27 o  204.897   12.200   54.880   6.4460   59.257   9.1514   50.570   9.0809  212.095   16.795  195.545   18.134 16.55029 24.71684 
1 1 1    8    1   28 o   76.251   23.657   7.7139   5.1596  -2.0122   7.1652   18.189   7.4358   56.297   24.904  114.631   25.680 -58.33393 35.77247 
1 1 1    8    1   29 f  156.425   14.608   32.320   5.8506   31.856   8.3195   32.775   8.2292  153.571   21.504  155.987   20.891 -2.415863 29.98102 
1 1 1    8    1   30 o  173.758   13.779   39.787   6.1509   36.010   8.7010   43.561   8.6964  163.349   21.054  180.558   18.873 -17.20889 28.27460 
1 1 1    8    1   31 o  161.772   14.940   34.681   6.1897   33.828   8.6519   35.575   8.8590  157.790   21.746  161.906   21.667 -4.115173 30.69757 
1 1 1    8    1   32 o  108.234   38.281   15.740   13.404   0.0000   0.0000   15.740   13.404  ?   ?   108.234   38.281 0.000000 38.28051 
1 1 1    8    1   33 o  128.370   18.668   22.401   6.0254   34.650   8.7519   11.363   8.3079  159.015   21.823   91.212   30.196 67.80349 37.25670 
1 1 1    8    1   34 o   61.234   24.020   3.3684   5.5555   8.0146   8.0283  -0.9007   7.6956   80.765   29.490   59.430   26.068 21.33516 39.35938 
1 1 1    8    1   35 o  162.407   15.930   35.453   6.6151   36.384   9.3412   34.517   9.3690  161.505   22.977  156.836   23.810 4.669632 33.08878 
1 1 1    8    1   36 o  169.934   15.361   38.809   6.6886   33.867   9.4739   43.721   9.4443  154.438   24.500  177.831   20.901 -23.39275 32.20456 
1 1 1    8    1   37 o  202.302   14.040   54.707   7.3116   64.073   10.493   45.867   10.194  216.366   18.913  180.972   22.212 35.39418 29.17292 
1 1 1    8    1   38 f  165.656   17.323   37.519   7.3235   32.053   10.417   42.859   10.298  146.721   28.437  173.538   23.514 -26.81665 36.89918 
1 1 1    8    1   39 o  176.367   16.601   42.489   7.4946   42.981   10.597   41.996   10.601  172.469   24.401  170.192   24.774 2.277710 34.77312 
1 1 1    8    1   40 o   82.314   27.182   10.004   6.7335   12.603   9.5922   7.4798   9.4545   91.126   32.366   78.698   31.186 12.42835 44.94617 
1 1 1    8    1   41 o   75.612   33.614   2.1180   13.210   0.0000   0.0000   2.1180   13.210  ?   ?    75.612   33.614 0.000000 33.61373 
1 1 1    8    1   42 o   91.702   28.239   13.385   7.3676   7.0405   10.432   19.698   10.407   77.390   31.987  107.115   33.658 -29.72446 46.43306 
1 1 1    8    1   43 o   95.997   28.969   15.123   7.8058   20.865   11.051   9.4073   11.027  107.888   34.773   81.637   33.216 26.25139 48.08798 
1 1 1    8    1   44 o  174.511   19.056   43.914   8.4739   39.862   12.267   47.613   11.719  153.040   31.976  173.605   26.934 -20.56509 41.80762 
1 1 1    8    1   45 o   97.541   29.195   16.323   7.9522   8.3650   11.165   24.515   11.329   77.546   32.645  113.523   35.027 -35.97774 47.88092 
1 1 1    8    1   46 o   67.197   27.454   5.9497   7.5718   5.0634   10.586   6.8781   10.835   69.910   30.621   73.128   31.511 -3.217545 43.93872 
1 1 1    8    2    0 o  400.790   7.9966  208.402   8.3018  207.536   11.728  209.271   11.753  399.611   11.330  401.281   11.308 -1.669739 16.00696 
1 1 1    8    2    1 o  287.815   11.391  107.656   8.4922  111.900   12.073  103.500   11.948  292.519   15.993  281.208   16.475 11.31143 22.96091 
1 1 1    8    2    2 o  649.723   13.035  549.121   21.938  570.100   31.684  529.800   30.405  660.560   18.517  636.810   18.433 23.74994 26.12761 
1 1 1    8    2    3 o  242.603   11.508   76.476   7.2316   80.700   10.288   72.350   10.167  248.320   16.080  234.947   16.818 13.37312 23.26825 
1 1 1    8    2    4 o  405.984   11.564  214.115   12.161  229.000   17.595  200.500   16.828  419.252   16.202  392.245   16.562 27.00726 23.16937 
1 1 1    8    2    5 o  400.386   8.0058  207.895   8.3030  210.822   9.5332  198.700   16.898  403.116   9.1298  390.580   16.702 12.53564 19.03432 
1 1 1    8    2    6 o  233.272   8.6148   70.573   5.2054   81.910   9.2073   65.247   6.3108  250.616   14.242  224.207   10.866 26.40883 17.91405 
1 1 1    8    2    7 o  621.243   9.0002  500.505   14.483  521.900   29.316  493.598   16.658  633.170   17.875  616.804   10.426 16.36566 20.69323 
1 1 1    8    2    8 o  645.669   9.1744  540.564   15.344  560.800   31.080  534.042   17.644  656.506   18.276  641.635   10.616 14.87097 21.13593 
1 1 1    8    2    9 o   51.665   15.811   3.4688   2.3137   7.6930   5.0566   2.3503   2.6021   76.695   23.355   46.657   16.826 30.03771 28.78475 
1 1 1    8    2   10 o  451.024   8.4521  263.663   9.8745  262.000   19.477  264.239   11.456  449.099   16.742  451.457   9.7964 -2.357361 19.39792 
1 1 1    8    2   11 o  352.384   9.3652  160.963   8.5484  159.449   10.586  163.800   14.493  350.640   11.655  355.196   15.752 -4.555908 19.59520 
1 1 1    8    2   12 o  455.140   9.7639  268.531   11.511  274.100   20.210  265.857   14.005  459.422   16.983  452.768   11.941 6.653870 20.76067 
1 1 1    8    2   13 o  718.141   13.867  669.113   25.796  681.800   36.833  656.900   36.138  724.281   19.633  710.934   19.624 13.34766 27.75873 
1 1 1    8    2   14 o  670.614   9.6661  582.955   16.791  573.741   23.641  592.334   23.852  665.006   13.724  675.703   13.628 -10.69745 19.34096 
1 1 1    8    2   15 o  1196.90   13.096  1858.39   40.601  1846.77   57.152  1870.23   57.688  1192.19   18.507  1199.73   18.563 -7.538940 26.21262 
1 1 1    8    2   16 o  623.822   9.4677  504.467   15.299  499.749   21.682  509.145   21.589  620.610   13.488  626.432   13.305 -5.822205 18.94569 
1 1 1    8    2   17 f  367.275   12.630  175.006   12.016   0.0000   0.0000  175.006   12.016  ?   ?   367.275   12.630 0.000000 12.63004 
1 1 1    8    2   18 o  497.943   9.1606  321.448   11.816  321.328   16.739  321.567   16.680  497.601   12.987  497.790   12.936 -0.1893616 18.33051 
1 1 1    8    2   19 o  900.985   11.107  1053.05   25.922  1061.99   36.917  1044.35   36.406  904.071   15.764  896.549   15.677 7.522644 22.23217 
1 1 1    8    2   20 o  129.842   15.892   22.238   5.2334   21.405   7.6294   22.978   7.1924  125.948   24.266  131.003   21.973 -5.055504 32.73610 
1 1 1    8    2   21 o  352.698   9.6317  161.349   8.7994  157.324   12.508  165.292   12.382  347.996   13.876  356.737   13.399 -8.740692 19.28929 
1 1 1    8    2   22 o  190.091   18.018   47.485   8.7661   58.660   14.166   40.550   11.159  209.881   26.658  174.167   25.490 35.71373 36.88379 
1 1 1    8    2   23 o  344.616   13.717  154.397   12.244  154.300   17.032  154.500   17.615  343.355   19.228  343.455   19.885 -0.9939575E-01 27.66053 
1 1 1    8    2   24 f  455.809   9.5094  269.652   11.228  265.793   15.970  273.422   15.788  452.033   13.639  458.524   13.292 -6.490967 19.04525 
1 1 1    8    2   25 o  359.269   9.7464  167.606   9.0701  164.016   12.820  171.206   12.835  354.916   13.944  362.650   13.663 -7.734131 19.52230 
1 1 1    8    2   26 o  186.625   12.843   45.565   6.1706   57.087   8.9501   35.127   8.5189  208.335   16.726  162.279   20.741 46.05583 26.64462 
1 1 1    8    2   27 o  292.343   10.315  111.157   7.8112  111.101   11.227  111.208   10.875  291.229   14.933  291.833   14.386 -0.6033020 20.73509 
1 1 1    8    2   28 o  270.922   10.665   95.568   7.4843   90.548   10.724  100.336   10.450  262.409   15.852  276.575   14.639 -14.16562 21.57691 
1 1 1    8    2   29 o  332.561   10.139  144.036   8.7339  135.788   12.379  152.212   12.325  321.883   14.847  341.029   13.952 -19.14590 20.37345 
1 1 1    8    2   30 o  133.476   16.332   23.778   5.5287   16.272   7.8255   31.259   7.8122  107.590   27.859  152.221   20.320 -44.63132 34.48270 
1 1 1    8    2   31 o  157.904   17.113   33.296   6.8874   39.484   8.8814   23.960   10.909  171.079   20.447  129.017   32.623 42.06181 38.50097 
1 1 1    8    2   32 o  246.140   25.027   82.960   15.735   0.0000   0.0000   82.960   15.735  ?   ?   246.140   25.027 0.000000 25.02707 
1 1 1    8    2   33 o  170.699   14.985   38.760   6.5589   37.262   9.3533   40.208   9.2000  164.673   22.518  171.723   21.128 -7.049942 30.87818 
1 1 1    8    2   34 o  250.040   11.858   82.126   7.6802   74.869   11.012   89.001   10.717  235.895   18.161  258.313   16.097 -22.41776 24.26796 
1 1 1    8    2   35 o  228.370   12.894   69.045   7.5964   71.131   10.983   67.133   10.518  229.127   18.668  222.697   18.397 6.430176 26.21005 
1 1 1    8    2   36 o   72.843   25.166   7.0053   5.7732   3.6501   8.2813   10.178   8.0525   69.775   28.632   85.885   29.719 -16.10963 41.26770 
1 1 1    8    2   37 o  104.921   23.559   15.890   6.2460   28.704   8.9341   3.6403   8.7356  140.959   25.403   70.634   29.239 70.32475 38.73290 
1 1 1    8    2   38 o  205.860   14.568   56.941   7.7183   61.603   11.193   52.716   10.657  210.334   20.817  193.949   21.579 16.38509 29.98385 
1 1 1    8    2   39 o  268.225   12.529   95.692   8.7052   93.828   12.218   97.613   12.406  261.332   18.162  266.647   18.069 -5.315399 25.61885 
1 1 1    8    2   40 o  148.089   21.340   31.346   7.9494   33.686   10.132   27.600   12.821  149.518   27.162  127.456   36.788 22.06187 45.72866 
1 1 1    8    2   41 o   89.887   37.385   10.820   14.377   0.0000   0.0000   10.820   14.377  ?   ?    89.887   37.385 0.000000 37.38457 
1 1 1    8    2   42 o   82.969   28.244   10.660   7.2643   14.340   10.277   6.9861   10.269   93.116   33.457   76.958   31.767 16.15821 46.13517 
1 1 1    8    2   43 o  145.730   21.359   31.248   7.8232   41.529   11.277   21.709   10.862  162.026   27.874  110.321   34.341 51.70468 44.22978 
1 1 1    8    2   44 o   98.108   28.551   16.016   7.6938   25.065   10.994   7.3305   10.771  117.665   34.096   76.421   32.112 41.24442 46.83707 
1 1 1    8    2   45 o  155.926   21.189   36.380   8.3364   51.242   12.310   23.789   11.330  177.640   27.652  111.435   35.134 66.20461 44.71038 
1 1 1    8    2   46 o   56.061   25.359  -0.1893   7.8863   0.8756   11.377  -1.1742   10.942   65.271   29.885   61.966   28.706 3.305389 41.43836 
1 1 1    8    3    0 o  548.847   10.069  391.167   14.315  402.500   25.558  385.987   17.279  555.205   17.771  544.860   12.243 10.34479 21.58043 
1 1 1    8    3    1 o  659.205   10.706  564.445   18.280  553.300   31.591  570.056   22.414  650.721   18.742  662.003   13.071 -11.28186 22.84980 
1 1 1    8    3    2 o  318.590   11.665  131.897   9.6264  131.200   13.586  132.600   13.641  316.778   16.615  318.471   16.594 -1.693207 23.48250 
1 1 1    8    3    3 o  406.519   11.804  214.720   12.430  229.800   17.907  200.700   17.266  419.919   16.463  392.353   16.989 27.56610 23.65730 
1 1 1    8    3    4 o  537.612   12.409  375.561   17.280  397.500   25.102  355.800   23.823  552.190   17.550  522.413   17.605 29.77698 24.85801 
1 1 1    8    3    5 o  211.333   9.4403   57.943   5.1678   56.343   6.1135   61.950   9.6726  208.003   11.390  217.399   17.320 -9.395706 20.72973 
1 1 1    8    3    6 o  372.408   8.0710  179.825   7.7857  178.387   11.046  181.245   10.975  370.700   11.504  373.670   11.339 -2.970184 16.15283 
1 1 1    8    3    7 o  306.247   8.9124  121.615   7.0700  141.700   12.702  112.599   8.5101  330.217   14.850  294.576   11.153 35.64172 18.57145 
1 1 1    8    3    8 o  431.740   8.2692  241.632   9.2477  256.100   18.582  236.869   10.662  443.913   16.160  427.395   9.6306 16.51892 18.81202 
1 1 1    8    3    9 o  111.973   11.046   16.419   3.1621   22.840   6.4822   14.414   3.6223  131.067   19.703  104.492   13.714 26.57500 24.00563 
1 1 1    8    3   10 o  224.536   11.689   65.566   6.7748   63.820   10.089   67.000   9.1428  220.912   17.782  226.620   15.671 -5.707504 23.70190 
1 1 1    8    3   11 o  318.475   9.4486  131.476   7.7946  121.500   13.568  136.391   9.5229  305.365   17.223  324.311   11.336 -18.94559 20.61917 
1 1 1    8    3   12 o  667.709   10.881  578.059   18.819  575.100   32.611  579.536   23.042  665.258   18.925  668.379   13.309 -3.121216 23.13609 
1 1 1    8    3   13 o  137.602   15.553   24.889   5.4462   24.620   7.5578   25.180   7.8548  135.821   22.253  137.289   22.894 -1.467346 31.92707 
1 1 1    8    3   14 o  356.723   9.1689  164.938   8.4722  160.621   12.284  168.853   11.700  351.866   13.478  360.812   12.519 -8.945709 18.39484 
1 1 1    8    3   15 o  763.821   10.243  756.381   20.265  753.646   28.759  759.078   28.560  762.047   14.569  764.805   14.416 -2.757690 20.49646 
1 1 1    8    3   16 o  201.136   10.419   52.595   5.4099   46.176   7.9204   58.209   7.4069  187.846   16.443  211.363   13.601 -23.51758 21.33942 
1 1 1    8    3   17 o  130.413   13.495   22.307   4.4927   19.187   6.7342   24.810   6.0311  119.436   22.594  137.092   17.373 -17.65614 28.50171 
1 1 1    8    3   18 f  299.925   9.4467  116.631   7.3391  114.033   10.514  119.100   10.249  296.390   13.695  302.934   13.061 -6.544037 18.92480 
1 1 1    8    3   19 o  472.404   9.2713  289.362   11.345  291.737   16.279  287.118   15.819  474.058   13.257  470.313   12.985 3.745483 18.55716 
1 1 1    8    3   20 o  259.714   10.546   87.501   7.0948   83.575   10.329   91.009   9.7625  253.072   15.836  264.304   14.313 -11.23164 21.34547 
1 1 1    8    3   21 o  340.857   11.280  150.787   9.9595  146.722   12.393  158.200   16.736  336.025   14.238  348.025   18.632 -12.00006 23.44960 
1 1 1    8    3   22 o  278.960   12.291  101.064   8.8810   90.450   16.495  105.397   10.539  261.708   24.622  284.378   14.353 -22.66907 28.50005 
1 1 1    8    3   23 o  192.855   17.332   48.854   8.5660   54.200   11.611   42.470   12.689  202.293   22.542  177.466   28.573 24.82736 36.39420 
1 1 1    8    3   24 o  454.553   9.5562  268.189   11.252  261.793   15.921  274.571   15.904  448.582   13.702  459.449   13.364 -10.86670 19.13938 
1 1 1    8    3   25 o  364.613   14.140  173.155   13.355  173.155   13.355   0.0000   0.0000  364.613   14.140  ?   ?  0.000000 14.13994 
1 1 1    8    3   26 o  412.631   9.7386  221.228   10.409  209.961   14.779  232.317   14.662  401.257   14.220  422.239   13.406 -20.98209 19.54251 
1 1 1    8    3   27 o  319.300   10.260  132.609   8.4858  139.008   12.371  126.923   11.662  326.193   14.641  311.727   14.443 14.46539 20.56577 
1 1 1    8    3   28 o   67.027   23.470   5.3517   5.0295   3.8915   7.1273   6.8000   7.0983   69.015   27.163   76.960   27.786 -7.944527 38.85723 
1 1 1    8    3   29 o  204.645   12.462   54.902   6.5747   51.861   9.6618   57.525   8.9725  197.248   19.152  208.501   16.755 -11.25291 25.44605 
1 1 1    8    3   30 o  229.372   11.940   68.921   7.0695   70.312   10.237   67.653   9.7747  230.269   17.289  225.993   16.818 4.276138 24.11954 
1 1 1    8    3   31 o   80.607   29.311   7.6578   7.9194   0.2257   13.147   11.890   9.9213   79.692   34.525   95.384   32.989 -15.69196 47.75137 
1 1 1    8    3   32 o  424.524   14.036  237.023   15.435  239.900   21.396  233.900   22.288  424.116   19.476  418.074   20.581 6.042297 28.33541 
1 1 1    8    3   33 o  383.307   10.355  192.120   10.281  203.380   14.887  181.850   14.216  392.516   14.641  371.088   14.789 21.42795 20.81109 
1 1 1    8    3   34 o  447.246   10.177  261.839   11.790  256.892   16.949  266.476   16.410  440.372   14.858  449.003   14.110 -8.630920 20.49025 
1 1 1    8    3   35 o  204.838   13.735   55.776   7.2454   53.315   10.478   58.031   10.030  197.002   20.850  206.610   18.952 -9.608414 28.17651 
1 1 1    8    3   36 o  136.418   18.353   25.547   6.3207   27.011   9.1652   24.219   8.7283  136.246   26.924  128.790   27.025 7.456375 38.14830 
1 1 1    8    3   37 o   98.480   24.200   14.101   6.1292   18.002   8.7056   10.268   8.6307  109.136   29.908   86.237   30.694 22.89869 42.85523 
1 1 1    8    3   38 o  303.671   16.435  124.812   12.880   0.0000   0.0000  124.812   12.880  ?   ?   303.671   16.435 0.000000 16.43514 
1 1 1    8    3   39 o  337.671   11.471  151.065   10.033  159.420   14.440  143.265   13.952  343.030   16.251  324.467   16.656 18.56354 23.27029 
1 1 1    8    3   40 o   78.616   28.772   8.5885   7.6485   12.192   9.6226   2.4060   12.604   89.849   32.364   75.678   33.274 14.17078 46.41693 
1 1 1    8    3   41 o  107.831   33.581   19.539   10.385   11.410   13.967   29.590   15.531   90.249   37.127  125.126   41.280 -34.87756 55.51934 
1 1 1    8    3   42 o  111.493   26.034   19.347   7.3822   15.035   10.879   23.027   10.050   94.546   34.358  116.829   32.183 -22.28333 47.07670 
1 1 1    8    3   43 o  159.213   18.861   36.330   7.6273   38.817   11.735   34.511   10.037  153.554   30.577  147.949   27.191 5.605423 40.91865 
1 1 1    8    3   44 o  139.158   23.026   29.398   8.0099   14.188   11.195   45.353   11.466   90.051   34.423  168.894   27.126 -78.84263 43.82621 
1 1 1    8    3   45 o  114.830   27.111   21.729   7.9346   21.083   11.141   22.395   11.303  104.581   34.980  107.602   35.203 -3.020706 49.62680 
1 1 1    8    3   46 o   48.582   22.946  -4.7839   7.5775 -10.5875   10.817   0.8087   10.618   52.286   25.391   63.619   29.030 -11.33295 38.56734 
1 1 1    8    4    0 f  289.257   8.0322  108.532   6.0182  114.000   13.151  107.084   6.7685  295.131   17.278  287.257   9.0964 7.873688 19.52614 
1 1 1    8    4    1 o  395.730   8.1065  203.137   8.3096  199.300   17.266  204.293   9.4796  390.944   17.050  396.765   9.2237 -5.820221 19.38543 
1 1 1    8    4    2 o  227.300   9.4955   67.051   5.5907   70.940   10.654   65.574   6.5675  232.533   17.824  224.400   11.335 8.132629 21.12325 
1 1 1    8    4    3 o  488.475   12.293  310.023   15.554  323.800   22.402  297.200   21.613  498.421   17.351  477.488   17.474 20.93265 24.62574 
1 1 1    8    4    4 o  167.799   10.282   36.679   4.4473   40.968   5.1990   24.980   8.5866  177.266   11.383  135.913   25.322 41.35289 27.76245 
1 1 1    8    4    5 o  347.807   7.9991  156.855   7.2066  165.660   10.401  148.725   9.9944  357.236   11.240  338.473   11.399 18.76355 16.00897 
1 1 1    8    4    6 o  525.635   8.6276  358.266   11.747  367.169   16.872  349.891   16.365  531.806   12.248  519.151   12.169 12.65533 17.26583 
1 1 1    8    4    7 o  365.636   8.2959  173.316   7.8572  164.190   11.058  182.622   11.166  355.691   12.002  375.157   11.490 -19.46628 16.61571 
1 1 1    8    4    8 o  237.645   8.4265   73.208   5.1871   58.550   10.076   78.494   6.0504  211.362   18.593  246.045   9.4934 -34.68346 20.87649 
1 1 1    8    4    9 o  690.752   13.322  619.178   23.836  591.000   33.056  649.700   34.404  674.179   18.929  706.888   18.789 -32.70880 26.67087 
1 1 1    8    4   10 o  341.953   9.4004  151.580   8.3265  138.900   14.438  157.899   10.192  326.553   17.129  348.939   11.276 -22.38522 20.50731 
1 1 1    8    4   11 o  361.846   8.5037  169.695   7.9704  178.400   16.047  166.844   9.1833  370.642   16.715  358.750   9.8822 11.89224 19.41741 
1 1 1    8    4   12 o  477.058   8.9080  294.973   11.008  300.100   22.039  293.269   12.706  480.664   17.701  475.618   10.314 5.046204 20.48675 
1 1 1    8    4   13 o   30.858   15.395 -13.2353   4.9871   0.0000   0.0000 -13.2353   4.9871  ?   ?    30.858   15.395 0.000000 15.39480 
1 1 1    8    4   14 o  585.575   9.4696  444.478   14.364  450.750   20.739  438.696   19.913  589.429   13.584  581.521   13.219 7.907715 18.95424 
1 1 1    8    4   15 o  652.352   9.6309  551.673   16.274  550.571   23.136  552.753   22.896  651.394   13.712  652.699   13.543 -1.304871 19.27215 
1 1 1    8    4   16 o  652.892   9.5715  552.617   16.187  547.278   22.842  558.004   22.943  649.412   13.579  655.752   13.507 -6.340210 19.15251 
1 1 1    8    4   17 o  519.494   9.1302  349.861   12.286  343.230   17.360  356.515   17.390  514.292   13.031  524.168   12.808 -9.875671 18.27181 
1 1 1    8    4   18 o  311.893   9.4065  126.128   7.5995  122.269   10.924  129.746   10.579  306.893   13.742  316.181   12.917 -9.287384 18.85962 
1 1 1    8    4   19 o  728.958   10.139  689.183   19.146  697.621   27.378  681.106   26.784  732.881   14.422  724.175   14.278 8.706421 20.29417 
1 1 1    8    4   20 o  617.489   9.8041  494.548   15.681  501.424   22.417  487.959   21.944  621.310   13.929  612.924   13.822 8.385315 19.62295 
1 1 1    8    4   21 o  770.403   14.902  771.568   29.738  803.700   43.551  743.500   40.704  784.726   21.426  754.927   20.815 29.79901 29.87171 
1 1 1    8    4   22 o   61.536   23.162   3.6367   5.0203   5.4578   7.5120   2.1669   6.7487   75.131   28.322   63.995   26.006 11.13618 38.45046 
1 1 1    8    4   23 o  225.566   16.031   66.589   9.3059   63.880   12.787   69.640   13.568  219.722   22.800  229.442   23.146 -9.720047 32.48965 
1 1 1    8    4   24 o  207.045   12.433   55.933   6.6369   56.799   9.5880   55.136   9.1963  207.818   17.989  204.814   17.502 3.003571 25.09818 
1 1 1    8    4   25 o  267.426   14.925   93.517   10.297   0.0000   0.0000   93.517   10.297  ?   ?   267.426   14.925 0.000000 14.92455 
1 1 1    8    4   26 o  181.413   13.247   43.113   6.1818   53.601   9.1330   34.245   8.3980  201.578   17.670  160.122   20.735 41.45627 27.24215 
1 1 1    8    4   27 o  474.979   9.6727  293.348   11.901  302.339   17.206  285.102   16.478  481.223   13.803  467.355   13.611 13.86758 19.38567 
1 1 1    8    4   28 o  343.649   14.593  154.564   12.990  154.564   12.990   0.0000   0.0000  343.649   14.593  ?   ?  0.000000 14.59267 
1 1 1    8    4   29 o   93.366   22.079   12.050   5.2558   8.7349   7.3508   15.518   7.5177   83.040   28.411  105.304   27.325 -22.26443 39.41837 
1 1 1    8    4   30 o   46.060   20.685  -2.2181   5.1386  -5.4152   7.5141   0.5905   7.0429   51.971   23.975   60.594   25.740 -8.622826 35.17564 
1 1 1    8    4   31 o  372.777   14.844  182.800   14.333  177.200   21.343  187.400   19.345  362.580   22.841  374.597   20.009 -12.01718 30.36611 
1 1 1    8    4   32 o  160.631   21.662   35.226   8.7835   38.600   11.572   30.640   13.492  165.633   27.967  143.742   36.243 21.89111 45.77916 
1 1 1    8    4   33 o  145.799   17.061   28.621   6.3215   32.374   9.2586   25.344   8.6521  152.441   24.260  133.881   25.885 18.55945 35.47699 
1 1 1    8    4   34 o  214.169   13.108   60.702   7.2370   53.312   10.493   67.406   9.9942  197.451   20.831  223.971   17.363 -26.52040 27.11795 
1 1 1    8    4   35 o  278.775   11.658  102.296   8.4184  104.298   12.142  100.443   11.683  278.575   16.906  273.559   16.565 5.016174 23.66875 
1 1 1    8    4   36 o  153.908   16.495   32.113   6.4736   41.952   9.2874   22.814   9.0284  173.870   21.050  123.983   28.682 49.88651 35.57787 
1 1 1    8    4   37 o  108.832   23.503   17.102   6.4318   15.017   9.2659   19.041   8.9350   99.782   31.806  111.991   30.137 -12.20906 43.81677 
1 1 1    8    4   38 o   49.454   22.144  -1.6578   5.8427   0.9560   9.0064  -3.5572   7.6775   65.738   28.527   53.796   24.601 11.94210 37.66960 
1 1 1    8    4   39 o   58.012   24.495   1.6309   6.3165  -2.9492   9.1112   5.8692   8.7647   59.425   27.029   74.310   29.833 -14.88412 40.25680 
1 1 1    8    4   40 o   76.944   31.308   6.5472   9.7966   3.3940   15.460   8.6630   12.664   82.015   36.416   85.356   35.258 -3.341499 50.68836 
1 1 1    8    4   41 o  141.587   31.087   32.361   11.089   38.700   15.462   25.650   15.911  145.432   39.860  115.986   41.633 29.44610 57.63792 
1 1 1    8    4   42 o   62.427   26.294   2.9774   7.2496 -10.3186   10.562   14.820   9.9684   54.010   25.944   93.978   33.035 -39.96762 42.00482 
1 1 1    8    4   43 o   51.386   23.744  -3.2737   7.4156   0.4512   10.861  -6.5267   10.150   66.356   29.911   56.067   26.504 10.28985 39.96444 
1 1 1    8    4   44 o   88.069   29.327   13.011   7.8322   18.187   11.425   8.4213   10.758   98.658   35.293   78.016   32.384 20.64231 47.89862 
1 1 1    8    4   45 o   65.481   27.294   4.8050   7.6875   5.8358   11.170   3.8773   10.596   72.825   31.686   68.950   30.405 3.875008 43.91389 
1 1 1    8    4   46 o   47.456   22.469  -4.9788   7.3468 -21.8373   10.631   10.432   10.165   44.089   22.068   78.435   31.900 -34.34599 38.78898 
1 1 1    8    5    0 o   84.974   12.710   9.5900   2.7117   8.6300   7.9309   9.7171   2.8856   85.030   29.489   85.420   13.489 -0.3895493 32.42824 
1 1 1    8    5    1 o  486.926   8.4896  307.543   10.708  296.400   21.895  311.047   12.276  476.806   17.728  489.579   9.6802 -12.77356 20.19844 
1 1 1    8    5    2 f  132.620   9.6103   22.941   3.2790   15.580   8.5918   24.196   3.5475  107.149   29.848  136.167   10.130 -29.01777 31.51996 
1 1 1    8    5    3 o  655.172   9.3104  556.870   15.801  568.187   22.606  546.060   22.094  661.242   13.198  648.245   13.158 12.99689 18.63647 
1 1 1    8    5    4 o  303.289   8.1304  119.274   6.3873  123.497   9.1481  115.257   8.9222  308.432   11.450  297.958   11.560 10.47385 16.27111 
1 1 1    8    5    5 o  264.235   8.3330   90.529   5.7035   86.123   8.1111   94.838   8.0215  257.562   12.158  270.316   11.456 -12.75354 16.70473 
1 1 1    8    5    6 o  164.467   9.4595   35.194   4.0129   37.089   5.9552   33.618   5.4313  168.435   13.770  160.371   13.191 8.063461 19.06880 
1 1 1    8    5    7 o  470.521   11.746  287.244   14.316  287.500   20.493  287.000   20.008  470.291   16.822  469.921   16.437 0.3704529 23.51976 
1 1 1    8    5    8 o  479.652   11.900  298.459   14.785  308.500   21.532  289.500   20.338  487.233   17.060  472.030   16.634 15.20322 23.82719 
1 1 1    8    5    9 f  110.189   12.468   15.952   3.4961   5.2680   7.0797   19.398   4.0206   73.547   27.540  121.587   12.966 -48.04044 30.43947 
1 1 1    8    5   10 o  169.451   11.111   37.393   4.8498   24.850   9.0603   42.431   5.7417  135.716   26.724  180.442   12.359 -44.72578 29.44329 
1 1 1    8    5   11 o  221.012   9.4423   63.317   5.4056   61.400   11.075   63.916   6.1935  216.412   19.981  222.027   10.769 -5.615448 22.69874 
1 1 1    8    5   12 o  838.253   10.655  911.026   23.136  885.900   45.185  919.954   26.934  825.331   21.136  842.198   12.346 -16.86658 24.47757 
1 1 1    8    5   13 o  623.096   14.282  503.801   23.052   0.0000   0.0000  503.801   23.052  ?   ?   623.096   14.282 0.000000 14.28216 
1 1 1    8    5   14 o  203.020   11.723   53.631   6.1389   52.660   13.332   53.892   6.9157  199.254   26.488  203.390   13.198 -4.135849 29.59372 
1 1 1    8    5   15 o  147.587   12.611   28.462   4.7747   24.471   6.8906   32.149   6.6222  135.705   20.220  156.460   16.593 -20.75586 26.15690 
1 1 1    8    5   16 o  354.547   9.1026  162.954   8.3597  159.802   12.144  165.793   11.525  350.917   13.360  357.480   12.447 -6.563538 18.25914 
1 1 1    8    5   17 o  518.627   9.2039  348.713   12.364  347.827   17.700  349.557   17.279  517.692   13.199  519.005   12.853 -1.313416 18.42353 
1 1 1    8    5   18 o  288.340   9.7355  107.811   7.2713  112.777   10.614  103.419   9.9818  294.718   13.903  282.238   13.653 12.48038 19.48619 
1 1 1    8    5   19 o  908.653   11.230  1071.26   26.431  1077.41   37.794  1065.38   36.978  910.411   16.026  905.367   15.768 5.043823 22.48270 
1 1 1    8    5   20 o  734.949   11.899  701.136   22.652  682.994   27.502  739.400   39.941  724.964   14.645  753.097   20.475 -28.13367 25.17356 
1 1 1    8    5   21 o  329.367   11.570  140.831   9.8713  142.200   18.176  140.259   11.756  329.349   21.421  328.533   13.815 0.8161621 25.48964 
1 1 1    8    5   22 o   52.116   21.974   0.3573   5.0717   6.5141   7.7132  -4.3321   6.7315   78.563   28.872   50.724   23.134 27.83849 36.99665 
1 1 1    8    5   23 o  223.068   13.947   64.978   8.0183   63.619   10.011   67.410   13.393  220.159   17.704  225.616   23.249 -5.456772 29.22261 
1 1 1    8    5   24 o  424.561   9.6634  234.026   10.627  225.480   15.154  242.295   14.907  416.170   14.057  431.520   13.337 -15.34970 19.37728 
1 1 1    8    5   25 o  241.031   11.210   75.537   6.9991   82.107   10.152   69.585   9.6625  250.341   15.736  230.278   16.304 20.06229 22.65931 
1 1 1    8    5   26 o  378.095   13.792  186.464   13.507   0.0000   0.0000  186.464   13.507  ?   ?   378.095   13.792 0.000000 13.79184 
1 1 1    8    5   27 o  430.041   9.7637  240.533   10.876  244.626   15.653  236.712   15.123  432.732   13.965  425.739   13.713 6.992065 19.57209 
1 1 1    8    5   28 o   93.101   22.601   11.969   5.3955   9.7946   7.6951   14.071   7.5674   87.019   29.072  100.659   28.002 -13.63985 40.36432 
1 1 1    8    5   29 o  146.536   16.215   28.568   6.0518   32.962   8.6398   24.334   8.4795  155.931   22.002  132.503   25.632 23.42857 33.78013 
1 1 1    8    5   30 o   71.407   25.900   5.8701   6.1779   0.4023   7.7819   15.190   10.160   63.007   26.917  104.679   33.299 -41.67195 42.81765 
1 1 1    8    5   31 o   83.240   27.040   9.2794   6.6735   18.400   13.235   6.1702   7.7277  114.310   38.126   75.987   28.706 38.32207 47.72460 
1 1 1    8    5   32 o   97.697   27.668   13.537   7.3196   8.4030   9.0543   23.220   12.435   84.357   31.232  125.266   36.252 -40.90836 47.85025 
1 1 1    8    5   33 o  263.405   11.497   90.998   7.8441   93.848   11.401   88.435   10.809  265.194   16.682  257.583   16.284 7.611145 23.31211 
1 1 1    8    5   34 o  177.640   14.964   42.147   6.8212   43.435   9.9383   40.999   9.3793  177.288   22.123  172.498   21.455 4.789459 30.81742 
1 1 1    8    5   35 o  348.284   10.768  159.360   9.7145  166.159   13.948  152.955   13.538  353.133   15.249  338.697   15.431 14.43503 21.69398 
1 1 1    8    5   36 o   77.754   25.469   8.4158   5.9162   10.761   8.3458   6.0465   8.3879   87.547   30.257   75.238   29.514 12.30921 42.26783 
1 1 1    8    5   37 o   49.907   22.250  -1.4681   5.8316   3.1409   8.4334  -5.6914   8.0728   68.531   28.578   52.488   24.432 16.04281 37.59810 
1 1 1    8    5   38 o  200.092   14.337   53.852   7.3818   58.472   10.863   49.889   10.062  204.495   20.798  188.669   20.941 15.82495 29.51438 
1 1 1    8    5   39 o  160.761   17.517   35.693   7.1765   38.685   10.421   32.994   9.8975  162.024   25.687  148.732   26.670 13.29189 37.02864 
1 1 1    8    5   40 o  161.644   21.256   37.438   8.6842   57.440   16.001   29.087   10.339  188.020   34.111  135.758   30.184 52.26122 45.54755 
1 1 1    8    5   41 o  127.252   29.589   25.933   9.5686   26.400   13.972   25.520   13.131  119.363   39.143  118.597   37.870 0.7658386 54.46338 
1 1 1    8    5   42 o  108.535   26.667   18.624   7.4432   17.225   10.092   20.293   11.022   99.885   33.291  106.889   34.752 -7.004227 48.12442 
1 1 1    8    5   43 o   90.579   28.862   13.547   7.6302   6.2258   10.901   20.579   10.683   75.042   31.954  106.749   34.166 -31.70679 46.78010 
1 1 1    8    5   44 o  136.887   24.290   29.078   8.2971   46.717   12.111   13.476   11.390  168.999   28.691   87.893   34.417 81.10578 44.80749 
1 1 1    8    5   45 o   96.488   28.922   16.163   7.7999   23.704   11.312   9.3270   10.770  109.999   35.151   78.006   32.392 31.99254 47.80018 
1 1 1    8    5   46 o  119.867   27.673   24.627   8.4182   32.884   12.189   17.097   11.640  128.003   35.514   91.147   35.039 36.85561 49.88964 
1 1 1    8    6    0 o  379.834   11.196  187.309   11.016   0.0000   0.0000  187.309   11.016  ?   ?   379.834   11.196 0.000000 11.19634 
1 1 1    8    6    1 o  275.752   10.841   98.701   7.7433   0.0000   0.0000   98.701   7.7433  ?   ?   275.752   10.841 0.000000 10.84065 
1 1 1    8    6    2 o  454.343   11.703  268.018   13.774  290.400   20.072  248.100   18.935  472.370   16.404  436.569   16.744 35.80057 23.44087 
1 1 1    8    6    3 o  695.311   13.353  628.063   24.050  677.300   35.548  586.500   32.660  720.919   19.036  670.910   18.793 50.00964 26.74971 
1 1 1    8    6    4 o  120.011   14.352   18.979   4.3729   18.040   6.2485   19.880   6.1219  115.759   21.634  121.934   20.082 -6.175659 29.51795 
1 1 1    8    6    5 o  713.769   13.488  661.557   24.938  651.300   35.029  672.100   35.513  707.286   19.120  718.498   19.081 -11.21283 27.01223 
1 1 1    8    6    6 o  446.895   9.8092  258.986   11.355  264.656   14.298  249.300   18.686  451.605   12.222  437.960   16.472 13.64468 20.51105 
1 1 1    8    6    7 o  342.474   8.5479  152.037   7.5829  144.921   10.678  159.277   10.771  334.207   12.334  350.392   11.867 -16.18530 17.11599 
1 1 1    8    6    8 o  395.512   8.7926  202.770   9.0080  198.018   12.861  207.346   12.620  390.672   12.710  399.796   12.187 -9.123413 17.60806 
1 1 1    8    6    9 o  278.290   8.7177  100.381   6.2842  101.900   12.853   99.904   7.2040  279.479   17.848  277.593   10.019 1.885742 20.46741 
1 1 1    8    6   10 o  735.424   11.390  701.367   21.698  721.700   38.504  691.905   26.266  745.036   19.952  730.223   13.886 14.81354 24.30839 
1 1 1    8    6   11 o  579.516   10.532  435.420   15.810  433.200   27.666  436.497   19.266  577.403   18.498  580.085   12.822 -2.681763 22.50723 
1 1 1    8    6   12 o  390.025   13.545  197.359   13.685   0.0000   0.0000  197.359   13.685  ?   ?   390.025   13.545 0.000000 13.54532 
1 1 1    8    6   13 o  635.412   9.9777  523.416   16.422  495.800   31.911  533.364   19.153  617.538   19.949  641.319   11.530 -23.78137 23.04166 
1 1 1    8    6   14 f  411.074   9.4815  219.055   10.096  212.400   20.047  221.316   11.686  404.220   19.146  413.129   10.920 -8.909607 22.04158 
1 1 1    8    6   15 o  1437.12   15.015  2681.37   55.894  2631.00  109.490  2699.13   65.002  1418.53   29.798  1441.27   17.411 -22.73853 34.51184 
1 1 1    8    6   16 o  762.771   10.404  754.487   20.556  812.700   42.914  737.153   23.417  790.140   20.967  753.803   11.993 36.33691 24.15500 
1 1 1    8    6   17 o  719.953   10.030  672.165   18.706  679.287   26.768  665.368   26.151  723.289   14.287  715.864   14.103 7.425232 20.07521 
1 1 1    8    6   18 f  532.973   9.4241  368.346   13.011  360.272   18.602  376.079   18.204  526.752   13.633  538.239   13.057 -11.48755 18.87719 
1 1 1    8    6   19 o  383.804   9.5865  191.045   9.5306  189.135   13.836  192.770   13.147  381.583   13.998  385.297   13.173 -3.713562 19.22166 
1 1 1    8    6   20 o  735.546   14.709  703.228   28.025  737.300   41.674  675.100   37.865  751.653   21.404  719.518   20.316 32.13501 29.51086 
1 1 1    8    6   21 o  560.857   9.6981  408.111   14.089  427.324   20.560  391.101   19.345  573.392   13.843  548.583   13.614 24.80902 19.41574 
1 1 1    8    6   22 o  165.176   15.822   35.841   6.6869   42.180   11.826   32.861   8.1075  177.294   26.568  157.331   20.372 19.96338 33.48006 
1 1 1    8    6   23 o  465.334   11.381  281.316   13.719  286.469   17.130  272.100   22.908  469.189   14.095  456.309   19.381 12.88000 23.96449 
1 1 1    8    6   24 o  248.823   11.096   80.463   7.1515   80.634   10.499   80.315   9.7678  248.048   16.434  247.750   15.296 0.2983551 22.45041 
1 1 1    8    6   25 o  417.464   13.361  227.053   14.448   0.0000   0.0000  227.053   14.448  ?   ?   417.464   13.361 0.000000 13.36126 
1 1 1    8    6   26 o  204.199   12.959   54.580   6.8188   58.967   9.8516   50.545   9.4475  211.240   18.182  195.290   18.913 15.94952 26.23501 
1 1 1    8    6   27 o  479.915   9.8161  299.647   12.203  292.825   17.311  306.386   17.204  473.282   14.120  484.243   13.716 -10.96188 19.68501 
1 1 1    8    6   28 o  457.763   9.7935  272.811   11.613  283.074   16.960  263.753   15.934  465.007   14.080  448.984   13.700 16.02295 19.64576 
1 1 1    8    6   29 o   97.493   22.469   13.172   5.5577   5.7982   8.1546   19.568   7.5949   76.521   29.349  118.483   25.502 -41.96243 38.88038 
1 1 1    8    6   30 o   78.559   29.200   6.8844   7.9304   8.9530   13.657   5.8320   9.7409   95.424   37.587   80.479   31.730 14.94498 49.18915 
1 1 1    8    6   31 o  232.033   12.349   70.739   7.3954   82.145   10.873   60.921   10.088  248.561   16.990  213.384   18.432 35.17661 25.06820 
1 1 1    8    6   32 o   96.688   28.502   13.261   7.6238   12.500   9.7652   14.450   12.200   95.914   32.746  103.301   36.522 -7.386559 49.05280 
1 1 1    8    6   33 o   96.060   23.712   13.092   5.8644   9.2697   8.4746   16.605   8.1235   84.961   30.396  106.986   28.714 -22.02409 41.81387 
1 1 1    8    6   34 o  201.820   14.115   54.198   7.3327   65.910   10.680   43.755   10.085  220.428   18.888  177.618   22.420 42.80911 29.31564 
1 1 1    8    6   35 o   83.760   24.845   10.026   5.7780   8.3262   7.9020   11.979   8.4703   80.449   29.275   91.501   30.499 -11.05126 42.27549 
1 1 1    8    6   36 o   63.080   24.590   3.9947   5.7945   0.3875   8.1429   7.6953   8.2476   62.469   27.117   78.904   29.690 -16.43488 40.20939 
1 1 1    8    6   37 o   64.709   25.013   4.4814   5.9567   2.5044   8.7289   6.2044   8.1490   67.956   28.750   74.556   29.134 -6.599609 40.93110 
1 1 1    8    6   38 o   94.312   25.485   13.236   6.3735   15.043   9.1657   11.545   8.8687   98.730   31.651   88.835   31.163 9.895607 44.41779 
1 1 1    8    6   39 f  118.231   26.266   21.072   7.8352   26.867   9.7489   10.500   13.168  131.780   29.316   89.819   36.388 41.96097 46.72833 
1 1 1    8    6   40 o  177.086   17.390   43.574   7.8742   34.506   11.461   51.681   10.837  147.038   31.064  188.782   22.611 -41.74335 38.42182 
1 1 1    8    6   41 f   54.087   25.567  -7.0181   9.4421  -7.9960   12.566  -5.7500   14.310   61.942   29.344   68.109   31.970 -6.167149 43.39510 
1 1 1    8    6   42 o   77.576   28.087   9.0909   7.2608   9.9855   10.343   8.2217   10.195   82.163   32.600   78.402   31.924 3.761444 45.62778 
1 1 1    8    6   43 o  189.831   17.434   51.076   8.4767   37.744   11.575   66.498   12.449  150.126   30.798  210.055   23.270 -59.92921 38.60068 
1 1 1    8    6   44 o  203.760   17.027   58.989   8.9045   52.562   12.964   64.729   12.252  178.425   29.049  205.801   23.399 -27.37518 37.30131 
1 1 1    8    6   45 o   37.458   18.688 -15.9250   7.3532 -20.5192   10.507 -11.5143   10.295   44.765   22.335   50.383   24.536 -5.617764 33.17907 
1 1 1    8    6   46 o   70.059   33.858  -3.5780   18.647  -3.5780   18.647   0.0000   0.0000   70.059   33.858  ?   ?  0.000000 33.85757 
1 1 1    8    7    0 o  323.938   8.6191  136.075   7.2323  116.500   15.149  141.854   8.2308  298.318   19.715  330.695   9.6087 -32.37766 21.93227 
1 1 1    8    7    1 o  513.860   8.9541  342.433   11.918  348.224   17.013  336.852   16.702  517.848   12.683  509.324   12.659 8.523376 17.91989 
1 1 1    8    7    2 o  398.838   8.7014  206.264   8.9895  209.583   12.771  203.005   12.656  401.800   12.271  395.439   12.355 6.361725 17.41349 
1 1 1    8    7    3 o  186.447   10.131   45.224   4.8742   42.034   6.9444   48.320   6.8431  179.222   15.099  192.391   13.824 -13.16870 20.47152 
1 1 1    8    7    4 o  339.399   12.344  149.503   10.852   0.0000   0.0000  149.503   10.852  ?   ?   339.399   12.344 0.000000 12.34374 
1 1 1    8    7    5 o  693.182   9.7275  623.070   17.466  617.200   24.590  629.046   24.813  689.494   13.768  696.081   13.762 -6.586365 19.46670 
1 1 1    8    7    6 o  304.112   8.8500  119.891   6.9715  117.223   10.093  122.326   9.6411  300.549   12.964  307.060   12.121 -6.510254 17.74820 
1 1 1    8    7    7 o  416.436   8.8172  224.794   9.5110  219.129   13.477  230.416   13.424  410.969   12.660  421.441   12.297 -10.47205 17.64933 
1 1 1    8    7    8 o  382.025   8.8422  189.172   8.7499  205.103   12.793  175.167   11.994  397.629   12.420  367.458   12.601 30.17136 17.69347 
1 1 1    8    7    9 o  387.977   9.0831  195.114   9.1283  192.322   13.206  197.669   12.632  385.013   13.242  390.366   12.492 -5.353210 18.20453 
1 1 1    8    7   10 o  179.169   10.975   41.781   5.0690   40.140   10.928   42.231   5.7218  173.775   24.996  180.019   12.345 -6.243973 27.87845 
1 1 1    8    7   11 o  179.989   11.954   42.200   5.5417   25.270   11.785   47.006   6.2792  136.277   33.599  189.927   12.839 -53.64993 35.96887 
1 1 1    8    7   12 o  373.204   14.527  180.760   14.044   0.0000   0.0000  180.760   14.044  ?   ?   373.204   14.527 0.000000 14.52714 
1 1 1    8    7   13 o  690.659   10.154  618.439   18.166  612.600   36.289  620.392   20.985  686.314   20.413  691.631   11.713 -5.316772 23.53451 
1 1 1    8    7   14 o  174.418   13.176   39.697   5.9089   38.190   12.580   40.124   6.6931  168.470   29.924  175.177   14.892 -6.706406 33.42489 
1 1 1    8    7   15 o  483.987   9.5512  303.694   11.974  294.300   23.510  306.985   13.914  475.705   19.080  486.517   11.041 -10.81134 22.04383 
1 1 1    8    7   16 o  673.612   10.075  588.408   17.580  570.400   34.468  594.739   20.438  662.001   20.100  677.084   11.653 -15.08276 23.23404 
1 1 1    8    7   17 o  549.347   9.8121  391.352   13.962  406.400   28.514  386.606   16.013  558.729   19.702  545.890   11.325 12.83881 22.72480 
1 1 1    8    7   18 o  316.810   9.5818  130.165   7.8632  128.405   11.319  131.807   10.931  314.430   13.898  318.609   13.245 -4.179138 19.19852 
1 1 1    8    7   19 o  113.984   26.995   17.697   7.8474   24.280   13.696   14.480   9.5749  133.622   37.849  104.799   32.179 28.82207 49.67958 
1 1 1    8    7   20 o  365.377   9.7421  173.192   9.2203  178.604   13.578  168.561   12.561  370.698   14.140  360.185   13.463 10.51324 19.52410 
1 1 1    8    7   21 o  518.790   9.6408  349.218   12.956  361.019   18.949  338.861   17.753  526.966   13.882  510.601   13.422 16.36499 19.31020 
1 1 1    8    7   22 o  355.895   13.673  164.729   12.605  154.100   17.460  176.300   18.216  342.897   19.741  366.947   19.232 -24.05042 27.55991 
1 1 1    8    7   23 o  366.642   9.9902  174.550   9.4879  180.450   13.783  169.236   13.080  372.289   14.293  360.573   14.005 11.71597 20.01031 
1 1 1    8    7   24 o  162.983   14.368   34.881   6.0037   38.584   9.0152   31.930   8.0479  170.264   20.878  154.723   20.592 15.54163 29.32484 
1 1 1    8    7   25 o  523.903   9.8261  356.720   13.335  360.344   19.325  353.426   18.424  525.570   14.195  520.639   13.661 4.931030 19.70077 
1 1 1    8    7   26 o  511.823   9.8234  340.681   13.024  343.298   18.817  338.275   18.044  512.648   14.170  509.030   13.685 3.618042 19.69948 
1 1 1    8    7   27 o  340.708   10.309  151.144   9.0983  153.269   13.445  149.349   12.357  342.039   15.176  337.896   14.118 4.142242 20.72760 
1 1 1    8    7   28 o  233.165   12.091   71.189   7.2773   67.715   10.751   74.128   9.8866  225.717   18.552  236.926   16.207 -11.21008 24.63425 
1 1 1    8    7   29 o  162.999   17.898   35.510   7.4324   35.523   9.5282   35.490   11.878  161.279   23.498  158.799   29.976 2.479935 38.08819 
1 1 1    8    7   30 o  304.117   12.951  121.225   10.202  125.500   19.540  119.622   11.962  303.631   25.068  300.991   15.394 2.639099 29.41773 
1 1 1    8    7   31 o  151.550   16.532   30.737   6.3846   17.430   9.3884   42.185   8.7083  110.053   31.394  176.873   19.322 -66.82013 36.86334 
1 1 1    8    7   32 o  174.948   19.981   41.562   8.8925   46.130   11.862   35.700   13.436  181.712   25.937  155.359   34.305 26.35326 43.00681 
1 1 1    8    7   33 o   48.349   21.708  -2.1313   5.6555  -5.2163   8.6224   0.1980   7.4923   56.052   25.793   60.633   26.165 -4.581470 36.74105 
1 1 1    8    7   34 o   61.120   24.582   2.9528   5.9625   15.382   8.7794  -7.6879   8.1234  102.105   30.702   50.631   23.866 51.47485 38.88733 
1 1 1    8    7   35 o   94.159   24.491   12.848   6.0300   12.140   8.7908   13.478   8.2867   91.959   31.071   95.695   30.029 -3.735680 43.21020 
1 1 1    8    7   36 o   58.066   24.330   1.6697   6.1543   2.0002   9.0450   1.3848   8.3979   68.120   29.059   65.028   27.876 3.091782 40.26782 
1 1 1    8    7   37 o  220.144   13.707   64.881   7.7777   68.346   11.254   61.713   10.761  222.161   19.762  210.919   19.934 11.24269 28.06928 
1 1 1    8    7   38 o  213.539   14.330   61.445   7.8805   65.838   11.015   56.840   11.279  217.355   19.781  200.100   22.131 17.25438 29.68304 
1 1 1    8    7   39 o   92.154   33.086   13.060   10.050   15.720   16.336   11.440   12.747  100.658   40.617   90.611   36.115 10.04675 54.35134 
1 1 1    8    7   40 o  214.208   15.522   62.898   8.5544   57.198   12.496   67.925   11.736  195.766   25.229  217.745   21.070 -21.97926 32.87017 
1 1 1    8    7   41 o   91.453   31.636   13.728   9.1244   8.5696   11.293   23.430   15.487   81.056   33.369  109.873   40.813 -28.81696 52.71736 
1 1 1    8    7   42 o   69.418   27.841   5.9344   7.6249   0.7622   10.901   10.889   10.669   66.885   30.075   83.885   33.165 -17.00041 44.77052 
1 1 1    8    7   43 o  216.396   16.210   65.681   9.0204   74.846   12.856   56.794   12.660  223.435   22.520  189.781   26.473 33.65417 34.75619 
1 1 1    8    7   44 o   64.459   26.176   5.0065   6.8314   10.746   9.3476  -1.5726   10.008   80.711   31.296   60.268   27.754 20.44304 41.82980 
1 1 1    8    7   45 o   69.208   27.759   6.8876   7.5804   4.6018   10.768   9.1336   10.673   69.206   30.577   76.578   32.060 -7.371880 44.30363 
1 1 1    8    8    0 o  492.357   9.0301  314.329   11.517  322.066   16.479  306.943   16.101  498.091   12.773  486.256   12.783 11.83575 18.07067 
1 1 1    8    8    1 o  460.317   8.9113  274.736   10.625  285.376   15.326  264.888   14.744  468.886   12.618  451.742   12.600 17.14383 17.83243 
1 1 1    8    8    2 o  232.710   9.8053   70.229   5.9106   71.425   8.4145   69.064   8.3042  234.117   13.938  230.197   13.993 3.920029 19.75062 
1 1 1    8    8    3 o  400.580   10.281  208.107   10.668  206.000   19.066  209.067   12.872  397.946   18.496  401.381   12.380 -3.435242 22.25679 
1 1 1    8    8    4 o   75.387   24.348   7.1926   5.4164   0.0000   0.0000   7.1926   5.4164  ?   ?    75.387   24.348 0.000000 24.34848 
1 1 1    8    8    5 o  611.865   9.4381  485.373   14.959  491.248   21.333  479.691   20.981  615.237   13.386  607.963   13.323 7.274109 18.88616 
1 1 1    8    8    6 o  694.028   9.8164  624.497   17.647  619.050   24.946  629.955   24.968  690.625   13.945  696.692   13.836 -6.067688 19.64374 
1 1 1    8    8    7 o  414.532   8.9250  222.740   9.5833  227.584   13.748  218.160   13.366  418.839   12.672  410.079   12.583 8.759338 17.85787 
1 1 1    8    8    8 o   86.951   19.572   10.220   4.3020   12.153   6.4699   8.6874   5.7597   94.981   25.681   81.583   24.943 13.39834 35.80026 
1 1 1    8    8    9 o  267.108   10.073   92.498   6.9695   89.283   10.402   95.117   9.3885  261.799   15.407  270.759   13.386 -8.960358 20.41013 
1 1 1    8    8   10 o  580.878   9.7700  437.418   14.700  435.960   21.114  438.789   20.480  579.619   14.063  581.534   13.596 -1.914612 19.56034 
1 1 1    8    8   11 o  455.553   14.346  269.326   16.929   0.0000   0.0000  269.326   16.929  ?   ?   455.553   14.346 0.000000 14.34621 
1 1 1    8    8   12 o  135.203   16.731   24.102   5.7344   20.250   12.372   25.156   6.4717  123.220   36.303  137.893   18.592 -14.67316 40.78730 
1 1 1    8    8   13 o  543.617   9.6532  383.122   13.593  343.700   26.373  397.384   15.862  514.072   19.805  553.557   11.063 -39.48425 22.68536 
1 1 1    8    8   14 o  288.661   10.279  108.048   7.6856  108.800   15.574  107.806   8.8366  288.365   20.994  288.282   11.834 0.8273315E-01 24.09947 
1 1 1    8    8   15 o  1132.22   12.802  1663.58   37.546  1664.00   74.982  1663.44   43.375  1128.99   25.640  1131.79   14.795 -2.802246 29.60250 
1 1 1    8    8   16 o  552.871   9.7919  396.381   14.023  386.600   27.989  399.659   16.203  544.949   19.828  555.040   11.270 -10.09082 22.80745 
1 1 1    8    8   17 o  219.067   15.483   62.674   8.7291   87.040   15.763   51.898   10.483  257.109   23.944  198.520   20.690 58.58916 31.64528 
1 1 1    8    8   18 o  510.595   13.688  338.636   18.103  328.600   26.279  347.700   24.974  502.116   20.205  516.742   18.658 -14.62595 27.50200 
1 1 1    8    8   19 o  349.829   10.526  158.800   9.5379  158.900   20.451  158.773   10.782  348.000   22.814  349.706   11.903 -1.706665 25.73250 
1 1 1    8    8   20 o  357.330   13.646  165.954   12.630   0.0000   0.0000  165.954   12.630  ?   ?   357.330   13.646 0.000000 13.64575 
1 1 1    8    8   21 o  385.264   9.8414  192.632   9.8212  196.482   14.326  189.218   13.490  388.661   14.230  381.474   13.652 7.187073 19.71999 
1 1 1    8    8   22 o  120.281   24.597   19.683   7.4049   26.260   9.9588   11.550   11.074  138.574   28.689   98.750   34.808 39.82298 45.10757 
1 1 1    8    8   23 o  125.437   17.887   20.963   5.6471   23.601   8.1511   18.528   7.8309  131.810   24.783  116.216   26.589 15.59328 36.34843 
1 1 1    8    8   24 o   99.118   21.527   13.404   5.3687   18.333   7.9540   9.2793   7.2761  115.352   27.083   85.378   28.259 29.97385 39.14135 
1 1 1    8    8   25 o  388.297   9.8922  196.026   9.9496  193.943   14.325  197.967   13.830  385.414   14.349  389.529   13.707 -4.114594 19.84326 
1 1 1    8    8   26 o  175.901   14.165   40.701   6.3995   39.738   9.6620   41.453   8.5416  171.880   22.222  176.465   18.985 -4.585632 29.22761 
1 1 1    8    8   27 o  298.837   10.747  116.380   8.3191  126.168   12.585  108.785   11.087  309.674   15.741  287.725   14.927 21.94885 21.69333 
1 1 1    8    8   28 o  327.839   10.403  140.120   8.8344  140.099   13.110  140.137   11.957  326.511   15.500  326.957   14.119 -0.4458618 20.96658 
1 1 1    8    8   29 f   59.610   26.478  -2.2595   8.1797  -9.6440   15.430   0.6267   9.6467   74.254   34.289   69.900   29.919 4.354172 45.50694 
1 1 1    8    8   30 o  237.636   12.119   74.138   7.4349   75.301   10.996   73.159   10.091  237.591   18.001  234.641   16.712 2.950684 24.56271 
1 1 1    8    8   31 o   69.067   24.941   5.6395   5.7196   13.899   8.7584  -0.5018   7.5524   99.160   30.832   59.923   26.063 39.23675 40.37191 
1 1 1    8    8   32 o  197.276   16.326   52.038   8.2675   55.804   10.165   44.680   14.210  202.979   19.576  174.836   32.576 28.14304 38.00544 
1 1 1    8    8   33 o  101.749   23.800   14.770   6.1610   10.280   9.4201   18.127   8.1444   88.556   32.003  111.392   28.199 -22.83599 42.65465 
1 1 1    8    8   34 o  112.846   20.972   17.875   5.9045   11.894   9.2177   22.037   7.6891   91.941   31.797  123.904   24.823 -31.96269 40.33901 
1 1 1    8    8   35 o  312.993   11.335  129.163   9.1897  135.913   13.365  123.110   12.657  317.716   16.294  302.399   16.217 15.31708 22.98893 
1 1 1    8    8   36 o  170.633   16.423   39.576   7.1692   41.900   10.495   37.542   9.8166  171.026   24.380  161.901   24.146 9.124817 34.31392 
1 1 1    8    8   37 o   47.682   21.765  -2.9067   5.9751   0.7776   8.2460  -6.9795   8.6699   62.909   27.298   52.811   24.820 10.09746 36.89452 
1 1 1    8    8   38 o   95.034   29.246   13.898   7.9036   15.058   9.7708   11.700   13.443   97.941   32.759   92.542   37.020 5.398933 49.43271 
1 1 1    8    8   39 o  115.840   43.531   25.240   17.719   25.240   17.719   0.0000   0.0000  115.840   43.531  ?   ?  0.000000 43.53120 
1 1 1    8    8   40 o   90.623   29.002   13.042   7.6983   8.4288   11.071   17.360   10.712   81.218   33.191  101.030   34.297 -19.81133 47.72790 
1 1 1    8    8   41 o   55.589   25.201  -1.5972   7.8375 -12.9937   9.5450   21.990   13.732   48.328   23.554  107.589   38.671 -59.26143 45.27951 
1 1 1    8    8   42 o   58.424   25.841   0.6317   7.7113   11.898   11.009 -10.2213   10.805   85.642   33.743   54.129   26.062 31.51323 42.63587 
1 1 1    8    8   43 o   41.640   20.409 -11.5965   7.4635  -2.8461   11.302 -18.3642   9.9392   62.230   28.947   44.937   22.305 17.29232 36.54345 
1 1 1    8    8   44 o  131.094   25.001   27.415   8.1799   22.878   12.260   31.054   10.981  105.815   36.667  131.000   32.515 -25.18461 49.00692 
1 1 1    8    8   45 o   82.081   29.814   12.042   8.1907   17.043   11.984   7.6582   11.220   90.880   35.381   73.856   31.945 17.02449 47.66887 
1 1 1    8    9    0 o  214.098   10.691   59.452   5.9292   58.311   8.6524   60.462   8.1413  211.257   15.929  215.277   14.687 -4.020325 21.66674 
1 1 1    8    9    1 o  485.071   9.0998  305.049   11.434  310.499   16.352  299.836   15.994  489.134   12.906  480.666   12.846 8.467896 18.20898 
1 1 1    8    9    2 o  206.906   10.742   55.671   5.7376   49.894   8.2399   61.109   7.9941  195.274   16.443  216.479   14.337 -21.20573 21.81608 
1 1 1    8    9    3 o  728.314   10.068  687.805   18.993  724.767   27.741  655.187   26.059  747.179   14.333  710.429   14.161 36.75079 20.14865 
1 1 1    8    9    4 o  752.616   10.173  734.462   19.833  755.635   28.590  714.822   27.536  762.937   14.467  742.065   14.326 20.87250 20.35965 
1 1 1    8    9    5 o  405.624   9.0818  213.283   9.5422  197.789   13.272  229.864   13.729  390.424   13.123  420.923   12.592 -30.49921 18.18725 
1 1 1    8    9    6 o  1037.48   12.004  1396.17   32.260  1421.68   46.343  1372.19   44.934  1046.10   17.102  1027.77   16.878 18.32776 24.02859 
1 1 1    8    9    7 o  209.287   11.308   56.969   6.1073   49.193   8.8622   64.002   8.4282  193.760   17.858  221.562   14.770 -27.80208 23.17504 
1 1 1    8    9    8 o  201.212   11.818   52.691   6.1323   56.178   8.8957   49.533   8.4650  207.310   16.708  194.547   16.968 12.76236 23.81262 
1 1 1    8    9    9 o  140.048   19.099   25.962   6.7479   31.860   13.889   24.140   7.7202  152.860   35.721  134.306   23.020 18.55386 42.49603 
1 1 1    8    9   10 o  438.588   15.720  249.755   17.859  241.100   24.787  259.100   25.754  429.805   22.341  446.158   22.285 -16.35300 31.55506 
1 1 1    8    9   11 f  307.530   11.393  122.653   9.0756  128.681   13.546  117.743   12.225  314.314   16.698  300.720   15.749 13.59418 22.95320 
1 1 1    8    9   12 o  256.802   12.284   85.551   8.1713   70.060   16.356   90.703   9.4328  229.947   28.041  264.004   13.842 -34.05717 31.27147 
1 1 1    8    9   13 o  294.243   12.357  112.329   9.4184  101.000   15.741  118.646   11.755  277.620   22.071  302.279   15.013 -24.65900 26.69320 
1 1 1    8    9   14 o  727.122   10.310  685.643   19.418  672.600   38.523  690.085   22.484  718.765   20.691  729.317   11.901 -10.55194 23.86992 
1 1 1    8    9   15 f  407.673   9.7496  215.518   10.296  246.400   22.133  206.991   11.630  435.078   19.639  399.445   11.241 35.63318 22.62867 
1 1 1    8    9   16 o  172.621   14.753   38.992   6.5334   35.390   14.746   39.871   7.2877  160.728   36.280  174.374   16.325 -13.64644 39.78316 
1 1 1    8    9   17 o  516.949   13.908  347.138   18.623  332.500   27.011  360.400   25.711  505.035   20.648  526.079   18.868 -21.04373 27.97011 
1 1 1    8    9   18 o  189.776   15.050   47.112   7.3376   37.580   16.172   49.583   8.2339  165.105   38.520  194.530   16.496 -29.42581 41.90312 
1 1 1    8    9   19 o  195.742   14.390   50.079   7.2451   53.980   15.615   49.009   8.1788  200.131   31.133  193.349   16.488 6.782028 35.22989 
1 1 1    8    9   20 o  413.922   10.492  222.402   11.249  234.800   23.776  218.827   12.769  423.184   21.763  410.437   12.010 12.74664 24.85727 
1 1 1    8    9   21 o  439.791   13.832  251.613   15.757   0.0000   0.0000  251.613   15.757  ?   ?   439.791   13.832 0.000000 13.83193 
1 1 1    8    9   22 o  158.873   17.688   33.359   7.1555   39.416   9.3506   24.800   11.115  172.126   21.437  133.925   32.394 38.20070 38.84501 
1 1 1    8    9   23 o  441.549   9.7641  253.252   11.168  260.596   16.310  246.771   15.323  447.197   14.080  435.263   13.591 11.93353 19.56935 
1 1 1    8    9   24 o  226.894   12.053   67.215   7.0585   67.674   10.163   66.789   9.8103  226.680   17.443  225.292   16.935 1.388763 24.31153 
1 1 1    8    9   25 o  524.560   9.8900  357.889   13.438  353.491   19.319  362.013   18.705  520.117   14.339  526.548   13.714 -6.430847 19.84172 
1 1 1    8    9   26 o  397.238   10.012  205.409   10.302  193.721   14.815  216.350   14.335  384.604   14.871  406.814   13.603 -22.20987 20.15411 
1 1 1    8    9   27 o  214.216   12.556   60.177   6.9367   54.767   10.402   64.511   9.3091  202.344   20.112  220.883   16.387 -18.53874 25.94272 
1 1 1    8    9   28 o   51.697   22.976  -1.9205   6.1681  -1.1476   8.0064  -3.0490   9.6744   60.935   26.662   64.043   28.598 -3.107555 39.09841 
1 1 1    8    9   29 o  428.489   11.759  240.167   13.051  230.600   24.215  244.084   15.494  413.793   22.678  431.134   13.874 -17.34122 26.58530 
1 1 1    8    9   30 o  130.177   18.293   22.942   5.9980   32.070   8.8732   15.261   8.1392  152.579   23.180  103.453   29.134 49.12531 37.23028 
1 1 1    8    9   31 o   96.526   25.398   13.236   6.4361   23.000   10.555   7.4578   8.1202  125.095   32.338   79.734   29.565 45.36129 43.81655 
1 1 1    8    9   32 o   43.260   20.111  -4.4099   5.4434  -1.2018   7.6891  -7.6330   7.7072   58.765   25.907   49.204   23.210 9.561039 34.78325 
1 1 1    8    9   33 o  115.482   21.675   18.737   6.2456   18.535   9.6325   18.883   8.2038  111.263   31.820  113.458   28.069 -2.194679 42.43092 
1 1 1    8    9   34 o  151.359   17.408   31.222   6.7007   35.032   9.8066   27.886   9.1770  156.584   25.020  138.585   26.531 17.99886 36.46776 
1 1 1    8    9   35 o  265.263   17.160   95.426   11.727   0.0000   0.0000   95.426   11.727  ?   ?   265.263   17.160 0.000000 17.15965 
1 1 1    8    9   36 o   58.227   24.157   2.0844   5.9822  -6.2421   8.7358   9.4367   8.2089   54.083   25.255   82.834   29.884 -28.75104 39.12634 
1 1 1    8    9   37 o   77.767   26.808   8.5204   6.5492   3.7923   9.7146   12.460   8.8672   72.298   30.444   91.111   31.204 -18.81397 43.59480 
1 1 1    8    9   38 o  135.407   31.384   29.100   10.793   28.290   17.257   29.620   13.832  123.175   43.449  130.527   38.366 -7.352364 57.96371 
1 1 1    8    9   39 o  121.903   23.425   22.055   7.1281   24.310   10.330   20.006   9.8487  121.471   32.279  109.965   32.389 11.50603 45.72740 
1 1 1    8    9   40 o  180.717   19.585   46.671   9.0213   28.340   15.113   56.817   11.244  120.630   40.740  196.764   22.464 -76.13330 46.52273 
1 1 1    8    9   41 o   70.167   29.533   4.9795   9.1345   0.3150   11.268   13.920   15.600   67.137   30.346   91.847   38.623 -24.70991 49.11829 
1 1 1    8    9   42 o  156.744   21.746   36.672   8.5914   26.278   12.459   46.095   11.863  116.742   36.848  169.057   28.075 -52.31441 46.32405 
1 1 1    8    9   43 o   99.763   29.167   17.122   8.0129   19.550   11.674   14.960   11.018  100.121   35.691   90.258   34.234 9.863457 49.45493 
1 1 1    8    9   44 o   87.342   28.740   13.329   7.5302   10.102   10.241   17.128   11.111   78.474   31.979   93.241   34.582 -14.76680 47.10189 
1 1 1    8    9   45 o   63.182   27.056   4.3293   7.8957  -2.1389   11.199   10.721   11.133   60.315   28.302   78.127   32.729 -17.81280 43.26893 
1 1 1    8   10    0 o  729.099   10.191  689.298   19.247  719.017   28.007  662.703   26.494  744.196   14.529  714.484   14.316 29.71198 20.39664 
1 1 1    8   10    1 o  1071.11   12.274  1488.44   34.054  1549.56   49.873  1435.04   46.611  1091.90   17.633  1050.88   17.123 41.01794 24.57888 
1 1 1    8   10    2 o  767.458   10.365  763.744   20.605  775.130   29.466  752.846   28.826  772.689   14.722  761.514   14.614 11.17438 20.74336 
1 1 1    8   10    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   10    4 o  937.700   11.384  1140.38   27.650  1156.26   39.576  1125.24   38.647  943.535   16.193  930.820   16.029 12.71454 22.78418 
1 1 1    8   10    5 o  571.613   9.5361  423.583   14.120  421.407   20.013  425.740   19.923  569.865   13.558  572.797   13.428 -2.932251 19.08212 
1 1 1    8   10    6 o  938.714   11.476  1142.82   27.904  1152.38   39.773  1133.56   39.158  941.977   16.300  934.271   16.181 7.705444 22.96790 
1 1 1    8   10    7 o  557.546   11.301  403.136   16.321  381.200   28.365  413.992   19.954  541.383   20.227  564.834   13.639 -23.45142 24.39549 
1 1 1    8   10    8 o  462.101   15.162  277.216   18.149  274.200   25.325  280.400   26.023  459.055   21.298  464.181   21.643 -5.125732 30.36456 
1 1 1    8   10    9 o  732.934   12.621  696.896   23.961  693.253   28.903  704.900   42.843  730.736   15.270  735.813   22.478 -5.076660 27.17426 
1 1 1    8   10   10 o  565.356   10.203  414.424   14.942  416.207   21.529  412.768   20.755  566.235   14.678  563.931   14.209 2.303772 20.42871 
1 1 1    8   10   11 o  296.111   11.114  113.717   8.5247  110.593   12.602  116.353   11.575  291.281   16.773  299.358   14.927 -8.077942 22.45353 
1 1 1    8   10   12 o  376.487   11.811  183.878   11.518  178.300   20.190  186.568   14.024  369.468   21.185  379.089   14.281 -9.620880 25.54917 
1 1 1    8   10   13 o  407.820   9.8082  215.664   10.361  219.900   21.419  214.370   11.838  411.019   20.118  406.519   11.243 4.500580 23.04593 
1 1 1    8   10   14 o  512.549   9.7452  340.673   12.938  372.500   27.047  331.229   14.733  534.944   19.519  505.288   11.257 29.65573 22.53238 
1 1 1    8   10   15 o  304.652   12.934  120.493   10.207  121.600   18.314  119.994   12.292  304.348   23.411  303.449   15.692 0.8994751 28.18362 
1 1 1    8   10   16 o  849.661   15.504  938.460   34.122  959.800   49.747  919.500   46.892  857.552   22.395  839.591   21.561 17.96136 31.08768 
1 1 1    8   10   17 o  437.622   10.142  248.465   11.496  239.600   23.160  251.364   13.243  428.556   20.864  440.049   11.618 -11.49332 23.88026 
1 1 1    8   10   18 o  359.923   10.630  168.128   9.9100  193.800   21.007  160.779   11.239  384.680   21.164  351.844   12.332 32.83630 24.49448 
1 1 1    8   10   19 o  141.341   20.106   26.595   7.1535   7.1010   16.322   31.229   7.9586  101.492   40.724  153.296   20.561 -51.80396 45.62013 
1 1 1    8   10   20 o  316.935   11.481  130.483   9.4251  105.600   19.208  138.374   10.817  282.103   26.601  326.260   12.799 -44.15671 29.51966 
1 1 1    8   10   21 o  302.180   16.992  119.507   13.247   0.0000   0.0000  119.507   13.247  ?   ?   302.180   16.992 0.000000 16.99246 
1 1 1    8   10   22 o  162.331   17.386   34.816   7.1971   58.730   15.938   28.690   8.0664  208.105   30.469  146.246   21.973 61.85829 37.56525 
1 1 1    8   10   23 o  352.682   12.059  161.906   11.016  136.700   20.728  171.828   13.005  320.469   25.173  363.042   13.830 -42.57333 28.72161 
1 1 1    8   10   24 o  276.410   11.091   99.450   7.9411   97.224   11.539  101.453   10.945  272.001   16.454  278.155   15.250 -6.153473 22.43431 
1 1 1    8   10   25 f   99.140   22.631   13.541   5.6836   7.8202   8.2586   18.689   7.8339   82.522   29.943  115.969   26.639 -33.44659 40.07810 
1 1 1    8   10   26 o  339.234   10.360  149.932   9.1034  143.854   13.416  155.118   12.393  331.035   15.646  344.238   13.898 -13.20325 20.92774 
1 1 1    8   10   27 o  300.003   10.770  117.415   8.3696  132.662   12.670  105.612   11.148  317.689   15.397  283.102   15.259 34.58630 21.67706 
1 1 1    8   10   28 o  117.679   29.075   19.694   8.8114   24.580   15.343   17.290   10.763  129.635   40.887  110.494   34.150 19.14091 53.27235 
1 1 1    8   10   29 o  169.416   22.421   39.203   9.5974   39.203   9.5974   0.0000   0.0000  169.416   22.421  ?   ?  0.000000 22.42091 
1 1 1    8   10   30 o  192.688   13.818   49.124   6.8509   46.180   9.8093   51.928   9.5723  184.304   20.918  196.316   19.064 -12.01160 28.30197 
1 1 1    8   10   31 o   72.580   28.107   5.3401   7.5319   6.1020   9.8979   4.2920   11.609   80.216   31.871   80.806   33.599 -0.5905762 46.31039 
1 1 1    8   10   32 o  103.384   22.981   15.175   5.9948   13.490   8.4648   16.870   8.4913   96.636   30.354  107.104   29.614 -10.46790 42.40689 
1 1 1    8   10   33 o  201.462   13.837   54.083   7.1773   67.990   10.676   42.614   9.6952  223.567   18.604  175.035   21.860 48.53258 28.70516 
1 1 1    8   10   34 o  129.065   20.170   23.260   6.5226   27.444   9.3749   19.334   9.0810  136.590   27.449  112.923   30.380 23.66686 40.94420 
1 1 1    8   10   35 o  200.676   14.715   54.169   7.5954   55.040   11.026   53.383   10.478  197.989   21.865  195.527   21.018 2.462418 30.32844 
1 1 1    8   10   36 o  214.796   13.773   61.898   7.6230   73.930   11.391   52.140   10.258  231.173   19.197  192.789   20.876 38.38396 28.36056 
1 1 1    8   10   37 o   86.702   25.392   11.219   6.0682   6.2010   9.8825   14.257   7.6884   76.959   31.394   96.270   28.683 -19.31071 42.52393 
1 1 1    8   10   38 o   47.139   22.439  -7.5681   7.5247   0.7475   15.639 -10.0731   8.5835   78.859   35.688   48.449   23.303 30.41023 42.62190 
1 1 1    8   10   39 o  240.862   14.422   79.027   8.9564   78.697   13.024   79.323   12.336  233.187   21.816  235.641   20.413 -2.453201 29.87633 
1 1 1    8   10   40 o   59.796   27.631  -3.3155   10.044   1.9720   13.965  -8.9810   14.455   74.799   33.798   64.831   30.927 9.968590 45.81299 
1 1 1    8   10   41 o   49.248   22.958  -4.0377   7.1721  -3.5294   10.544  -4.4756   9.7846   60.214   27.993   57.061   26.673 3.153980 38.66544 
1 1 1    8   10   42 o   83.040   29.168   11.450   7.7705   11.382   10.894   11.519   11.086   83.294   33.324   83.649   33.564 -0.3550262 47.29719 
1 1 1    8   10   43 o   59.036   26.100   1.3994   7.8572   6.1120   11.518  -2.7021   10.746   73.385   32.047   60.314   28.112 13.07042 42.63003 
1 1 1    8   10   44 o   83.778   29.609   12.551   8.0181   16.361   11.563   9.0219   11.128   90.071   34.841   76.189   32.359 13.88239 47.55031 
1 1 1    8   10   45 o   75.709   34.693   8.2860   15.377   0.0000   0.0000   8.2860   15.377  ?   ?    75.709   34.693 0.000000 34.69321 
1 1 1    8   11    0 o  150.823   18.918   30.036   7.2282   32.843   8.7770   24.120   12.742  157.300   22.155  133.303   36.040 23.99731 42.30504 
1 1 1    8   11    1 o  454.484   14.102  268.099   16.602  257.900   22.997  279.200   23.991  445.275   19.938  463.292   19.991 -18.01758 28.23474 
1 1 1    8   11    2 o  515.658   14.060  345.121   18.780  371.800   27.499  321.800   25.710  534.651   19.856  497.393   19.955 37.25830 28.15102 
1 1 1    8   11    3 o  297.524   15.881  115.282   12.195  114.900   16.879  115.700   17.639  296.257   22.155  297.155   23.098 -0.8982849 32.00604 
1 1 1    8   11    4 o  825.201   15.661  884.247   33.475  885.100   47.431  883.400   47.252  824.513   22.208  823.733   22.145 0.7800293 31.36283 
1 1 1    8   11    5 o  440.533   14.773  251.929   16.858  243.900   23.460  260.500   24.239  432.955   20.919  447.446   20.914 -14.49161 29.58023 
1 1 1    8   11    6 o  553.081   14.883  397.112   21.322  395.600   30.278  398.600   30.030  551.365   21.200  553.483   20.946 -2.117798 29.80267 
1 1 1    8   11    7 o  752.190   12.730  734.046   24.803  720.906   29.890  763.100   44.446  745.120   15.487  765.551   22.413 -20.43091 27.24315 
1 1 1    8   11    8 o  616.745   10.492  493.228   16.761  485.060   23.893  501.141   23.519  611.230   15.091  621.326   14.613 -10.09662 21.00692 
1 1 1    8   11    9 o  507.487   10.264  333.948   13.493  328.046   19.244  339.655   18.924  502.668   14.780  511.526   14.282 -8.857941 20.55292 
1 1 1    8   11   10 o  229.426   13.197   68.534   7.8095   72.319   11.184   64.933   10.910  235.115   18.514  222.629   19.104 12.48550 26.60262 
1 1 1    8   11   11 o  535.851   10.119  372.347   14.045  382.406   20.725  363.804   19.099  542.661   14.744  529.373   13.929 13.28821 20.28276 
1 1 1    8   11   12 o  298.476   11.531  115.579   8.9151  114.400   13.314  116.537   12.003  296.118   17.435  299.101   15.547 -2.983551 23.35938 
1 1 1    8   11   13 o  196.493   13.397   50.359   6.7780   52.190   16.140   49.967   7.4685  196.773   32.822  195.564   14.854 1.208435 36.02703 
1 1 1    8   11   14 o  829.615   15.428  894.494   33.154  923.100   48.869  870.100   45.127  841.160   22.429  816.940   21.325 24.21948 30.94865 
1 1 1    8   11   15 o  220.380   14.675   63.391   8.3294   61.280   16.701   64.090   9.6098  213.786   31.068  221.321   16.890 -7.535065 35.36224 
1 1 1    8   11   16 o  563.904   10.162  412.562   14.844  417.000   30.761  411.215   16.948  565.315   21.006  562.831   11.625 2.484436 24.00851 
1 1 1    8   11   17 o  484.051   12.232  304.301   15.337  282.600   26.615  315.088   18.765  465.023   22.096  492.252   14.717 -27.22971 26.54829 
1 1 1    8   11   18 o  544.398   10.281  384.665   14.498  376.300   29.625  387.299   16.624  536.555   21.316  546.079   11.753 -9.524048 24.34102 
1 1 1    8   11   19 o  294.003   11.873  112.305   9.0423   99.530   18.902  116.096   10.297  273.717   27.013  298.804   13.304 -25.08701 30.11095 
1 1 1    8   11   20 o  362.287   12.158  170.626   11.409   0.0000   0.0000  170.626   11.409  ?   ?   362.287   12.158 0.000000 12.15795 
1 1 1    8   11   21 o  174.914   20.617   40.642   9.1619   35.770   17.767   42.407   10.693  159.287   42.335  178.011   23.786 -18.72414 48.55970 
1 1 1    8   11   22 o  179.416   16.319   42.398   7.5010   35.820   16.426   44.132   8.4315  159.124   39.919  182.742   18.048 -23.61887 43.80957 
1 1 1    8   11   23 o  238.180   13.697   74.254   8.4150   57.330   18.017   78.975   9.5169  202.858   35.585  245.400   15.044 -42.54225 38.63491 
1 1 1    8   11   24 o  129.849   20.818   22.795   6.7656   19.460   15.905   23.532   7.4757  121.300   41.779  131.475   22.776 -10.17567 47.58384 
1 1 1    8   11   25 o  120.329   18.499   19.513   5.5812   18.045   7.7986   21.054   7.9910  113.685   26.902  123.174   25.869 -9.489014 37.32170 
1 1 1    8   11   26 o  224.078   12.377   65.833   7.1559   54.130   10.689   75.339   9.6332  200.795   20.855  238.915   15.652 -38.12038 26.07564 
1 1 1    8   11   27 o  194.278   20.676   50.817   10.245   27.690   15.938   67.100   13.374  136.823   41.419  222.347   23.581 -85.52388 47.66097 
1 1 1    8   11   28 o  226.845   12.630   67.647   7.3917   77.025   11.050   60.054   9.9437  240.381   17.875  211.954   18.291 28.42670 25.57473 
1 1 1    8   11   29 o  270.695   11.556   95.967   8.1026   99.141   11.965   93.280   11.012  272.885   17.012  265.036   16.116 7.848083 23.43391 
1 1 1    8   11   30 o  242.925   12.036   77.477   7.5734   79.661   10.920   75.454   10.512  243.975   17.393  237.495   17.205 6.479095 24.46506 
1 1 1    8   11   31 o  159.796   19.641   34.886   7.9585   35.414   10.120   34.030   12.883  158.313   25.549  150.693   33.834 7.620270 42.39699 
1 1 1    8   11   32 o  334.194   10.961  146.776   9.4888  155.643   13.834  138.898   13.039  341.591   15.635  322.715   15.598 18.87625 22.08555 
1 1 1    8   11   33 o  125.498   19.991   21.951   6.2806   14.408   8.9431   29.292   8.8223   98.412   31.235  142.959   24.719 -44.54671 39.83236 
1 1 1    8   11   34 o  240.882   13.058   77.297   8.1171   89.137   12.067   67.512   10.970  255.341   18.367  221.441   19.318 33.89940 26.65587 
1 1 1    8   11   35 o   89.512   24.774   11.806   5.9392   6.5514   7.9642   18.389   8.9147   74.716   28.911  109.132   30.405 -34.41642 41.95576 
1 1 1    8   11   36 o  234.977   13.565   74.096   8.2215   72.168   11.959   75.823   11.321  226.859   20.575  233.996   18.837 -7.136902 27.89596 
1 1 1    8   11   37 o   95.322   33.490   14.317   10.244 -13.0100   16.372   31.900   13.133   68.069   32.592  137.307   36.353 -69.23799 48.82378 
1 1 1    8   11   38 f  154.753   19.297   33.956   7.5674   29.220   11.246   37.875   10.230  132.925   32.850  158.512   25.803 -25.58667 41.77218 
1 1 1    8   11   39 o   94.976   26.503   14.219   6.7679   14.202   11.270   14.228   8.4641   92.473   34.723   93.183   30.461 -0.7104111 46.19071 
1 1 1    8   11   40 o   77.852   30.092   8.9324   8.6210   5.8900   10.596   14.890   14.828   74.172   31.541   92.797   38.223 -18.62424 49.55685 
1 1 1    8   11   41 o  118.975   26.790   22.866   8.0576   26.013   11.534   19.866   11.261  117.984   35.126  102.704   35.165 15.28008 49.70300 
1 1 1    8   11   42 f  122.622   26.752   24.566   8.2583   14.320   11.632   34.981   11.727   88.463   34.738  139.574   32.963 -51.11049 47.88813 
1 1 1    8   11   43 o   42.375   20.545  -8.5149   7.0061   5.3475   10.826 -18.5039   9.1900   70.595   30.943   41.946   20.922 28.64906 37.35205 
1 1 1    8   11   44 o  133.715   25.651   29.629   8.5612   17.815   12.296   40.742   11.927   90.997   35.722  148.594   31.937 -57.59666 47.91735 
1 1 1    8   12    0 o  387.810   10.329  195.015   10.376  193.243   14.817  196.719   14.534  385.805   14.827  389.284   14.413 -3.479706 20.67813 
1 1 1    8   12    1 o  807.277   10.991  845.164   22.984  866.656   33.145  825.258   31.898  816.920   15.663  797.200   15.447 19.72040 21.99914 
1 1 1    8   12    2 o  940.034   16.720  1147.98   40.712  1147.98   40.712   0.0000   0.0000  940.034   16.720  ?   ?  0.000000 16.71992 
1 1 1    8   12    3 o  422.806   10.629  231.814   11.641  230.992   16.593  232.610   16.335  421.785   15.187  423.280   14.898 -1.495239 21.27486 
1 1 1    8   12    4 o  852.596   16.012  944.113   35.361   0.0000   0.0000  944.113   35.361  ?   ?   852.596   16.012 0.000000 16.01152 
1 1 1    8   12    5 o  361.525   11.540  169.525   10.807  151.469   15.377  187.150   15.192  340.965   17.469  379.634   15.449 -38.66910 23.32043 
1 1 1    8   12    6 o  305.812   18.177  121.995   14.334  121.995   14.334   0.0000   0.0000  305.812   18.177  ?   ?  0.000000 18.17683 
1 1 1    8   12    7 o  704.932   10.671  644.432   19.485  646.109   27.845  642.824   27.274  705.373   15.240  703.611   14.965 1.761963 21.35877 
1 1 1    8   12    8 o  312.305   11.563  126.521   9.3538  114.963   13.426  137.423   13.039  296.883   17.536  325.281   15.476 -28.39853 23.38812 
1 1 1    8   12    9 o  710.722   10.579  655.108   19.475  662.192   28.006  648.476   27.100  714.042   15.142  706.653   14.805 7.389709 21.17706 
1 1 1    8   12   10 o  650.330   10.337  548.505   17.413  556.360   25.119  541.239   24.159  654.499   14.817  645.588   14.447 8.911133 20.69399 
1 1 1    8   12   11 o  498.894   10.317  322.818   13.332  312.953   19.139  332.117   18.582  490.816   15.054  505.706   14.185 -14.89066 20.68461 
1 1 1    8   12   12 o  536.190   14.017  373.394   19.469  380.000   28.891  367.900   26.350  540.032   20.654  531.591   19.136 8.440613 28.15590 
1 1 1    8   12   13 o  638.392   12.031  528.986   19.894  537.612   25.296  515.000   32.209  643.161   15.184  628.730   19.777 14.43073 24.93384 
1 1 1    8   12   14 o  589.406   10.233  450.696   15.623  431.700   31.790  456.745   17.939  575.226   21.335  593.197   11.675 -17.97089 24.32052 
1 1 1    8   12   15 o  525.631   10.217  358.485   13.911  347.700   28.554  361.841   15.930  516.090   21.359  527.943   11.649 -11.85272 24.32922 
1 1 1    8   12   16 o  524.531   10.382  357.064   14.107  313.100   28.822  370.913   16.176  489.294   22.741  534.461   11.685 -45.16681 25.56729 
1 1 1    8   12   17 o  521.000   10.329  352.330   13.940  330.000   28.955  359.067   15.905  502.216   22.257  525.797   11.678 -23.58099 25.13483 
1 1 1    8   12   18 o  139.829   19.990   26.055   7.0341   24.940   17.047   26.284   7.7222  136.380   43.107  140.053   22.012 -3.673752 48.40170 
1 1 1    8   12   19 o  429.846   12.122  240.191   13.497   0.0000   0.0000  240.191   13.497  ?   ?   429.846   12.122 0.000000 12.12240 
1 1 1    8   12   20 o  498.562   15.166  324.052   19.585   0.0000   0.0000  324.052   19.585  ?   ?   498.562   15.166 0.000000 15.16555 
1 1 1    8   12   21 o  194.248   15.641   49.572   7.8030   46.110   18.256   50.346   8.6312  180.768   40.042  195.476   17.222 -14.70825 43.58887 
1 1 1    8   12   22 o  163.872   17.641   35.586   7.3704   14.280   17.004   40.515   8.1786  113.492   42.644  174.825   18.333 -61.33282 46.41825 
1 1 1    8   12   23 o  235.073   13.641   72.405   8.2707   89.600   18.745   68.248   9.2163  256.912   28.656  227.768   15.717 29.14424 32.68298 
1 1 1    8   12   24 o   84.133   27.009   9.3604   6.6724   9.1600   15.250   9.4079   7.4204  100.078   39.624   85.384   28.548 14.69414 48.83659 
1 1 1    8   12   25 o   68.439   26.294   4.4676   6.5527  -0.7270   15.210   5.6515   7.2611   84.401   36.843   73.777   27.837 10.62392 46.17678 
1 1 1    8   12   26 o  154.402   27.194   33.215   10.479   22.730   16.919   39.740   13.347  126.563   43.103  167.217   31.980 -40.65396 53.67162 
1 1 1    8   12   27 o   44.371   20.231  -3.0506   5.1446   2.3223   7.0901  -9.0252   7.4765   64.420   26.471   46.931   22.348 17.48848 34.64283 
1 1 1    8   12   28 o   57.649   23.812   1.6451   5.7756   5.4432   8.6884  -1.3621   7.7310   76.378   30.013   59.102   26.020 17.27597 39.72231 
1 1 1    8   12   29 o   53.553   22.863   0.3244   5.6075   2.3393   8.4115  -1.2874   7.5230   68.445   28.542   58.222   25.649 10.22323 38.37315 
1 1 1    8   12   30 o   75.557   27.874   6.7868   7.1996   6.8670   10.261   6.7090   10.104   82.458   32.549   81.779   32.293 0.6790848 45.85008 
1 1 1    8   12   31 o  117.932   20.823   19.406   6.1284   23.813   8.9520   15.519   8.4073  127.818   27.827  102.675   29.835 25.14306 40.79840 
1 1 1    8   12   32 o   99.086   23.937   14.176   6.0750   10.280   9.2062   17.181   8.0852   87.362   31.628  107.526   28.550 -20.16447 42.60761 
1 1 1    8   12   33 o   94.225   24.877   12.994   6.1611   12.604   9.3194   13.297   8.2115   92.963   31.982   94.568   29.921 -1.605179 43.79637 
1 1 1    8   12   34 f  143.449   25.259   29.998   9.0428   0.0000   0.0000   29.998   9.0428  ?   ?   143.449   25.259 0.000000 25.25889 
1 1 1    8   12   35 o   75.771   26.558   7.9352   6.4406   18.615   9.7988  -0.1886   8.5460  108.394   32.400   61.951   27.312 46.44325 42.37629 
1 1 1    8   12   36 f  153.469   22.427   33.932   8.6522   38.093   10.704   26.090   14.696  159.447   26.872  121.343   40.160 38.10358 48.32128 
1 1 1    8   12   37 o   82.289   30.080   9.8827   8.3565  -5.4200   17.544   14.373   9.5038   75.923   35.562   94.755   32.305 -18.83178 48.04419 
1 1 1    8   12   38 o   39.305   19.304 -11.8897   6.7875  -6.0162   10.174 -16.6009   9.1118   57.474   26.971   44.310   21.878 13.16338 34.72893 
1 1 1    8   12   39 o   90.455   28.576   13.316   7.4923   13.199   10.636   13.432   10.556   89.210   33.683   89.738   33.624 -0.5281448 47.59283 
1 1 1    8   12   40 o   55.290   25.698  -3.6441   8.8785  -0.2252   11.213  -9.3890   14.535   65.613   29.899   63.540   30.499 2.072926 42.70983 
1 1 1    8   12   41 o  110.476   27.679   20.301   7.9043   15.410   11.267   25.042   11.092   91.283   34.619  115.402   34.467 -24.11911 48.85130 
1 1 1    8   12   42 o   79.458   28.816   10.608   7.6468   16.115   10.868   5.2098   10.761   91.663   34.162   70.707   30.924 20.95580 46.07942 
1 1 1    8   12   43 o   59.042   26.233   1.6891   8.0349   5.4008   11.899  -1.4214   10.893   71.145   31.747   60.963   28.378 10.18227 42.58120 
1 1 1    8   12   44 o   62.808   28.046   3.1388   9.3035   20.930   15.743  -6.4082   11.533   91.115   38.583   56.187   27.021 34.92810 47.10372 
1 1 1    8   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   13    1 o  725.234   15.613  683.115   29.329   0.0000   0.0000  683.115   29.329  ?   ?   725.234   15.613 0.000000 15.61252 
1 1 1    8   13    2 o  274.622   13.920   98.146   9.8696  106.563   14.436   90.758   13.524  285.540   19.637  263.365   19.973 22.17496 28.00949 
1 1 1    8   13    3 o  436.553   10.949  247.172   12.382  292.316   18.715  212.031   16.512  474.440   15.229  404.028   15.777 70.41205 21.92789 
1 1 1    8   13    4 o  335.359   11.524  145.888   10.010  151.927   14.619  140.556   13.736  341.950   16.505  328.929   16.121 13.02087 23.07150 
1 1 1    8   13    5 o   95.367   27.044   12.185   6.9882   29.772   10.623  -1.2338   9.2787  148.433   28.666   67.017   29.019 81.41521 40.79002 
1 1 1    8   13    6 o  119.255   22.768   19.148   6.7766   25.656   10.310   14.197   8.9921  137.396   29.824  103.563   31.057 33.83345 43.05779 
1 1 1    8   13    7 o  397.314   10.689  204.745   11.001  189.679   15.587  219.698   15.528  382.094   15.748  411.312   14.575 -29.21783 21.45775 
1 1 1    8   13    8 o  386.786   10.767  194.053   10.787  198.191   15.854  190.486   14.719  390.557   15.672  382.954   14.838 7.602814 21.58179 
1 1 1    8   13    9 o  1044.23   14.301  1416.18   38.681  1481.00   69.165  1386.68   46.660  1064.79   25.077  1032.59   17.445 32.19653 30.54785 
1 1 1    8   13   10 o  468.192   13.838  284.677   16.782  293.500   24.779  277.200   22.811  474.667   20.153  461.436   19.085 13.23175 27.75547 
1 1 1    8   13   11 o  619.187   12.076  497.639   19.368  496.732   24.355  499.200   31.945  618.227   15.209  618.993   19.924 -0.7664795 25.06491 
1 1 1    8   13   12 o  577.443   10.470  432.608   15.660  437.946   22.705  427.764   21.629  580.450   15.101  573.736   14.553 6.713745 20.97233 
1 1 1    8   13   13 o  223.005   15.061   64.948   8.6488   60.528   12.727   68.741   11.789  213.964   23.341  228.737   20.102 -14.77264 30.80435 
1 1 1    8   13   14 o  473.667   10.854  291.201   13.317  313.685   19.554  271.749   18.187  491.087   15.372  457.085   15.361 34.00229 21.73139 
1 1 1    8   13   15 o  212.669   14.293   59.074   7.8280   49.340   17.719   61.434   8.7257  189.509   37.424  216.718   15.649 -27.20932 40.56421 
1 1 1    8   13   16 o  620.362   12.528  500.100   20.131  520.100   36.207  491.151   24.219  630.414   22.173  614.300   15.221 16.11371 26.89403 
1 1 1    8   13   17 o  232.421   13.990   70.533   8.3832   89.880   20.874   66.813   9.1539  258.598   31.834  225.938   15.739 32.65990 35.51229 
1 1 1    8   13   18 o  804.949   11.218  841.906   23.390  868.900   49.615  834.192   26.523  813.284   23.552  800.866   12.785 12.41803 26.79825 
1 1 1    8   13   19 o  302.839   16.713  120.097   13.059   0.0000   0.0000  120.097   13.059  ?   ?   302.839   16.713 0.000000 16.71255 
1 1 1    8   13   20 o  276.613   12.465   99.607   8.9312   78.770   19.535  105.113   10.042  240.642   32.143  284.011   13.650 -43.36858 34.92113 
1 1 1    8   13   21 o  158.031   18.549   33.199   7.4487   36.350   17.424   32.494   8.2396  159.398   41.717  155.771   20.952 3.626999 46.68243 
1 1 1    8   13   22 o  273.584   12.777   97.644   9.0544   70.090   19.643  105.078   10.203  224.407   34.928  283.623   13.888 -59.21574 37.58773 
1 1 1    8   13   23 o  166.983   17.062   37.018   7.2764   50.530   17.781   34.300   7.9748  187.907   37.840  160.025   19.652 27.88220 42.63834 
1 1 1    8   13   24 o   97.206   26.467   13.165   6.8438   13.910   16.004   12.999   7.5710  109.298   41.306   96.842   28.362 12.45612 50.10552 
1 1 1    8   13   25 o   73.412   30.571   2.5230   9.6316   8.9490   16.111  -1.0510   12.015  100.232   40.375   74.681   32.669 25.55168 51.93622 
1 1 1    8   13   26 o  262.553   13.349   90.673   9.0484   97.820   19.944   88.820   10.154  265.137   29.541  259.266   15.185 5.870850 33.21565 
1 1 1    8   13   27 o  123.104   24.194   21.182   7.4398   35.940   17.008   17.689   8.2733  153.285   41.719  111.180   28.573 42.10479 50.56560 
1 1 1    8   13   28 f  163.350   18.113   35.974   7.5350   44.120   18.261   34.303   8.2720  168.676   41.966  158.556   20.629 10.12086 46.76242 
1 1 1    8   13   29 o  181.111   14.165   43.592   6.5924   47.266   9.6049   40.320   9.0647  186.256   20.234  171.631   20.815 14.62518 29.02886 
1 1 1    8   13   30 o  121.053   26.764   21.207   8.1691   19.030   11.245   23.640   11.887  112.394   34.934  124.319   35.278 -11.92497 49.64767 
1 1 1    8   13   31 o  159.372   16.934   34.456   6.8837   49.207   10.087   21.600   9.4172  188.633   21.001  119.997   30.293 68.63605 36.86102 
1 1 1    8   13   32 o   62.451   24.732   3.6375   5.9424  -2.3904   8.2351   10.186   8.5835   57.968   26.096   85.888   30.605 -27.92036 40.22028 
1 1 1    8   13   33 o   80.623   26.682   9.2728   6.4867   9.1714   9.8086   9.3517   8.6478   84.331   32.225   83.175   30.570 1.155380 44.41830 
1 1 1    8   13   34 o  116.583   23.115   19.743   6.7338   13.330   9.6876   25.738   9.3666   93.902   32.591  130.153   28.567 -36.25096 43.33838 
1 1 1    8   13   35 o  169.858   17.855   39.962   7.7385   41.832   11.320   38.321   10.603  167.269   27.049  160.450   26.433 6.818436 37.81992 
1 1 1    8   13   36 o  154.116   30.547   37.400   11.764   36.340   17.812   38.220   15.666  137.105   44.141  145.827   40.186 -8.722839 59.69373 
1 1 1    8   13   37 o  202.867   16.128   56.795   8.4051   52.245   11.933   61.274   11.841  186.510   25.358  204.839   22.697 -18.32904 34.03206 
1 1 1    8   13   38 o   65.269   26.501   4.5686   7.0009   5.3344   10.356   3.9242   9.5006   73.454   31.208   69.341   29.686 4.112640 43.07171 
1 1 1    8   13   39 o   53.874   24.889  -3.0947   8.1418   9.7610   14.326  -9.2284   9.8953   84.066   36.229   52.345   25.136 31.72173 44.09492 
1 1 1    8   13   40 o   90.606   27.343   13.638   6.9542   14.656   9.2194   12.293   10.592   91.021   31.782   84.937   33.209 6.083748 45.96644 
1 1 1    8   13   41 o   60.930   26.492   2.5403   7.7971   12.467   11.369  -6.2744   10.713   84.167   33.912   56.408   26.830 27.75888 43.24199 
1 1 1    8   13   42 o   54.360   24.924  -1.2914   7.9512   12.863   11.498 -14.2644   11.007   83.429   33.929   49.880   24.515 33.54924 41.85853 
1 1 1    8   13   43 o   98.951   30.426   18.487   8.5564   25.740   12.418   11.930   11.806  107.205   36.916   79.875   33.595 27.32939 49.91415 
1 1 1    8   13   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   14    0 o  747.353   15.049  725.461   29.132  734.300   41.913  717.200   40.520  750.766   21.552  742.066   21.080 8.699280 30.14768 
1 1 1    8   14    1 o  532.771   11.853  368.277   16.358  399.600   28.472  352.844   19.985  554.078   19.838  521.229   14.802 32.84918 24.75154 
1 1 1    8   14    2 o  730.987   12.384  693.410   23.449  709.900   40.476  685.080   28.769  738.242   21.167  726.210   15.293 12.03180 26.11359 
1 1 1    8   14    3 o  739.149   12.413  709.003   23.766  730.200   41.388  698.576   29.028  748.662   21.342  733.318   15.282 15.34460 26.24915 
1 1 1    8   14    4 o  1023.93   14.224  1361.49   37.727  1411.00   66.480  1337.98   45.820  1039.62   24.687  1014.38   17.438 25.24011 30.22482 
1 1 1    8   14    5 o  453.515   14.118  267.093   16.586  273.000   24.125  261.800   22.838  457.845   20.343  448.437   19.661 9.408508 28.29118 
1 1 1    8   14    6 o  422.371   14.232  231.696   15.571  252.200   22.843  213.900   21.281  440.063   20.039  404.734   20.364 35.32809 28.57076 
1 1 1    8   14    7 o  403.254   14.400  211.231   15.041  241.200   22.496  187.000   20.228  430.303   20.183  378.270   20.723 52.03357 28.92730 
1 1 1    8   14    8 o  155.546   21.759   32.154   8.5270   24.138   10.906   44.760   13.677  132.904   32.052  182.402   29.989 -49.49750 43.89388 
1 1 1    8   14    9 o  487.749   10.570  308.645   13.354  323.423   19.630  295.913   18.220  498.834   15.192  477.197   14.740 21.63702 21.16751 
1 1 1    8   14   10 o  231.730   14.115   70.027   8.4321   77.985   12.561   63.500   11.376  243.784   20.070  219.794   20.208 23.98975 28.48116 
1 1 1    8   14   11 o  178.102   17.481   41.686   7.9605   36.941   12.161   45.244   10.530  165.292   29.485  184.791   22.461 -19.49872 37.06527 
1 1 1    8   14   12 o  552.011   10.676  395.462   15.265  425.772   22.716  370.507   20.612  572.154   15.328  533.792   14.907 38.36206 21.38120 
1 1 1    8   14   13 o  491.147   10.857  313.129   13.813  308.959   20.112  316.852   19.004  487.232   15.936  493.572   14.864 -6.339569 21.79214 
1 1 1    8   14   14 o  269.618   14.059   94.787   9.7846   92.609   14.609   96.559   13.177  265.309   21.441  271.413   18.860 -6.103882 28.55515 
1 1 1    8   14   15 o   99.647   31.380   13.016   9.0405  -5.0180   18.164   18.955   10.423   89.432   39.603  117.836   32.893 -28.40386 51.48176 
1 1 1    8   14   16 o  363.254   11.379  171.436   10.707  151.200   22.938  177.073   12.106  337.851   26.422  369.039   12.665 -31.18854 29.29995 
1 1 1    8   14   17 o  408.855   10.906  217.188   11.550  197.700   24.919  222.520   13.034  386.716   25.010  413.684   12.164 -26.96722 27.81110 
1 1 1    8   14   18 o  316.008   16.718  130.768   13.636   0.0000   0.0000  130.768   13.636  ?   ?   316.008   16.718 0.000000 16.71785 
1 1 1    8   14   19 o  189.175   16.097   47.083   7.8127   22.500   18.569   52.371   8.6121  131.379   45.148  199.449   16.827 -68.06992 48.18187 
1 1 1    8   14   20 o  168.423   18.029   37.607   7.7432   8.9950   19.591   42.904   8.4296  109.507   44.378  179.946   18.341 -70.43915 48.01849 
1 1 1    8   14   21 o  375.181   11.164  183.326   10.849  184.300   23.696  183.068   12.204  371.392   24.773  374.637   12.575 -3.245209 27.78229 
1 1 1    8   14   22 o  350.836   11.758  160.555   10.685  139.600   23.469  166.034   12.001  320.506   28.569  356.492   12.996 -35.98611 31.38582 
1 1 1    8   14   23 o  222.401   14.461   65.117   8.2857   75.510   19.629   62.864   9.1399  231.890   33.663  218.023   16.302 13.86641 37.40259 
1 1 1    8   14   24 o  234.524   19.622   73.535   11.811   84.070   19.949   67.850   14.655  244.757   32.251  222.657   25.893 22.09967 41.35932 
1 1 1    8   14   25 o  118.377   24.269   19.556   7.1918   15.410   17.367   20.415   7.9011  112.427   42.899  120.456   26.078 -8.028732 50.20380 
1 1 1    8   14   26 o  179.119   17.954   43.028   8.2181   49.880   18.654   41.378   9.1544  181.633   40.661  174.668   20.631 6.964706 45.59568 
1 1 1    8   14   27 o  128.602   22.520   22.956   7.2285   18.800   17.049   23.867   7.9814  116.544   42.910  130.442   24.522 -13.89838 49.42273 
1 1 1    8   14   28 o  164.067   18.635   36.485   7.7790   36.010   17.128   36.608   8.7314  150.946   42.177  163.339   21.132 -12.39378 47.17519 
1 1 1    8   14   29 o  163.908   27.544   38.521   11.280   0.0000   0.0000   38.521   11.280  ?   ?   163.908   27.544 0.000000 27.54406 
1 1 1    8   14   30 o  149.258   19.754   30.728   7.4498   27.640   17.618   31.400   8.2209  129.495   43.985  149.950   21.804 -20.45416 49.09278 
1 1 1    8   14   31 o   68.171   27.539   4.0552   7.5188   10.090   17.632   2.7139   8.3125   97.992   41.126   67.481   28.275 30.51083 49.90844 
1 1 1    8   14   32 o  178.935   15.925   43.428   7.3039   41.925   10.902   44.653   9.8384  170.054   25.538  178.091   21.781 -8.036880 33.56516 
1 1 1    8   14   33 o   74.102   26.213   7.4556   6.2857   5.7004   9.3343   8.9119   8.5024   75.318   30.594   81.366   30.237 -6.047241 43.01438 
1 1 1    8   14   34 o  114.224   22.564   18.990   6.4394   27.565   10.554   13.905   8.1273  132.185   31.307   94.903   29.732 37.28218 43.17547 
1 1 1    8   14   35 o   73.661   31.162   4.4280   10.254  -2.8330   16.381   9.1060   13.148   76.630   35.367   86.553   35.854 -9.923050 50.36154 
1 1 1    8   14   36 o   72.428   27.232   7.0308   6.9362   4.6310   10.534   8.8679   9.2163   73.788   31.415   80.174   31.079 -6.386574 44.19054 
1 1 1    8   14   37 o  252.785   13.970   87.066   9.1122   90.357   13.207   84.075   12.588  250.544   20.531  241.935   20.274 8.609573 28.85398 
1 1 1    8   14   38 o   44.896   21.561  -7.9264   7.2846   18.974   11.336 -26.8507   9.5077  101.713   35.257   39.054   19.719 62.65825 40.39676 
1 1 1    8   14   39 o   94.609   33.185   16.229   10.057   15.630   13.888   16.890   14.582   91.719   37.293   93.773   38.181 -2.053658 53.37191 
1 1 1    8   14   40 o  105.723   28.454   19.100   7.9642   14.418   11.879   22.923   10.734   88.145   34.949  109.589   34.141 -21.44379 48.85740 
1 1 1    8   14   41 o   83.754   29.646   12.394   8.0412   9.1039   11.259   15.819   11.488   76.933   32.606   89.662   34.715 -12.72872 47.62652 
1 1 1    8   14   42 o  146.075   26.951   35.991   9.8218   53.390   16.858   27.049   12.085  153.152   41.472  112.213   36.383 40.93844 55.16940 
1 1 1    8   14   43 o   56.294   25.401   1.0344   7.8563   23.900   15.790  -6.4891   9.0570   94.277   39.191   49.932   23.996 44.34523 45.95387 
1 1 1    8   15    0 o  435.638   10.755  246.201   12.137  254.095   17.658  239.133   16.709  442.181   15.417  429.000   15.036 13.18054 21.53527 
1 1 1    8   15    1 o  347.768   11.385  156.930   10.255  157.865   14.594  156.019   14.415  348.472   16.168  346.437   16.063 2.035065 22.79074 
1 1 1    8   15    2 o  108.787   26.725   16.097   7.4765   13.333   11.132   18.368   10.091  103.841   34.966  116.473   32.312 -12.63219 47.60943 
1 1 1    8   15    3 f  660.833   10.634  566.530   18.203  578.838   26.331  555.263   25.193  667.392   15.231  653.711   14.878 13.68091 21.29220 
1 1 1    8   15    4 o  331.428   11.531  142.547   9.8998   98.473   13.634  191.695   14.398  274.309   19.312  384.121   14.470 -109.8124 24.13155 
1 1 1    8   15    5 o  625.402   10.591  507.435   17.158  520.718   24.891  495.407   23.684  632.966   15.181  617.443   14.809 15.52289 21.20762 
1 1 1    8   15    6 o  738.230   10.950  707.161   20.939  789.864   31.842  644.150   27.794  779.422   15.772  703.956   15.242 75.46582 21.93345 
1 1 1    8   15    7 o  392.912   10.946  200.332   11.141  200.328   16.286  200.336   15.273  392.474   16.019  392.581   15.019 -0.1061096 21.95914 
1 1 1    8   15    8 o  303.401   12.402  119.529   9.7464  123.648   14.496  116.131   13.167  307.588   18.276  298.227   17.116 9.361084 25.03943 
1 1 1    8   15    9 o  714.838   10.905  663.188   20.191  682.853   29.292  645.386   27.871  724.571   15.607  704.476   15.273 20.09521 21.83703 
1 1 1    8   15   10 o  184.974   18.249   45.010   8.6297   45.321   12.948   44.761   11.575  183.720   28.102  183.216   25.046 0.5043793 37.64368 
1 1 1    8   15   11 o  515.433   10.881  344.874   14.528  324.081   20.641  365.285   20.451  498.995   15.970  529.937   14.898 -30.94165 21.84002 
1 1 1    8   15   12 o  615.675   10.926  492.139   17.425  506.975   25.459  479.065   23.899  624.063   15.749  606.746   15.206 17.31702 21.89228 
1 1 1    8   15   13 o  360.914   12.121  169.249   11.332  173.174   16.341  165.614   15.727  364.466   17.309  356.457   17.033 8.008240 24.28424 
1 1 1    8   15   14 o  427.902   11.597  237.895   12.854  238.458   18.940  237.415   17.501  427.613   17.099  426.886   15.827 0.7269592 23.29957 
1 1 1    8   15   15 o  358.707   12.364  167.301   11.488  168.144   17.210  166.623   15.429  358.256   18.610  357.409   16.665 0.8464355 24.98082 
1 1 1    8   15   16 o  388.078   12.333  195.890   12.398   0.0000   0.0000  195.890   12.398  ?   ?   388.078   12.333 0.000000 12.33294 
1 1 1    8   15   17 o  284.376   17.104  106.067   12.540   0.0000   0.0000  106.067   12.540  ?   ?   284.376   17.104 0.000000 17.10373 
1 1 1    8   15   18 o  185.682   16.709   45.445   7.9504   26.490   20.124   48.951   8.6545  140.111   47.013  192.602   17.539 -52.49095 50.17791 
1 1 1    8   15   19 o  332.550   11.871  144.037   10.226  128.000   23.063  147.961   11.408  307.900   29.270  336.848   13.075 -28.94781 32.05723 
1 1 1    8   15   20 o   93.334   27.458   11.898   7.0819 -11.2200   18.148   16.051   7.6918   81.332   37.424  107.448   27.516 -26.11637 46.45093 
1 1 1    8   15   21 o  121.992   23.720   20.473   7.2256   9.0190   17.936   22.692   7.8945  104.967   42.488  128.341   24.643 -23.37352 49.11728 
1 1 1    8   15   22 o  211.746   14.859   59.119   8.0981   36.950   19.262   63.878   8.9252  157.004   45.027  219.901   15.774 -62.89699 47.70970 
1 1 1    8   15   23 o   59.061   27.220  -6.4988   9.6527 -34.3200   18.460   3.9710   11.324   64.455   31.692   80.904   33.373 -16.44836 46.02374 
1 1 1    8   15   24 f   82.234   27.615   8.8695   6.9437   19.420   18.223   7.0774   7.5103  120.307   44.353   77.913   28.511 42.39429 52.72655 
1 1 1    8   15   25 o   89.214   27.874   11.007   7.1490   8.7370   17.778   11.445   7.8082  101.564   41.846   91.168   29.212 10.39550 51.03376 
1 1 1    8   15   26 o  283.146   12.190  105.230   8.9403  100.900   21.079  106.179   9.8722  266.355   31.140  284.022   13.419 -17.66678 33.90809 
1 1 1    8   15   27 o   89.181   27.675   11.193   7.0605 -13.5000   16.293   16.903   7.8343   71.560   33.752  108.113   27.815 -36.55278 43.73669 
1 1 1    8   15   28 o   67.019   27.352   3.2438   7.5055   0.0000   0.0000   3.2438   7.5055  ?   ?    67.019   27.352 0.000000 27.35151 
1 1 1    8   15   29 o   64.418   27.176   1.8432   7.7637 -19.1700   16.625   7.7033   8.7797   66.919   32.248   80.428   30.546 -13.50872 44.41840 
1 1 1    8   15   30 f   53.001   23.705  -1.7971   6.6752  -5.7300   15.535  -0.9065   7.3925   74.985   34.549   57.429   25.356 17.55544 42.85489 
1 1 1    8   15   31 o   84.682   28.107   10.354   7.1961   13.480   15.898   9.5487   8.0702   99.942   40.160   83.067   29.668 16.87569 49.93037 
1 1 1    8   15   32 o   79.633   27.402   8.9906   6.8413   25.090   16.524   5.6602   7.5156  119.820   42.489   71.282   27.944 48.53742 50.85496 
1 1 1    8   15   33 o   44.523   21.486  -9.8498   7.4428 -14.5800   15.615  -8.4591   8.4665   65.578   31.513   50.026   23.810 15.55248 39.49693 
1 1 1    8   15   34 o  206.331   16.960   58.678   8.9841   61.073   10.661   52.810   16.686  208.113   20.024  176.479   37.648 31.63429 42.64252 
1 1 1    8   15   35 o  100.709   30.852   16.470   8.8071   4.3320   17.899   20.347   10.116   85.299   38.429  110.354   32.907 -25.05492 50.59294 
1 1 1    8   15   36 o   55.408   24.420   0.1248   6.8265  -1.6001   9.6719   1.8371   9.6363   61.342   27.881   66.424   29.152 -5.081963 40.33789 
1 1 1    8   15   37 o   58.874   25.747   1.1932   7.4580   1.8571   11.337   0.6867   9.9027   69.222   30.930   64.436   28.842 4.785797 42.29115 
1 1 1    8   15   38 o  116.467   29.065   22.789   8.7405   24.440   15.000   21.940   10.755  107.370   40.110  108.736   34.224 -1.366196 52.72660 
1 1 1    8   15   39 o   58.967   26.735  -0.2421   8.8235  -0.3000   11.378  -0.1547   13.976   64.627   29.699   69.370   32.242 -4.742783 43.83531 
1 1 1    8   15   40 f  114.494   27.690   22.282   8.1223   37.662   11.849   8.6502   11.155  143.733   32.578   76.199   32.382 67.53471 45.93437 
1 1 1    8   15   41 o   88.190   29.703   14.279   8.0335   2.9502   12.224   22.891   10.658   68.050   31.090  106.349   34.135 -38.29863 46.17128 
1 1 1    8   15   42 o   99.037   31.352   19.303   9.0148 -14.0800   15.726   35.641   11.002   58.436   28.832  137.471   31.563 -79.03470 42.74911 
1 1 1    8   15   43 o   84.435   30.243   14.407   8.3920   6.9350   12.068   21.404   11.678   69.508   31.413   94.500   35.373 -24.99137 47.30761 
1 1 1    8   16    0 o  394.698   15.915  202.606   16.271   0.0000   0.0000  202.606   16.271  ?   ?   394.698   15.915 0.000000 15.91495 
1 1 1    8   16    1 o  473.615   10.822  291.077   13.277  293.607   19.408  288.852   18.202  475.156   15.769  471.395   14.907 3.761566 21.69960 
1 1 1    8   16    2 o  514.651   10.715  343.694   14.284  348.017   20.569  339.668   19.851  517.360   15.349  511.163   14.992 6.197296 21.45576 
1 1 1    8   16    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   16    4 o  1071.14   12.723  1490.09   35.301  1497.43   50.364  1483.01   49.493  1072.24   18.133  1067.15   17.905 5.099121 25.48321 
1 1 1    8   16    5 o  234.933   15.035   72.056   9.1018  100.458   13.968   51.097   11.999  276.896   19.601  196.202   24.118 80.69395 31.07832 
1 1 1    8   16    6 o  334.028   12.296  144.898   10.639  146.152   15.734  143.842   14.441  334.440   18.231  331.993   16.847 2.446289 24.82320 
1 1 1    8   16    7 o  543.568   10.783  383.499   15.183  386.862   21.810  380.337   21.149  545.329   15.440  540.762   15.099 4.566406 21.59556 
1 1 1    8   16    8 o  518.195   15.154  349.323   20.340   0.0000   0.0000  349.323   20.340  ?   ?   518.195   15.154 0.000000 15.15365 
1 1 1    8   16    9 o  119.703   28.145   19.596   8.5802   5.3094   12.656   31.747   11.672   89.346   35.857  152.533   30.606 -63.18681 47.14256 
1 1 1    8   16   10 o  133.171   26.045   24.075   8.6624   26.959   13.377   21.993   11.368  139.760   36.539  126.594   33.963 13.16579 49.88563 
1 1 1    8   16   11 o  661.093   10.994  567.571   18.826  556.602   26.900  578.100   26.356  653.713   15.886  666.361   15.269 -12.64795 22.03448 
1 1 1    8   16   12 o  178.873   19.736   42.317   8.9920   56.194   13.982   32.529   11.742  204.852   27.009  154.232   30.473 50.61951 40.71922 
1 1 1    8   16   13 o  423.391   11.601  232.966   12.723  246.051   18.801  221.911   17.280  434.320   16.711  412.557   16.170 21.76248 23.25391 
1 1 1    8   16   14 o  669.335   11.143  582.229   19.319  590.885   28.264  574.638   26.467  673.010   16.213  663.930   15.390 9.080383 22.35424 
1 1 1    8   16   15 o  352.200   18.367  162.720   16.698  171.900   24.706  155.000   22.655  359.534   26.720  341.617   25.793 17.91699 37.13759 
1 1 1    8   16   16 o  202.560   21.836   54.578   11.276   54.621   13.708   54.490   19.831  201.279   26.969  196.701   40.277 4.577820 48.47262 
1 1 1    8   16   17 o  129.934   23.485   22.960   7.6134   22.210   19.284   23.099   8.2866  131.087   45.955  129.854   25.546 1.233063 52.57773 
1 1 1    8   16   18 o  285.008   12.876  105.940   9.5058  100.200   21.824  107.284   10.560  270.858   31.706  286.590   14.225 -15.73251 34.75051 
1 1 1    8   16   19 o  267.829   13.472   93.947   9.3166   68.860   21.462   99.772   10.342  220.000   39.094  275.780   14.528 -55.78008 41.70620 
1 1 1    8   16   20 o  231.276   14.566   70.350   8.6815   59.250   21.060   72.622   9.5287  201.500   41.723  234.691   15.766 -33.19136 44.60244 
1 1 1    8   16   21 o  180.502   22.759   44.169   10.405   57.560   20.155   39.303   12.149  198.057   40.649  167.833   28.993 30.22298 49.92924 
1 1 1    8   16   22 o   73.461   31.394   0.9889   10.593 -12.4200   18.831   7.1950   12.811   80.570   37.440   90.328   36.138 -9.758209 52.03588 
1 1 1    8   16   23 o  125.025   23.433   21.704   7.3099   46.060   19.345   17.646   7.8953  173.419   43.219  111.418   27.519 62.00085 51.23651 
1 1 1    8   16   24 o  150.402   21.075   30.906   7.9852   32.720   19.816   30.554   8.7249  144.754   46.553  148.649   23.436 -3.895279 52.11917 
1 1 1    8   16   25 o  133.363   22.567   24.681   7.5176   24.130   18.173   24.794   8.2572  126.953   44.605  132.771   24.925 -5.817535 51.09626 
1 1 1    8   16   26 o   74.779   27.042   6.8450   6.7277   27.700   17.728   3.3360   7.2717  132.718   44.118   66.764   27.043 65.95421 51.74654 
1 1 1    8   16   27 o  138.258   21.026   26.489   7.2928   18.520   17.911   28.072   7.9846  114.237   43.571  141.770   22.494 -27.53338 49.03514 
1 1 1    8   16   28 o  149.925   29.624   33.168   11.097   0.0000   0.0000   33.168   11.097  ?   ?   149.925   29.624 0.000000 29.62423 
1 1 1    8   16   29 o   66.243   26.475   4.0161   6.8687   7.8800   15.930   3.1337   7.6127   92.442   38.959   66.318   27.361 26.12383 47.60690 
1 1 1    8   16   30 o  122.311   23.609   21.632   7.2090  -6.2590   15.353   29.521   8.1652   73.271   33.965  143.905   22.654 -70.63392 40.82622 
1 1 1    8   16   31 o   82.960   27.550   10.025   6.9136   14.150   16.233   9.1115   7.6412  100.000   40.441   80.790   28.867 19.21080 49.68704 
1 1 1    8   16   32 o   64.904   25.329   4.6121   6.1533  -6.0600   15.934   6.4826   6.6708   73.400   34.219   71.372   26.731 2.027908 43.42212 
1 1 1    8   16   33 o   64.792   28.096   1.5465   8.7232   3.0590   16.416   0.9513   10.297   82.973   37.137   67.979   29.975 14.99413 47.72453 
1 1 1    8   16   34 o   79.372   36.018   1.3130   16.059   1.3130   16.059   0.0000   0.0000   79.372   36.018  ?   ?  0.000000 36.01778 
1 1 1    8   16   35 o   73.201   29.282   6.6379   8.4099   14.750   18.244   4.4489   9.4769   96.199   41.159   70.672   29.931 25.52707 50.89126 
1 1 1    8   16   36 o  145.456   21.291   31.197   7.7843   15.354   11.066   46.717   10.953   93.732   34.561  174.769   24.897 -81.03694 42.59523 
1 1 1    8   16   37 o   52.249   23.970  -2.2693   7.3689   8.3648   11.105 -10.6344   9.8496   78.052   32.692   50.624   24.499 27.42821 40.85344 
1 1 1    8   16   38 o  110.555   34.238   23.285   10.813   28.920   16.124   18.680   14.576  111.669   41.611   95.130   38.374 16.53821 56.60426 
1 1 1    8   16   39 o   53.365   24.332  -1.0781   7.4412  -4.1276   11.325   1.2383   9.8709   59.506   28.090   62.828   28.400 -3.321960 39.94476 
1 1 1    8   16   40 o   51.191   23.777  -2.5208   7.5801 -16.4103   11.580   7.8917   10.027   49.576   24.513   72.857   30.818 -23.28172 39.37771 
1 1 1    8   16   41 o   44.607   21.812 -10.3777   8.3802   10.730   13.848 -22.5729   10.526   77.746   34.496   42.774   21.487 34.97247 40.64090 
1 1 1    8   16   42 o   41.293   20.420 -12.5322   8.0469 -13.4614   11.996 -11.7720   10.850   50.962   25.151   49.544   24.348 1.418251 35.00567 
1 1 1    8   17    0 o  521.334   11.056  352.825   14.930  364.258   21.940  342.965   20.375  529.041   16.010  513.450   15.320 15.59027 22.15864 
1 1 1    8   17    1 o  401.394   11.807  209.226   12.276  224.647   18.065  195.995   16.733  415.360   16.790  387.987   16.649 27.37323 23.64552 
1 1 1    8   17    2 o  522.158   11.038  353.949   14.930  351.219   21.594  356.449   20.665  519.464   16.048  523.444   15.241 -3.980286 22.13231 
1 1 1    8   17    3 o  241.646   15.238   76.267   9.4892   77.234   14.595   75.559   12.489  241.777   23.606  239.738   20.302 2.038132 31.13538 
1 1 1    8   17    4 o  540.701   10.984  379.553   15.384  396.390   22.435  364.610   21.135  551.878   15.694  529.338   15.414 22.54004 21.99757 
1 1 1    8   17    5 o  400.266   11.580  208.065   12.007  218.330   17.817  199.526   16.251  409.406   16.801  391.480   16.026 17.92615 23.21819 
1 1 1    8   17    6 o  323.298   12.777  135.833   10.700  147.815   15.826  125.745   14.522  336.179   18.243  310.004   18.164 26.17511 25.74327 
1 1 1    8   17    7 o  303.049   18.389  120.245   14.367   0.0000   0.0000  120.245   14.367  ?   ?   303.049   18.389 0.000000 18.38910 
1 1 1    8   17    8 o  498.900   11.108  323.260   14.355  329.867   21.013  317.478   19.658  503.203   16.121  493.793   15.369 9.409180 22.27300 
1 1 1    8   17    9 o  678.956   11.086  598.769   19.497  605.878   28.391  592.424   26.821  681.891   16.074  674.456   15.352 7.434814 22.22734 
1 1 1    8   17   10 o  308.113   13.576  123.515   10.835  128.118   16.012  119.627   14.715  312.374   19.893  302.005   18.906 10.36871 27.44365 
1 1 1    8   17   11 o  202.162   17.834   53.777   9.2433   48.459   13.741   58.173   12.492  189.340   28.935  209.178   23.460 -19.83762 37.25072 
1 1 1    8   17   12 o  102.725   29.828   14.307   8.4061  -2.2863   13.425   25.010   10.781   78.921   34.528  134.508   31.498 -55.58667 46.73663 
1 1 1    8   17   13 o  296.057   20.889  115.562   15.916  111.700   23.570  118.800   21.580  287.591   32.193  298.043   28.291 -10.45197 42.85733 
1 1 1    8   17   14 o   94.796   36.135   8.9001   12.314   19.590   19.387   1.6700   15.944  127.016   45.910   91.302   38.754 35.71358 60.08009 
1 1 1    8   17   15 o  465.228   11.595  281.682   13.973  295.017   20.794  270.701   18.869  474.820   16.906  455.073   16.007 19.74768 23.28225 
1 1 1    8   17   16 o  103.124   30.398   14.556   8.6720   30.772   13.763   3.8800   11.168  147.489   36.276   81.569   33.335 65.91988 49.26665 
1 1 1    8   17   17 o  221.176   19.260   64.884   10.924   82.610   21.253   58.519   12.735  244.009   34.594  208.590   24.008 35.41849 42.10830 
1 1 1    8   17   18 o   91.118   27.947   11.257   7.2243   24.320   18.899   9.0216   7.8180  132.844   45.553   84.916   29.289 47.92765 54.15659 
1 1 1    8   17   19 o  228.373   14.560   68.645   8.5684   80.950   21.201   66.243   9.3675  239.545   35.220  223.881   16.264 15.66432 38.79359 
1 1 1    8   17   20 o  179.850   26.207   44.549   11.850   47.850   20.618   42.920   14.481  177.680   44.806  173.404   33.452 4.275726 55.91579 
1 1 1    8   17   21 o  174.480   20.115   41.074   8.9245   46.340   20.248   39.804   9.9424  173.731   44.727  170.666   23.082 3.064667 50.33227 
1 1 1    8   17   22 o   93.383   28.056   12.210   7.3336 -12.4600   18.754   16.664   7.9681   79.740   37.157  108.061   28.176 -28.32143 46.63190 
1 1 1    8   17   23 o  139.746   22.366   26.957   7.8232  -3.0820   19.410   32.783   8.5482   89.719   40.253  154.544   21.972 -64.82481 45.85964 
1 1 1    8   17   24 o   82.920   28.229   9.1365   7.2569   0.6537   18.094   10.763   7.9220   90.481   39.822   88.707   29.492 1.773651 49.55404 
1 1 1    8   17   25 o  166.911   18.907   37.848   8.0304   33.500   18.212   38.898   8.9472  144.112   44.401  168.360   20.971 -24.24814 49.10469 
1 1 1    8   17   26 o   75.081   26.949   7.1055   6.6664  -4.4270   17.292   9.1188   7.2249   81.766   37.208   82.163   28.166 -0.3971634 46.66665 
1 1 1    8   17   27 o  138.137   29.634   28.313   10.286   0.0000   0.0000   28.313   10.286  ?   ?   138.137   29.634 0.000000 29.63448 
1 1 1    8   17   28 o   63.859   26.120   3.0720   6.8643   11.240   17.094   1.5016   7.4952   98.802   40.900   62.397   26.531 36.40490 48.75167 
1 1 1    8   17   29 o  145.937   20.395   29.872   7.4989   24.490   17.635   31.060   8.2852  119.588   43.701  147.775   22.342 -28.18729 49.08079 
1 1 1    8   17   30 o  129.406   23.705   24.377   7.6532   21.870   16.449   25.070   8.6461  113.249   42.062  129.469   26.669 -16.21975 49.80410 
1 1 1    8   17   31 o  214.948   15.741   62.970   8.7035   36.240   18.140   70.963   9.9198  138.332   44.546  227.345   16.967 -89.01257 47.66824 
1 1 1    8   17   32 o   69.554   28.943   4.2029   8.6241  -4.5420   16.043   7.7569   10.228   74.214   34.510   79.898   32.174 -5.684082 47.18204 
1 1 1    8   17   33 o   93.705   30.658   14.077   8.5733   12.320   17.237   14.655   9.8825   94.085   40.124   94.899   32.918 -0.8137436 51.89940 
1 1 1    8   17   34 o   87.246   28.399   12.062   7.3598   28.680   17.614   8.5476   8.1009  117.883   43.578   77.399   29.355 40.48399 52.54233 
1 1 1    8   17   35 f   83.460   28.482   11.137   7.3874   28.040   18.462   7.9150   8.0609  112.950   43.931   74.894   29.056 38.05626 52.67044 
1 1 1    8   17   36 o   66.020   27.165   4.9212   7.4792   0.0760   17.503   6.0035   8.2725   75.934   35.552   69.814   28.629 6.120117 45.64591 
1 1 1    8   17   37 o  119.681   28.482   24.206   8.7020   0.0000   0.0000   24.206   8.7020  ?   ?   119.681   28.482 0.000000 28.48194 
1 1 1    8   17   38 o  114.373   35.644   26.427   11.698   14.530   18.474   34.390   15.114   86.927   39.113  122.421   40.738 -35.49489 56.47506 
1 1 1    8   17   39 o   88.860   29.044   14.303   7.6952   14.261   10.550   14.350   11.249   85.540   33.226   85.347   33.955 0.1927567 47.50703 
1 1 1    8   17   40 o   58.645   26.798   0.5328   9.0876   0.5682   15.289   0.5134   11.301   68.247   32.341   62.745   29.104 5.502075 43.50898 
1 1 1    8   17   41 o  104.110   30.618   21.311   8.8072   30.491   13.407   14.342   11.681  110.523   38.341   81.389   33.761 29.13451 51.08630 
1 1 1    8   17   42 o   47.225   22.979  -7.9136   8.9797 -14.2073   11.182   3.5140   15.068   47.890   23.752   66.774   31.777 -18.88347 39.67289 
1 1 1    8   18    0 f  226.122   17.158   67.033   9.9751   68.125   15.270   66.220   13.175  226.092   26.581  223.648   23.073 2.444565 35.19847 
1 1 1    8   18    1 o  141.414   26.000   27.088   9.1731   16.728   13.893   35.095   12.214  115.297   39.060  160.430   30.506 -45.13308 49.56145 
1 1 1    8   18    2 o  223.895   16.761   65.695   9.6503   65.875   14.794   65.562   12.732  222.351   26.189  222.653   22.379 -0.3021545 34.44799 
1 1 1    8   18    3 o  184.383   19.580   44.904   9.2083   50.123   14.635   41.484   11.847  192.515   30.354  175.600   26.903 16.91502 40.56032 
1 1 1    8   18    4 o  273.541   14.932   97.699   10.540  102.135   16.168   94.420   13.900  278.276   22.626  267.999   20.171 10.27695 30.31181 
1 1 1    8   18    5 o  190.007   20.075   47.719   9.7310   21.246   14.468   69.589   13.150  126.080   39.696  229.367   22.419 -103.2870 45.58970 
1 1 1    8   18    6 o  122.951   28.459   20.745   8.8844   14.381   13.516   25.586   11.789  109.342   38.465  136.044   33.643 -26.70164 51.10143 
1 1 1    8   18    7 o  373.742   12.533  181.636   12.133  187.179   18.320  177.305   16.195  378.478   18.686  368.648   16.959 9.830750 25.23493 
1 1 1    8   18    8 f  294.967   13.906  113.264   10.625  124.348   16.297  105.069   14.013  307.464   20.581  282.801   19.244 24.66232 28.17639 
1 1 1    8   18    9 o  567.943   11.069  419.190   16.284  416.868   23.542  421.319   22.548  565.302   16.078  568.500   15.312 -3.198608 22.20220 
1 1 1    8   18   10 o  206.719   20.547   56.563   10.856   80.430   21.318   48.207   12.615  242.677   34.919  189.274   26.453 53.40321 43.80758 
1 1 1    8   18   11 o  172.580   33.388   41.149   14.386   30.220   20.867   51.050   19.860  148.240   47.781  190.148   41.489 -41.90839 63.27993 
1 1 1    8   18   12 f  424.836   14.464  235.404   15.917  235.861   19.534  234.500   27.458  424.493   17.765  420.273   25.341 4.219910 30.94739 
1 1 1    8   18   13 o  191.734   19.350   48.733   9.4789   35.057   15.028   57.769   12.215  157.578   37.381  207.983   23.062 -50.40433 43.92314 
1 1 1    8   18   14 o  232.532   16.636   71.157   9.9541   65.910   14.911   75.375   13.369  221.028   26.577  238.005   21.932 -16.97713 34.45832 
1 1 1    8   18   15 o  232.320   16.815   71.134   10.051   75.241   15.243   67.975   13.368  236.473   25.276  225.303   23.240 11.16983 34.33670 
1 1 1    8   18   16 o  161.492   22.777   35.270   9.2631   28.211   14.225   40.467   12.206  140.176   38.155  171.321   28.506 -31.14497 47.62749 
1 1 1    8   18   17 o  473.041   11.853  292.089   14.524  264.454   21.212  316.478   19.928  447.706   18.291  490.967   15.669 -43.26114 24.08523 
1 1 1    8   18   18 o  123.304   31.713   21.691   10.186  -5.1690   19.587   31.647   11.926   89.811   40.356  149.180   31.832 -59.36954 51.39875 
1 1 1    8   18   19 o   85.928   33.496   7.2641   10.752  -0.7108   18.752   11.170   13.124   92.237   40.569   98.658   37.376 -6.421654 55.16140 
1 1 1    8   18   20 o   83.315   28.800   8.9242   7.5616 -13.2600   19.348   12.924   8.2150   80.677   37.643   96.259   29.848 -15.58124 48.04093 
1 1 1    8   18   21 o  260.901   14.027   89.864   9.4451   83.380   21.736   91.373   10.487  239.075   36.235  262.547   15.489 -23.47234 39.40666 
1 1 1    8   18   22 o   59.473   25.243   0.8295   6.7640 -42.1600   17.981   7.9159   7.3003   58.610   29.239   79.417   28.233 -20.80674 40.64484 
1 1 1    8   18   23 o  103.508   27.085   15.416   7.3461   28.970   18.311   12.816   8.0198  135.553   44.827   94.955   29.499 40.59845 53.66252 
1 1 1    8   18   24 o   89.270   28.140   11.266   7.2685   0.2544   18.306   13.326   7.9195   89.459   39.679   96.161   29.215 -6.702370 49.27434 
1 1 1    8   18   25 o  155.361   19.907   33.192   7.8268   11.350   19.762   37.255   8.5238  104.593   43.693  164.465   20.450 -59.87252 48.24175 
1 1 1    8   18   26 o   82.951   32.094   8.0715   9.8137   0.0000   0.0000   8.0715   9.8137  ?   ?    82.951   32.094 0.000000 32.09424 
1 1 1    8   18   27 o  201.331   16.716   55.007   8.6387   45.780   19.614   57.228   9.6223  161.487   45.138  204.431   18.367 -42.94370 48.73178 
1 1 1    8   18   28 o  162.520   24.540   38.175   10.009   46.580   19.226   35.050   11.723  161.474   44.525  151.114   30.989 10.36044 54.24775 
1 1 1    8   18   29 o   97.476   28.077   14.522   7.4748   37.070   18.451   10.094   8.1758  140.939   44.879   83.872   29.871 57.06775 53.91111 
1 1 1    8   18   30 o  102.088   25.406   15.733   6.6914   10.070   17.844   16.660   7.2181   93.855   40.441  104.471   26.602 -10.61646 48.40585 
1 1 1    8   18   31 o   82.442   28.316   10.160   7.3039  -1.1090   17.285   12.609   8.0587   79.545   36.573   90.014   29.737 -10.46957 47.13667 
1 1 1    8   18   32 o   72.235   31.051   3.8558   10.471   20.940   16.184  -8.4460   13.733  106.782   41.243   64.728   30.667 42.05310 51.39504 
1 1 1    8   18   33 o   99.865   28.400   16.087   7.6955   21.680   17.792   14.799   8.5352  105.653   42.474   94.810   30.559 10.84258 52.32500 
1 1 1    8   18   34 o  158.517   20.396   36.648   8.1806   6.9500   18.253   44.112   9.1510   84.955   38.491  173.737   20.744 -88.78223 43.72512 
1 1 1    8   18   35 f   60.747   26.306   2.2607   7.6271   7.6020   17.109   0.9360   8.5206   82.662   37.376   60.675   26.984 21.98785 46.09833 
1 1 1    8   18   36 o  100.788   29.745   17.841   8.2990   40.310   20.097   13.222   9.1122  122.671   46.305   86.338   31.434 36.33331 55.96635 
1 1 1    8   18   37 o   56.165   26.668  -5.3820   10.496   0.0000   0.0000  -5.3820   10.496  ?   ?    56.165   26.668 0.000000 26.66839 
1 1 1    8   18   38 o   60.983   26.904   2.6658   8.3069 -12.0500   18.171   6.5535   9.3399   64.350   31.600   69.527   29.591 -5.177444 43.29198 
1 1 1    8   18   39 o   64.491   28.426   4.2459   9.2523   0.0000   0.0000   4.2459   9.2523  ?   ?    64.491   28.426 0.000000 28.42596 
1 1 1    8   18   40 o   49.715   24.412 -11.6491   10.841   0.0000   0.0000 -11.6491   10.841  ?   ?    49.715   24.412 0.000000 24.41244 
1 1 1    8   18   41 o   60.866   27.503   3.4364   9.2472   6.2570   17.446   2.3344   10.905   70.512   33.731   61.645   28.593 8.867649 44.21917 
1 1 1    8   19    0 o  392.555   18.412  201.380   18.722  202.400   27.506  200.500   25.555  390.550   27.362  389.322   25.482 1.228119 37.38963 
1 1 1    8   19    1 o  303.896   21.274  121.622   16.641  114.300   24.191  128.200   22.928  291.313   32.618  309.935   28.892 -18.62213 43.57399 
1 1 1    8   19    2 o  165.569   26.595   37.032   11.020   41.330   22.723   35.711   12.600  170.809   48.881  161.371   31.274 9.437424 58.02957 
1 1 1    8   19    3 o  543.400   13.166  384.246   18.531  437.700   35.731  364.577   21.674  576.852   23.913  528.756   15.825 48.09601 28.67482 
1 1 1    8   19    4 o  367.530   14.553  175.978   13.855  185.600   26.024  172.172   16.367  373.850   27.057  363.078   17.403 10.77209 32.17036 
1 1 1    8   19    5 o  517.995   13.165  349.230   17.664  391.700   34.479  334.117   20.568  545.329   24.409  506.140   15.688 39.18881 29.01556 
1 1 1    8   19    6 o  118.594   39.745   18.209   14.383   35.410   21.858   5.0730   19.101  158.876   48.593  103.881   43.138 54.99516 64.97794 
1 1 1    8   19    7 o  464.451   17.644  282.042   21.226  256.800   30.258  306.500   29.785  439.767   26.689  482.298   23.841 -42.53085 35.78686 
1 1 1    8   19    8 f  379.216   18.856  188.369   18.522  194.500   27.243  183.100   25.257  381.922   27.727  370.985   26.456 10.93646 38.32378 
1 1 1    8   19    9 o  156.144   29.351   33.468   11.435   27.490   14.078   45.060   19.605  139.947   37.901  177.727   43.043 -37.77951 57.35167 
1 1 1    8   19   10 o  152.949   25.204   31.743   9.6377   46.247   14.311   19.708   13.037  183.493   31.229  120.322   37.650 63.17048 48.91552 
1 1 1    8   19   11 o  357.169   12.951  166.286   11.982  163.079   17.504  169.113   16.436  351.838   19.279  359.205   17.665 -7.367096 26.14854 
1 1 1    8   19   12 o  202.127   18.768   54.126   9.7143   44.264   14.509   62.138   13.078  178.529   32.576  215.291   23.852 -36.76227 40.37451 
1 1 1    8   19   13 o   67.894   28.567   1.2045   8.5421  -1.9956   12.883   3.7153   11.411   76.864   33.721   81.718   33.581 -4.854164 47.58934 
1 1 1    8   19   14 o  233.895   16.864   72.216   10.149   42.198   14.732   99.328   14.001  172.953   34.097  273.561   19.895 -100.6077 39.47652 
1 1 1    8   19   15 o  238.494   16.691   75.152   10.246   76.478   15.097   74.020   13.952  237.798   24.878  234.523   23.274 3.274826 34.06754 
1 1 1    8   19   16 o  150.280   28.846   31.633   10.820   27.450   20.048   33.353   12.853  138.005   46.921  152.705   33.423 -14.69940 57.60733 
1 1 1    8   19   17 o   65.273   29.988  -7.0417   11.592  -2.7750   18.862  -9.6310   14.694   90.256   40.143   72.128   33.361 18.12819 52.19628 
1 1 1    8   19   18 o   98.643   33.175   13.195   10.022   0.1961   19.248   18.029   11.738   93.909   41.207  112.483   35.793 -18.57452 54.58198 
1 1 1    8   19   19 o  245.715   15.099   79.947   9.5634   60.510   22.020   84.466   10.617  198.002   44.068  252.120   16.345 -54.11795 47.00144 
1 1 1    8   19   20 f  114.585   26.223   18.690   7.6151   24.420   18.545   17.528   8.3517  127.980   45.052  110.273   28.892 17.70777 53.51991 
1 1 1    8   19   21 o  190.896   17.087   48.875   8.3596   25.640   19.555   54.070   9.2472  129.681   46.197  200.489   17.998 -70.80826 49.57877 
1 1 1    8   19   22 o  187.908   17.269   47.511   8.3112   66.010   18.792   43.012   9.2669  210.312   35.776  177.342   20.554 32.97061 41.26027 
1 1 1    8   19   23 o   70.781   27.286   5.2695   7.0730 -13.6000   17.435   8.9866   7.7383   73.747   34.824   82.539   29.097 -8.792137 45.38002 
1 1 1    8   19   24 o   67.306   26.719   4.1749   6.9515   1.7200   17.655   4.6253   7.5624   88.669   39.165   70.131   27.860 18.53780 48.06335 
1 1 1    8   19   25 o   70.450   29.300   3.3861   8.8316   0.0000   0.0000   3.3861   8.8316  ?   ?    70.450   29.300 0.000000 29.30031 
1 1 1    8   19   26 o   77.851   30.071   7.1896   8.6044   0.7506   18.275   9.0233   9.7529   86.669   38.959   84.126   32.136 2.543221 50.50273 
1 1 1    8   19   27 o   67.083   26.628   4.5614   6.9034   5.0500   18.119   4.4784   7.4666   90.045   39.730   68.324   27.498 21.72159 48.31781 
1 1 1    8   19   28 o  180.517   17.349   44.917   8.0123   53.680   19.951   43.232   8.7489  171.019   44.581  175.666   19.559 -4.646912 48.68295 
1 1 1    8   19   29 o   85.139   28.601   10.931   7.4482   31.340   18.876   7.1668   8.1059  126.449   45.351   75.312   29.160 51.13744 53.91655 
1 1 1    8   19   30 o   37.281   18.784 -23.8244   8.3696  -7.1760   17.168 -29.0147   9.5859   73.516   34.666   38.804   19.618 34.71188 39.83233 
1 1 1    8   19   31 o  141.470   30.264   32.165   10.755   27.360   17.374   35.150   13.694  117.006   43.274  140.902   37.034 -23.89627 56.95768 
1 1 1    8   19   32 o   75.390   27.391   8.3367   6.9137   26.940   15.964   4.0423   7.6703  115.648   41.682   65.686   27.312 49.96183 49.83319 
1 1 1    8   19   33 o   77.817   28.122   9.3275   7.2735   14.220   17.323   8.2804   8.0142   92.374   39.825   75.533   29.065 16.84108 49.30278 
1 1 1    8   19   34 o   62.130   26.595   3.0217   7.6236   8.2310   17.884   1.8649   8.4277   83.660   37.981   61.903   27.213 21.75696 46.72375 
1 1 1    8   19   35 o   55.658   25.094  -0.2311   7.6493   20.660   16.862  -5.6440   8.5833   96.338   40.312   51.117   24.226 45.22110 47.03150 
1 1 1    8   19   36 o   71.753   30.366   7.1243   9.7431   0.0000   0.0000   7.1243   9.7431  ?   ?    71.753   30.366 0.000000 30.36637 
1 1 1    8   19   37 o   47.940   22.874  -5.7900   7.9139   16.100   18.175 -10.9114   8.7910   85.753   38.670   45.703   22.347 40.04996 44.66277 
1 1 1    8   19   38 o   82.818   31.546   13.503   9.3809   0.0000   0.0000   13.503   9.3809  ?   ?    82.818   31.546 0.000000 31.54588 
1 1 1    8   19   39 o   70.926   29.900   8.5748   9.3870   0.0000   0.0000   8.5748   9.3870  ?   ?    70.926   29.900 0.000000 29.89974 
1 1 1    8   19   40 o   50.898   23.949  -2.2968   8.1131   7.2290   18.172  -4.6683   9.0669   71.484   34.257   50.569   24.224 20.91508 41.95609 
1 1 1    8   20    0 o  283.369   20.716  105.969   15.101   0.0000   0.0000  105.969   15.101  ?   ?   283.369   20.716 0.000000 20.71647 
1 1 1    8   20    1 o  268.094   15.896   94.168   10.990   86.445   16.198  100.754   14.959  254.684   24.871  276.174   21.070 -21.48997 32.59661 
1 1 1    8   20    2 o  175.914   21.414   41.248   9.5565   44.946   14.504   38.411   12.704  180.824   32.143  167.326   30.432 13.49767 44.26414 
1 1 1    8   20    3 o  117.625   30.122   19.147   9.2178   39.465   14.423   5.1175   11.985  168.550   34.204   86.497   34.830 82.05255 48.81609 
1 1 1    8   20    4 o  419.717   12.139  229.294   13.198  241.639   19.565  218.987   17.878  429.699   17.578  409.232   16.865 20.46713 24.36046 
1 1 1    8   20    5 o  210.036   18.365   58.229   9.8909   42.874   15.046   69.915   13.125  175.667   34.297  229.320   22.382 -53.65253 40.95379 
1 1 1    8   20    6 o  417.285   12.453  226.782   13.460  221.600   19.937  231.122   18.247  411.052   18.724  420.312   16.760 -9.260162 25.12934 
1 1 1    8   20    7 o  503.083   11.741  329.491   15.300  307.691   21.777  350.740   21.500  484.682   17.345  517.902   16.027 -33.21985 23.61614 
1 1 1    8   20    8 o  105.979   30.918   15.421   9.0124   31.416   14.207   4.6493   11.659  148.955   36.990   84.407   34.224 64.54826 50.39360 
1 1 1    8   20    9 o  329.928   13.419  142.040   11.468  148.679   17.034  136.537   15.509  335.563   19.684  321.831   18.685 13.73254 27.13958 
1 1 1    8   20   10 o  319.766   13.953  133.579   11.557  128.801   16.876  137.799   15.860  311.630   21.029  323.050   19.038 -11.41998 28.36655 
1 1 1    8   20   11 o  100.054   31.573   13.527   9.1482   33.079   13.895  -1.4319   12.154  152.382   35.809   75.316   32.904 77.06574 48.63112 
1 1 1    8   20   12 o  126.142   30.154   22.395   9.7190   21.634   14.753   22.978   12.919  124.496   40.181  127.077   37.001 -2.581787 54.62182 
1 1 1    8   20   13 o   87.897   33.066   8.4046   10.229   10.580   20.565   7.6894   11.791  111.445   45.355   89.761   35.053 21.68468 57.32201 
1 1 1    8   20   14 o  168.302   30.843   39.883   12.950   36.620   20.987   41.890   16.458  155.449   47.626  169.278   38.414 -13.82916 61.18720 
1 1 1    8   20   15 o   64.240   28.723  -3.1290   9.7933   6.9835   13.425 -14.6300   14.317   91.331   36.833   66.204   31.351 25.12731 48.36860 
1 1 1    8   20   16 o  121.071   29.037   20.930   8.9891   28.374   13.448   14.918   12.086  138.551   36.836  105.057   36.405 33.49358 51.79057 
1 1 1    8   20   17 o  337.225   14.022  149.673   12.249  140.616   18.277  157.058   16.503  322.462   22.013  342.885   18.651 -20.42316 28.85152 
1 1 1    8   20   18 o  298.207   14.622  117.375   11.295  107.832   17.487  124.205   14.795  280.343   24.323  304.349   18.860 -24.00565 30.77810 
1 1 1    8   20   19 o  126.722   24.382   22.607   7.7128  -7.2350   19.946   27.853   8.3634   86.140   39.487  141.281   23.692 -55.14169 46.04960 
1 1 1    8   20   20 o   89.001   29.316   10.983   7.8343   24.720   19.329   8.2823   8.5698  127.073   45.855   82.378   30.407 44.69483 55.02087 
1 1 1    8   20   21 o   65.661   26.584   3.2968   7.0235   26.740   18.949  -0.4367   7.5621  129.612   45.547   59.550   25.987 70.06282 52.43912 
1 1 1    8   20   22 o  230.943   15.185   71.285   9.0331   47.580   19.860   77.469   10.143  169.076   44.675  240.179   16.402 -71.10332 47.59088 
1 1 1    8   20   23 o   90.438   27.652   11.880   7.0788   0.0173   17.073   14.343   7.7790   85.075   37.990   98.511   28.720 -13.43605 47.62433 
1 1 1    8   20   24 o   71.483   30.533   2.3793   10.010   0.0000   0.0000   2.3793   10.010  ?   ?    71.483   30.533 0.000000 30.53324 
1 1 1    8   20   25 o   63.573   25.832   3.3684   6.6581 -14.4600   17.879   6.2390   7.1741   71.829   34.301   72.358   27.581 -0.5292358 44.01475 
1 1 1    8   20   26 o  139.102   23.149   27.972   8.0479   34.250   19.197   26.633   8.8645  134.689   45.913  133.547   26.560 1.142181 53.04167 
1 1 1    8   20   27 o  164.674   19.539   38.137   8.1718   44.910   19.746   36.737   8.9766  152.337   46.098  159.753   22.301 -7.416183 51.20916 
1 1 1    8   20   28 o   54.464   24.104  -0.4997   6.7192   0.9954   17.658  -0.7528   7.2658   82.235   37.491   55.958   24.900 26.27698 45.00637 
1 1 1    8   20   29 o   69.845   29.049   4.5681   8.6808 -24.1500   17.801   13.529   9.9433   62.965   30.991   91.924   32.921 -28.95831 45.21286 
1 1 1    8   20   30 o   88.018   30.445   12.356   8.4507   8.2190   17.289   13.655   9.6866   87.606   38.724   91.446   32.520 -3.839638 50.56778 
1 1 1    8   20   31 o   66.537   26.864   4.9973   7.1503   12.370   17.006   3.4140   7.8808   91.076   39.361   64.653   27.333 26.42342 47.92051 
1 1 1    8   20   32 o  122.785   24.032   23.232   7.3697   47.620   18.148   18.416   8.0647  149.253   43.967  105.223   28.765 44.02968 52.54112 
1 1 1    8   20   33 o   57.859   25.380   1.3343   7.2955   4.9560   16.626   0.4707   8.1189   78.757   36.084   58.599   26.180 20.15748 44.58099 
1 1 1    8   20   34 o  139.190   24.256   30.651   8.4275   11.010   18.639   35.698   9.4485   84.283   38.461  149.185   25.358 -64.90153 46.06785 
1 1 1    8   20   35 o   72.355   28.824   8.2475   8.1161   0.0000   0.0000   8.2475   8.1161  ?   ?    72.355   28.824 0.000000 28.82437 
1 1 1    8   20   36 o   98.606   32.322   19.337   9.5275   26.830   16.778   15.771   11.575   99.700   40.815   86.834   34.476 12.86604 53.42722 
1 1 1    8   20   37 o   87.369   30.506   14.970   8.4940   11.640   19.308   15.770   9.4584   79.121   37.138   87.829   32.018 -8.708076 49.03465 
1 1 1    8   20   38 o   99.836   32.905   21.372   9.8693   0.0000   0.0000   21.372   9.8693  ?   ?    99.836   32.905 0.000000 32.90483 
1 1 1    8   20   39 o   71.103   29.310   9.5967   8.7271   5.7060   18.870   10.655   9.8430   70.443   34.047   73.041   30.695 -2.597816 45.84087 
1 1 1    8   20   40 o   51.293   24.890  -5.6856   10.345 -41.3000   18.313   11.004   12.537   48.627   24.827   71.097   32.084 -22.46972 40.56791 
1 1 1    8   21    0 o  131.249   29.017   23.902   9.6028   18.913   14.214   28.090   13.024  119.083   39.501  141.088   35.630 -22.00451 53.19618 
1 1 1    8   21    1 o  214.128   18.972   60.689   10.414   52.292   15.472   67.644   14.081  194.833   31.751  224.588   24.608 -29.75439 40.17057 
1 1 1    8   21    2 o  352.714   13.338  162.287   12.186  175.951   17.792  150.213   16.725  365.494   18.857  337.525   19.209 27.96957 26.91795 
1 1 1    8   21    3 o  265.853   15.912   92.813   10.907   94.855   16.610   91.265   14.463  266.366   24.342  262.145   21.488 4.220245 32.46969 
1 1 1    8   21    4 o  317.856   13.941  131.926   11.478  116.119   16.948  145.319   15.601  295.555   22.301  332.175   18.200 -36.62006 28.78553 
1 1 1    8   21    5 o  152.640   26.093   31.858   9.9460   31.138   15.295   32.385   13.092  147.538   39.312  151.576   34.163 -4.038696 52.08193 
1 1 1    8   21    6 o  262.561   15.841   90.614   10.723   82.119   16.102   97.384   14.375  246.993   25.537  270.874   20.643 -23.88052 32.83660 
1 1 1    8   21    7 o  405.115   12.637  214.162   13.261  215.877   19.706  212.743   17.927  404.901   18.788  402.488   17.195 2.412598 25.46935 
1 1 1    8   21    8 o  244.014   16.995   78.589   10.675   70.338   15.775   85.559   14.499  227.401   27.329  252.975   22.356 -25.57472 35.30819 
1 1 1    8   21    9 o  217.529   18.088   62.755   10.099   84.474   15.980   48.311   13.032  250.152   24.997  187.612   27.644 62.53943 37.26996 
1 1 1    8   21   10 o   89.456   33.276   8.9988   10.303  -4.6960   19.382   14.392   12.164   90.257   40.378  105.147   36.517 -14.88977 54.44201 
1 1 1    8   21   11 o  224.965   23.931   68.526   13.731   67.700   21.028   69.140   18.130  216.289   38.966  222.098   32.473 -5.809219 50.72334 
1 1 1    8   21   12 o  532.850   16.340  374.270   22.554  347.000   32.917  398.400   30.964  507.116   25.059  545.978   21.894 -38.86176 33.27641 
1 1 1    8   21   13 o  250.490   19.214   83.873   12.372   93.881   16.725   71.780   18.386  262.411   24.904  225.260   32.445 37.15099 40.90149 
1 1 1    8   21   14 o   84.876   31.751   8.2391   9.4058  -8.8100   14.507   20.605   12.355   72.013   33.252  119.003   36.556 -46.98988 49.41654 
1 1 1    8   21   15 o  260.366   16.655   90.195   11.174   84.931   16.568   94.586   15.134  247.853   26.203  263.906   22.348 -16.05327 34.43912 
1 1 1    8   21   16 o  200.028   19.884   54.153   10.166   72.121   15.242   39.756   13.644  227.669   26.332  164.888   33.095 62.78134 42.29258 
1 1 1    8   21   17 o   68.841   29.186   1.6417   9.0262   4.0795   14.088  -0.0560   11.756   86.271   36.513   74.144   32.378 12.12767 48.80053 
1 1 1    8   21   18 o  203.973   19.471   56.452   10.163   47.723   15.925   62.450   13.200  178.244   35.737  211.928   24.497 -33.68436 43.32677 
1 1 1    8   21   19 o  364.063   12.879  174.836   12.145  175.921   18.068  173.942   16.404  360.595   19.415  360.322   17.575 0.2733154 26.18818 
1 1 1    8   21   20 o  238.752   15.520   76.254   9.5459   72.680   21.952   77.087   10.601  214.324   41.035  239.185   17.225 -24.86073 44.50418 
1 1 1    8   21   21 o  235.951   14.804   74.428   9.0019   63.230   20.662   77.052   10.001  197.582   41.683  239.343   16.227 -41.76106 44.72977 
1 1 1    8   21   22 o   68.080   27.605   3.9305   7.5856   7.4540   20.851   3.3930   8.1437   98.989   43.176   68.444   28.274 30.54499 51.60986 
1 1 1    8   21   23 o   77.250   30.113   6.8968   8.6893   0.0000   0.0000   6.8968   8.6893  ?   ?    77.250   30.113 0.000000 30.11260 
1 1 1    8   21   24 o   69.173   27.432   4.9913   7.3206   25.770   17.816   0.7705   8.0297  120.634   43.948   62.085   26.939 58.54897 51.54751 
1 1 1    8   21   25 o  131.110   22.949   24.979   7.5100   21.300   18.810   25.676   8.1911  111.095   44.000  131.742   24.916 -20.64668 50.56461 
1 1 1    8   21   26 o  124.696   24.925   23.258   7.7693   12.170   18.497   25.634   8.5612   96.410   41.351  130.107   26.307 -33.69674 49.01022 
1 1 1    8   21   27 o  210.855   16.218   61.236   8.7897   25.670   19.407   70.415   9.8589  114.201   44.863  225.523   17.002 -111.3220 47.97615 
1 1 1    8   21   28 o   77.375   31.957   6.9738   10.401   2.7910   16.817   9.5650   13.236   81.310   36.882   85.580   35.755 -4.270172 51.36845 
1 1 1    8   21   29 o   58.061   25.987  -0.5304   8.0386  -0.3697   16.394  -0.5813   9.2236   76.536   35.343   61.420   27.637 15.11658 44.86580 
1 1 1    8   21   30 o   49.505   22.921  -3.4397   6.9626 -27.2400   16.701   1.5670   7.6600   57.635   28.659   60.198   26.216 -2.562584 38.84078 
1 1 1    8   21   31 o  121.300   25.945   23.403   7.9054   34.030   18.823   21.127   8.7109  119.601   44.882  111.729   29.619 7.871666 53.77399 
1 1 1    8   21   32 o  103.049   28.151   17.987   7.7273   16.250   18.523   18.353   8.5025   91.431   40.264  102.286   30.085 -10.85524 50.26242 
1 1 1    8   21   33 o   45.459   21.409  -4.3129   6.5104   31.860   17.931  -9.8056   6.9872  110.610   43.218   40.992   20.017 69.61755 47.62869 
1 1 1    8   21   34 o   58.500   26.184   1.3473   8.1613   0.0000   0.0000   1.3473   8.1613  ?   ?    58.500   26.184 0.000000 26.18410 
1 1 1    8   21   35 o   72.752   30.152   8.7765   9.3058  -9.4140   18.406   15.023   10.786   64.988   31.891   85.281   33.463 -20.29311 46.22604 
1 1 1    8   21   36 o   49.793   23.594  -4.0560   8.1320 -27.9200   19.033   1.2736   8.9944   56.474   28.438   58.755   26.775 -2.281017 39.05898 
1 1 1    8   21   37 o   71.012   29.384   9.0498   8.8178   0.0000   0.0000   9.0498   8.8178  ?   ?    71.012   29.384 0.000000 29.38430 
1 1 1    8   21   38 o   40.780   20.289 -13.9881   8.4200 -34.9400   18.956  -8.8382   9.3980   52.183   26.510   47.315   23.128 4.868290 35.18115 
1 1 1    8   21   39 o   55.683   26.058   0.6185   9.3839   9.8670   17.768  -2.9591   11.051   69.963   33.619   54.716   26.348 15.24662 42.71360 
1 1 1    8   22    0 o  339.531   27.252  155.800   23.766  155.800   23.766   0.0000   0.0000  339.531   27.252  ?   ?  0.000000 27.25165 
1 1 1    8   22    1 o  201.725   22.391   54.657   11.503   41.560   20.532   60.648   13.886  167.385   45.954  211.400   25.901 -44.01469 52.75086 
1 1 1    8   22    2 o  431.326   14.083  243.419   15.734  238.700   27.025  245.839   19.352  421.978   24.834  432.359   17.280 -10.38034 30.25374 
1 1 1    8   22    3 o  252.764   18.822   84.727   12.235  102.400   22.543   77.347   14.567  272.050   32.642  239.770   23.768 32.27946 40.37824 
1 1 1    8   22    4 o  255.090   18.143   86.180   11.910   81.120   20.914   88.609   14.489  240.686   34.535  257.382   21.942 -16.69621 40.91586 
1 1 1    8   22    5 o  331.715   18.847  145.778   16.128  113.100   22.835  178.300   22.780  286.362   31.295  364.356   24.276 -77.99396 39.60651 
1 1 1    8   22    6 o   89.272   35.197   7.2542   11.986   17.120   19.715   1.4690   15.097  120.009   45.727   87.200   37.378 32.80933 59.05992 
1 1 1    8   22    7 o  356.070   18.077  167.893   16.618  120.600   23.626  214.200   23.378  295.021   31.399  399.858   22.665 -104.8372 38.72416 
1 1 1    8   22    8 o  152.230   33.562   33.267   12.878   36.060   20.096   31.320   16.775  154.270   46.465  145.166   42.133 9.104507 62.72264 
1 1 1    8   22    9 o  444.699   14.330  259.737   16.507  265.366   21.365  251.400   26.000  447.461   18.433  432.025   23.320 15.43564 29.72548 
1 1 1    8   22   10 o  365.603   13.392  175.383   12.683  147.746   18.522  199.783   17.403  331.473   21.691  388.537   17.292 -57.06412 27.74047 
1 1 1    8   22   11 o  207.198   18.736   57.551   9.9471   42.039   15.036   69.621   13.264  169.539   35.383  226.225   22.954 -56.68597 42.17605 
1 1 1    8   22   12 o  198.886   20.516   53.527   10.417   56.468   15.140   50.882   14.356  199.604   30.228  189.260   30.307 10.34372 42.80503 
1 1 1    8   22   13 o  218.713   18.670   64.298   10.476   84.225   15.649   48.118   14.102  247.302   24.762  183.261   30.799 64.04178 39.51907 
1 1 1    8   22   14 o  224.670   18.833   68.009   10.859   63.286   16.419   71.681   14.478  209.917   31.141  227.461   24.984 -17.54407 39.92439 
1 1 1    8   22   15 f  376.990   13.508  187.479   13.191  175.327   19.570  197.596   17.857  359.345   21.118  384.370   17.935 -25.02515 27.70597 
1 1 1    8   22   16 o   86.881   31.735   9.6186   9.2985   15.605   14.595   5.5287   12.064  106.653   39.620   83.629   34.466 23.02354 52.51286 
1 1 1    8   22   17 o  233.551   17.018   73.326   10.224   77.376   15.194   69.975   13.822  234.876   25.377  224.029   24.203 10.84703 35.06801 
1 1 1    8   22   18 o  213.876   18.666   62.166   10.238   40.788   15.636   78.206   13.544  161.221   38.054  237.803   22.247 -76.58186 44.07985 
1 1 1    8   22   19 o  198.217   19.137   53.746   9.7036   39.184   15.415   63.303   12.488  156.902   38.271  212.827   23.020 -55.92528 44.66052 
1 1 1    8   22   20 o   84.426   32.257   8.8696   9.8278  -2.9670   19.011   13.186   11.481   85.094   38.835   96.338   35.252 -11.24480 52.44854 
1 1 1    8   22   21 o  139.692   24.608   28.220   8.5790   0.0000   0.0000   28.220   8.5790  ?   ?   139.692   24.608 0.000000 24.60809 
1 1 1    8   22   22 o   56.473   26.243  -5.6549   9.2523 -17.1300   21.633  -3.0860   10.236   77.167   37.085   63.002   28.653 14.16490 46.86443 
1 1 1    8   22   23 o  115.031   25.629   19.801   7.4411   26.920   20.398   18.708   7.9919  120.200   46.336  110.469   27.917 9.730659 54.09640 
1 1 1    8   22   24 o   59.132   25.423   1.2538   7.0216 -16.1400   18.829   4.0635   7.5675   70.812   34.173   66.815   27.389 3.996559 43.79416 
1 1 1    8   22   25 o   65.632   26.252   4.5678   6.7594   5.9610   17.337   4.3180   7.3402   86.670   38.520   66.426   27.072 20.24361 47.08188 
1 1 1    8   22   26 o   64.508   26.325   4.0692   6.9523   5.8670   16.585   3.6860   7.6576   84.563   37.625   65.383   27.246 19.17969 46.45429 
1 1 1    8   22   27 o  103.010   34.504   18.541   10.840   16.940   16.646   19.720   14.283   98.357   40.505  103.343   39.030 -4.986046 56.24920 
1 1 1    8   22   28 o  106.049   25.671   17.668   6.9761   5.3720   17.491   19.994   7.6073   83.058   37.651  112.327   26.563 -29.26855 46.07800 
1 1 1    8   22   29 o   61.852   25.620   3.6796   6.7130   8.4100   17.004   2.8062   7.3065   84.597   37.835   61.410   26.155 23.18698 45.99517 
1 1 1    8   22   30 o   71.598   27.604   7.4347   7.2394   1.5610   16.170   8.9071   8.0960   75.140   34.840   76.150   29.234 -1.009842 45.48067 
1 1 1    8   22   31 o   71.358   28.051   7.5232   7.5922 -11.2100   17.126   12.105   8.4699   65.268   31.753   83.493   30.320 -18.22443 43.90405 
1 1 1    8   22   32 o   71.931   27.994   8.1564   7.5000  -6.1120   17.552   11.343   8.2954   67.920   32.830   80.300   29.861 -12.37978 44.37917 
1 1 1    8   22   33 o   63.495   26.573   5.0522   7.3286  -1.2120   19.073   6.1372   7.9379   71.370   34.430   66.680   27.759 4.689804 44.22661 
1 1 1    8   22   34 o   73.717   31.219   9.3750   10.309   0.0000   0.0000   9.3750   10.309  ?   ?    73.717   31.219 0.000000 31.21918 
1 1 1    8   22   35 o   52.966   24.420  -0.6574   7.7791 -31.4400   17.455   6.9717   8.6898   52.442   26.508   67.309   28.592 -14.86698 38.98925 
1 1 1    8   22   36 o   71.550   29.466   9.5733   8.8098   0.0000   0.0000   9.5733   8.8098  ?   ?    71.550   29.466 0.000000 29.46607 
1 1 1    8   22   37 o   44.111   21.544  -8.3068   8.1029   15.250   19.350 -13.3160   8.9230   75.749   36.038   42.511   21.106 33.23811 41.76359 
1 1 1    8   22   38 o   54.442   25.710  -0.3787   9.5064  -7.9850   16.263   3.5692   11.717   57.699   28.621   61.425   28.864 -3.726154 40.64816 
1 1 1    8   23    0 o  140.034   31.761   28.041   11.256   17.300   20.272   32.827   13.533  119.964   46.208  150.392   35.339 -30.42770 58.17230 
1 1 1    8   23    1 o  367.687   14.141  177.434   13.468  168.955   19.975  184.502   18.238  354.972   21.830  372.540   18.962 -17.56778 28.91531 
1 1 1    8   23    2 o  104.470   32.676   15.235   9.8215   25.143   15.201   8.1352   12.868  131.093   40.595   92.345   36.450 38.74809 54.55740 
1 1 1    8   23    3 o  320.676   14.745  135.180   12.248  146.669   18.387  126.015   16.422  330.613   21.588  306.747   20.790 23.86581 29.97157 
1 1 1    8   23    4 o  106.208   31.926   15.948   9.4941   20.211   15.294   13.275   12.110  119.938   40.980  101.584   36.337 18.35336 54.76954 
1 1 1    8   23    5 o  197.907   20.129   52.715   10.175   51.956   15.431   53.299   13.535  191.066   32.331  195.975   27.413 -4.908951 42.38862 
1 1 1    8   23    6 f  141.926   28.253   28.489   10.022   27.592   15.275   29.166   13.279  135.854   40.419  140.625   36.231 -4.771149 54.28002 
1 1 1    8   23    7 o  235.965   17.637   74.265   10.702   77.967   16.507   71.581   14.057  237.143   27.375  228.820   24.077 8.323425 36.45665 
1 1 1    8   23    8 o  197.177   20.130   52.528   10.137   48.720   15.710   55.245   13.269  182.912   34.422  199.452   26.326 -16.54025 43.33515 
1 1 1    8   23    9 f  177.337   22.108   43.026   9.9348   50.927   15.168   37.091   13.147  187.944   32.323  159.520   32.910 28.42484 46.12821 
1 1 1    8   23   10 o  126.636   28.849   23.125   9.2519   30.338   13.778   17.201   12.486  141.724   37.097  109.656   37.030 32.06842 52.41547 
1 1 1    8   23   11 o   79.336   31.078   6.3209   9.2900   4.6341   14.190   7.5863   12.290   87.373   36.794   88.419   35.387 -1.045425 51.04945 
1 1 1    8   23   12 o   64.550   28.439  -1.1279   9.2503   2.2875   14.302  -3.5840   12.128   83.829   36.163   70.117   31.607 13.71144 48.02900 
1 1 1    8   23   13 o  421.671   13.067  234.534   14.273  243.056   21.288  227.575   19.238  424.699   19.351  412.012   18.026 12.68683 26.44556 
1 1 1    8   23   14 o  101.127   32.182   14.927   9.4890   21.398   15.267   10.854   12.113  118.365   40.923   93.668   35.806 24.69747 54.37605 
1 1 1    8   23   15 o  150.354   25.812   32.282   9.6907   35.361   14.877   30.012   12.772  149.951   38.196  139.648   35.292 10.30322 52.00471 
1 1 1    8   23   16 o   80.770   30.995   7.5966   9.0983   25.834   14.727  -3.6606   11.570  126.927   40.061   67.511   30.611 59.41653 50.41733 
1 1 1    8   23   17 o  211.786   18.815   61.277   10.214   65.625   16.073   58.332   13.229  211.061   30.266  202.088   25.865 8.972839 39.81246 
1 1 1    8   23   18 o  169.184   21.786   40.122   9.3256   41.639   13.703   38.814   12.727  164.636   33.277  159.859   31.855 4.777176 46.06635 
1 1 1    8   23   19 o  157.030   26.392   36.052   10.354   22.260   20.844   40.571   11.930  116.729   46.290  164.922   28.985 -48.19279 54.61582 
1 1 1    8   23   20 o   78.406   32.773   5.3171   11.128   15.220   14.523  -8.7630   17.318  100.965   39.049   74.811   35.133 26.15335 52.52795 
1 1 1    8   23   21 o  171.649   23.888   42.715   10.333   34.730   20.993   45.268   11.871  132.760   47.804  174.163   27.202 -41.40236 55.00214 
1 1 1    8   23   22 o   58.530   25.803  -0.1129   7.6276 -11.4400   19.859   1.8473   8.2613   75.996   36.253   64.103   27.569 11.89239 45.54439 
1 1 1    8   23   23 o  105.858   27.424   17.478   7.5803   8.8740   20.454   18.848   8.1615   93.299   41.628  109.294   28.525 -15.99557 50.46330 
1 1 1    8   23   24 o   76.143   28.326   8.2000   7.4656   28.780   18.219   4.0474   8.1842  118.741   44.235   67.416   28.136 51.32539 52.42535 
1 1 1    8   23   25 o   71.982   29.627   5.7623   8.9003   8.3750   17.141   4.7979   10.414   87.118   38.530   72.935   31.148 14.18345 49.54579 
1 1 1    8   23   26 o   74.898   31.674   6.0843   10.587   15.510   17.532   0.6738   13.283   95.250   40.540   71.820   32.655 23.42974 52.05590 
1 1 1    8   23   27 o   62.210   25.942   3.5471   6.9494  -0.4469   17.404   4.3047   7.5799   76.394   35.664   65.351   27.159 11.04347 44.82808 
1 1 1    8   23   28 o   83.403   26.974   11.317   6.6460   23.070   18.403   9.5548   7.1269  102.228   42.388   77.700   27.867 24.52876 50.72756 
1 1 1    8   23   29 o   77.655   28.117   9.7890   7.2763   4.6380   18.182   10.771   7.9398   79.248   36.814   80.438   29.333 -1.189774 47.07105 
1 1 1    8   23   30 o   62.320   26.299   4.0302   7.2740   9.0620   18.448   3.1038   7.9153   81.653   37.631   61.789   26.778 19.86362 46.18624 
1 1 1    8   23   31 o   91.992   29.231   15.438   7.8306 -13.6000   18.811   21.525   8.6123   64.410   31.732  108.843   29.714 -44.43340 43.47190 
1 1 1    8   23   32 o   68.350   27.521   7.3057   7.4826   3.2180   19.012   8.0550   8.1396   73.379   35.131   70.511   28.594 2.868111 45.29689 
1 1 1    8   23   33 o   43.689   21.309  -9.0382   7.8508   0.0000   0.0000  -9.0382   7.8508  ?   ?    43.689   21.309 0.000000 21.30859 
1 1 1    8   23   34 o   42.410   20.757  -9.3222   7.6404 -19.8200   17.835  -6.9626   8.4556   56.994   28.536   47.048   22.752 9.945610 36.49563 
1 1 1    8   23   35 o   53.546   25.030  -0.9304   8.6159   0.0000   0.0000  -0.9304   8.6159  ?   ?    53.546   25.030 0.000000 25.02952 
1 1 1    8   23   36 o   50.140   23.505  -1.4211   7.6930  -7.5220   18.610  -0.1636   8.4487   61.099   30.360   53.406   24.904 7.692841 39.26746 
1 1 1    8   23   37 o   45.973   22.557  -8.3591   9.1972 -15.6100   17.387  -5.5418   10.838   54.903   27.584   51.518   25.107 3.384838 37.29974 
1 1 1    8   23   38 o   83.195   35.098   23.370   12.950   13.910   20.068   30.120   16.953   67.962   33.341   83.116   37.427 -15.15450 50.12347 
1 1 1    8   24    0 o  121.432   34.533   21.728   11.378   5.5210   19.546   30.034   13.993   99.905   42.670  141.274   37.583 -41.36923 56.86089 
1 1 1    8   24    1 o  288.447   15.835  110.421   11.786   95.658   17.497  122.681   15.946  263.066   26.019  301.660   20.529 -38.59393 33.14265 
1 1 1    8   24    2 o  343.737   14.476  155.855   12.889  160.611   19.229  151.975   17.369  344.504   21.659  336.119   20.040 8.385101 29.50781 
1 1 1    8   24    3 o  330.634   14.958  144.422   12.811  127.964   18.863  158.513   17.453  305.736   24.011  343.415   19.703 -37.67914 31.06038 
1 1 1    8   24    4 o  159.472   25.750   35.642   10.275   25.761   15.904   42.719   13.460  130.012   41.695  172.002   31.367 -41.99049 52.17620 
1 1 1    8   24    5 o  207.724   20.280   58.523   10.773   67.201   17.163   52.881   13.839  216.273   31.567  193.241   28.502 23.03227 42.53072 
1 1 1    8   24    6 o  113.736   32.308   19.021   9.9649   17.195   16.157   20.141   12.659  112.085   41.676  116.466   37.183 -4.381233 55.85210 
1 1 1    8   24    7 f   92.711   32.425   11.593   9.5978  -2.1777   15.430   20.283   12.258   80.824   36.102  116.548   36.513 -35.72363 51.34752 
1 1 1    8   24    8 o  182.871   21.687   45.965   10.073   50.589   15.034   42.199   13.568  185.839   32.410  169.604   32.059 16.23524 45.58712 
1 1 1    8   24    9 f  303.421   14.975  122.137   11.769  123.327   17.368  121.127   16.005  299.728   22.535  298.239   20.848 1.488647 30.70002 
1 1 1    8   24   10 o  260.267   16.523   90.764   11.082   80.263   16.469   99.453   14.980  238.044   27.197  269.334   21.655 -31.29077 34.76555 
1 1 1    8   24   11 o  197.088   20.307   53.213   10.218   45.961   15.382   58.942   13.671  173.883   35.355  203.795   26.527 -29.91202 44.19978 
1 1 1    8   24   12 o  262.928   15.662   92.521   10.618  100.465   16.435   86.830   13.911  268.448   23.885  251.078   21.600 17.37001 32.20354 
1 1 1    8   24   13 o  164.409   22.624   37.848   9.3797   43.120   13.919   33.463   12.695  169.106   32.961  147.898   33.867 21.20822 47.25838 
1 1 1    8   24   14 o  180.061   21.023   44.978   9.6209   51.372   15.657   41.099   12.195  183.399   34.217  167.088   29.241 16.31068 45.00953 
1 1 1    8   24   15 o   65.926   28.707   0.4830   9.1830 -11.1667   14.979   7.4972   11.623   68.429   32.302   84.605   34.218 -16.17530 47.05682 
1 1 1    8   24   16 o  121.749   28.847   22.329   8.9579   9.3799   13.792   31.778   11.781   90.993   37.100  143.412   32.469 -52.41901 49.30166 
1 1 1    8   24   17 o  131.030   30.885   26.471   10.311  -5.2690   19.944   38.051   12.046   83.320   38.654  158.150   30.511 -74.82959 49.24456 
1 1 1    8   24   18 o  114.828   39.312   22.237   14.074   36.190   19.550   7.2240   20.279  138.545   46.337   95.080   41.987 43.46523 62.53061 
1 1 1    8   24   19 o  144.796   30.966   32.829   11.263   42.847   13.928   13.900   19.145  163.139   34.059  100.653   42.580 62.48565 54.52607 
1 1 1    8   24   20 o   98.525   30.092   15.362   8.3857   31.499   12.826   3.3135   11.083  136.462   35.828   73.513   31.773 62.94980 47.88655 
1 1 1    8   24   21 o   80.853   31.667   8.8582   9.6444  -5.3650   19.149   13.692   11.164   78.290   36.824   92.866   34.620 -14.57616 50.54287 
1 1 1    8   24   22 o  140.081   23.199   29.122   8.1232   22.840   19.413   30.456   8.9438  108.232   44.059  141.673   25.300 -33.44074 50.80628 
1 1 1    8   24   23 o   53.172   24.429  -2.9459   7.6931   2.7520   18.164  -4.1914   8.4923   82.061   37.642   54.139   25.153 27.92229 45.27210 
1 1 1    8   24   24 o   51.864   25.110 -11.7071   10.374  -1.7890   16.750 -17.8800   13.214   74.955   34.991   55.043   27.013 19.91228 44.20493 
1 1 1    8   24   25 o   78.731   28.075   9.6964   7.2242   28.960   17.901   5.9486   7.8958  113.833   43.525   69.602   28.185 44.23061 51.85381 
1 1 1    8   24   26 o  116.919   26.289   21.962   7.7686   20.390   18.299   22.307   8.5802   98.671   41.679  115.552   28.776 -16.88123 50.64750 
1 1 1    8   24   27 o   47.068   22.131  -4.5287   6.9053 -12.7600   17.461  -3.0027   7.5182   65.454   31.892   51.326   23.783 14.12751 39.78388 
1 1 1    8   24   28 o   39.701   19.334  -8.8383   6.3942  -2.7590   16.799  -9.8684   6.9147   70.382   33.511   40.740   19.898 29.64291 38.97302 
1 1 1    8   24   29 o  139.335   23.519   30.830   8.1862   17.210   18.674   34.070   9.1079   88.324   39.565  144.654   25.225 -56.32972 46.92213 
1 1 1    8   24   30 o   55.104   24.812   0.6198   7.4493   20.360   18.011  -3.4536   8.1819   89.436   39.529   51.271   24.101 38.16477 46.29642 
1 1 1    8   24   31 o   61.399   26.276   4.4452   7.4383 -22.5500   18.091   9.9372   8.1600   57.338   28.712   74.162   29.104 -16.82418 40.88349 
1 1 1    8   24   32 o  100.643   33.144   22.045   10.014   0.0000   0.0000   22.045   10.014  ?   ?   100.643   33.144 0.000000 33.14415 
1 1 1    8   24   33 f   42.466   20.558  -6.6608   6.9491   4.5760   18.798  -8.4394   7.4789   69.770   33.785   42.427   20.716 27.34280 39.63044 
1 1 1    8   24   34 o   56.737   26.057   1.7067   8.7409   0.0000   0.0000   1.7067   8.7409  ?   ?    56.737   26.057 0.000000 26.05732 
1 1 1    8   24   35 o   53.569   24.630   1.1692   7.8390   1.4350   16.972   1.0972   8.8382   63.768   31.152   55.214   25.655 8.554085 40.35608 
1 1 1    8   24   36 o   77.676   31.778   15.780   10.162   8.4340   19.046   18.703   12.015   66.614   32.639   79.610   33.708 -12.99546 46.92046 
1 1 1    8   24   37 f   56.483   26.542   3.1185   9.9101 -23.8500   19.638   12.333   11.479   52.211   26.569   68.077   30.713 -15.86614 40.61032 
1 1 1    8   25    0 o  561.340   13.820  416.720   20.094  408.000   35.126  420.962   24.499  542.859   24.980  561.375   16.848 -18.51563 30.13031 
1 1 1    8   25    1 o  220.412   21.940   66.815   12.360   48.630   22.131   75.059   14.900  169.548   48.143  231.616   25.244 -62.06744 54.35992 
1 1 1    8   25    2 o  336.015   14.667  149.749   12.766  131.992   18.441  166.089   17.690  309.362   23.181  350.198   19.580 -40.83627 30.34415 
1 1 1    8   25    3 o  184.769   24.120   47.746   11.269   39.043   16.649   55.103   15.308  156.681   40.668  193.942   31.556 -37.26083 51.47510 
1 1 1    8   25    4 o  152.335   27.535   33.419   10.465   42.458   16.534   27.377   13.518  164.329   39.361  132.556   37.622 31.77254 54.44870 
1 1 1    8   25    5 o  227.370   18.924   70.184   11.044   72.707   17.388   68.479   14.299  223.375   30.878  220.553   25.499 2.821976 40.04549 
1 1 1    8   25    6 o  359.472   14.090  171.352   13.119  168.483   19.734  173.625   17.562  350.190   21.865  358.010   19.006 -7.819916 28.97066 
1 1 1    8   25    7 o  207.374   20.392   59.017   10.812   36.650   16.007   77.784   14.662  150.977   40.211  235.611   24.377 -84.63359 47.02310 
1 1 1    8   25    8 o   75.887   30.687   5.1792   9.3461 -11.9379   14.510   17.317   12.218   67.098   31.710  107.377   36.629 -40.27911 48.44805 
1 1 1    8   25    9 f  108.302   31.882   17.714   9.5452   8.1855   14.496   25.008   12.683   91.462   37.747  126.030   36.651 -34.56828 52.61320 
1 1 1    8   25   10 o   79.805   30.970   7.2686   9.1597   11.605   14.250   4.2150   11.957   96.620   38.287   79.805   33.700 16.81459 51.00558 
1 1 1    8   25   11 o   98.149   31.653   14.365   9.1563   19.452   14.551   11.030   11.781  111.684   39.844   92.016   35.280 19.66727 53.21809 
1 1 1    8   25   12 o  201.511   31.161   60.865   15.740   60.865   15.740   0.0000   0.0000  201.511   31.161  ?   ?  0.000000 31.16088 
1 1 1    8   25   13 o  153.126   25.718   34.085   9.8393   17.716   15.711   44.649   12.621  107.507   40.854  173.155   29.176 -65.64775 50.20267 
1 1 1    8   25   14 o  139.269   27.249   28.821   9.4779   24.351   15.286   31.613   12.080  119.894   40.970  141.607   33.464 -21.71210 52.89976 
1 1 1    8   25   15 o  210.405   21.250   62.276   11.423   54.500   20.382   65.836   13.792  173.897   44.928  212.792   25.532 -38.89514 51.67635 
1 1 1    8   25   16 o  116.033   38.388   22.941   13.428   20.840   19.925   24.690   18.175  111.130   44.853  117.260   44.083 -6.130745 62.88949 
1 1 1    8   25   17 o   53.679   25.898 -12.6802   10.797 -26.6999   13.100   17.020   19.067   50.890   25.318  103.994   43.135 -53.10396 50.01643 
1 1 1    8   25   18 o  122.803   29.062   23.724   9.1007   32.164   14.074   17.658   11.931  134.652   38.446  102.464   36.129 32.18877 52.75787 
1 1 1    8   25   19 o   75.666   29.071   7.6857   8.0095   17.132   12.150   0.4263   10.651  100.199   36.325   67.304   30.034 32.89478 47.13339 
1 1 1    8   25   20 o  142.633   23.910   30.499   8.5213   48.779   13.165   17.320   11.179  174.530   30.216  100.030   34.993 74.50008 46.23299 
1 1 1    8   25   21 o   59.990   26.145   1.3442   7.6317 -10.6655   10.623   14.152   10.971   53.692   25.849   91.739   34.296 -38.04768 42.94669 
1 1 1    8   25   22 o  122.283   35.771   27.461   12.049   42.740   20.161   18.970   15.029  135.060   47.007   99.637   39.371 35.42323 61.31704 
1 1 1    8   25   23 o  124.296   29.532   25.779   9.3677   41.980   19.434   20.875   10.692  133.356   46.167  106.859   34.177 26.49646 57.44137 
1 1 1    8   25   24 o   58.327   25.323   1.7604   7.1036  -2.1110   16.907   2.5904   7.8281   73.038   34.429   61.822   26.711 11.21635 43.57588 
1 1 1    8   25   25 o   59.649   25.756   2.4044   7.2684 -13.6400   16.889   6.0515   8.0522   63.864   31.172   68.892   28.248 -5.027973 42.06670 
1 1 1    8   25   26 o   58.695   25.663   1.9777   7.4060   14.610   18.495  -0.4345   8.0822   87.883   39.371   56.371   25.569 31.51195 46.94508 
1 1 1    8   25   27 o  110.392   27.363   20.867   7.7850   21.710   18.739   20.691   8.5585   93.762   40.913  107.164   29.768 -13.40207 50.59623 
1 1 1    8   25   28 o   90.814   29.103   15.202   7.7495   23.920   18.774   13.412   8.5082   93.652   40.906   84.329   30.424 9.323853 50.97955 
1 1 1    8   25   29 o   51.659   23.845  -1.2816   7.4500   6.0000   17.945  -2.7980   8.1891   73.885   35.020   51.634   24.220 22.25168 42.57984 
1 1 1    8   25   30 o   43.885   21.223  -6.9841   7.3592 -38.3500   19.015  -1.4585   7.9812   52.352   26.592   52.222   24.303 0.1306572 36.02409 
1 1 1    8   25   31 o   54.043   25.499  -1.9259   9.3141   0.0000   0.0000  -1.9259   9.3141  ?   ?    54.043   25.499 0.000000 25.49914 
1 1 1    8   25   32 o   47.726   22.411  -2.1866   7.0435  -4.5990   17.732  -1.7346   7.6750   62.444   30.772   49.980   23.445 12.46397 38.68607 
1 1 1    8   25   33 o  149.169   26.708   41.075   9.9409   0.0000   0.0000   41.075   9.9409  ?   ?   149.169   26.708 0.000000 26.70810 
1 1 1    8   25   34 o   74.499   29.703   12.730   8.6251 -27.5400   20.821   21.071   9.4764   54.251   27.583   92.847   32.233 -38.59602 42.42403 
1 1 1    8   25   35 o   60.620   27.745   5.9339   9.7928  -0.0416   19.380   7.9827   11.348   61.280   30.536   63.728   29.421 -2.448647 42.40333 
1 1 1    8   25   36 o   67.458   29.638   11.951   9.9846 -12.7300   19.346   20.912   11.657   54.548   27.611   79.366   33.381 -24.81826 43.32053 
1 1 1    8   26    0 o  142.264   29.415   30.072   10.482   40.506   16.442   22.929   13.604  157.603   40.160  119.898   38.574 37.70511 55.68466 
1 1 1    8   26    1 o  130.653   33.986   26.474   11.611   26.460   20.688   26.480   14.029  125.909   47.091  128.051   38.880 -2.142212 61.06757 
1 1 1    8   26    2 f  110.474   35.724   18.874   11.657   21.400   20.442   17.657   14.191  117.708   46.103  108.144   39.249 9.563942 60.54742 
1 1 1    8   26    3 o  155.005   26.030   34.679   10.081   21.870   14.475   46.742   14.047  117.085   39.868  176.245   31.947 -59.16055 51.08876 
1 1 1    8   26    4 o  203.995   20.562   57.545   10.717   38.504   15.847   73.592   14.548  153.631   39.578  227.550   25.100 -73.91949 46.86555 
1 1 1    8   26    5 o  176.226   22.790   43.727   10.159   51.886   15.117   37.006   13.719  184.919   32.759  153.731   35.210 31.18813 48.09223 
1 1 1    8   26    6 o   93.694   32.778   12.708   9.8084   4.8384   15.014   18.568   12.955   86.413   37.165  109.139   37.699 -22.72586 52.93801 
1 1 1    8   26    7 o  173.705   22.684   42.592   9.9629   27.168   15.468   53.526   13.024  127.315   41.149  191.959   26.935 -64.64390 49.18095 
1 1 1    8   26    8 o  261.039   17.048   92.508   11.464   88.320   17.337   95.761   15.282  246.128   27.674  260.953   22.838 -14.82498 35.88052 
1 1 1    8   26    9 o  118.615   30.465   21.615   9.4096  -1.2132   14.973   36.516   12.097   77.876   35.110  154.533   31.294 -76.65676 47.03225 
1 1 1    8   26   10 o   79.407   30.999   7.5154   9.2187   10.752   14.028   5.0553   12.230   92.903   37.586   80.433   34.030 12.47066 50.70247 
1 1 1    8   26   11 o  121.450   30.581   22.902   9.6145   30.500   15.579   18.229   12.219  132.299   41.118  106.508   36.622 25.79147 55.06256 
1 1 1    8   26   12 o   84.058   33.548   8.6302   11.012 -26.0200   22.230   19.899   12.677   72.586   35.500  109.766   37.311 -37.17995 51.50158 
1 1 1    8   26   13 o  150.617   36.349   37.716   14.019   37.590   21.494   37.810   18.494  136.672   48.459  141.419   44.920 -4.747498 66.07685 
1 1 1    8   26   14 o   99.340   35.729   15.937   11.724   7.1920   14.683   31.320   19.474   85.946   36.852  126.339   45.960 -40.39286 58.91002 
1 1 1    8   26   15 o   86.225   31.549   11.132   9.1957   7.8664   15.132   13.044   11.579   86.715   37.303   92.118   35.057 -5.403000 51.19118 
1 1 1    8   26   16 o   73.288   29.257   6.4307   8.3775   11.347   13.097   3.0260   10.899   89.103   36.221   71.861   31.283 17.24121 47.86007 
1 1 1    8   26   17 o   51.498   24.287  -6.3263   8.4321  -0.7771   13.384  -9.9786   10.858   71.336   32.567   55.414   26.535 15.92217 42.00896 
1 1 1    8   26   18 o   53.922   24.821  -3.1024   7.9927 -17.8757   11.619   10.168   11.012   51.033   25.102   83.498   33.469 -32.46535 41.83672 
1 1 1    8   26   19 o   41.733   20.718 -17.1539   8.5889  -4.3980   17.320 -21.3134   9.8906   73.481   34.702   43.380   21.648 30.10053 40.90049 
1 1 1    8   26   20 o   76.567   32.273   7.2449   10.934   7.7860   19.376   6.9920   13.245   85.899   39.204   79.002   34.436 6.896881 52.18057 
1 1 1    8   26   21 o   83.108   31.708   11.359   9.4874   9.6165   12.763   13.510   14.183   81.700   34.676   88.664   37.025 -6.964745 50.72713 
1 1 1    8   26   22 o  129.431   29.949   28.550   9.8416   30.150   18.476   27.916   11.629  111.460   43.777  121.640   35.015 -10.18005 56.05766 
1 1 1    8   26   23 o   62.657   26.667   3.6200   7.5852   6.2580   16.868   2.9514   8.4922   79.273   36.330   63.318   27.588 15.95545 45.61742 
1 1 1    8   26   24 o  121.368   26.260   24.273   8.0158   14.210   17.732   26.858   8.9864   86.883   38.763  125.639   28.293 -38.75599 47.99030 
1 1 1    8   26   25 o   78.094   28.835   10.531   7.7076   15.420   17.737   9.3928   8.5578   86.523   38.673   75.283   29.722 11.24059 48.77501 
1 1 1    8   26   26 o   61.063   26.066   3.9505   7.2873 -10.3500   16.860   7.2359   8.0812   62.974   30.824   69.182   28.325 -6.208221 41.86169 
1 1 1    8   26   27 o   60.794   26.046   4.1533   7.3237 -12.5200   17.447   7.7197   8.0690   61.417   30.315   69.256   28.323 -7.838650 41.48720 
1 1 1    8   26   28 o  119.140   26.471   25.068   7.9569   30.010   18.592   23.960   8.8039   95.318   41.175  111.549   29.872 -16.23098 50.86993 
1 1 1    8   26   29 o   93.476   31.233   18.613   8.8817   0.0000   0.0000   18.613   8.8817  ?   ?    93.476   31.233 0.000000 31.23276 
1 1 1    8   26   30 o   55.537   25.845   0.4037   9.0263   0.0000   0.0000   0.4037   9.0263  ?   ?    55.537   25.845 0.000000 25.84532 
1 1 1    8   26   31 o   54.663   24.552   2.4616   7.2423   6.7930   18.148   1.6411   7.8985   68.001   32.991   54.530   24.942 13.47124 41.35863 
1 1 1    8   26   32 f   70.485   29.262   10.868   8.7857   0.0000   0.0000   10.868   8.7857  ?   ?    70.485   29.262 0.000000 29.26203 
1 1 1    8   26   33 o   41.939   20.698  -9.4050   8.1232 -21.8500   21.199  -7.2632   8.7945   55.203   28.043   45.323   22.201 9.879684 35.76726 
1 1 1    8   26   34 o   66.796   30.846   11.938   12.489   27.420   19.369   0.9212   16.339   75.031   35.795   59.037   29.177 15.99419 46.17979 
1 1 1    8   26   35 o   58.168   26.249   6.4323   8.3910   17.810   18.713   3.5686   9.3878   66.164   32.404   54.898   25.809 11.26600 41.42616 
1 1 1    8   27    0 o  182.897   35.597   53.251   16.257   45.920   23.384   60.110   22.619  152.604   50.666  180.673   47.648 -28.06837 69.55120 
1 1 1    8   27    1 o  157.930   46.636   46.040   20.396   0.0000   0.0000   46.040   20.396  ?   ?   157.930   46.636 0.000000 46.63640 
1 1 1    8   27    2 o  202.536   30.080   61.814   15.302   0.0000   0.0000   61.814   15.302  ?   ?   202.536   30.080 0.000000 30.08027 
1 1 1    8   27    3 o   69.186   31.814  -4.5401   13.085   0.0000   0.0000  -4.5401   13.085  ?   ?    69.186   31.814 0.000000 31.81420 
1 1 1    8   27    4 o   92.493   34.656   12.286   11.214   12.820   20.517   12.058   13.392  102.233   43.692   94.109   37.172 8.123962 57.36504 
1 1 1    8   27    5 o  229.894   22.013   74.688   12.949   94.140   25.103   67.636   15.115  233.816   43.033  213.394   28.022 20.42223 51.35215 
1 1 1    8   27    6 o  104.405   39.144   17.361   14.311   27.680   23.074   10.910   18.244  121.929   48.592   96.976   41.317 24.95375 63.78312 
1 1 1    8   27    7 f   65.899   30.932  -7.9744   13.393 -22.5700   17.345   13.580   21.078   64.415   31.473  102.459   44.050 -38.04482 54.13804 
1 1 1    8   27    8 o   72.326   33.202  -3.3686   14.169   4.4270   21.802  -9.0690   18.643   92.983   42.103   76.314   36.028 16.66829 55.41376 
1 1 1    8   27    9 o   82.661   36.245   4.3645   14.866  -6.2060   21.739   13.650   20.375   83.392   39.227  100.803   43.322 -17.41148 58.44340 
1 1 1    8   27   10 f  110.274   36.250   20.601   11.981   9.3718   14.960   40.680   20.005   89.354   37.711  142.560   46.841 -53.20648 60.13475 
1 1 1    8   27   11 o   57.204   26.457  -4.3671   9.2389   1.3755   14.220  -8.5618   12.153   76.855   34.470   61.157   28.939 15.69796 45.00689 
1 1 1    8   27   12 o  169.420   22.983   41.978   9.8257   52.516   16.119   35.747   12.395  175.581   36.626  147.208   33.286 28.37247 49.49162 
1 1 1    8   27   13 o  125.425   28.976   25.028   9.2245   30.991   14.376   20.854   12.027  129.276   39.381  108.684   36.345 20.59119 53.58932 
1 1 1    8   27   14 o  161.676   24.052   39.134   9.7658   25.504   14.720   49.848   13.052  115.140   40.162  177.167   29.476 -62.02705 49.81764 
1 1 1    8   27   15 o   63.864   27.587   2.3780   8.3452 -20.9671   12.655   20.339   11.101   51.832   25.628  106.750   34.883 -54.91766 43.28560 
1 1 1    8   27   16 o   59.095   26.847  -1.3229   8.9554 -10.8886   14.069   5.1929   11.612   61.990   29.820   74.700   32.404 -12.71062 44.03671 
1 1 1    8   27   17 o  120.645   32.228   25.403   10.263   30.890   20.675   23.609   11.822  113.181   45.686  111.967   35.952 1.214546 58.13531 
1 1 1    8   27   18 o   69.099   30.985   2.2723   11.484  -2.9650   17.991   5.8740   14.919   74.028   35.081   78.637   35.285 -4.609764 49.75698 
1 1 1    8   27   19 o   81.650   29.268   11.073   7.8608  -1.8738   11.081   24.188   11.153   62.559   28.948  112.973   34.737 -50.41364 45.21769 
1 1 1    8   27   20 o   45.892   21.885  -6.3202   7.2256  -8.5613   12.010  -5.0487   9.0461   57.583   27.662   53.328   25.152 4.255028 37.38704 
1 1 1    8   27   21 o   69.098   27.685   6.7194   7.5309   8.3017   10.513   5.0517   10.793   75.478   31.721   70.380   30.871 5.098045 44.26322 
1 1 1    8   27   22 o   75.187   28.423   9.3186   7.5794   14.374   10.293   3.3298   11.203   86.968   33.063   67.816   30.492 19.15215 44.97687 
1 1 1    8   27   23 o   82.456   28.951   12.180   7.6551  -4.0750   16.724   16.489   8.6100   67.602   32.518   93.606   30.728 -26.00465 44.73962 
1 1 1    8   27   24 o   57.918   25.588   2.1345   7.5400 -12.5700   16.532   5.9968   8.4725   60.922   29.962   66.777   28.292 -5.855122 41.20881 
1 1 1    8   27   25 o   48.732   22.896  -3.1905   7.3687   6.3090   17.480  -5.2435   8.1260   73.685   34.817   48.518   23.157 25.16698 41.81501 
1 1 1    8   27   26 o   75.044   28.432   10.602   7.5949   42.300   18.626   4.2811   8.3178  112.184   43.988   61.640   27.067 50.54395 51.64894 
1 1 1    8   27   27 o   60.985   26.564   4.7393   7.8691   11.280   18.582   3.3099   8.6865   74.234   35.316   59.699   26.845 14.53581 44.36094 
1 1 1    8   27   28 o   58.539   26.494   3.1616   8.6221   0.0000   0.0000   3.1616   8.6221  ?   ?    58.539   26.494 0.000000 26.49442 
1 1 1    8   27   29 o   46.527   22.575  -6.1856   8.5030 -20.5400   18.500  -2.3408   9.5742   54.908   27.698   52.604   25.115 2.303757 37.38918 
1 1 1    8   27   30 o   42.586   20.582  -5.3163   6.8921 -27.2700   18.765  -1.8932   7.4100   52.161   26.487   47.971   22.668 4.189857 34.86217 
1 1 1    8   27   31 o   88.455   31.945   19.960   9.3839   0.0000   0.0000   19.960   9.3839  ?   ?    88.455   31.945 0.000000 31.94549 
1 1 1    8   27   32 o   66.017   28.262   9.9280   8.6103  -7.2190   21.213   13.310   9.4213   58.379   29.475   71.591   30.055 -13.21161 42.09581 
1 1 1    8   27   33 o   51.166   25.166  -3.8304   11.673 -12.9800   18.205   2.5570   15.211   53.066   26.852   58.009   28.570 -4.943016 39.20800 
1 1 1    8   27   34 o   49.094   23.255   0.8045   7.8880 -11.9700   18.196   3.7606   8.7532   51.827   26.292   53.602   25.111 -1.775726 36.35700 
1 1 1    8   28    0 o  114.518   33.173   21.582   10.408   26.223   15.903   18.104   13.766  119.362   41.738  103.770   38.491 15.59208 56.77692 
1 1 1    8   28    1 o  120.040   31.873   23.326   10.077   19.751   14.644   26.542   13.888  106.968   39.696  122.280   38.935 -15.31271 55.60323 
1 1 1    8   28    2 o  167.849   28.711   43.268   12.034   19.960   21.369   54.094   14.564  107.909   45.281  185.223   31.481 -77.31327 55.14904 
1 1 1    8   28    3 o  110.397   34.507   20.424   10.955   51.590   20.553   8.0565   12.947  161.829   46.541   84.351   35.312 77.47756 58.42068 
1 1 1    8   28    4 o  114.273   31.949   21.308   9.8251   26.774   14.490   16.656   13.367  121.442   39.863  100.309   37.787 21.13383 54.92644 
1 1 1    8   28    5 o  103.717   32.508   17.668   9.7149   15.872   14.625   19.086   12.997   98.845   38.908  105.218   37.642 -6.372757 54.13683 
1 1 1    8   28    6 o   98.214   32.583   15.774   9.6715   11.755   14.560   18.948   12.938   91.451   37.793  104.570   37.542 -13.11929 53.27046 
1 1 1    8   28    7 o   96.575   31.365   15.153   8.9796   15.008   13.764   15.261   11.848   96.178   37.782   96.236   35.708 -0.5773163E-01 51.98549 
1 1 1    8   28    8 o   88.095   32.346   12.137   9.6782   20.684   15.750   6.9511   12.267  106.076   40.763   80.326   34.038 25.75049 53.10607 
1 1 1    8   28    9 o   54.017   25.460  -6.4823   9.2399 -12.2139   14.499  -2.5627   11.990   62.957   30.282   66.207   30.448 -3.250233 42.94248 
1 1 1    8   28   10 o  107.804   31.954   19.678   9.5603   13.307   14.146   25.034   12.971   91.647   37.493  116.195   37.695 -24.54836 53.16612 
1 1 1    8   28   11 o   74.171   29.924   6.9872   8.8649   2.0837   13.737   10.487   11.605   74.482   33.600   84.344   34.164 -9.861946 47.91837 
1 1 1    8   28   12 o   59.022   26.377  -0.0667   8.2481   3.5567   12.179  -3.1363   11.210   73.254   32.434   62.680   29.044 10.57387 43.53757 
1 1 1    8   28   13 o   54.276   25.232  -3.8109   8.5674   5.6564   13.689  -9.9069   10.985   77.796   34.419   54.873   26.385 22.92288 43.36808 
1 1 1    8   28   14 o  216.856   19.924   68.528   11.067   66.880   21.045   69.159   13.011  175.136   45.852  212.683   24.039 -37.54756 51.77101 
1 1 1    8   28   15 o   45.371   22.677 -22.9599   11.041 -23.7300   18.056 -22.5000   13.953   60.845   30.177   53.111   26.373 7.733829 40.07759 
1 1 1    8   28   16 o   54.858   25.821  -4.8120   9.4447  -6.2720   12.375  -2.7750   14.617   60.618   28.833   68.130   32.084 -7.511456 43.13643 
1 1 1    8   28   17 o  153.335   24.052   36.846   9.2386   26.670   13.442   45.958   12.719  111.850   38.414  162.179   31.411 -50.32962 49.62156 
1 1 1    8   28   18 o  116.711   27.546   22.990   8.1936   34.463   12.167   13.469   11.084  134.320   34.718   85.393   33.789 48.92719 48.44635 
1 1 1    8   28   19 o   94.480   29.693   16.127   8.0990   15.533   12.720   16.532   10.503   88.036   35.730   91.721   33.694 -3.685547 49.11080 
1 1 1    8   28   20 o   62.419   26.047   4.5937   7.0121  -0.7869   9.0904   12.499   11.019   57.626   26.505   81.852   33.242 -24.22582 42.51572 
1 1 1    8   28   21 o   48.686   22.983  -4.1957   7.5847  -5.1161   10.461  -3.1756   11.013   55.400   26.395   58.563   27.661 -3.163200 38.23412 
1 1 1    8   28   22 o   62.431   26.769   4.5128   7.7466  -1.1026   10.955   10.129   10.956   60.017   28.108   75.526   32.094 -15.50887 42.66225 
1 1 1    8   28   23 o   53.384   25.157  -2.8124   9.0135  -8.5410   16.737  -0.4724   10.697   62.090   30.458   59.497   27.836 2.593380 41.26171 
1 1 1    8   28   24 o   44.456   21.429  -6.2511   7.3547   16.260   17.545 -11.0498   8.1008   79.897   36.776   42.354   20.858 37.54328 42.27929 
1 1 1    8   28   25 o   49.583   23.172  -1.6432   7.3773 -21.1500   16.173   3.4824   8.2901   53.108   26.672   59.113   26.429 -6.005127 37.54829 
1 1 1    8   28   26 o   35.626   17.930 -17.1715   7.5128 -55.5400   17.305  -8.2604   8.3397   43.822   22.499   44.539   21.775 -0.7166557 31.31067 
1 1 1    8   28   27 o   70.868   31.200   11.485   11.115   0.0000   0.0000   11.485   11.115  ?   ?    70.868   31.200 0.000000 31.20024 
1 1 1    8   28   28 o   48.907   23.161  -1.7118   7.8143   5.9980   18.241  -3.4447   8.6480   65.200   31.945   48.798   23.450 16.40239 39.62820 
1 1 1    8   28   29 o  125.260   25.855   29.912   8.1109   13.710   19.536   33.286   8.9155   68.225   33.349  129.678   27.400 -61.45267 43.16149 
1 1 1    8   28   30 o   71.245   29.720   13.020   9.1247   0.0000   0.0000   13.020   9.1247  ?   ?    71.245   29.720 0.000000 29.71952 
1 1 1    8   28   31 o   41.027   20.572 -13.9218   9.4339 -18.9400   17.864 -11.9811   11.109   50.869   25.832   45.364   22.684 5.505234 34.37830 
1 1 1    8   28   32 o   43.161   21.449  -8.8950   9.2981  -4.9830   18.158 -10.2854   10.825   54.433   27.456   45.008   22.489 9.424740 35.49061 
1 1 1    8   28   33 o   36.586   18.400 -13.1137   7.8370   2.2930   18.181 -16.6298   8.6853   55.275   27.829   36.721   18.577 18.55443 33.45963 
1 1 1    8   29    0 o  224.034   18.895   71.292   10.863   85.741   15.868   58.549   14.902  236.455   26.356  189.153   31.523 47.30257 41.08942 
1 1 1    8   29    1 o  227.508   19.542   73.967   11.404   80.208   16.565   68.343   15.725  224.947   29.111  205.926   30.393 19.02061 42.08533 
1 1 1    8   29    2 o  129.668   29.744   27.415   9.7779   25.335   14.046   29.370   13.620  114.679   39.273  124.836   38.387 -10.15625 54.91727 
1 1 1    8   29    3 o   66.463   29.983   0.0703   10.939  -5.4830   20.395   2.3128   12.961   77.774   37.000   73.494   32.939 4.280579 49.53759 
1 1 1    8   29    4 o   74.148   31.572   5.5668   10.642   9.8960   19.587   3.7538   12.675   89.895   40.377   74.751   33.093 15.14390 52.20575 
1 1 1    8   29    5 o  133.277   28.955   28.818   9.7103   27.543   14.460   29.865   13.105  117.857   39.849  126.276   37.407 -8.419083 54.65581 
1 1 1    8   29    6 o   74.715   30.338   7.2556   9.1757   15.046   14.605   2.1750   11.794   93.061   38.087   70.585   31.543 22.47667 49.45282 
1 1 1    8   29    7 o  163.988   22.696   40.310   9.3824   31.309   13.585   48.518   12.973  127.424   38.164  171.682   30.279 -44.25767 48.71706 
1 1 1    8   29    8 o  164.221   22.906   40.669   9.4786   27.278   15.092   49.392   12.181  114.220   40.594  175.863   27.652 -61.64304 49.11783 
1 1 1    8   29    9 o   81.043   32.748   10.085   10.636   14.310   18.649   8.0487   12.948   91.403   40.319   79.610   34.375 11.79308 52.98388 
1 1 1    8   29   10 o  112.495   34.184   23.507   10.842  -0.3656   19.684   33.902   12.989   77.775   36.810  133.360   36.526 -55.58526 51.85726 
1 1 1    8   29   11 o  155.410   35.113   44.402   13.802   23.550   21.165   59.830   18.205   99.962   43.553  170.538   41.586 -70.57673 60.21888 
1 1 1    8   29   12 o  149.408   28.724   37.308   10.713   24.664   14.184   54.100   16.345  106.747   39.164  165.337   38.827 -58.59020 55.14841 
1 1 1    8   29   13 o  107.535   33.377   21.937   10.269   22.094   14.110   21.760   14.974  100.803   38.619   99.233   39.271 1.570595 55.07881 
1 1 1    8   29   14 o  168.271   21.878   43.319   9.3105   51.130   14.399   37.707   12.205  165.261   34.739  142.456   33.619 22.80574 48.34258 
1 1 1    8   29   15 o   65.950   28.375   4.6425   8.7589   35.304   13.791 -16.0877   11.340  128.535   38.442   49.486   24.428 79.04864 45.54699 
1 1 1    8   29   16 o   56.575   25.717  -0.1273   8.2318  -2.5958   12.402   1.8166   11.006   62.550   29.486   65.039   29.631 -2.489658 41.80174 
1 1 1    8   29   17 o   63.839   27.061   4.7711   7.7578 -11.2245   11.301   19.025   10.668   52.333   25.534   95.984   34.129 -43.65052 42.62375 
1 1 1    8   29   18 f   65.663   26.936   6.0882   7.3260   9.3798   10.956   3.4259   9.8528   75.025   31.992   64.415   28.805 10.61053 43.04918 
1 1 1    8   29   19 o   68.401   27.148   7.4933   7.1746   4.2458   9.7565   11.317   10.587   64.917   28.872   77.545   32.152 -12.62841 43.21259 
1 1 1    8   29   20 o   49.834   23.388  -2.8751   7.6533   3.1163   10.797  -8.9260   10.850   64.066   29.249   51.897   25.254 12.16914 38.64322 
1 1 1    8   29   21 o   64.216   26.739   6.1994   7.3676   4.3502   10.361   8.0911   10.479   64.338   29.088   69.983   30.564 -5.645668 42.19364 
1 1 1    8   29   22 o   66.140   27.252   7.3694   7.5401   7.6261   10.345   7.0784   11.013   68.085   30.032   67.672   30.344 0.4135971 42.69239 
1 1 1    8   29   23 o   67.083   29.202   7.9601   9.4962  -0.5734   17.831   11.339   11.220   64.597   31.636   72.648   31.680 -8.050072 44.77086 
1 1 1    8   29   24 o   63.780   27.438   6.9962   8.1874  -8.2660   18.101   10.922   9.1801   59.577   29.659   71.327   29.786 -11.75064 42.03430 
1 1 1    8   29   25 o   50.090   23.981  -2.8421   8.8586   0.0000   0.0000  -2.8421   8.8586  ?   ?    50.090   23.981 0.000000 23.98106 
1 1 1    8   29   26 o   47.365   23.101  -5.9528   9.2258 -46.4000   17.150   10.519   10.944   44.361   22.751   67.446   30.245 -23.08473 37.84697 
1 1 1    8   29   27 o   44.444   21.472  -4.3273   7.4850 -42.6300   17.411   4.3564   8.2901   45.082   23.107   56.812   25.818 -11.73005 34.64851 
1 1 1    8   29   28 o  106.038   29.503   25.316   8.3996   23.980   18.896   25.645   9.3770   72.117   34.658  100.422   31.995 -28.30510 47.16856 
1 1 1    8   29   29 o   83.031   31.338   19.544   9.2043   0.0000   0.0000   19.544   9.2043  ?   ?    83.031   31.338 0.000000 31.33801 
1 1 1    8   29   30 o   54.139   26.577   1.0494   12.816 -18.4000   19.526   15.770   16.987   50.957   25.983   63.869   31.194 -12.91201 40.59729 
1 1 1    8   29   31 o   45.476   22.134  -2.5255   8.3451   16.940   18.682  -7.3777   9.3274   61.535   30.549   43.377   21.544 18.15779 37.38174 
1 1 1    8   29   32 o   59.642   27.658   11.361   10.195  -3.7100   20.132   16.559   11.823   52.063   26.532   63.793   29.652 -11.73016 39.78908 
1 1 1    8   30    0 o   81.808   34.233   10.495   12.160   12.280   19.675   9.3910   15.469   88.014   39.911   82.496   36.539 5.517349 54.11086 
1 1 1    8   30    1 o   88.971   35.549   14.469   12.380   6.8660   19.148   19.930   16.228   82.568   38.153   97.198   40.006 -14.63000 55.28209 
1 1 1    8   30    2 o  104.267   37.683   22.292   13.061   32.570   19.488   13.910   17.599  113.202   44.801   88.872   39.187 24.32990 59.52063 
1 1 1    8   30    3 o  117.312   38.007   28.219   13.190   37.690   20.217   21.200   17.404  119.529   46.116   98.144   41.001 21.38488 61.70699 
1 1 1    8   30    4 o  114.148   37.130   26.379   12.582   14.600   20.155   33.900   16.105   89.772   40.580  121.781   42.035 -32.00921 58.42686 
1 1 1    8   30    5 o  143.855   34.633   38.462   12.750   39.420   19.600   37.760   16.787  122.576   45.838  127.183   42.937 -4.607361 62.80724 
1 1 1    8   30    6 o   71.499   30.847   5.8907   10.408  -0.8416   14.165   13.790   15.344   68.675   32.099   86.927   37.478 -18.25263 49.34518 
1 1 1    8   30    7 o   94.548   33.276   17.025   10.117   0.3376   13.250   40.350   15.666   68.169   31.583  135.176   41.095 -67.00688 51.82921 
1 1 1    8   30    8 o   84.488   32.923   13.011   10.384   18.333   13.936   6.3680   15.569   93.244   37.554   77.121   35.176 16.12356 51.45532 
1 1 1    8   30    9 o   62.568   27.203   3.2595   8.2210  -0.7375   12.667   6.1680   10.806   65.471   30.518   71.567   31.152 -6.095284 43.60971 
1 1 1    8   30   10 o   89.412   30.750   14.792   8.6144   7.7360   13.260   19.945   11.331   75.861   33.703   98.308   35.150 -22.44643 48.69760 
1 1 1    8   30   11 o   60.274   26.631   2.2933   8.1692 -13.1918   12.180   14.954   11.014   53.216   26.080   86.953   33.900 -33.73709 42.77100 
1 1 1    8   30   12 o   79.737   29.638   11.397   8.1701   13.981   13.149   9.7718   10.427   83.833   35.367   76.253   31.786 7.580429 47.55148 
1 1 1    8   30   13 o   63.891   27.492   4.5356   8.2241  -0.1421   12.333   8.2811   11.036   64.169   29.979   73.576   31.753 -9.407089 43.66906 
1 1 1    8   30   14 o   45.952   22.168  -7.3998   7.9062 -16.7787   12.015  -0.2383   10.499   49.847   24.704   60.533   28.070 -10.68625 37.39257 
1 1 1    8   30   15 f   77.389   28.557   10.877   7.5574   7.2030   10.353   15.067   11.057   70.294   30.545   84.692   33.673 -14.39764 45.46336 
1 1 1    8   30   16 f   68.959   27.450   7.8480   7.3553   16.866   10.912   0.3391   9.9573   87.746   33.873   59.423   27.477 28.32362 43.61607 
1 1 1    8   30   17 o  115.876   26.283   23.570   7.7076   24.845   10.824   22.258   10.978  106.038   34.435   98.944   34.674 7.093887 48.86806 
1 1 1    8   30   18 o   42.910   20.882  -8.0143   7.4208 -19.1017   10.565   2.7808   10.425   43.902   21.978   62.128   28.505 -18.22551 35.99409 
1 1 1    8   30   19 o   72.502   28.316   10.064   7.6949   9.5921   11.337   10.468   10.478   71.335   31.453   72.655   31.142 -1.320557 44.26170 
1 1 1    8   30   20 o   65.283   26.816   7.4002   7.2727   17.395   9.9157  -4.2358   10.699   85.846   32.496   53.720   25.883 32.12675 41.54408 
1 1 1    8   30   21 o   64.152   27.151   7.1996   7.7893   14.609   11.196   0.2487   10.844   76.658   32.503   57.425   27.220 19.23319 42.39531 
1 1 1    8   30   22 f   69.149   28.386   10.044   8.1432   13.827   11.815   6.6218   11.239   73.354   32.234   63.833   29.401 9.521118 43.62888 
1 1 1    8   30   23 o   52.780   24.533   1.1202   8.0939   21.540   12.080 -15.5159   10.903   83.678   34.487   44.518   22.293 39.15949 41.06516 
1 1 1    8   30   24 o   66.749   29.772   10.636   10.454   0.0000   0.0000   10.636   10.454  ?   ?    66.749   29.772 0.000000 29.77238 
1 1 1    8   30   25 o   38.789   19.239  -9.8682   7.3411 -10.2100   17.747  -9.7976   8.0634   54.572   27.477   40.796   20.222 13.77605 34.11623 
1 1 1    8   30   26 o   64.374   27.778   9.8338   8.4435   11.060   18.315   9.5028   9.5150   63.279   31.201   63.241   28.292 0.3836441E-01 42.11814 
1 1 1    8   30   27 o   39.943   19.893 -10.3805   8.1788   3.0150   18.314 -13.7177   9.1410   58.177   29.097   40.093   20.124 18.08443 35.37766 
1 1 1    8   30   28 o   59.570   29.428   9.4000   16.563   0.0000   0.0000   9.4000   16.563  ?   ?    59.570   29.428 0.000000 29.42807 
1 1 1    8   30   29 o   71.708   30.742   18.329   10.214   34.380   20.074   12.722   11.865   68.752   33.648   61.622   28.985 7.129616 44.41091 
1 1 1    8   30   30 o   46.422   22.166   0.7950   7.4622  -9.5760   18.845   2.7237   8.1264   49.859   25.432   49.334   23.437 0.5244255 34.58419 
1 1 1    8   31    0 o  174.121   22.037   47.161   9.7167   42.058   15.107   50.762   12.690  136.469   40.091  169.604   29.982 -33.13426 50.06199 
1 1 1    8   31    1 o  158.747   24.271   40.586   9.6631   38.352   14.526   42.359   12.942  130.388   39.557  147.854   34.434 -17.46574 52.44482 
1 1 1    8   31    2 o  163.947   22.872   42.391   9.4485   47.918   14.204   38.003   12.655  154.867   36.077  138.026   35.265 16.84114 50.44988 
1 1 1    8   31    3 o   62.292   26.969   3.7688   8.0126   1.9740   11.541   5.4391   11.133   65.587   30.055   69.628   30.911 -4.040970 43.11335 
1 1 1    8   31    4 o  120.890   31.871   27.661   10.122   18.670   16.572   33.011   12.784   89.100   38.680  124.126   36.986 -35.02583 53.51791 
1 1 1    8   31    5 o  159.655   26.676   42.919   10.643   53.400   19.130   38.221   12.808  139.962   45.797  136.913   35.734 3.049088 58.08813 
1 1 1    8   31    6 o   89.914   31.435   15.799   9.0207  -3.5002   13.271   32.373   12.299   62.288   29.692  123.724   36.124 -61.43598 46.76040 
1 1 1    8   31    7 o   66.914   28.348   6.0779   8.5054   10.332   12.623   2.5410   11.511   77.001   33.590   65.558   30.032 11.44317 45.05775 
1 1 1    8   31    8 o  150.289   24.961   37.379   9.3761   44.859   14.744   32.300   12.149  141.470   38.985  123.107   35.892 18.36349 52.99129 
1 1 1    8   31    9 o   86.331   30.342   14.456   8.4092   25.445   12.650   5.7539   11.257  103.937   37.141   68.918   30.806 35.01913 48.25452 
1 1 1    8   31   10 o   49.483   23.520  -4.6535   8.2070   4.6215   12.837 -11.0648   10.673   68.759   31.578   50.088   24.518 18.67093 39.97923 
1 1 1    8   31   11 o  101.644   28.966   19.392   7.9966   33.727   12.145   8.4220   10.624  124.712   35.750   71.733   31.056 52.97874 47.35587 
1 1 1    8   31   12 o   94.189   30.183   17.544   8.3355   6.2840   12.179   27.468   11.433   69.277   31.409  110.729   35.334 -41.45163 47.27639 
1 1 1    8   31   13 o   65.025   27.230   6.3811   7.7022  -0.7549   10.722   13.988   11.071   58.752   27.609   80.319   33.049 -21.56701 43.06402 
1 1 1    8   31   14 o   58.654   26.045   3.1119   7.9083 -11.7131   11.466   16.564   10.922   50.470   24.847   84.715   33.535 -34.24468 41.73715 
1 1 1    8   31   15 o   50.557   23.385  -0.8278   7.2203   12.017   10.516 -12.2843   9.9314   75.445   31.717   46.230   22.829 29.21451 39.07843 
1 1 1    8   31   16 o   71.255   31.121   10.077   10.866   0.0000   0.0000   10.077   10.866  ?   ?    71.255   31.121 0.000000 31.12123 
1 1 1    8   31   17 o   61.084   26.370   5.4881   7.6161   5.4496   10.785   5.5264   10.757   63.794   29.167   63.873   29.174 -0.7918930E-01 41.25392 
1 1 1    8   31   18 o   54.150   24.253   2.5150   7.0137  -1.8603   9.3607   8.1155   10.591   52.638   25.049   66.335   29.750 -13.69696 38.89074 
1 1 1    8   31   19 f   74.582   28.812   12.345   7.8994   19.656   11.441   5.6833   10.920   83.228   33.845   62.290   28.793 20.93870 44.43602 
1 1 1    8   31   20 o  131.026   26.569   33.043   8.7089   10.389   13.007   51.451   11.725   66.928   31.106  157.827   29.771 -90.89948 43.05720 
1 1 1    8   31   21 o   52.679   24.760   0.9927   8.6320   25.300   13.693 -15.0382   11.120   83.337   35.657   44.630   22.373 38.70706 42.09451 
1 1 1    8   31   22 o   54.802   26.213   1.5173   10.529   0.6913   14.348   2.4810   15.498   57.224   28.097   58.945   28.994 -1.720879 40.37421 
1 1 1    8   31   23 o   45.104   21.896  -4.0022   8.0268   8.7282   11.440 -16.3458   11.265   61.688   28.837   43.310   21.818 18.37717 36.16086 
1 1 1    8   31   24 o   44.587   22.038  -7.2227   9.3318   13.290   17.455 -15.4317   11.042   63.107   30.986   42.916   21.617 20.19030 37.78146 
1 1 1    8   31   25 o   54.353   25.212   4.6476   8.4798 -13.6500   17.684   10.111   9.6632   50.728   25.754   61.836   28.012 -11.10764 38.05190 
1 1 1    8   31   26 o   41.611   20.884 -11.9211   9.8340   8.7190   18.669 -19.8472   11.569   58.107   29.108   40.969   20.803 17.13869 35.77745 
1 1 1    8   31   27 o   40.163   20.339 -16.4353   10.581   0.0000   0.0000 -16.4353   10.581  ?   ?    40.163   20.339 0.000000 20.33943 
1 1 1    8   31   28 o   41.606   20.534  -4.8380   7.9961 -27.1300   19.431  -0.2936   8.7733   45.705   23.484   46.541   22.661 -0.8355293 32.63519 
1 1 1    8   31   29 o   48.212   22.840   3.4155   7.6147 -12.3900   18.550   6.6187   8.3507   47.118   24.129   52.326   24.517 -5.208408 34.39901 
1 1 1    8   32    0 o   80.334   30.675   12.984   8.8835  -2.9876   12.824   27.720   12.318   60.221   28.837  107.439   36.777 -47.21839 46.73475 
1 1 1    8   32    1 o   53.930   25.110  -1.2742   8.5376   11.231   13.383  -9.8565   11.087   75.873   33.776   51.421   25.132 24.45267 42.10015 
1 1 1    8   32    2 o  105.337   29.322   21.190   8.2949   36.672   12.186   7.8217   11.323  130.633   35.213   70.455   31.231 60.17757 47.06678 
1 1 1    8   32    3 o   64.019   27.140   5.7934   7.8041   5.9263   11.460   5.6785   10.657   67.866   30.646   66.794   29.907 1.071114 42.82063 
1 1 1    8   32    4 o   61.429   26.852   4.2792   8.1042  -2.0014   11.324   10.873   11.603   58.534   27.766   74.917   32.445 -16.38290 42.70381 
1 1 1    8   32    5 o   59.093   27.121   1.4308   9.4476   7.3710   17.699  -0.9361   11.172   72.852   34.603   59.236   27.943 13.61524 44.47631 
1 1 1    8   32    6 o   94.597   32.622   19.502   9.6986   22.920   18.272   18.161   11.444   86.657   38.954   87.571   34.435 -0.9146500 51.99171 
1 1 1    8   32    7 o   75.885   29.644   11.339   8.4344   6.7623   12.823   14.829   11.197   69.161   31.689   81.039   33.279 -11.87762 45.95251 
1 1 1    8   32    8 o   79.498   30.003   12.931   8.4362   9.0677   13.086   15.678   11.036   71.656   32.515   82.401   33.337 -10.74509 46.56794 
1 1 1    8   32    9 o   74.027   28.568   10.645   7.7602   13.227   11.590   8.5473   10.448   77.094   32.890   69.619   30.459 7.475609 44.82787 
1 1 1    8   32   10 f   60.057   26.574   4.1031   8.1630   7.9653   11.617   0.3367   11.472   68.813   30.985   59.815   28.246 8.998196 41.92737 
1 1 1    8   32   11 o   49.055   23.058  -2.1417   7.4862  -6.6721   10.192   3.1656   11.032   50.750   24.645   61.923   28.735 -11.17306 37.85592 
1 1 1    8   32   12 o  116.159   28.202   25.967   8.4003   24.592   12.068   27.260   11.700   95.398   35.910  102.820   35.809 -7.421318 50.71329 
1 1 1    8   32   13 o   68.430   27.877   9.1012   7.7792   13.497   11.333   5.1843   10.698   74.959   32.264   63.000   28.894 11.95841 43.31094 
1 1 1    8   32   14 o   46.484   22.086  -2.9907   7.2215  -3.4685   10.459  -2.5552   9.9834   52.938   25.527   52.960   25.382 -0.2108765E-01 35.99869 
1 1 1    8   32   15 o   53.065   24.390   1.4438   7.6787   11.249   11.042  -7.7375   10.685   69.757   30.885   49.428   24.265 20.32843 39.27640 
1 1 1    8   32   16 o  125.707   25.669   29.716   8.0756   26.869   11.310   32.677   11.535   97.399   35.086  110.449   35.517 -13.05034 49.92484 
1 1 1    8   32   17 o   38.908   19.306 -10.4832   7.4216  -6.3121   10.581 -14.5225   10.413   49.231   24.163   43.646   21.846 5.584732 32.57453 
1 1 1    8   32   18 o   76.745   30.543   15.733   9.1041 -12.6600   14.956   32.448   11.475   51.110   25.666  105.726   35.500 -54.61604 43.80643 
1 1 1    8   32   19 o   63.769   28.330   9.6443   9.3676   14.690   12.033   1.8820   14.925   68.908   31.233   57.725   28.405 11.18261 42.21812 
1 1 1    8   32   20 o   58.016   26.667   6.3088   9.1802   2.2200   11.572   13.250   15.078   55.057   26.623   64.318   30.922 -9.261177 40.80415 
1 1 1    8   32   21 o   73.417   28.980   14.736   8.1350   14.898   12.238   14.608   10.889   66.360   30.606   67.543   30.237 -1.183014 43.02378 
1 1 1    8   32   22 o   39.404   19.580  -8.8884   7.7416   3.3042   11.236 -19.9075   10.682   54.162   26.201   39.664   20.124 14.49782 33.03747 
1 1 1    8   32   23 o   41.090   20.209  -5.6558   7.5227 -12.8885   10.391   2.3086   10.905   41.967   21.117   52.385   25.451 -10.41715 33.07127 
1 1 1    8   32   24 o   46.025   22.636  -3.0650   9.4383  -9.4570   17.428  -0.4123   11.227   49.956   25.383   49.809   24.534 0.1469078 35.30186 
1 1 1    8   32   25 o   39.340   19.788 -11.6277   9.0792  -6.7320   20.168 -12.8721   10.168   50.911   25.998   40.606   20.490 10.30528 33.10162 
1 1 1    8   32   26 o   51.888   24.764   5.7080   9.2899   0.0000   0.0000   5.7080   9.2899  ?   ?    51.888   24.764 0.000000 24.76411 
1 1 1    8   32   27 o   47.002   22.789   2.2222   8.6210 -10.7100   19.005   5.5726   9.6735   47.022   24.104   50.474   24.391 -3.451305 34.29181 
1 1 1    8   33    0 o   97.057   30.235   19.985   8.4180   20.313   12.590   19.720   11.321   85.488   35.218   86.988   34.235 -1.499901 49.11555 
1 1 1    8   33    1 o   83.387   30.295   15.289   8.4578   20.312   12.862   11.462   11.226   84.991   35.355   72.384   31.623 12.60686 47.43438 
1 1 1    8   33    2 o  148.141   24.729   38.564   9.1548   28.369   13.282   47.791   12.636   98.620   37.543  149.091   33.532 -50.47141 50.33774 
1 1 1    8   33    3 o   71.384   29.154   10.450   8.5351   26.741   13.351  -0.8108   11.100   95.000   37.244   57.107   27.203 37.89316 46.12103 
1 1 1    8   33    4 o   43.070   21.076  -8.3633   7.8681  -8.2224   12.411  -8.4579   10.174   53.115   26.090   48.741   23.876 4.374229 35.36558 
1 1 1    8   33    5 o   41.976   20.632  -9.3308   7.8023 -21.1343   12.807  -2.3639   9.8391   46.579   23.439   53.298   25.450 -6.718525 34.59912 
1 1 1    8   33    6 o   61.088   27.380   5.0764   8.9564   0.3175   16.613   7.0262   10.634   63.013   30.791   65.073   29.440 -2.060291 42.60064 
1 1 1    8   33    7 o   51.790   24.310  -0.7201   8.2734  -9.4330   15.982   2.4694   9.6698   56.671   28.156   58.033   26.920 -1.361786 38.95409 
1 1 1    8   33    8 o   68.855   28.070   9.7029   7.8939   4.5508   12.414   13.201   10.228   62.617   29.512   74.101   31.223 -11.48325 42.96317 
1 1 1    8   33    9 o   61.305   26.466   6.2800   7.6721   2.6841   10.684   10.108   11.024   58.812   27.612   68.225   30.492 -9.413441 41.13611 
1 1 1    8   33   10 o   70.763   28.294   10.902   7.8487   9.7123   11.553   11.922   10.696   67.073   30.480   70.433   30.817 -3.359253 43.34417 
1 1 1    8   33   11 o   48.959   22.822  -0.2220   7.0836  -4.7382   10.617   3.4012   9.5096   51.007   24.856   57.558   26.699 -6.551300 36.47815 
1 1 1    8   33   12 o   69.598   27.991   10.868   7.7302   13.274   11.242   8.7096   10.646   70.531   31.198   64.399   29.263 6.131775 42.77453 
1 1 1    8   33   13 o   51.336   23.993   0.9312   7.9118  -4.7269   11.516   5.9888   10.888   51.455   25.246   60.381   28.195 -8.925930 37.84600 
1 1 1    8   33   14 o   60.744   26.051   7.3483   7.3398   7.6103   9.9696   7.0382   10.846   61.309   28.036   60.774   28.299 0.5345726 39.83487 
1 1 1    8   33   15 f   62.159   27.733   8.7264   9.0772   9.9430   15.904   8.1386   11.055   62.717   30.532   61.206   28.523 1.511055 41.78224 
1 1 1    8   33   16 o   55.206   26.481   3.0787   10.918   10.760   15.688  -4.1360   15.204   62.196   30.288   53.614   26.768 8.581970 40.42172 
1 1 1    8   33   17 o   55.899   25.495   5.6471   8.1765   6.8514   10.343   3.6400   13.352   57.992   27.208   56.164   27.478 1.828194 38.66930 
1 1 1    8   33   18 o  122.562   27.203   32.486   8.4106   39.126   12.316   26.684   11.513  105.596   36.742   84.153   34.049 21.44271 50.09280 
1 1 1    8   33   19 o   59.292   26.000   8.5475   7.6507   20.212   11.853   0.2172   10.017   70.937   31.667   49.965   24.303 20.97229 39.91787 
1 1 1    8   33   20 o   64.135   26.747   11.186   7.3877   14.811   11.074   8.2781   9.9172   64.081   29.393   57.158   26.761 6.922497 39.75024 
1 1 1    8   33   21 o   46.512   22.626  -0.8200   8.6883   7.5600   17.794  -3.4432   9.9557   55.418   27.852   46.012   22.747 9.406052 35.96014 
1 1 1    8   33   22 o   58.617   28.199   13.059   12.583  -3.0400   18.609   26.620   17.079   51.020   25.954   63.861   31.209 -12.84100 40.59035 
1 1 1    8   33   23 o   59.267   27.378   12.536   9.8488  -0.7434   12.232   37.010   16.606   48.250   24.078   69.870   33.281 -21.61929 41.07732 
1 1 1    8   33   24 o   44.176   21.730  -1.2941   8.7073 -10.2900   14.673   3.5957   10.818   44.988   22.901   49.273   24.234 -4.284557 33.34240 
1 1 1    8   33   25 o   52.631   25.729   10.139   11.637   0.0000   0.0000   10.139   11.637  ?   ?    52.631   25.729 0.000000 25.72917 
1 1 1    8   33   26 o   47.788   23.108   5.2791   8.7185 -14.6600   18.712   10.808   9.8535   43.890   22.567   52.630   25.222 -8.739807 33.84390 
1 1 1    8   34    0 o   92.739   29.986   19.970   8.2133   24.453   11.974   15.987   11.287   87.798   35.000   74.481   32.128 13.31776 47.51022 
1 1 1    8   34    1 o  199.565   18.502   64.223   9.4553   62.104   13.468   66.283   13.277  166.983   32.306  178.157   29.825 -11.17380 43.96865 
1 1 1    8   34    2 o  189.988   18.787   58.608   9.1243   46.802   13.083   69.790   12.732  132.413   36.812  189.838   26.624 -57.42488 45.43094 
1 1 1    8   34    3 o   83.098   29.794   16.652   8.1463   10.089   11.505   23.251   11.537   65.740   30.082   86.541   34.400 -20.80035 45.69817 
1 1 1    8   34    4 o   61.097   26.696   7.0596   8.0030   13.093   11.370   1.1352   11.267   69.517   31.025   56.011   26.876 13.50619 41.04768 
1 1 1    8   34    5 f   61.419   26.641   7.3564   7.8473   3.8217   11.444   10.493   10.781   58.444   27.778   65.953   29.759 -7.508556 40.70889 
1 1 1    8   34    6 f   57.075   26.250   4.4822   8.9148 -16.5700   15.783   14.346   10.803   50.506   25.491   71.194   31.065 -20.68754 40.18454 
1 1 1    8   34    7 o   64.141   28.072   9.3296   8.8812   14.160   15.683   7.0491   10.776   67.055   32.051   60.876   28.300 6.178787 42.75635 
1 1 1    8   34    8 o   46.477   22.153  -1.6983   7.3842   4.0429   11.342  -5.9222   9.7285   57.550   27.438   47.084   23.122 10.46633 35.88106 
1 1 1    8   34    9 o   49.883   23.178   1.4000   7.2150  -1.2694   10.617   3.6904   9.8346   51.775   25.146   55.725   26.265 -3.949867 36.36143 
1 1 1    8   34   10 o   62.074   27.750   9.0782   9.1370   12.030   16.341   7.7357   11.021   63.222   30.815   60.115   28.166 3.107021 41.74804 
1 1 1    8   34   11 o   56.394   26.154   5.4569   9.1197   12.750   15.347   1.4761   11.339   63.118   30.555   53.802   26.097 9.315525 40.18237 
1 1 1    8   34   12 o   70.083   31.245   17.385   11.499   28.260   15.551   4.2650   17.081   75.036   34.570   57.446   28.632 17.58977 44.88762 
1 1 1    8   34   13 o   56.358   27.116   5.7998   11.646   3.6690   16.829   7.7580   16.133   56.353   28.140   58.272   28.834 -1.919315 40.29018 
1 1 1    8   34   14 o   37.919   19.070 -13.2199   8.4126 -21.2422   10.484   1.2820   14.096   38.452   19.552   53.517   26.563 -15.06495 32.98355 
1 1 1    8   34   15 o   40.967   20.062  -4.6066   7.1674  -9.1871   10.782  -0.9793   9.5943   44.194   22.136   48.086   23.476 -3.892361 32.26637 
1 1 1    8   34   16 o   56.254   25.579   7.6323   8.1522   21.900   11.925  -4.8841   11.170   70.723   31.654   46.659   23.240 24.06382 39.26876 
1 1 1    8   34   17 o   90.079   29.754   22.942   8.0683   22.356   11.566   23.497   11.261   71.085   31.534   73.790   31.960 -2.704643 44.89768 
1 1 1    8   34   18 o   37.740   18.842  -8.6219   7.5296 -19.5841   10.068   5.2909   11.342   37.246   18.961   52.427   25.580 -15.18081 31.84080 
1 1 1    8   34   19 o   47.816   23.384   1.1596   9.6393 -28.8700   17.305   14.668   11.607   43.058   22.127   59.608   28.228 -16.55059 35.86619 
1 1 1    8   34   20 o   54.195   26.511   10.047   12.416   6.4450   18.534   12.980   16.723   51.951   26.374   54.502   27.337 -2.551174 37.98578 
1 1 1    8   34   21 o   51.458   24.686   7.0200   9.4914   5.4484   11.772   9.9390   16.044   50.180   24.793   52.241   26.281 -2.060886 36.13017 
1 1 1    8   34   22 o   48.368   23.056   4.9453   8.0007   2.8132   10.951   7.3860   11.717   47.356   23.490   50.360   24.854 -3.004173 34.19804 
1 1 1    8   34   23 o   52.926   25.161   10.751   9.3980   29.420   15.620   0.1570   11.766   58.850   28.978   45.178   22.698 13.67208 36.80891 
1 1 1    8   34   24 o   33.896   17.255 -14.3511   8.3288 -26.9400   15.469  -9.2121   9.8836   38.691   19.924   38.415   19.477 0.2753639 27.86225 
1 1 1    8   35    0 o  172.623   25.231   59.823   10.949   58.012   13.095   64.030   19.957  146.227   35.033   97.444   42.376 48.78248 54.98213 
1 1 1    8   35    1 o   43.356   21.574  -8.7944   9.5329 -11.0480   11.361  -3.4340   17.522   45.063   22.593   54.053   27.227 -8.989758 35.38029 
1 1 1    8   35    2 o   61.343   27.845   9.9056   9.6079  -0.8475   11.524   34.420   17.400   51.377   25.217   76.102   35.572 -24.72451 43.60334 
1 1 1    8   35    3 o   94.089   33.142   27.343   10.038   27.914   12.026   26.030   18.223   84.384   34.551   68.237   33.095 16.14721 47.84447 
1 1 1    8   35    4 o  100.048   34.328   31.824   10.733   33.248   12.911   28.640   19.310   89.248   36.076   68.324   33.345 20.92426 49.12567 
1 1 1    8   35    5 f   43.574   21.702  -8.4695   9.7358 -18.3515   11.710   13.660   17.523   41.903   21.240   60.837   30.094 -18.93417 36.83464 
1 1 1    8   35    6 o   50.271   24.124   1.4254   9.0810  -4.7312   11.284   12.740   15.298   47.902   23.775   60.530   29.571 -12.62796 37.94360 
1 1 1    8   35    7 o   47.266   23.465  -4.8679   11.020  -5.1190   15.571  -4.6160   15.599   51.054   25.710   51.276   25.811 -0.2219772 36.43068 
1 1 1    8   35    8 o   63.179   29.463   14.596   11.828   5.2040   15.992   25.940   17.576   55.367   27.613   66.107   32.163 -10.74032 42.39036 
1 1 1    8   35    9 o   37.442   18.758 -10.8305   7.7657 -22.8654   10.910   1.5303   11.057   38.171   19.460   50.984   24.957 -12.81280 31.64661 
1 1 1    8   35   10 o   42.037   20.665  -4.4618   7.8366 -14.8614   11.694   4.0166   10.558   42.279   21.408   52.272   25.313 -9.993176 33.15219 
1 1 1    8   35   11 o   40.013   19.809  -6.2172   7.6476   5.3907   11.231 -16.2531   10.443   53.115   25.812   39.528   20.038 13.58756 32.67677 
1 1 1    8   35   12 o   48.101   22.747   2.5943   7.4880   15.648   10.696  -9.9513   10.486   63.116   28.927   42.255   21.256 20.86106 35.89671 
1 1 1    8   35   13 f   70.015   28.623   16.424   8.2373   12.226   11.615   20.673   11.684   57.626   27.555   66.489   30.384 -8.862633 41.01728 
1 1 1    8   35   14 o   59.650   26.480   11.364   8.1694   30.826   12.061  -5.1310   11.104   78.267   33.476   44.801   22.443 33.46634 40.30308 
1 1 1    8   35   15 o   46.519   22.839   0.5104   9.4753   8.0400   16.874  -2.9575   11.451   52.424   26.446   45.855   22.945 6.568199 35.01208 
1 1 1    8   35   16 o   44.383   22.079  -2.5368   9.9599  -5.5170   17.089  -1.0037   12.257   47.443   24.202   46.920   23.516 0.5237389 33.74467 
1 1 1    8   35   17 o   37.094   18.987 -22.5392   11.366  -4.5950   16.004 -40.8000   16.144   46.700   23.786   38.508   19.855 8.191936 30.98361 
1 1 1    8   35   18 o   45.675   22.408   1.7461   9.0681   0.5430   11.391   3.8280   14.984   46.109   23.044   48.575   24.554 -2.465858 33.67379 
1 1 1    8   35   19 o   57.773   25.987   12.796   8.1474   9.3972   10.675   17.537   12.609   51.049   24.887   55.630   27.104 -4.580666 36.79715 
1 1 1    8   35   20 f   49.892   23.711   7.9545   8.3345   10.809   11.813   5.1253   11.760   50.414   24.895   47.057   23.502 3.356884 34.23653 
1 1 1    8   35   21 o   40.115   20.031  -2.5444   8.5205 -13.9488   12.456   7.4845   11.681   38.971   19.943   47.281   23.584 -8.310505 30.88546 
1 1 1    8   35   22 o   49.427   24.018   11.127   9.7227  -4.2330   16.256   19.683   12.132   42.599   21.868   53.060   26.009 -10.46068 33.98009 
1 1 1    8   36    0 o   60.122   26.607   11.374   8.1861   1.8689   11.733   20.389   11.427   49.625   24.561   66.491   30.253 -16.86612 38.96813 
1 1 1    8   36    1 o  105.098   30.386   30.815   8.7405   35.029   12.380   26.627   12.342   84.558   34.889   71.896   32.188 12.66203 47.46942 
1 1 1    8   36    2 o  105.304   29.993   30.368   8.5762   14.445   11.733   48.636   12.567   59.308   28.171  111.138   37.151 -51.83037 46.62415 
1 1 1    8   36    3 o   44.622   21.671  -0.4645   7.8857  -6.6996   11.304   5.4462   11.006   44.348   22.276   51.719   25.226 -7.371010 33.65392 
1 1 1    8   36    4 o   56.887   25.666   9.5018   8.0178   13.334   11.730   6.1417   10.984   57.903   27.688   52.095   25.364 5.808186 37.54944 
1 1 1    8   36    5 o   51.440   23.942   5.8333   7.7503   11.916   10.639  -1.0456   11.314   57.208   27.072   47.154   23.470 10.05460 35.82914 
1 1 1    8   36    6 o   38.549   19.230  -7.3335   7.7761 -13.5480   11.050  -1.2365   10.945   40.551   20.563   46.575   23.166 -6.023945 30.97618 
1 1 1    8   36    7 o   56.785   25.848   10.225   8.3526   16.840   12.316   4.5907   11.366   59.381   28.388   50.265   24.745 9.115627 37.65869 
1 1 1    8   36    8 o   46.042   22.356   1.3888   8.3794 -10.2100   14.649   7.0291   10.216   44.873   22.846   51.755   25.023 -6.882236 33.88370 
1 1 1    8   36    9 o   48.416   23.410   3.8840   8.9437   2.7920   15.559   4.4229   10.930   49.460   25.003   49.391   24.305 0.6859589E-01 34.86954 
1 1 1    8   36   10 o   50.932   24.153   6.6898   8.5580  -1.0400   12.691   13.136   11.590   46.605   23.436   55.455   26.774 -8.850182 35.58213 
1 1 1    8   36   11 o   50.809   24.452   7.1525   9.4851   2.4530   15.850   9.7743   11.839   48.576   24.632   52.230   25.620 -3.653847 35.54045 
1 1 1    8   36   12 o   57.925   27.704   17.554   11.754   11.990   16.689   23.030   16.558   51.457   25.999   56.070   27.985 -4.612915 38.19863 
1 1 1    8   36   13 o   44.370   22.306  -2.0243   11.457   8.0770   16.768 -10.8700   15.692   49.532   25.140   43.694   22.362 5.837429 33.64590 
1 1 1    8   36   14 o   40.889   20.485  -4.4163   9.2549  -3.1865   12.016  -6.2100   14.511   43.757   22.103   43.991   22.428 -0.2340508 31.48875 
1 1 1    8   36   15 o   38.364   19.204  -5.4937   8.0559   2.4202   11.267 -13.7722   11.523   45.626   22.820   38.867   19.831 6.759174 30.23247 
1 1 1    8   36   16 o   37.610   18.849  -5.6758   7.8721   1.8751   11.129 -13.2362   11.136   44.675   22.393   38.235   19.507 6.440147 29.69840 
1 1 1    8   36   17 o   40.279   20.038  -1.5521   8.2016   1.7039   12.108  -4.3128   11.149   44.166   22.295   41.143   20.841 3.023483 30.51876 
1 1 1    8   36   18 o   41.522   20.544   1.0302   8.1799   12.289   11.875  -9.1365   11.284   48.634   24.180   38.782   19.773 9.851475 31.23550 
1 1 1    8   36   19 o   40.458   20.040   0.8220   7.8695   9.2816   11.375  -6.9446   10.899   46.058   23.020   38.617   19.665 7.441242 30.27584 
1 1 1    8   36   20 o   41.464   20.419   3.2024   7.7615   22.490   10.613 -18.9760   11.380   55.142   26.359   34.718   17.844 20.42416 31.83111 
1 1 1    8   37    0 o   50.553   24.220   8.3530   9.0714   6.5080   15.982   9.2300   11.018   48.347   24.539   50.409   24.725 -2.062363 34.83457 
1 1 1    8   37    1 o   48.450   23.505   6.1854   9.2101   15.750   14.879   0.2439   11.727   52.285   26.161   45.109   22.662 7.176048 34.61190 
1 1 1    8   37    2 o   53.173   25.337   11.394   9.6434   24.480   16.361   4.4281   11.937   55.162   27.576   47.280   23.623 7.882240 36.31058 
1 1 1    8   37    3 o   39.233   19.767  -7.2087   9.2673  -3.9630   15.336  -9.0756   11.631   44.831   22.874   40.908   20.780 3.923199 30.90400 
1 1 1    8   37    4 o   56.154   26.903   16.853   11.191   17.510   16.320   16.270   15.376   51.954   26.183   51.928   26.069 0.2574921E-01 36.94817 
1 1 1    8   37    5 o   51.029   25.021   10.880   11.256   2.5890   15.914   19.180   15.922   46.673   23.767   52.644   26.442 -5.970734 35.55362 
1 1 1    8   37    6 o   44.515   22.295   0.7271   10.929   5.5530   15.502  -4.0430   15.412   47.396   24.067   44.415   22.684 2.980732 33.07291 
1 1 1    8   37    7 o   44.225   22.204   0.3580   11.166   2.1900   16.203  -1.2990   15.410   46.164   23.550   44.997   22.956 1.166847 32.88788 
1 1 1    8   37    8 o   55.515   26.569   16.917   10.853   12.430   16.314   20.480   14.535   49.051   24.885   53.355   26.564 -4.303787 36.39958 
1 1 1    8   37    9 o   45.737   22.859   4.1710   11.213   8.4190   16.086   0.1560   15.639   47.417   24.122   44.920   22.935 2.496845 33.28468 
1 1 1    8   37   10 o   50.758   24.078   9.9484   8.5171  -4.0516   12.214   23.198   11.883   42.044   21.351   58.090   27.802 -16.04630 35.05410 
1 1 1    8   37   11 o   46.465   22.473   6.1271   8.2549  -5.1429   11.963   16.370   11.405   41.169   20.929   52.643   25.677 -11.47400 33.12663 
1 1 1    8   37   12 o   34.071   17.229  -9.2730   7.4217  -1.8130   10.398 -17.0204   10.596   41.269   20.811   35.568   18.216 5.701046 27.65738 
1 1 1    8   37   13 o   39.320   19.573  -1.2980   7.8796  -4.2352   11.604   1.2152   10.734   40.499   20.591   42.443   21.370 -1.944347 29.67602 
1 1 1    8   37   14 o   40.966   20.352   1.2174   8.3445   4.8705   12.090  -2.1056   11.531   43.741   22.104   40.774   20.710 2.967083 30.29006 
1 1 1    8   37   15 o   47.417   22.818   9.5726   8.2554   13.319   12.167   6.3770   11.238   46.886   23.489   43.775   22.018 3.110889 32.19518 
1 1 1    8   37   16 o   42.641   20.892   5.0998   7.8003  -3.8556   10.418   16.527   11.768   38.367   19.507   47.921   23.866 -9.553448 30.82377 
1 1 1    8   37   17 o   40.413   20.061   3.2575   8.0469  -0.1686   11.825   6.2124   10.982   39.603   20.196   42.056   21.230 -2.452682 29.30155 
1 1 1    8   38    0 o   33.951   17.257 -10.7969   8.1052 -11.8410   11.572  -9.7915   11.356   37.509   19.197   37.981   19.404 -0.4723358 27.29562 
1 1 1    8   38    1 o   46.603   22.498   7.8550   8.1774  -5.3381   11.858   19.817   11.292   39.824   20.301   53.096   25.821 -13.27190 32.84568 
1 1 1    8   38    2 o   41.748   20.620   2.3599   8.1202  -7.4543   11.386   12.520   11.584   38.773   19.776   47.756   23.766 -8.982891 30.91845 
1 1 1    8   38    3 o   44.318   21.634   5.5288   8.1413  -5.9943   11.371   17.646   11.661   39.223   19.985   50.785   25.013 -11.56151 32.01584 
1 1 1    8   38    4 f   37.446   18.800  -3.6053   8.0007  -9.6220   11.152   2.7752   11.484   37.731   19.273   42.645   21.549 -4.913528 28.91031 
1 1 1    8   38    5 o   37.679   18.963  -3.7438   8.4027 -19.7909   12.041   11.490   11.732   35.537   18.263   46.659   23.329 -11.12241 29.62703 
1 1 1    8   38    6 o   60.350   27.048   20.517   8.7394   19.327   12.528   21.646   12.197   50.017   24.863   51.892   25.563 -1.875126 35.65964 
1 1 1    8   38    7 o   45.145   21.935   7.2337   8.1037   5.5487   11.786   8.7447   11.161   43.253   21.853   44.902   22.495 -1.648705 31.36214 
1 1 1    8   38    8 o   40.678   20.136   2.2827   7.8964 -10.5279   11.235   14.790   11.101   36.874   18.875   48.073   23.811 -11.19902 30.38443 
1 1 1    8   38    9 o   41.146   20.625   2.8637   9.4441 -13.1400   15.923   11.548   11.730   38.595   19.891   45.305   22.748 -6.709938 30.21742 
1 1 1    8   38   10 o   34.533   17.624 -10.2415   9.1477 -18.3900   16.303  -6.4969   11.051   37.534   19.376   37.479   19.147 0.5466461E-01 27.24076 
1 1 1    8   38   11 o   38.301   19.236  -0.1297   8.4159 -10.2579   11.845   10.196   11.960   36.506   18.735   43.512   21.988 -7.006161 28.88713 
1 1 1    8   38   12 o   37.237   18.698  -0.7405   7.9297   5.6206   10.644  -8.6753   11.888   41.209   20.814   36.564   18.765 4.645283 28.02444 
1 1 1    8   38   13 o   51.360   24.336   17.705   8.6515   14.696   12.106   20.846   12.369   43.966   22.206   46.533   23.364 -2.566521 32.23279 
1 1 1    8   38   14 o   39.256   19.676   4.0532   8.5851   1.7498   12.321   6.2269   11.969   38.565   19.743   39.980   20.382 -1.414398 28.37587 
1 1 1    8   39    0 o   37.176   18.723   0.0561   8.2713   2.5270   12.254  -2.0119   11.210   39.125   20.002   37.479   19.158 1.646313 27.69720 
1 1 1    8   39    1 o   38.830   19.456   2.8495   8.3667  -0.0393   11.940   5.6361   11.727   38.291   19.589   40.154   20.443 -1.863125 28.31357 
1 1 1    8   39    2 o   32.352   16.469  -8.2769   7.5954  -8.6275   10.656  -7.9149   10.829   35.107   18.000   35.428   18.163 -0.3218651 25.57129 
1 1 1    8   39    3 o   39.904   19.808   4.6673   7.8433   3.1394   11.370   6.0544   10.833   39.125   19.939   40.266   20.412 -1.141129 28.53434 
1 1 1    8   39    4 o   41.949   20.806   8.0858   8.5862   17.839   12.575  -0.4327   11.752   44.116   22.323   37.876   19.381 6.240341 29.56252 
1 1 1    8   39    5 o   32.229   16.466  -9.7709   8.1821   3.1831   11.891 -21.4205   11.276   38.845   19.847   32.173   16.588 6.672398 25.86611 
1 1 1    8   39    6 o   43.653   21.456   10.832   8.4352   20.398   11.997   1.4786   11.863   45.200   22.737   38.082   19.486 7.118294 29.94464 
1 1 1    8   39    7 o   38.375   19.203   3.6317   8.0259   3.3889   10.985   3.9097   11.755   38.358   19.552   38.549   19.698 -0.1916656 27.75454 
1 1 1    8   39    8 o   34.431   17.481  -3.1960   8.1563  -6.5998   11.982  -0.2566   11.134   35.374   18.180   36.835   18.850 -1.461098 26.18871 
1 1 1    8   39    9 o   40.563   20.233   8.4964   8.5973  -3.4128   12.466   19.300   11.873   35.963   18.487   43.313   21.890 -7.349621 28.65159 
1 1 1    8   39   10 o   33.423   17.104  -5.9621   9.1615   1.4600   16.195  -9.4551   11.110   36.971   19.094   33.610   17.286 3.361626 25.75641 
1 1 1    8   40    0 o   41.666   20.668   14.383   8.4830   12.478   11.485   16.670   12.584   37.967   19.407   38.651   19.799 -0.6843071 27.72426 
1 1 1    8   40    1 o   34.547   17.559   1.6795   8.3853  -3.8945   11.477   8.0628   12.281   33.556   17.274   36.453   18.727 -2.896992 25.47729 
1 1 1    8   40    2 o   35.143   17.857   3.0922   8.6323   6.9082   12.093  -0.8721   12.326   36.130   18.562   34.343   17.690 1.787540 25.64149 
1 1 1    8   40    3 o   35.853   18.177   4.8773   8.6060   0.3918   12.308   9.1680   12.038   34.509   17.771   36.608   18.794 -2.098522 25.86510 
1 1 1    8   40    4 o   31.736   16.255  -4.8967   8.4611 -12.6021   12.317   1.9882   11.643   31.894   16.478   34.671   17.825 -2.776142 24.27456 
1 1 1    9    0    0 o  590.762   12.472  453.111   19.067  453.111   19.067  453.111   19.067  590.762   12.472  590.762   12.472 0.000000 0.000000 
1 1 1    9    0    1 o  332.193   11.031  143.516   9.4678  143.516   9.4678  143.516   9.4678  332.193   11.031  332.193   11.031 0.000000 0.000000 
1 1 1    9    0    2 o  828.630   14.445  891.350   30.983  891.350   30.983  891.350   30.983  828.630   14.445  828.630   14.445 0.000000 0.000000 
1 1 1    9    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0    4 o  572.645   12.211  425.680   18.094  425.680   18.094  425.680   18.094  572.645   12.211  572.645   12.211 0.000000 0.000000 
1 1 1    9    0    5 o  211.332   10.916   58.345   5.9394   58.345   5.9394   58.345   5.9394  211.332   10.916  211.332   10.916 0.000000 0.000000 
1 1 1    9    0    6 o  260.595   10.965   88.479   7.3721   88.479   7.3721   88.479   7.3721  260.595   10.965  260.595   10.965 0.000000 0.000000 
1 1 1    9    0    7 o  990.641   16.076  1273.82   41.228  1273.82   41.228  1273.82   41.228  990.641   16.076  990.641   16.076 0.000000 0.000000 
1 1 1    9    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0    9 o  283.814   11.965  104.958   8.7608  104.958   8.7608  104.958   8.7608  283.814   11.965  283.814   11.965 0.000000 0.000000 
1 1 1    9    0   10 o   16.723   12.126  -5.8779   2.8561  -5.8779   2.8561  -5.8779   2.8561   16.723   12.126   16.723   12.126 0.000000 0.000000 
1 1 1    9    0   11 o  470.877   12.299  287.989   14.978  287.989   14.978  287.989   14.978  470.877   12.299  470.877   12.299 0.000000 0.000000 
1 1 1    9    0   12 o  213.076   12.962   59.507   7.0934   59.507   7.0934   59.507   7.0934  213.076   12.962  213.076   12.962 0.000000 0.000000 
1 1 1    9    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   14 o  798.528   14.479  827.780   29.926  827.780   29.926  827.780   29.926  798.528   14.479  798.528   14.479 0.000000 0.000000 
1 1 1    9    0   15 o  709.529   13.795  653.628   25.333  653.628   25.333  653.628   25.333  709.529   13.795  709.529   13.795 0.000000 0.000000 
1 1 1    9    0   16 o  340.023   12.444  150.517   10.927  150.517   10.927  150.517   10.927  340.023   12.444  340.023   12.444 0.000000 0.000000 
1 1 1    9    0   17 o  1064.41   17.114  1472.13   47.159  1472.13   47.159  1472.13   47.159  1064.41   17.114  1064.41   17.114 0.000000 0.000000 
1 1 1    9    0   18 o  216.074   14.974   61.459   8.2885   61.459   8.2885   61.459   8.2885  216.074   14.974  216.074   14.974 0.000000 0.000000 
1 1 1    9    0   19 o  552.008   13.143  396.032   18.768  396.032   18.768  396.032   18.768  552.008   13.143  552.008   13.143 0.000000 0.000000 
1 1 1    9    0   20 o   81.078   33.405   12.041   6.9488   12.041   6.9488   12.041   6.9488   81.078   33.405   81.078   33.405 0.000000 0.000000 
1 1 1    9    0   21 o   92.902   30.326   14.349   6.4629   14.349   6.4629   14.349   6.4629   92.902   30.326   92.902   30.326 0.000000 0.000000 
1 1 1    9    0   22 o   71.840   33.013   9.8695   6.7299   9.8695   6.7299   9.8695   6.7299   71.840   33.013   71.840   33.013 0.000000 0.000000 
1 1 1    9    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   24 o  265.609   14.723   92.645   10.058   92.645   10.058   92.645   10.058  265.609   14.723  265.609   14.723 0.000000 0.000000 
1 1 1    9    0   25 o   94.057   31.816   15.052   6.9372   15.052   6.9372   15.052   6.9372   94.057   31.816   94.057   31.816 0.000000 0.000000 
1 1 1    9    0   26 o  368.058   13.407  177.166   12.744  177.166   12.744  177.166   12.744  368.058   13.407  368.058   13.407 0.000000 0.000000 
1 1 1    9    0   27 o   43.144   27.082   1.4749   6.3056   1.4749   6.3056   1.4749   6.3056   43.144   27.082   43.144   27.082 0.000000 0.000000 
1 1 1    9    0   28 o  161.553   19.529   35.785   7.8552   35.785   7.8552   35.785   7.8552  161.553   19.529  161.553   19.529 0.000000 0.000000 
1 1 1    9    0   29 o  309.257   14.521  125.985   11.574  125.985   11.574  125.985   11.574  309.257   14.521  309.257   14.521 0.000000 0.000000 
1 1 1    9    0   30 o  184.610   18.156   46.208   8.4892   46.208   8.4892   46.208   8.4892  184.610   18.156  184.610   18.156 0.000000 0.000000 
1 1 1    9    0   31 f  574.029   14.073  433.147   20.897  433.147   20.897  433.147   20.897  574.029   14.073  574.029   14.073 0.000000 0.000000 
1 1 1    9    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   33 o   41.036   27.288  -1.2983   7.7712  -1.2983   7.7712  -1.2983   7.7712   41.036   27.288   41.036   27.288 0.000000 0.000000 
1 1 1    9    0   34 o  361.283   14.733  173.732   13.735  173.732   13.735  173.732   13.735  361.283   14.733  361.283   14.733 0.000000 0.000000 
1 1 1    9    0   35 o  356.023   14.956  169.399   13.737  169.399   13.737  169.399   13.737  356.023   14.956  356.023   14.956 0.000000 0.000000 
1 1 1    9    0   36 o   54.671   32.536   5.8036   8.0740   5.8036   8.0740   5.8036   8.0740   54.671   32.536   54.671   32.536 0.000000 0.000000 
1 1 1    9    0   37 o  207.127   20.385   60.496   10.694   60.496   10.694   60.496   10.694  207.127   20.385  207.127   20.385 0.000000 0.000000 
1 1 1    9    0   38 o  271.322   17.713  101.609   12.327  101.609   12.327  101.609   12.327  271.322   17.713  271.322   17.713 0.000000 0.000000 
1 1 1    9    0   39 o   47.335   30.831   2.2856   9.1563   2.2856   9.1563   2.2856   9.1563   47.335   30.831   47.335   30.831 0.000000 0.000000 
1 1 1    9    0   40 o   73.949   38.517   14.406   9.6186   14.406   9.6186   14.406   9.6186   73.949   38.517   73.949   38.517 0.000000 0.000000 
1 1 1    9    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   42 o  106.860   41.583   27.157   10.973   27.157   10.973   27.157   10.973  106.860   41.583  106.860   41.583 0.000000 0.000000 
1 1 1    9    0   43 o   83.748   41.771   21.177   11.023   21.177   11.023   21.177   11.023   83.748   41.771   83.748   41.771 0.000000 0.000000 
1 1 1    9    0   44 o   55.093   37.057   10.140   15.079   10.140   15.079   10.140   15.079   55.093   37.057   55.093   37.057 0.000000 0.000000 
1 1 1    9    0   45 o  158.245   35.705   50.818   12.768   50.818   12.768   50.818   12.768  158.245   35.705  158.245   35.705 0.000000 0.000000 
1 1 1    9    1    0 o  226.220   7.9863   66.336   4.6798   68.585   6.5953   64.055   6.6414  229.935   11.073  221.892   11.595 8.042801 16.03333 
1 1 1    9    1    1 o  259.672   7.7232   87.399   5.1949   91.582   7.3628   83.252   7.3306  265.720   10.697  253.331   11.171 12.38885 15.46688 
1 1 1    9    1    2 o  409.424   7.9382  217.273   8.4187  221.110   11.952  213.494   11.860  412.865   11.176  405.686   11.286 7.179077 15.88345 
1 1 1    9    1    3 o  344.570   11.216  154.000   10.011  154.200   14.166  153.800   14.148  344.537   15.874  344.090   15.874 0.4471741 22.44888 
1 1 1    9    1    4 o  243.614   11.378   76.977   7.1796   87.580   10.411   67.360   9.9144  259.222   15.577  227.057   16.980 32.16492 23.04247 
1 1 1    9    1    5 o  336.522   7.6742  146.764   6.6896  138.531   9.1831  156.072   9.7645  326.844   10.847  346.920   10.866 -20.07611 15.35329 
1 1 1    9    1    6 o  749.293   13.691  728.541   26.572  728.541   26.572   0.0000   0.0000  749.293   13.691  ?   ?  0.000000 13.69067 
1 1 1    9    1    7 o  260.430   7.9352   87.896   5.3530   82.914   7.3732   93.449   7.7841  252.862   11.257  268.448   11.194 -15.58615 15.87551 
1 1 1    9    1    8 o  985.090   11.377  1258.36   29.030  1271.62   41.302  1245.41   40.813  989.656   16.112  979.410   16.087 10.24646 22.76793 
1 1 1    9    1    9 o  263.844   8.1381   90.216   5.5619   90.780   10.736   90.009   6.5024  263.975   15.774  263.511   9.5262 0.4642029 18.42730 
1 1 1    9    1   10 o  280.572   8.5208  102.023   6.1926   92.520   11.716  105.707   7.2949  266.374   17.070  285.560   9.8621 -19.18610 19.71436 
1 1 1    9    1   11 o  245.857   12.715   78.613   8.0696   0.0000   0.0000   78.613   8.0696  ?   ?   245.857   12.715 0.000000 12.71469 
1 1 1    9    1   12 o  598.464   10.513  464.363   16.297  452.673   19.776  489.100   28.768  590.723   12.924  613.557   18.101 -22.83466 22.24142 
1 1 1    9    1   13 o   91.865   21.970   11.424   5.1574   16.260   7.3888   6.8290   7.2020  109.490   26.367   78.411   28.025 31.07915 38.47857 
1 1 1    9    1   14 o  170.282   9.9999   37.724   4.3914   43.656   6.1474   31.543   6.2753  182.964   13.057  155.047   15.848 27.91628 20.53372 
1 1 1    9    1   15 o  873.670   10.742  989.908   24.310  997.445   34.569  982.534   34.194  876.401   15.228  869.833   15.176 6.567932 21.49863 
1 1 1    9    1   16 o  1029.40   11.823  1374.83   31.526  1370.98   44.503  1378.71   44.667  1027.06   16.728  1029.95   16.742 -2.888428 23.66702 
1 1 1    9    1   17 o  201.405   10.224   52.746   5.3165   47.464   7.6287   57.734   7.4132  190.490   15.597  210.424   13.675 -19.93401 20.74317 
1 1 1    9    1   18 o  768.585   10.213  766.255   20.333  756.493   28.580  776.259   28.933  763.083   14.459  772.990   14.450 -9.906433 20.44197 
1 1 1    9    1   19 o  129.415   14.671   22.044   4.8312   19.457   6.7750   24.721   6.8912  120.147   22.599  136.271   20.129 -16.12359 30.26327 
1 1 1    9    1   20 o  463.677   9.1538  278.874   10.994  273.183   15.411  284.774   15.690  458.571   12.974  468.203   12.937 -9.631561 18.32154 
1 1 1    9    1   21 o  368.505   9.2639  176.182   8.8428  163.500   12.267  189.903   12.759  354.661   13.353  382.274   12.885 -27.61292 18.55580 
1 1 1    9    1   22 o  233.587   12.248   71.105   7.3849   61.614   9.1500   88.840   12.508  216.827   16.413  260.201   18.682 -43.37337 24.86741 
1 1 1    9    1   23 o  103.697   34.483   13.740   10.830   0.0000   0.0000   13.740   10.830  ?   ?   103.697   34.483 0.000000 34.48273 
1 1 1    9    1   24 o   72.539   22.464   6.9062   4.6546   11.181   6.7111   2.9433   6.4613   91.044   26.714   64.607   25.725 26.43739 37.08624 
1 1 1    9    1   25 o  137.522   14.860   24.979   5.2094   26.448   7.5386   23.637   7.2070  140.163   21.446  132.264   21.795 7.897919 30.57708 
1 1 1    9    1   26 o  180.342   12.435   42.609   5.7733   44.451   8.3320   40.908   8.0071  183.150   17.787  175.616   17.850 7.534027 25.19932 
1 1 1    9    1   27 o  117.798   17.056   18.600   5.0529   8.3809   7.2129   28.448   7.0808   81.872   28.138  145.640   19.240 -63.76826 34.08760 
1 1 1    9    1   28 o  361.453   9.6717  170.127   9.0553  173.918   12.914  166.461   12.701  364.474   13.679  356.555   13.751 7.918762 19.39640 
1 1 1    9    1   29 o  225.117   11.427   66.353   6.6414   69.372   9.5462   63.522   9.2458  228.964   16.200  218.986   16.419 9.977798 23.06609 
1 1 1    9    1   30 o  166.141   13.544   36.453   5.7778   35.718   8.3800   37.118   7.9770  162.508   20.354  166.188   18.865 -3.679352 27.75199 
1 1 1    9    1   31 o  182.912   13.089   44.151   6.1605   47.740   8.8564   40.786   8.5749  188.600   18.361  173.845   19.372 14.75439 26.69080 
1 1 1    9    1   32 o   79.378   31.455   5.9140   9.6176   0.0000   0.0000   5.9140   9.6176  ?   ?    79.378   31.455 0.000000 31.45464 
1 1 1    9    1   33 o  135.606   17.364   24.936   5.9592   24.875   8.4623   24.996   8.3933  132.175   25.642  132.631   25.355 -0.4562988 36.06070 
1 1 1    9    1   34 o  178.734   14.647   42.697   6.7215   41.793   9.8401   43.487   9.2031  173.314   22.446  177.909   20.336 -4.595123 30.28808 
1 1 1    9    1   35 o  100.612   22.753   14.494   5.7909   35.256   8.5385  -3.1899   7.8802  159.156   21.242   55.635   25.240 103.5211 32.98896 
1 1 1    9    1   36 f   79.736   25.188   9.0382   5.8209   8.9155   8.2766   9.1584   8.1880   82.079   29.946   82.611   29.840 -0.5316620 42.27523 
1 1 1    9    1   37 o  205.308   14.557   56.674   7.6912   47.997   10.673   66.049   11.094  183.982   22.890  218.408   19.825 -34.42645 30.28152 
1 1 1    9    1   38 o  114.044   23.263   18.955   6.6393   17.388   9.4117   20.508   9.3674  105.163   31.826  114.467   30.881 -9.303970 44.34563 
1 1 1    9    1   39 o  271.483   12.651   98.465   8.8965  106.399   12.696   90.810   12.471  277.682   17.743  255.324   18.992 22.35779 25.99051 
1 1 1    9    1   40 o   99.607   26.864   15.430   7.0902   15.412   10.167   15.446   9.8926   96.960   33.403   97.141   32.960 -0.1803284 46.92632 
1 1 1    9    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    1   42 o   64.416   26.683   4.0193   7.2818  -3.5839   10.037   12.468   10.581   59.254   27.465   87.510   33.462 -28.25565 43.29020 
1 1 1    9    1   43 o   80.411   28.512   10.315   7.4405   3.4525   10.881   16.341   10.197   70.158   30.879   95.706   33.425 -25.54777 45.50537 
1 1 1    9    1   44 o   55.727   25.507  -1.6370   8.2791   4.2080   13.504  -5.1571   10.480   74.116   33.386   57.402   27.073 16.71358 42.98336 
1 1 1    9    1   45 o   77.450   29.599   10.006   8.2755   12.387   10.126   5.2200   14.359   83.077   32.473   74.592   33.929 8.484131 46.96502 
1 1 1    9    2    0 o  477.085   8.3257  295.052   10.289  298.380   14.614  291.780   14.488  479.557   11.764  474.221   11.795 5.335876 16.65892 
1 1 1    9    2    1 o  291.103   11.094  109.921   8.3652   0.0000   0.0000  109.921   8.3652  ?   ?   291.103   11.094 0.000000 11.09376 
1 1 1    9    2    2 o   81.305   20.065   8.9440   4.1999   6.4480   5.9337   11.450   5.9455   73.908   25.515   92.085   24.498 -18.17773 35.37136 
1 1 1    9    2    3 o  637.565   12.999  527.500   21.468  526.500   30.367  528.500   30.353  636.331   18.423  637.544   18.380 -1.213318 26.02401 
1 1 1    9    2    4 o  311.602   11.565  125.940   9.3347  124.900   13.137  127.000   13.266  309.647   16.438  312.243   16.461 -2.596649 23.26273 
1 1 1    9    2    5 o  431.790   11.858  241.829   13.263  254.100   19.100  230.400   18.432  442.290   16.671  421.142   16.896 21.14783 23.73628 
1 1 1    9    2    6 o  332.264   7.8318  143.073   6.7406  145.363   9.2946  140.533   9.7899  334.822   10.717  329.184   11.481 5.637726 15.70576 
1 1 1    9    2    7 o  723.035   9.6163  677.689   18.010  695.767   25.692  660.224   25.254  732.291   13.545  713.330   13.667 18.96112 19.24204 
1 1 1    9    2    8 o  390.059   8.1073  197.175   8.1914  212.400   16.352  192.074   9.4645  404.499   15.606  384.936   9.4921 19.56232 18.26628 
1 1 1    9    2    9 o  553.305   8.8371  396.795   12.666  413.600   25.445  391.260   14.603  564.309   17.407  549.363   10.262 14.94653 20.20699 
1 1 1    9    2   10 o  264.543   8.8124   90.704   6.0387   90.030   11.912   90.937   7.0055  262.690   17.608  264.850   10.212 -2.160004 20.35521 
1 1 1    9    2   11 o  612.371   10.910  486.222   17.305  472.700   29.038  493.669   21.550  603.155   18.586  616.860   13.487 -13.70587 22.96401 
1 1 1    9    2   12 o  364.030   11.938  171.869   11.257  162.600   16.070  180.800   15.774  353.795   17.535  373.145   16.320 -19.34967 23.95455 
1 1 1    9    2   13 o  561.723   10.317  409.109   15.011  388.500   25.510  420.026   18.566  546.780   18.011  569.016   12.597 -22.23566 21.97905 
1 1 1    9    2   14 o   39.688   17.751  -1.6662   3.7433   0.0134   4.5598  -5.1380   6.5557   48.705   20.701   48.696   22.439 0.8899689E-02 30.52906 
1 1 1    9    2   15 o  932.269   11.144  1127.29   26.911  1108.46   37.626  1147.01   38.506  923.785   15.724  939.694   15.819 -15.90887 22.30466 
1 1 1    9    2   16 o  220.845   9.8080   63.245   5.6107   63.926   8.1227   62.622   7.7593  221.429   14.237  219.200   13.735 2.228668 19.78254 
1 1 1    9    2   17 o  496.723   9.0513  319.916   11.646  317.349   16.444  322.500   16.496  494.445   12.839  498.447   12.777 -4.001831 18.11300 
1 1 1    9    2   18 o  861.492   10.804  962.902   24.109  950.412   33.866  975.736   34.330  855.137   15.289  866.454   15.296 -11.31635 21.62696 
1 1 1    9    2   19 o  552.125   9.3654  395.389   13.394  404.324   19.265  387.029   18.635  557.914   13.331  545.870   13.179 12.04480 18.74562 
1 1 1    9    2   20 o  719.856   10.099  672.392   18.830  670.278   26.670  674.493   26.590  718.042   14.339  720.313   14.251 -2.270874 20.21647 
1 1 1    9    2   21 o  684.300   9.9683  607.718   17.669  612.283   25.106  603.238   24.872  686.158   14.125  681.076   14.098 5.081726 19.95700 
1 1 1    9    2   22 o  227.251   15.899   67.607   9.3002   68.290   13.618   67.010   12.732  226.985   23.502  225.123   22.118 1.862274 32.27360 
1 1 1    9    2   23 o  561.166   13.479  409.881   19.593  396.600   27.113  424.400   28.347  550.653   19.008  569.565   19.214 -18.91162 27.02758 
1 1 1    9    2   24 o   97.901   19.833   13.012   4.8570   15.856   7.0539   10.449   6.6977  107.410   25.698   88.469   26.865 18.94101 37.17663 
1 1 1    9    2   25 o  207.882   11.792   56.447   6.3236   56.321   9.2809   56.556   8.6394  206.605   17.507  207.308   16.218 -0.7031403 23.86419 
1 1 1    9    2   26 o  129.879   16.046   22.424   5.2834   23.732   7.7156   21.268   7.2499  131.906   23.441  124.743   23.294 7.162491 33.04637 
1 1 1    9    2   27 f  147.838   14.349   28.870   5.4256   33.604   7.7596   24.342   7.5891  158.445   19.306  133.591   22.746 24.85367 29.83456 
1 1 1    9    2   28 o  115.318   17.907   17.936   5.1755   11.594   7.4086   23.981   7.2331   92.138   28.309  132.641   21.810 -40.50271 35.73610 
1 1 1    9    2   29 o  110.843   18.864   16.702   5.2221   11.446   7.6155   21.366   7.1744   91.611   28.793  124.489   23.099 -32.87814 36.91375 
1 1 1    9    2   30 o  218.287   11.831   62.520   6.6648   57.894   9.7325   66.605   9.1457  208.178   18.232  224.199   15.850 -16.02083 24.15883 
1 1 1    9    2   31 o  153.481   14.914   31.344   5.8545   32.674   8.3388   30.051   8.2215  154.651   21.389  147.938   22.135 6.713150 30.78041 
1 1 1    9    2   32 o  232.053   23.294   73.910   13.813   0.0000   0.0000   73.910   13.813  ?   ?   232.053   23.294 0.000000 23.29373 
1 1 1    9    2   33 o  256.904   13.706   87.437   9.0877   90.500   11.102   81.220   15.820  260.049   16.568  240.908   25.750 19.14104 30.62008 
1 1 1    9    2   34 o  219.089   12.733   63.586   7.1949   66.735   10.304   60.590   10.051  222.004   18.076  211.227   18.558 10.77676 25.90607 
1 1 1    9    2   35 o   53.752   22.804   0.8235   5.5166 -10.5391   7.8466   11.929   7.7575   46.092   22.197   90.762   29.121 -44.67019 36.61584 
1 1 1    9    2   36 o  223.950   12.944   66.745   7.4769   59.132   10.558   74.404   10.590  206.976   19.940  233.887   17.609 -26.91174 26.60220 
1 1 1    9    2   37 o   97.011   25.151   13.896   6.3727   7.7167   9.1775   19.649   8.8558   79.963   31.009  113.316   29.781 -33.35232 42.99358 
1 1 1    9    2   38 o  356.884   11.319  168.700   10.464  168.871   15.018  168.539   14.588  352.755   16.435  352.868   15.960 -0.1125488 22.90973 
1 1 1    9    2   39 o  192.232   16.070   50.608   7.9284   57.911   11.378   43.715   11.054  200.951   22.230  171.694   25.641 29.25688 33.93606 
1 1 1    9    2   40 o   78.746   27.877   9.1032   7.1100   16.223   10.272   2.5551   9.8512   98.923   33.586   68.864   29.859 30.05980 44.93980 
1 1 1    9    2   41 o   97.509   33.803   16.205   10.420   0.0000   0.0000   16.205   10.420  ?   ?    97.509   33.803 0.000000 33.80341 
1 1 1    9    2   42 o  117.346   25.298   21.439   7.4633   5.5907   10.398   38.282   10.719   73.560   31.262  155.537   27.617 -81.97611 41.71368 
1 1 1    9    2   43 o  203.886   19.047   59.925   9.9425   69.070   17.381   55.478   12.122  197.212   35.321  189.067   25.393 8.144760 43.50185 
1 1 1    9    2   44 o   59.019   25.983   1.4268   7.7078   19.860   11.487 -13.6700   10.396  101.050   35.465   49.412   24.190 51.63778 42.92903 
1 1 1    9    2   45 o   73.286   29.840   8.1125   8.9072   0.7314   11.163   21.050   14.778   64.606   29.588   96.905   38.798 -32.29949 48.79256 
1 1 1    9    3    0 o  406.527   9.5670  214.282   10.074  226.900   18.387  208.869   12.043  417.823   16.989  401.255   11.587 16.56726 20.56410 
1 1 1    9    3    1 o  279.074   12.351  101.054   8.9286  103.400   12.630   98.710   12.624  281.509   17.405  274.977   17.820 6.531952 24.90978 
1 1 1    9    3    2 o  287.531   12.029  107.257   8.9588  120.600   12.848   94.630   12.498  304.237   16.364  269.195   18.028 35.04111 24.34725 
1 1 1    9    3    3 o  213.496   12.961   59.362   7.1340   58.100   10.058   60.640   10.120  210.575   18.631  215.202   18.330 -4.627151 26.13656 
1 1 1    9    3    4 o  663.604   13.352  571.443   22.950  573.800   32.506  569.100   32.408  664.334   18.890  661.605   18.911 2.729187 26.72878 
1 1 1    9    3    5 o  316.698   12.001  130.094   9.8450  129.600   13.847  130.600   14.000  315.403   17.012  316.609   17.135 -1.205414 24.14539 
1 1 1    9    3    6 o  748.162   9.8168  725.653   19.025  726.188   21.887  724.000   38.479  748.322   11.291  746.195   19.908 2.127014 22.88681 
1 1 1    9    3    7 o  621.075   9.0464  499.980   14.554  472.200   27.907  510.357   17.057  602.883   17.871  627.401   10.495 -24.51849 20.72458 
1 1 1    9    3    8 o  788.841   10.075  806.707   20.587  834.700   41.736  797.706   23.666  801.265   20.109  784.301   11.649 16.96448 23.23923 
1 1 1    9    3    9 o  302.767   9.3169  118.820   7.3069  115.800   12.775  120.288   8.9079  298.172   16.606  304.574   11.291 -6.402435 20.08080 
1 1 1    9    3   10 o  248.888   10.903   80.318   7.0293   88.670   11.935   75.882   8.6978  260.668   17.783  241.430   13.968 19.23808 22.61261 
1 1 1    9    3   11 o  264.254   12.439   90.574   8.5142   97.040   12.883   85.560   11.345  272.677   18.347  256.091   17.202 16.58646 25.14989 
1 1 1    9    3   12 o  729.826   9.9887  690.540   18.883  654.600   36.171  704.004   22.140  709.570   19.680  736.780   11.601 -27.21002 22.84442 
1 1 1    9    3   13 o  256.795   10.942   85.514   7.2782   0.0000   0.0000   85.514   7.2782  ?   ?   256.795   10.942 0.000000 10.94184 
1 1 1    9    3   14 o  921.308   12.777  1101.34   30.491  1094.67   37.199  1115.00   53.227  918.096   15.642  925.301   22.207 -7.204834 27.16328 
1 1 1    9    3   15 o  486.625   8.8769  306.986   11.189  304.506   15.969  309.379   15.683  484.414   12.726  488.299   12.399 -3.885162 17.76821 
1 1 1    9    3   16 o  294.258   9.0420  112.262   6.8919  114.068   9.9750  110.613   9.5333  296.448   12.990  291.943   12.606 4.505402 18.10160 
1 1 1    9    3   17 o  387.494   8.8909  194.685   8.9240  187.039   12.629  202.309   12.612  379.580   12.845  394.806   12.332 -15.22672 17.80646 
1 1 1    9    3   18 o  428.666   9.1641  238.297   10.176  232.001   14.497  244.411   14.286  422.669   13.241  433.872   12.711 -11.20291 18.35522 
1 1 1    9    3   19 o  261.965   10.020   89.032   6.7994   98.935   10.086   80.781   9.2060  275.556   14.178  248.901   14.340 26.65517 20.16549 
1 1 1    9    3   20 o  355.928   9.4096  164.349   8.6753  174.712   12.621  155.068   11.944  366.676   13.289  345.442   13.348 21.23364 18.83512 
1 1 1    9    3   21 o  479.399   13.097  298.737   16.264   0.0000   0.0000  298.737   16.264  ?   ?   479.399   13.097 0.000000 13.09732 
1 1 1    9    3   22 o  481.490   13.435  301.571   16.756  303.400   24.650  300.000   22.845  481.730   19.755  479.321   18.400 2.409363 26.99627 
1 1 1    9    3   23 o  160.225   19.362   34.071   7.8729   55.020   10.937   11.540   11.342  203.807   21.018   98.986   35.191 104.8214 40.99005 
1 1 1    9    3   24 o  114.769   18.030   17.647   5.1832   17.749   7.7565   17.565   6.9672  113.506   26.809  113.237   24.467 0.2687073 36.29580 
1 1 1    9    3   25 o  342.286   9.7922  152.315   8.6820  153.809   12.644  150.983   11.942  343.241   14.221  340.198   13.552 3.043732 19.64448 
1 1 1    9    3   26 o  232.290   11.203   70.291   6.7408   65.855   9.7389   74.369   9.3393  223.395   16.957  237.880   15.237 -14.48575 22.79675 
1 1 1    9    3   27 o  478.841   9.5790  298.416   11.881  291.268   16.918  305.373   16.690  471.822   13.842  483.288   13.332 -11.46628 19.21855 
1 1 1    9    3   28 o  279.720   10.457  101.999   7.5766  115.969   11.129   89.932   10.344  297.384   14.448  261.243   15.353 36.14127 21.08186 
1 1 1    9    3   29 o   71.251   23.047   6.6578   4.8514   5.0229   7.2534   7.9813   6.5261   71.873   27.652   78.922   26.770 -7.049042 38.48788 
1 1 1    9    3   30 o  261.013   10.879   89.012   7.3555   80.809   10.537   96.810   10.273  246.754   16.581  270.853   14.697 -24.09943 22.15742 
1 1 1    9    3   31 o  293.568   12.153  113.006   9.2416  118.774   11.715  103.500   15.038  299.594   15.145  276.822   21.132 22.77225 25.99857 
1 1 1    9    3   32 o  103.337   28.314   15.391   7.8031   0.0000   0.0000   15.391   7.8031  ?   ?   103.337   28.314 0.000000 28.31359 
1 1 1    9    3   33 o  113.852   24.257   18.449   6.9348   21.396   8.4590   12.410   12.110  121.491   27.518   97.213   36.094 24.27772 45.38752 
1 1 1    9    3   34 o   71.020   24.754   6.5316   5.5915   9.0152   8.0301   4.1940   7.7905   82.751   29.590   69.792   28.089 12.95857 40.79890 
1 1 1    9    3   35 o  162.848   15.804   35.806   6.5827   32.528   9.5123   38.819   9.1188  150.542   25.290  166.804   21.613 -16.26173 33.26744 
1 1 1    9    3   36 o   88.892   24.718   11.520   5.8979   7.7346   8.5692   14.927   8.1300   79.373   30.170   99.674   29.447 -20.30074 42.15886 
1 1 1    9    3   37 o  105.607   23.960   16.306   6.4039   23.571   9.2993   9.7542   8.8317  124.438   29.330   84.369   30.911 40.06829 42.61136 
1 1 1    9    3   38 o  108.536   25.004   17.518   6.8851   13.581   9.9669   21.111   9.5222   94.334   33.039  115.815   31.089 -21.48148 45.36665 
1 1 1    9    3   39 o  320.467   12.103  136.950   10.047  139.786   14.443  134.292   13.984  318.330   17.584  312.239   17.358 6.090851 24.70866 
1 1 1    9    3   40 o   88.867   29.905   12.424   8.1431   6.9015   10.352   21.390   13.189   77.572   31.943  109.325   38.023 -31.75327 49.65965 
1 1 1    9    3   41 o   69.177   29.844   3.3960   9.7420   0.0000   0.0000   3.3960   9.7420  ?   ?    69.177   29.844 0.000000 29.84407 
1 1 1    9    3   42 o   82.380   29.565   10.766   8.0237   13.490   13.829   9.3837   9.8513   90.371   37.033   80.099   31.805 10.27200 48.81549 
1 1 1    9    3   43 o   88.078   30.597   13.150   8.5394   19.520   14.164   9.5126   10.704   99.465   38.536   80.103   32.674 19.36268 50.52353 
1 1 1    9    3   44 o   78.189   28.552   9.9437   7.5263   8.1471   10.611   11.763   10.677   76.174   31.934   83.202   33.087 -7.028015 45.98374 
1 1 1    9    3   45 o   64.333   27.005   4.7657   7.6047   11.237   10.662  -1.9360   10.850   80.351   32.674   60.661   28.265 19.68998 43.20333 
1 1 1    9    4    0 o  346.033   8.1990  155.202   7.3490  149.600   15.648  156.787   8.3242  338.761   17.896  347.758   9.2409 -8.997101 20.14076 
1 1 1    9    4    1 o  571.396   8.8259  423.238   13.063  458.100   27.931  413.477   14.779  593.604   18.165  564.690   10.104 28.91302 20.78598 
1 1 1    9    4    2 o  167.970   15.020   36.924   6.4660   37.380   9.0563   36.450   9.2350  168.145   21.269  165.878   22.039 2.266541 30.62778 
1 1 1    9    4    3 o  331.840   12.232  142.850   10.514  142.100   14.869  143.600   14.869  330.235   17.444  331.988   17.351 -1.753876 24.60382 
1 1 1    9    4    4 o  841.689   14.932  919.687   32.556  942.100   46.817  898.700   45.303  850.867   21.242  831.073   21.044 19.79333 29.90120 
1 1 1    9    4    5 o  516.287   12.619  345.785   16.876  342.700   23.809  348.900   23.925  513.559   17.898  518.191   17.824 -4.631653 25.25930 
1 1 1    9    4    6 o  621.362   9.1140  500.456   14.669  489.675   20.551  511.654   20.945  614.378   12.914  628.018   12.875 -13.63989 18.23551 
1 1 1    9    4    7 o  341.884   8.3001  151.483   7.3504  155.596   10.559  147.617   10.238  346.378   11.769  337.381   11.715 8.996704 16.60578 
1 1 1    9    4    8 o  206.954   8.7745   55.512   4.7038   61.940   9.4598   53.400   5.4215  217.742   16.905  202.686   10.361 15.05551 19.82721 
1 1 1    9    4    9 o  297.883   11.586  115.069   8.9395  106.200   13.055  122.900   12.267  285.384   17.748  307.315   15.459 -21.93124 23.53653 
1 1 1    9    4   10 o  428.097   9.9573  237.582   11.042  236.600   19.305  238.060   13.461  426.795   17.463  428.430   12.129 -1.634949 21.26176 
1 1 1    9    4   11 o  1015.54   11.772  1337.54   30.968  1320.00   60.938  1343.64   35.958  1006.87   23.365  1017.62   13.641 -10.75323 27.05557 
1 1 1    9    4   12 f  274.060   9.4097   97.365   6.6799  103.700   13.570   95.339   7.6740  281.847   18.694  271.151   10.926 10.69592 21.65280 
1 1 1    9    4   13 o  376.229   10.377  183.540   10.113   0.0000   0.0000  183.540   10.113  ?   ?   376.229   10.377 0.000000 10.37699 
1 1 1    9    4   14 o  234.654   12.453   71.642   7.5423   57.860   12.159   80.263   9.6159  209.525   22.770  248.166   15.030 -38.64140 27.28266 
1 1 1    9    4   15 f  116.040   17.061   17.873   4.9751   27.280   9.9900   14.771   5.7371  142.005   28.153  104.552   21.886 37.45270 35.65982 
1 1 1    9    4   16 o  1032.59   11.896  1383.56   31.817  1360.67   44.511  1407.48   45.498  1023.06   16.797  1040.49   16.881 -17.42944 23.81388 
1 1 1    9    4   17 o  976.863   11.547  1238.30   29.218  1269.65   42.187  1209.40   40.506  988.162   16.482  964.494   16.213 23.66791 23.11953 
1 1 1    9    4   18 o  183.452   11.448   43.847   5.4127   43.491   8.0063   44.147   7.3457  182.024   17.184  183.618   15.592 -1.593842 23.20326 
1 1 1    9    4   19 o  659.672   9.8002  564.554   16.746  557.929   23.735  571.121   23.631  655.221   13.985  662.958   13.761 -7.736633 19.61953 
1 1 1    9    4   20 o  222.972   11.036   64.543   6.3739   62.545   9.2770   66.330   8.7722  218.562   16.508  225.303   15.119 -6.741028 22.38521 
1 1 1    9    4   21 o  163.960   20.089   35.636   8.3534   21.750   12.551   46.680   11.193  126.269   36.384  187.285   23.596 -61.01618 43.36559 
1 1 1    9    4   22 o  345.461   9.9272  154.952   8.8833  157.800   13.004  152.459   12.164  348.144   14.420  342.286   13.720 5.857513 19.90365 
1 1 1    9    4   23 o  750.242   14.691  733.605   28.550  723.700   39.804  744.100   40.973  742.869   20.685  753.122   21.003 -10.25311 29.47889 
1 1 1    9    4   24 o  403.544   9.5703  211.584   10.004  214.482   14.379  208.865   13.926  405.627   13.686  400.328   13.430 5.299591 19.17447 
1 1 1    9    4   25 o  180.133   13.091   42.539   6.0663   43.227   8.8441   41.929   8.3364  180.351   19.228  177.791   18.366 2.559586 26.59026 
1 1 1    9    4   26 o  149.764   14.936   29.641   5.7169   35.716   8.4444   24.501   7.7677  163.247   20.416  134.042   23.212 29.20407 30.91332 
1 1 1    9    4   27 o  259.235   10.909   87.607   7.3251   87.224   10.452   87.976   10.269  257.301   15.758  258.507   15.406 -1.205841 22.03747 
1 1 1    9    4   28 o  157.995   14.541   33.014   5.8841   29.643   8.6555   35.911   8.0231  147.177   23.494  163.603   19.304 -16.42613 30.40756 
1 1 1    9    4   29 o  239.516   11.321   74.949   7.0240   78.282   10.293   72.044   9.6091  243.096   16.442  233.307   15.997 9.788757 22.94030 
1 1 1    9    4   30 o   92.095   22.377   11.839   5.2857   3.0840   7.6814   19.713   7.2846   68.128   27.722  118.713   24.502 -50.58517 36.99799 
1 1 1    9    4   31 o  301.831   15.306  120.671   11.928  128.800   18.243  114.600   15.765  307.609   23.063  291.267   21.037 16.34198 31.21580 
1 1 1    9    4   32 o  160.842   16.702   34.765   6.8571   38.450   11.005   32.426   8.7672  164.945   26.666  152.930   22.831 12.01601 35.10500 
1 1 1    9    4   33 o  174.195   17.180   40.952   7.6511   38.219   9.1447   47.330   13.969  166.240   21.759  179.844   31.113 -13.60339 37.96637 
1 1 1    9    4   34 o  144.284   16.692   28.235   6.1234   19.109   8.6092   37.579   8.7113  113.465   29.140  164.792   20.876 -51.32784 35.84608 
1 1 1    9    4   35 o   86.869   24.666   10.916   5.8095   17.789   8.2376   4.1146   8.1942  109.111   28.745   70.274   28.618 38.83736 40.56169 
1 1 1    9    4   36 o  195.910   14.183   51.455   7.1488   51.028   10.401   51.837   9.8424  191.088   21.379  193.527   19.918 -2.438995 29.21978 
1 1 1    9    4   37 o  205.754   14.139   56.880   7.4898   60.131   10.896   53.969   10.312  207.554   20.537  196.534   20.561 11.02077 29.06048 
1 1 1    9    4   38 o   57.256   24.415   1.2383   6.3809   0.0013   9.4137   2.2897   8.6789   64.688   28.584   66.582   28.435 -1.894112 40.31903 
1 1 1    9    4   39 o  184.917   16.138   46.963   7.6527   37.044   10.987   56.312   10.666  155.310   28.354  198.816   21.030 -43.50656 35.30152 
1 1 1    9    4   40 o  126.955   25.612   24.590   8.1320   19.371   10.169   33.850   13.545  107.067   33.210  138.350   37.053 -31.28202 49.75787 
1 1 1    9    4   41 o  299.252   14.500  122.228   11.239  135.200   19.751  116.016   13.668  298.042   25.839  286.536   18.515 11.50644 31.78777 
1 1 1    9    4   42 o   45.012   21.850 -10.4244   7.9910   5.7390   13.552 -19.0405   9.8942   78.106   34.416   44.740   22.215 33.36603 40.96281 
1 1 1    9    4   43 o   71.011   27.849   7.0008   7.4668   9.7889   11.073   4.6759   10.111   80.690   33.110   70.371   30.382 10.31852 44.93679 
1 1 1    9    4   44 o   67.615   27.410   5.9516   7.4766   15.558   10.701  -3.2114   10.451   91.162   33.912   59.151   27.621 32.01125 43.73788 
1 1 1    9    4   45 o  112.592   27.754   21.794   8.0427   26.956   11.871   17.416   10.935  114.290   35.954   93.021   34.345 21.26976 49.72165 
1 1 1    9    5    0 o  447.063   9.6107  259.121   11.129   0.0000   0.0000  259.121   11.129  ?   ?   447.063   9.6107 0.000000 9.610740 
1 1 1    9    5    1 o  797.656   10.158  824.978   20.989  835.700   43.155  821.656   24.021  801.382   20.789  795.907   11.651 5.474731 23.83177 
1 1 1    9    5    2 o  356.333   8.1267  164.566   7.5011  186.700   17.045  159.251   8.3534  379.062   17.360  350.496   9.2009 28.56598 19.64728 
1 1 1    9    5    3 o  460.014   8.3874  274.274   9.9942  276.700   21.134  273.575   11.343  461.456   17.680  459.378   9.5323 2.077881 20.08636 
1 1 1    9    5    4 o  958.647   13.030  1192.32   32.355  1195.00   56.616  1191.02   39.428  958.008   22.815  957.719   15.893 0.2896729 27.80502 
1 1 1    9    5    5 o  357.491   8.1898  165.631   7.5839  161.010   10.730  170.243   10.720  352.343   11.757  362.319   11.422 -9.975891 16.39205 
1 1 1    9    5    6 o  477.980   9.7925  296.173   12.124  286.700   20.305  301.422   15.114  469.856   16.683  482.078   12.104 -12.22238 20.61155 
1 1 1    9    5    7 o  600.096   12.558  467.110   19.521  468.800   27.947  465.500   27.279  600.705   17.960  598.624   17.592 2.080505 25.14103 
1 1 1    9    5    8 f  350.070   9.9977  158.871   9.0658  145.731   11.525  180.200   14.683  335.159   13.275  372.596   15.214 -37.43735 20.19113 
1 1 1    9    5    9 o  278.673   9.1007  100.659   6.5693   92.970   12.975  103.310   7.6179  266.806   18.897  282.283   10.418 -15.47702 21.57833 
1 1 1    9    5   10 f  597.215   9.3974  462.333   14.537  447.100   28.515  467.683   16.899  586.542   18.768  600.574   10.863 -14.03162 21.68498 
1 1 1    9    5   11 o  615.602   9.4931  491.263   15.138  456.500   29.086  504.177   17.728  592.620   18.948  623.545   10.976 -30.92505 21.89733 
1 1 1    9    5   12 o  983.818   11.602  1255.36   29.567  1266.00   59.009  1251.80   34.165  985.894   23.107  982.182   13.429 3.711975 26.72550 
1 1 1    9    5   13 o  167.929   13.685   36.842   5.9009   0.0000   0.0000   36.842   5.9009  ?   ?   167.929   13.685 0.000000 13.68470 
1 1 1    9    5   14 o  1242.05   13.466  2002.37   43.323  1891.00   81.985  2045.52   51.029  1203.35   26.302  1254.88   15.699 -51.52905 30.63112 
1 1 1    9    5   15 o  920.672   11.263  1099.61   26.859  1132.00   54.683  1089.31   30.836  931.821   22.655  916.104   12.994 15.71722 26.11736 
1 1 1    9    5   16 o  155.114   13.841   31.491   5.5029   30.890   12.072   31.649   6.1826  150.603   31.936  155.289   15.580 -4.685898 35.53422 
1 1 1    9    5   17 o  396.291   9.1265  203.655   9.3684  206.205   13.557  201.323   12.961  398.496   13.134  393.784   12.707 4.712982 18.27440 
1 1 1    9    5   18 o  632.953   9.6634  519.679   15.844  524.369   22.651  515.185   22.169  635.299   13.765  629.736   13.591 5.562927 19.34334 
1 1 1    9    5   19 o  545.300   9.4521  385.745   13.351  396.550   19.441  376.100   18.367  552.405   13.586  538.026   13.179 14.37885 18.92832 
1 1 1    9    5   20 o  253.725   12.337   83.636   8.1085   86.835   10.315   78.460   13.119  257.842   15.516  244.168   20.945 13.67404 26.06590 
1 1 1    9    5   21 o  711.183   11.790  657.163   21.719  663.700   38.328  654.071   26.360  712.321   20.773  708.962   14.354 3.358521 25.24952 
1 1 1    9    5   22 o  130.883   15.946   22.659   5.2944   22.484   7.9914   22.796   7.0682  128.612   24.888  130.174   21.728 -1.562469 33.03769 
1 1 1    9    5   23 o  335.524   13.623  146.639   11.840  146.400   16.375  146.900   17.139  333.828   19.015  334.178   19.890 -0.3504028 27.51679 
1 1 1    9    5   24 o  289.597   10.201  109.034   7.6526  110.209   10.989  107.928   10.663  290.203   14.666  287.595   14.314 2.607697 20.49330 
1 1 1    9    5   25 o  294.193   10.317  112.609   7.8623  114.396   11.385  110.981   10.871  295.414   14.927  291.427   14.401 3.987122 20.74076 
1 1 1    9    5   26 o  209.522   12.285   57.478   6.6382   60.890   9.5165   54.245   9.2642  214.566   17.269  202.294   17.863 12.27280 24.84545 
1 1 1    9    5   27 o  234.124   11.404   71.519   6.9158   77.549   10.191   66.370   9.4159  242.337   16.330  224.108   16.333 18.22922 23.09559 
1 1 1    9    5   28 o  307.704   10.261  123.445   8.1783  124.549   11.768  122.413   11.374  307.991   14.750  305.443   14.376 2.548157 20.59723 
1 1 1    9    5   29 o  192.163   12.726   48.575   6.2987   56.668   9.3367   41.816   8.5328  206.219   17.649  176.528   18.958 29.69144 25.90125 
1 1 1    9    5   30 o  255.355   11.031   85.265   7.2966   94.524   10.635   77.031   10.029  267.227   15.430  240.889   16.167 26.33714 22.34850 
1 1 1    9    5   31 o   60.525   24.963   1.9817   6.3344   6.0200   12.612   0.6194   7.3254   86.647   35.419   61.199   26.130 25.44835 44.01474 
1 1 1    9    5   32 o  220.208   13.877   64.279   7.8751   65.330   12.929   63.660   9.9297  217.595   23.301  217.557   17.776 0.3805542E-01 29.30715 
1 1 1    9    5   33 o   51.968   23.263  -2.0457   6.4439  -4.5796   7.6330   4.2400   12.022   52.846   24.300   80.885   33.953 -28.03896 41.75299 
1 1 1    9    5   34 o  177.810   14.590   42.333   6.6605   35.035   9.3273   49.927   9.5143  157.544   23.581  190.841   19.521 -33.29718 30.61312 
1 1 1    9    5   35 o   93.369   24.736   12.705   6.0781   13.458   8.6011   11.953   8.5903   95.347   30.671   90.954   30.715 4.393349 43.40608 
1 1 1    9    5   36 o  215.727   13.615   62.223   7.5692   68.745   10.852   56.043   10.563  223.627   18.911  200.692   20.611 22.93524 27.97265 
1 1 1    9    5   37 o  147.040   17.876   29.875   6.6687   43.121   9.9593   19.110   8.9786  173.985   22.635  111.016   30.352 62.96970 37.86281 
1 1 1    9    5   38 o   69.317   25.921   6.0463   6.2679   6.1601   8.9664   5.9376   8.7654   74.995   30.151   74.105   29.805 0.8898239 42.39649 
1 1 1    9    5   39 o  166.457   17.244   38.479   7.3272   33.373   10.501   43.325   10.229  146.695   28.662  171.975   23.584 -25.27988 37.11778 
1 1 1    9    5   40 o   74.026   31.048   5.5298   10.038   2.6140   16.170   7.3580   12.804   80.141   36.277   81.477   34.661 -1.335052 50.17316 
1 1 1    9    5   41 o  154.013   23.410   35.567   9.0450   41.730   15.654   32.478   11.082  148.004   39.917  139.624   31.403 8.379181 50.78889 
1 1 1    9    5   42 o   47.818   22.601  -5.7034   7.3742  -0.2922   10.881 -10.2999   10.028   65.102   29.583   51.801   24.983 13.30133 38.72105 
1 1 1    9    5   43 o  112.066   27.599   20.717   7.9587   18.892   11.493   22.399   11.032   99.588   35.422  109.126   34.697 -9.538239 49.58427 
1 1 1    9    5   44 o  172.191   19.654   43.834   8.6091   28.295   12.023   60.185   12.333  119.618   35.921  195.009   24.990 -75.39089 43.75861 
1 1 1    9    5   45 o  219.512   16.657   69.398   9.4007   55.698   13.205   83.477   13.386  179.038   29.501  231.431   22.619 -52.39249 37.17419 
1 1 1    9    6    0 o  329.133   8.4278  140.409   7.1851  142.400   15.954  139.902   8.0475  330.441   18.716  328.507   9.4573 1.934326 20.96932 
1 1 1    9    6    1 o  374.992   9.5443  182.299   9.2708  161.800   17.440  190.373   10.945  352.247   19.186  383.145   11.029 -30.89713 22.13013 
1 1 1    9    6    2 o  783.544   11.622  796.266   23.589  829.000   43.450  782.586   28.089  798.214   21.015  776.542   13.964 21.67249 25.23115 
1 1 1    9    6    3 o  585.469   12.937  444.707   19.619  468.500   29.797  426.500   26.066  600.313   19.162  572.945   17.563 27.36804 25.99365 
1 1 1    9    6    4 o  546.485   10.160  387.194   14.382  386.261   17.885  388.900   24.197  545.671   12.653  547.170   17.072 -1.499634 21.24992 
1 1 1    9    6    5 o  630.538   10.676  515.505   17.437  511.839   21.580  522.400   29.596  628.100   13.264  634.081   18.020 -5.980896 22.37498 
1 1 1    9    6    6 o  988.022   11.539  1265.95   29.531  1283.45   42.291  1249.30   41.254  994.165   16.422  980.878   16.237 13.28674 23.09410 
1 1 1    9    6    7 o  714.169   9.8797  661.199   18.277  659.593   25.929  662.785   25.766  712.957   14.040  714.692   13.918 -1.735046 19.76952 
1 1 1    9    6    8 o  703.372  10.0000  641.373   18.220  626.908   25.517  656.419   26.025  695.056   14.173  711.232   14.126 -16.17603 20.01046 
1 1 1    9    6    9 o  271.653   10.733   95.684   7.5526  122.900   14.636   85.807   8.8172  306.979   18.493  256.830   13.299 50.14926 22.77829 
1 1 1    9    6   10 o  457.559   9.0752  271.379   10.756  249.200   21.172  279.095   12.488  437.877   18.666  463.959   10.391 -26.08191 21.36341 
1 1 1    9    6   11 o  926.682   11.216  1113.67   26.922  1126.00   54.008  1109.60   31.056  929.952   22.421  924.779   12.964 5.172729 25.89918 
1 1 1    9    6   12 o  565.528   9.3284  414.619   13.665  429.900   27.522  409.619   15.743  575.043   18.477  562.015   10.814 13.02856 21.40890 
1 1 1    9    6   13 o  1001.90   16.798  1304.40   43.593   0.0000   0.0000  1304.40   43.593  ?   ?   1001.90   16.798 0.000000 16.79764 
1 1 1    9    6   14 o  170.281   12.608   37.834   5.5217   36.650   11.458   38.193   6.3016  165.236   27.755  170.901   14.368 -5.665421 31.25364 
1 1 1    9    6   15 o  276.355   10.164   99.051   7.2758  103.800   15.346   97.674   8.2635  281.461   21.205  274.368   11.627 7.092957 24.18330 
1 1 1    9    6   16 o  384.963   9.6386  192.198   9.6113  196.800   19.468  190.714   11.052  388.750   19.333  383.388   11.129 5.361359 22.30720 
1 1 1    9    6   17 o  387.623   9.6532  194.887   9.6924  188.100   18.678  197.387   11.338  380.010   18.976  390.000   11.224 -9.990295 22.04640 
1 1 1    9    6   18 o  877.870   12.696  1000.92   28.870  981.800   49.918  1010.53   35.389  866.937   22.229  881.469   15.499 -14.53174 27.09918 
1 1 1    9    6   19 o  456.217   9.3571  270.020   11.058  269.272   15.904  270.719   15.385  455.173   13.489  456.450   13.012 -1.276947 18.74209 
1 1 1    9    6   20 o  327.559   14.341  139.579   12.168  134.500   18.571  143.400   16.108  319.736   22.568  330.954   18.868 -11.21808 29.41582 
1 1 1    9    6   21 o  396.426   9.5196  203.989   9.7754  201.785   14.156  205.999   13.516  393.789   13.878  397.980   13.111 -4.190735 19.09125 
1 1 1    9    6   22 o  251.555   10.722   82.223   6.9864   83.667   10.217   80.955   9.5750  252.814   15.679  248.794   14.927 4.020813 21.64767 
1 1 1    9    6   23 o   64.772   25.764   2.9974   6.4748   4.7630   8.8882   1.0010   9.4513   77.052   30.332   71.045   29.979 6.007492 42.64647 
1 1 1    9    6   24 o  348.474   9.9241  157.880   8.9580  164.783   13.168  151.934   12.222  355.275   14.309  341.233   13.828 14.04251 19.89814 
1 1 1    9    6   25 o  517.298   9.7163  348.078   13.019  344.184   18.651  351.780   18.183  513.198   14.030  518.994   13.525 -5.796631 19.48795 
1 1 1    9    6   26 o  201.726   17.699   53.963   9.1549   0.0000   0.0000   53.963   9.1549  ?   ?   201.726   17.699 0.000000 17.69923 
1 1 1    9    6   27 o  114.227   19.444   17.727   5.5470   16.888   8.1186   18.461   7.5967  109.565   28.379  114.941   26.110 -5.375710 38.56297 
1 1 1    9    6   28 o  122.935   17.985   20.382   5.5578   16.274   7.9671   24.277   7.7568  107.357   28.262  132.771   23.410 -25.41394 36.69864 
1 1 1    9    6   29 o  310.897   10.321  126.165   8.3120  127.148   12.229  125.320   11.332  310.701   15.194  308.796   14.168 1.904541 20.77476 
1 1 1    9    6   30 o  350.782   11.916  161.234   10.827  152.554   13.528  176.700   18.058  339.906   15.365  363.384   19.253 -23.47733 24.63261 
1 1 1    9    6   31 o  264.604   11.242   91.754   7.7053   96.930   11.172   87.058   10.641  269.888   16.053  255.690   16.150 14.19875 22.77110 
1 1 1    9    6   32 o  168.880   16.952   38.415   7.3154   41.340   11.883   36.630   9.2830  170.014   27.955  162.467   22.676 7.546082 35.99553 
1 1 1    9    6   33 o  258.277   12.065   87.913   8.0716   94.139   11.693   82.247   11.156  264.445   17.163  246.893   17.558 17.55165 24.55342 
1 1 1    9    6   34 o   97.653   23.259   13.721   5.7993   6.7019   8.1621   20.877   8.2414   76.457   29.353  119.124   27.294 -42.66714 40.08206 
1 1 1    9    6   35 o   62.107   24.544   3.6358   5.8410   9.1119   8.4391  -1.3998   8.0926   82.762   30.232   59.037   26.274 23.72574 40.05399 
1 1 1    9    6   36 o  156.175   17.624   33.503   7.0048   36.748   10.134   30.534   9.6930  159.051   25.457  143.745   27.025 15.30673 37.12663 
1 1 1    9    6   37 o  164.657   16.164   37.023   6.8052   37.962   9.8984   36.182   9.3711  161.732   24.385  158.385   23.559 3.347809 33.90676 
1 1 1    9    6   38 o   42.167   20.080  -6.5575   6.0372  -1.2044   8.8143 -11.2882   8.2860   60.665   27.178   46.301   22.423 14.36362 35.23404 
1 1 1    9    6   39 o   88.467   29.673   12.206   8.0172   10.620   10.156   14.830   13.060   85.363   32.750   95.930   37.050 -10.56753 49.44954 
1 1 1    9    6   40 o   84.955   32.480   10.993   9.9675   0.0000   0.0000   10.993   9.9675  ?   ?    84.955   32.480 0.000000 32.47970 
1 1 1    9    6   41 o  152.029   23.762   34.925   9.0512   23.110   14.568   42.353   11.551  108.318   39.698  162.960   28.397 -54.64256 48.80912 
1 1 1    9    6   42 o   62.893   26.164   3.8286   7.0448   6.2535   9.7493   1.1791   10.191   72.958   30.599   65.368   29.259 7.590027 42.33607 
1 1 1    9    6   43 o   82.036   28.797   11.181   7.5739   9.8593   10.414   12.665   11.035   79.625   32.325   85.546   33.758 -5.920372 46.73862 
1 1 1    9    6   44 o   45.610   21.837  -6.7325   7.3470 -10.7094   10.638  -3.1050   10.159   51.911   25.202   58.101   27.165 -6.189808 37.05511 
1 1 1    9    7    0 o  680.561   9.6481  600.449   17.008  625.000   35.907  593.347   19.312  693.226   19.997  676.424   11.022 16.80237 22.83298 
1 1 1    9    7    1 o  329.247   8.5982  140.506   7.3330  143.900   16.526  139.674   8.1826  332.134   19.292  328.239   9.6239 3.894806 21.55958 
1 1 1    9    7    2 o  426.090   10.296  235.393   11.363  252.300   21.128  228.512   13.479  440.594   18.513  419.714   12.398 20.87991 22.28094 
1 1 1    9    7    3 o  812.686   10.415  856.331   21.924  867.896   31.337  845.244   30.683  817.700   14.795  806.972   14.679 10.72754 20.84114 
1 1 1    9    7    4 o  682.149   9.7219  603.239   17.178  616.864   24.609  590.290   23.991  689.482   13.779  674.471   13.732 15.01038 19.45315 
1 1 1    9    7    5 o  361.919   8.9794  169.781   8.4180  163.196   11.902  176.373   11.907  354.677   12.955  368.740   12.467 -14.06363 17.97920 
1 1 1    9    7    6 o  386.733   9.0290  193.862   9.0449  183.893   12.820  203.742   12.763  376.489   13.146  396.323   12.432 -19.83365 18.09349 
1 1 1    9    7    7 o  667.786   9.9172  578.118   17.154  557.399   23.907  600.109   24.630  655.388   14.082  680.043   13.982 -24.65527 19.84447 
1 1 1    9    7    8 o  353.986   9.9104  162.449   9.0871  150.520   12.985  173.899   12.721  340.540   14.720  366.099   13.415 -25.55963 19.91606 
1 1 1    9    7    9 o  276.947   15.293   99.877   10.929   99.877   10.929   0.0000   0.0000  276.947   15.293  ?   ?  0.000000 15.29341 
1 1 1    9    7   10 o  525.853   9.2367  358.462   12.581  366.100   25.531  356.012   14.459  530.696   18.573  523.975   10.653 6.720581 21.41126 
1 1 1    9    7   11 o  232.842   10.259   70.299   6.1875   55.370   12.982   74.687   7.0384  204.560   25.022  239.968   11.323 -35.40779 27.46523 
1 1 1    9    7   12 o  671.724   11.366  585.277   19.777   0.0000   0.0000  585.277   19.777  ?   ?   671.724   11.366 0.000000 11.36605 
1 1 1    9    7   13 o  540.544   11.045  379.003   15.465  351.100   25.686  394.871   19.370  519.480   19.089  551.530   13.558 -32.04993 23.41411 
1 1 1    9    7   14 o  782.760   10.489  794.722   21.266  796.400   42.450  794.160   24.572  781.870   20.960  782.290   12.126 -0.4198608 24.21513 
1 1 1    9    7   15 o  341.160   9.9934  150.958   8.8313  135.800   17.731  155.959   10.184  322.061   21.376  346.693   11.341 -24.63254 24.19777 
1 1 1    9    7   16 o  352.382   9.9134  161.068   9.0487  157.900   18.618  162.047   10.354  347.393   20.786  353.370   11.311 -5.977234 23.66451 
1 1 1    9    7   17 o  356.068   9.9153  164.478   9.1451  160.500   18.839  165.704   10.460  350.133   20.867  357.304   11.302 -7.171844 23.73090 
1 1 1    9    7   18 o  624.772   9.9929  506.486   16.172  543.700   33.072  494.791   18.540  645.578   19.777  617.319   11.594 28.25940 22.92522 
1 1 1    9    7   19 o   63.626   25.853   2.1588   6.6686   1.1690   12.289   2.5720   7.9393   81.028   34.187   69.339   28.196 11.68858 44.31404 
1 1 1    9    7   20 o  378.816   9.5620  186.248   9.3826  179.771   13.560  192.198   12.996  371.715   14.083  384.471   13.050 -12.75674 19.19967 
1 1 1    9    7   21 o  111.219   19.151   16.622   5.3181   8.5944   8.1433   22.591   7.0224   85.207   29.863  129.585   21.687 -44.37829 36.90709 
1 1 1    9    7   22 o   65.915   23.448   4.9503   5.0363   3.2873   8.0694   6.0114   6.4458   71.153   28.605   73.387   26.480 -2.234207 38.97991 
1 1 1    9    7   23 o  215.413   15.997   60.973   8.8622   64.330   12.146   57.150   12.960  220.038   21.587  206.443   24.728 13.59576 32.82516 
1 1 1    9    7   24 o  252.216   10.990   82.808   7.1799   82.423   10.496   83.146   9.8431  250.365   16.273  251.712   15.167 -1.347137 22.24567 
1 1 1    9    7   25 o  328.927   10.087  140.823   8.5946  140.124   12.559  141.440   11.787  327.171   14.819  328.929   13.834 -1.757996 20.27289 
1 1 1    9    7   26 o   88.339   22.476   10.785   5.1556   9.5010   7.5159   11.926   7.0854   85.696   28.731   93.103   27.486 -7.406769 39.76102 
1 1 1    9    7   27 o  188.279   12.770   46.586   6.1910   39.342   8.9670   53.184   8.5580  170.877   20.680  200.260   16.649 -29.38289 26.54866 
1 1 1    9    7   28 o  164.703   21.502   36.803   8.9547   36.803   8.9547   0.0000   0.0000  164.703   21.502  ?   ?  0.000000 21.50239 
1 1 1    9    7   29 o  122.531   18.930   20.407   5.8147   28.779   8.7100   13.676   7.8099  144.152   24.183   98.463   28.797 45.68966 37.60435 
1 1 1    9    7   30 o  103.606   29.231   15.387   8.1859   17.060   14.120   14.540   10.047  110.907   39.282  101.673   33.184 9.233833 51.42228 
1 1 1    9    7   31 o  205.798   13.069   55.990   6.9305   57.083   10.022   54.988   9.5947  205.509   19.043  201.884   18.555 3.625458 26.58786 
1 1 1    9    7   32 o  251.453   16.610   84.760   10.758  101.400   14.847   66.370   15.608  272.302   21.217  215.268   28.707 57.03397 35.69688 
1 1 1    9    7   33 o  139.620   18.622   26.746   6.5670   37.069   9.9000   18.636   8.7756  161.833   24.373  111.816   29.770 50.01688 38.47453 
1 1 1    9    7   34 f  144.906   17.674   28.737   6.4966   38.620   9.5393   20.188   8.8721  165.550   22.855  115.898   29.483 49.65184 37.30379 
1 1 1    9    7   35 o  102.410   24.218   15.304   6.3234   11.958   9.2393   18.252   8.6729   91.001   31.814  109.560   29.780 -18.55930 43.57731 
1 1 1    9    7   36 o  246.029   13.126   80.840   8.3349   94.478   12.286   69.212   11.345  262.472   18.183  223.315   19.818 39.15756 26.89578 
1 1 1    9    7   37 o  156.592   17.899   33.968   7.1296   32.111   10.371   35.631   9.8170  145.333   28.568  155.767   25.190 -10.43451 38.08818 
1 1 1    9    7   38 o   74.854   26.662   7.8497   6.5132   17.204   9.8695   0.6330   8.6690  102.818   32.832   63.028   27.656 39.79028 42.92746 
1 1 1    9    7   39 o   69.998   30.376   2.8618   10.212   9.3590   16.784  -0.9573   12.868   89.430   38.876   70.502   32.089 18.92813 50.40854 
1 1 1    9    7   40 o   88.782   29.504   12.727   7.9284   24.770   12.549   4.7251   10.229  116.014   37.018   72.328   30.879 43.68672 48.20624 
1 1 1    9    7   41 o   98.681   33.653   17.281   10.314   23.630   14.399   10.590   14.781  108.806   39.529   86.119   36.952 22.68668 54.11073 
1 1 1    9    7   42 o  125.152   25.864   24.882   8.1074   26.864   11.629   23.008   11.309  120.016   35.151  110.644   35.125 9.371811 49.69236 
1 1 1    9    7   43 o   89.724   29.205   13.909   7.7836   18.898   11.380   9.5219   10.670   98.502   35.224   78.671   32.417 19.83091 47.87084 
1 1 1    9    7   44 o  117.180   27.547   23.328   8.2206   27.803   11.712   18.983   11.542  117.587   35.484   96.250   35.326 21.33724 50.07013 
1 1 1    9    8    0 o  462.355   8.9931  277.098   10.770  266.000   22.742  280.307   12.229  452.313   19.410  464.972   10.153 -12.65869 21.90547 
1 1 1    9    8    1 o  423.899   10.593  232.994   11.631  234.000   21.049  232.551   13.955  424.260   19.154  423.388   12.725 0.8715210 22.99543 
1 1 1    9    8    2 o  638.601   9.6478  528.678   15.959  536.408   22.796  521.248   22.350  642.944   13.688  633.800   13.613 9.143982 19.30497 
1 1 1    9    8    3 o  760.540   10.256  749.943   20.204  756.919   28.735  743.122   28.413  763.660   14.526  756.671   14.496 6.989014 20.52228 
1 1 1    9    8    4 o  857.113   10.846  952.602   24.079  972.338   34.565  933.993   33.564  865.423   15.419  848.206   15.276 17.21716 21.70522 
1 1 1    9    8    5 o  862.246   10.931  964.062   24.415  977.717   34.893  950.963   34.174  867.801   15.523  855.860   15.415 11.94128 21.87647 
1 1 1    9    8    6 o  749.964   10.438  729.254   20.277  727.318   28.798  731.158   28.556  748.545   14.852  750.537   14.688 -1.991821 20.88883 
1 1 1    9    8    7 f  515.835   9.7417  344.956   13.017  355.776   18.824  335.043   18.018  523.601   13.879  508.129   13.690 15.47122 19.49463 
1 1 1    9    8    8 o  868.888   11.050  979.045   24.871  981.266   35.361  976.871   34.988  869.308   15.704  867.377   15.573 1.930725 22.11590 
1 1 1    9    8    9 o  370.093   9.6345  177.574   9.2361  184.774   13.552  171.329   12.621  377.319   13.866  363.356   13.410 13.96283 19.28946 
1 1 1    9    8   10 o  700.231   10.097  635.775   18.314  632.690   26.031  638.799   25.772  698.115   14.395  701.501   14.183 -3.386047 20.20838 
1 1 1    9    8   11 o   77.614   21.164   8.0950   4.3722  -0.4049   10.988   9.6939   4.7657   74.587   31.928   84.674   21.645 -10.08627 38.57367 
1 1 1    9    8   12 o  536.914   13.595  374.229   18.908   0.0000   0.0000  374.229   18.908  ?   ?   536.914   13.595 0.000000 13.59544 
1 1 1    9    8   13 o  621.921   9.7739  501.586   15.745  499.500   31.715  502.268   18.139  619.407   19.767  622.215   11.254 -2.807678 22.74630 
1 1 1    9    8   14 f  519.200   9.5447  349.586   12.837  347.700   25.551  350.222   14.846  516.792   19.087  519.559   11.031 -2.766663 22.04569 
1 1 1    9    8   15 o  695.613   10.188  627.693   18.357  600.600   35.958  637.243   21.349  678.802   20.450  700.700   11.762 -21.89795 23.59163 
1 1 1    9    8   16 o  305.167   10.666  120.841   8.4314  131.100   16.591  117.269   9.7898  316.428   20.349  300.512   12.577 15.91620 23.92216 
1 1 1    9    8   17 o  375.140   10.116  182.605   9.8297  163.500   19.053  189.534   11.475  353.298   20.913  382.080   11.594 -28.78201 23.91152 
1 1 1    9    8   18 o  412.247   13.342  220.889   14.247  215.400   20.962  225.600   19.422  406.211   19.922  416.014   18.023 -9.803009 26.86506 
1 1 1    9    8   19 o   84.970   24.460   9.6873   5.6746   3.5940   13.382   11.023   6.2658   88.158   36.312   90.418   25.597 -2.259705 44.42719 
1 1 1    9    8   20 o  351.352   10.376  160.315   9.4432  149.900   18.877  163.791   10.906  337.550   21.705  354.995   11.860 -17.44498 24.73364 
1 1 1    9    8   21 o  538.851   11.148  377.396   15.560  368.100   28.003  381.548   18.715  529.975   20.399  541.392   13.345 -11.41724 24.37607 
1 1 1    9    8   22 f  385.851   10.940  193.590   10.934  177.800   18.591  201.940   13.519  367.677   19.590  393.721   13.256 -26.04330 23.65405 
1 1 1    9    8   23 o  229.195   13.493   68.751   7.9750   70.379   10.110   66.070   12.974  231.204   17.001  222.511   22.834 8.693420 28.46832 
1 1 1    9    8   24 o  284.168   10.480  105.110   7.7139  101.067   11.173  108.792   10.663  277.382   15.614  288.488   14.269 -11.10596 21.15200 
1 1 1    9    8   25 o  597.869   9.9909  465.382   15.472  483.893   22.725  449.387   21.125  607.919   14.431  586.066   13.916 21.85291 20.04770 
1 1 1    9    8   26 o  297.408   10.419  115.300   8.0268  113.863   11.839  116.522   10.919  293.981   15.603  298.174   14.138 -4.192596 21.05566 
1 1 1    9    8   27 o   99.658   21.121   13.710   5.2830   5.9677   7.9072   19.953   7.1003   76.155   28.973  120.013   23.681 -43.85770 37.41966 
1 1 1    9    8   28 o  144.204   15.645   27.717   5.7500   29.612   8.7473   26.275   7.6302  146.533   23.867  138.478   22.008 8.054901 32.46533 
1 1 1    9    8   29 o  213.783   18.258   61.209   10.013   68.790   16.513   56.800   12.593  221.171   29.564  203.290   24.402 17.88092 38.33376 
1 1 1    9    8   30 o  347.335   10.449  157.823   9.4007  144.748   13.317  170.811   13.273  330.640   15.549  359.809   14.241 -29.16934 21.08454 
1 1 1    9    8   31 o  165.860   15.046   36.751   6.3938   32.346   9.0587   41.124   9.0258  152.099   23.771  173.371   20.495 -21.27165 31.38597 
1 1 1    9    8   32 o   95.249   29.478   13.157   8.0169   9.6550   10.435   18.200   12.523   88.237   33.352  110.119   37.086 -21.88204 49.87713 
1 1 1    9    8   33 o  286.341   11.532  108.064   8.5531  115.594   12.449  101.332   11.771  293.113   16.463  274.267   16.648 18.84525 23.41346 
1 1 1    9    8   34 o   56.844   23.654   1.7588   5.7598   8.3918   8.6300  -3.5690   7.7344   81.198   30.406   54.254   24.764 26.94455 39.21471 
1 1 1    9    8   35 o   75.136   26.046   7.7054   6.1866   1.9621   9.2088   12.430   8.3521   68.181   29.209   91.578   30.274 -23.39619 42.06762 
1 1 1    9    8   36 o  109.178   24.013   17.504   6.6062   16.440   9.6452   18.445   9.0667  102.418   32.430  108.738   30.793 -6.319969 44.72070 
1 1 1    9    8   37 o   65.269   25.994   4.3471   6.5987   6.7423   9.6289   2.2261   9.0609   77.401   31.201   67.274   28.901 10.12724 42.52935 
1 1 1    9    8   38 o  217.862   14.539   64.506   8.1575   56.368   11.791   71.976   11.298  196.246   23.673  226.074   19.483 -29.82787 30.65950 
1 1 1    9    8   39 o   94.994   33.782   15.052   10.453   0.0000   0.0000   15.052   10.453  ?   ?    94.994   33.782 0.000000 33.78222 
1 1 1    9    8   40 o  112.044   26.871   19.958   7.6981  -2.5894   11.335   39.259   10.488   63.863   29.455  158.980   26.393 -95.11729 39.54992 
1 1 1    9    8   41 o   65.725   29.373   1.3045   10.229   10.320   14.386  -7.9150   14.548   84.798   36.422   64.926   30.987 19.87196 47.82032 
1 1 1    9    8   42 o   92.678   29.037   14.635   7.7519   4.7920   11.102   23.997   10.828   71.783   31.402  113.689   34.078 -41.90623 46.34002 
1 1 1    9    8   43 o   65.629   26.500   5.5591   6.9584   6.7217   9.1647   3.9764   10.692   71.306   29.768   68.811   30.432 2.495285 42.57075 
1 1 1    9    8   44 o  100.025   28.925   17.900   7.9193   19.381   11.171   16.405   11.228   96.767   34.869   89.985   34.456 6.782059 49.02101 
1 1 1    9    9    0 o  1127.99   14.756  1651.64   43.115  1696.00   76.969  1631.36   52.048  1140.31   26.058  1120.44   17.933 19.87036 31.63275 
1 1 1    9    9    1 o  275.327   10.464   98.291   7.4630   97.431   10.706   99.103   10.408  273.531   15.170  275.930   14.615 -2.399200 21.06473 
1 1 1    9    9    2 o  278.904   10.566  100.863   7.6330  108.676   11.159   93.992   10.464  288.953   14.960  268.653   15.098 20.30011 21.25455 
1 1 1    9    9    3 o  832.607   10.906  898.947   23.521  943.913   34.416  859.538   32.219  852.631   15.583  813.670   15.287 38.96149 21.82914 
1 1 1    9    9    4 o  448.266   9.8341  260.512   11.419  261.647   16.300  259.419   16.001  449.009   14.015  447.107   13.816 1.902771 19.68009 
1 1 1    9    9    5 o  420.708   9.9841  229.475   10.880  231.619   15.511  227.397   15.266  422.447   14.175  418.585   14.079 3.861816 19.97901 
1 1 1    9    9    6 o  249.131   11.309   80.494   7.2977   81.823   10.574   79.286   10.084  250.461   16.389  246.586   15.872 3.875137 22.81512 
1 1 1    9    9    7 o  849.737   10.942  936.381   24.085  949.799   34.559  923.709   33.584  855.232   15.600  843.436   15.372 11.79578 21.90112 
1 1 1    9    9    8 o   90.310   21.846   11.044   5.0548   15.183   7.8157   8.0680   6.6276  105.932   28.043   80.910   26.979 25.02213 38.91380 
1 1 1    9    9    9 o  415.023   9.5897  223.321   10.309  220.315   14.835  226.129   14.337  411.977   13.901  417.421   13.259 -5.443207 19.21106 
1 1 1    9    9   10 o  189.690   14.524   46.994   7.0820   69.320   14.339   39.790   8.1448  229.233   24.529  173.967   18.351 55.26553 30.63387 
1 1 1    9    9   11 o  533.850   14.245  370.073   19.698  354.900   27.442  386.200   28.292  522.096   20.291  544.666   20.053 -22.56982 28.52819 
1 1 1    9    9   12 o  365.192   9.6768  172.948   9.1538  184.600   19.340  169.583   10.392  376.003   19.928  361.551   11.096 14.45187 22.80890 
1 1 1    9    9   13 o  295.026   10.451  112.908   7.9866  119.700   16.968  110.974   9.0520  302.204   21.823  292.418   11.951 9.785187 24.88082 
1 1 1    9    9   14 o  317.256   10.274  130.571   8.4430  119.700   17.462  133.887   9.6454  302.018   22.482  321.188   11.593 -19.16980 25.29538 
1 1 1    9    9   15 o  297.165   10.828  114.593   8.3349  102.800   17.490  118.059   9.4806  279.318   24.419  301.549   12.137 -22.23077 27.26923 
1 1 1    9    9   16 o  376.786   11.726  184.326   11.444  190.700   19.561  181.008   14.111  381.861   19.844  373.126   14.600 8.735107 24.63639 
1 1 1    9    9   17 f  145.206   23.746   28.305   8.6226   27.420   12.707   29.060   11.739  141.089   34.950  145.595   32.000 -4.506027 47.38624 
1 1 1    9    9   18 o  443.981   9.9321  255.845   11.422  252.100   22.869  257.090   13.185  439.270   20.098  444.904   11.441 -5.634186 23.12649 
1 1 1    9    9   19 o  362.502   10.538  170.651   9.8951  145.900   20.397  178.269   11.316  332.532   23.839  370.379   11.795 -37.84650 26.59692 
1 1 1    9    9   20 o  146.671   17.627   28.493   6.5629   35.200   14.657   26.811   7.3397  158.999   36.377  141.627   20.612 17.37166 41.81054 
1 1 1    9    9   21 o  275.151   11.952   98.495   8.5184   91.880   18.149  100.364   9.6471  262.021   27.134  277.587   13.417 -15.56628 30.26943 
1 1 1    9    9   22 o  419.826   15.257  230.235   16.592   0.0000   0.0000  230.235   16.592  ?   ?   419.826   15.257 0.000000 15.25726 
1 1 1    9    9   23 o  414.371   11.389  223.627   12.224  213.000   22.784  227.922   14.486  400.791   22.031  417.889   13.383 -17.09811 25.77689 
1 1 1    9    9   24 o  182.928   13.524   43.967   6.3626   35.534   9.3277   51.305   8.7010  162.074   22.853  196.856   17.237 -34.78139 28.62459 
1 1 1    9    9   25 o  212.684   12.471   59.302   6.8405   50.247   10.224   66.642   9.2043  193.594   20.709  224.680   15.918 -31.08566 26.11966 
1 1 1    9    9   26 o   88.377   23.364   10.840   5.4299   8.6934   8.2444   12.484   7.2161   84.327   30.000   94.804   27.668 -10.47699 40.81084 
1 1 1    9    9   27 o  285.917   10.726  106.733   7.9436  106.044   11.812  107.301   10.733  283.116   16.174  285.358   14.569 -2.242065 21.76840 
1 1 1    9    9   28 o  197.616   14.830   51.719   7.5360   54.645   9.7786   47.440   11.826  201.794   18.929  185.376   25.288 16.41808 31.58779 
1 1 1    9    9   29 o   86.715   26.917   10.420   6.6787   15.140   13.670   8.9397   7.6544  106.361   38.534   83.172   28.964 23.18947 48.20581 
1 1 1    9    9   30 o  204.155   12.764   55.051   6.7159   54.606   9.4983   55.496   9.4972  201.233   18.427  202.950   18.261 -1.716568 25.94253 
1 1 1    9    9   31 o  235.661   12.332   73.344   7.5015   71.683   10.857   74.862   10.377  230.298   18.352  236.025   17.088 -5.727234 25.07616 
1 1 1    9    9   32 o  265.013   16.557   94.435   11.309  106.800   15.578   80.660   16.442  278.239   21.789  237.588   27.208 40.65060 34.85721 
1 1 1    9    9   33 o  152.954   16.682   31.804   6.5022   30.595   9.2617   32.979   9.1307  145.632   25.480  152.176   23.956 -6.544586 34.97266 
1 1 1    9    9   34 o   63.397   24.804   4.0606   5.9124   7.8704   8.6582   0.7317   8.0933   79.678   30.317   62.679   27.121 16.99894 40.67739 
1 1 1    9    9   35 o   45.815   21.687  -6.7412   6.8372  -0.8958   8.7511 -15.9000   10.954   61.666   27.389   52.103   25.359 9.562378 37.32623 
1 1 1    9    9   36 o  186.868   15.033   47.349   7.2150   38.425   10.651   54.917   9.8083  160.951   26.467  198.537   19.317 -37.58621 32.76660 
1 1 1    9    9   37 o  114.392   24.060   19.451   6.9033   13.923   10.167   24.179   9.4031   94.144   33.335  124.027   29.668 -29.88238 44.62477 
1 1 1    9    9   38 o  106.782   31.376   18.746   9.2523   13.200   12.598   25.240   13.633   92.136   36.161  117.660   38.668 -25.52340 52.94201 
1 1 1    9    9   39 o   79.630   29.698   9.4453   8.2167   4.3760   14.361   11.913   10.019   78.733   35.022   86.774   32.708 -8.041397 47.92067 
1 1 1    9    9   40 f   46.819   22.087  -5.3959   6.9837 -19.5979   10.507   5.8455   9.3476   46.285   22.967   72.039   30.068 -25.75442 37.83605 
1 1 1    9    9   41 o  106.850   31.858   20.190   9.4823   22.840   11.813   15.390   15.899  109.221   36.000   92.012   38.857 17.20901 52.97061 
1 1 1    9    9   42 f   60.592   26.244   2.4665   7.5936   15.323   10.962  -9.3962   10.529   90.842   34.219   53.257   25.664 37.58470 42.77338 
1 1 1    9    9   43 o   82.921   28.845   11.955   7.5906   1.2160   11.404   20.496   10.171   65.688   30.018  102.954   33.377 -37.26639 44.88956 
1 1 1    9    9   44 o   82.373   29.643   12.434   8.0713   8.1143   11.547   16.561   11.286   73.851   32.174   89.196   34.444 -15.34486 47.13298 
1 1 1    9   10    0 o  470.177   10.245  286.637   12.478  292.311   18.084  281.481   17.239  474.523   14.713  465.680   14.291 8.842926 20.51112 
1 1 1    9   10    1 f  666.282   10.426  575.631   17.994  573.887   25.600  577.334   25.296  664.871   14.865  666.889   14.644 -2.017456 20.86606 
1 1 1    9   10    2 o  332.128   11.044  143.054   9.5012  155.621   13.964  132.219   12.965  346.185   15.572  319.090   15.686 27.09506 22.10300 
1 1 1    9   10    3 o  404.750   10.364  212.422   10.866  217.421   15.632  207.749   15.115  409.241   14.746  400.045   14.587 9.196503 20.74150 
1 1 1    9   10    4 o  246.246   12.048   78.659   7.6847   74.658   11.192   82.227   10.570  238.972   18.218  251.075   16.342 -12.10326 24.47338 
1 1 1    9   10    5 o  1050.67   12.274  1432.11   33.405  1459.42   48.038  1406.54   46.485  1059.72   17.500  1040.40   17.249 19.32471 24.57209 
1 1 1    9   10    6 o  142.526   16.391   26.735   5.9410   35.441   8.5536   18.621   8.2578  163.751   20.623  117.076   27.668 46.67584 34.50860 
1 1 1    9   10    7 o  654.821   9.9914  555.999   16.947  555.898   24.155  556.097   23.783  654.365   14.251  654.507   14.028 -0.1417847 19.99692 
1 1 1    9   10    8 o  295.303   14.672  113.238   11.223   0.0000   0.0000  113.238   11.223  ?   ?   295.303   14.672 0.000000 14.67178 
1 1 1    9   10    9 o  201.206   21.419   53.323   10.992   51.390   15.617   55.220   15.472  195.500   31.943  203.155   30.331 -7.654663 44.04939 
1 1 1    9   10   10 o  376.752   21.803  185.600   21.187   0.0000   0.0000  185.600   21.187  ?   ?   376.752   21.803 0.000000 21.80296 
1 1 1    9   10   11 o  336.560   10.330  146.923   9.0053  143.806   13.107  149.711   12.394  332.681   15.210  339.520   14.093 -6.838989 20.73493 
1 1 1    9   10   12 o  161.790   15.235   34.316   6.3095   35.570   9.1418   33.176   8.7192  163.680   22.129  158.020   21.890 5.659546 31.12648 
1 1 1    9   10   13 o  335.607   10.195  146.113   8.8629  153.800   19.477  144.106   9.9531  342.599   22.065  333.217   11.531 9.381989 24.89646 
1 1 1    9   10   14 o  484.616   11.732  304.875   14.728  275.200   25.081  320.491   18.195  459.247   21.084  496.613   14.144 -37.36603 25.38891 
1 1 1    9   10   15 o  1128.34   14.918  1655.58   43.600  1681.00   76.235  1643.23   53.150  1132.33   25.991  1122.99   18.272 9.345093 31.77125 
1 1 1    9   10   16 o  391.120   13.840  198.874   14.021  202.600   21.046  195.900   18.801  393.315   20.730  387.579   18.727 5.736084 27.93692 
1 1 1    9   10   17 o  715.957   10.497  665.467   19.468  626.900   37.961  679.229   22.677  692.387   21.166  723.039   12.108 -30.65259 24.38430 
1 1 1    9   10   18 o  199.373   13.857   51.964   7.1120   27.630   15.823   58.126   7.9616  141.537   40.873  210.803   14.672 -69.26636 43.42638 
1 1 1    9   10   19 o  356.520   10.545  165.115   9.7380  158.200   19.699  167.351   11.202  346.563   22.058  358.762   12.055 -12.19946 25.13747 
1 1 1    9   10   20 o   98.008   23.567   13.149   5.9094  -9.6180   13.596   18.452   6.5616   70.276   32.357  116.554   22.549 -46.27799 39.43915 
1 1 1    9   10   21 o  681.494   12.215  604.684   21.563   0.0000   0.0000  604.684   21.563  ?   ?   681.494   12.215 0.000000 12.21486 
1 1 1    9   10   22 o  178.734   19.449   42.491   8.8593   56.160   17.687   37.913   10.236  200.607   35.329  167.455   24.308 33.15158 42.88365 
1 1 1    9   10   23 o  197.509   14.360   51.283   7.2965   27.380   16.120   57.442   8.1827  138.377   41.601  208.906   15.226 -70.52875 44.30009 
1 1 1    9   10   24 o  407.404   10.524  216.272   11.105  202.900   22.757  220.452   12.723  389.760   22.638  410.962   11.952 -21.20206 25.59959 
1 1 1    9   10   25 o  449.345   9.7793  263.053   11.383  261.368   16.486  264.588   15.735  446.427   14.256  449.452   13.516 -3.024994 19.64475 
1 1 1    9   10   26 o   73.805   23.730   7.2001   5.1490   11.068   8.2548   4.7365   6.5877   91.011   30.098   69.104   26.408 21.90723 40.04111 
1 1 1    9   10   27 o   97.959   22.224   13.369   5.5097   15.454   8.4825   11.847   7.2464  104.297   29.871   92.289   27.926 12.00752 40.89149 
1 1 1    9   10   28 o   69.378   28.046   3.5411   7.8042   12.710   13.874  -0.7030   9.4392  101.892   38.470   66.421   29.009 35.47112 48.18158 
1 1 1    9   10   29 o  241.410   11.958   76.496   7.4779   91.737   11.075   63.726   10.138  262.375   16.377  217.789   18.135 44.58604 24.43582 
1 1 1    9   10   30 o  183.329   14.112   44.698   6.6498   40.470   9.4125   48.911   9.3959  171.375   21.689  189.697   19.395 -18.32132 29.09561 
1 1 1    9   10   31 o   51.635   22.830  -1.1985   6.0134  -8.3050   9.8992   2.9575   7.5702   56.606   26.577   66.357   27.320 -9.751640 38.11423 
1 1 1    9   10   32 o  148.050   20.815   30.516   7.7620   31.693   9.5901   28.280   13.217  148.245   25.918  133.418   36.968 14.82690 45.14790 
1 1 1    9   10   33 o  135.370   18.480   25.317   6.3108   23.833   8.9808   26.764   8.8699  126.421   28.148  135.252   26.264 -8.831451 38.49844 
1 1 1    9   10   34 o   87.241   25.884   11.200   6.2710   10.082   9.2349   12.156   8.5427   85.717   31.578   90.741   30.629 -5.023567 43.99238 
1 1 1    9   10   35 o  206.865   14.093   57.588   7.5064   72.732   11.049   44.608   10.230  229.379   18.760  176.589   22.903 52.79039 29.60580 
1 1 1    9   10   36 o  140.252   19.366   27.708   6.8479   18.189   10.068   35.901   9.3413  106.018   33.072  157.014   23.706 -50.99654 40.69087 
1 1 1    9   10   37 o   70.379   26.125   6.5535   6.3434   17.225   9.5467  -1.8827   8.4883  102.595   32.237   58.160   26.309 44.43520 41.60958 
1 1 1    9   10   38 o  113.090   39.828   24.200   14.495   0.0000   0.0000   24.200   14.495  ?   ?   113.090   39.828 0.000000 39.82770 
1 1 1    9   10   39 o  137.040   22.651   28.079   7.7597   23.383   11.195   32.421   10.765  114.153   34.747  140.160   30.518 -26.00682 46.24582 
1 1 1    9   10   40 o   76.030   29.741   8.4429   8.4989   0.3026   13.947   13.251   10.719   71.506   32.868   88.110   33.683 -16.60432 47.06170 
1 1 1    9   10   41 o   66.152   28.420   3.9129   8.7625   3.1874   11.092   5.1170   14.291   69.283   30.801   76.437   34.396 -7.153992 46.17137 
1 1 1    9   10   42 o  140.966   23.566   31.035   8.3012   23.533   11.821   38.336   11.660  108.020   36.031  147.498   31.478 -39.47777 47.84470 
1 1 1    9   10   43 o   48.017   22.674  -4.5606   7.3915 -14.3455   10.447   5.2474   10.459   48.155   23.709   69.177   30.365 -21.02259 38.52487 
1 1 1    9   11    0 o  889.287   16.400  1027.41   37.777  1086.00   55.611  977.200   51.478  912.810   23.519  866.010   22.948 46.79993 32.86007 
1 1 1    9   11    1 o  366.750   15.978  174.717   15.179  177.700   21.589  171.800   21.345  368.630   22.721  362.416   22.855 6.213715 32.22664 
1 1 1    9   11    2 o  528.283   11.734  362.030   16.057  341.000   28.313  372.002   19.496  511.769   21.358  535.324   14.060 -23.55508 25.57022 
1 1 1    9   11    3 o  821.046   10.916  874.299   23.215  907.340   33.750  844.629   31.982  835.812   15.589  806.451   15.310 29.36035 21.84994 
1 1 1    9   11    4 o  492.500   9.7692  314.503   12.463  306.603   17.656  322.349   17.595  485.982   14.025  498.338   13.630 -12.35574 19.55747 
1 1 1    9   11    5 o  693.353   11.922  623.703   21.413  655.700   39.152  610.047   25.577  709.578   21.301  685.449   14.405 24.12811 25.71466 
1 1 1    9   11    6 o  1024.89   17.378  1365.54   46.135  1385.00   66.058  1347.00   64.461  1030.18   24.755  1016.03   24.493 14.14954 34.82408 
1 1 1    9   11    7 o  334.864   16.101  145.714   13.966  157.200   19.962  134.700   19.547  346.573   22.355  320.481   23.715 26.09183 32.59065 
1 1 1    9   11    8 o  608.355   11.853  480.227   18.679  480.810   22.681  479.000   32.929  608.454   14.391  606.372   20.965 2.081848 25.42858 
1 1 1    9   11    9 o  1065.80   12.431  1474.35   34.320  1500.54   49.377  1449.88   47.736  1074.03   17.748  1055.82   17.454 18.21204 24.89288 
1 1 1    9   11   10 o  207.829   20.267   56.800   10.772   56.800   10.772   0.0000   0.0000  207.829   20.267  ?   ?  0.000000 20.26687 
1 1 1    9   11   11 o  543.661   10.178  383.411   14.333  404.619   21.221  365.620   19.436  558.017   14.681  530.507   14.144 27.51013 20.38609 
1 1 1    9   11   12 o  793.290   10.930  816.630   22.459  832.673   32.483  801.935   31.088  800.227   15.671  785.394   15.281 14.83252 21.88788 
1 1 1    9   11   13 o  384.517   11.905  191.962   11.858  184.700   20.787  195.465   14.437  375.545   21.457  387.793   14.372 -12.24832 25.82594 
1 1 1    9   11   14 o  204.347   19.222   54.925   10.055   41.910   16.364   62.820   12.745  174.485   37.334  218.011   22.912 -43.52534 43.80415 
1 1 1    9   11   15 o  384.726   10.375  192.114   10.339  185.100   21.377  194.256   11.813  375.583   22.070  386.743   11.792 -11.15970 25.02304 
1 1 1    9   11   16 o  276.355   11.497   99.199   8.2303   96.660   18.549   99.821   9.1838  269.793   26.902  277.126   12.794 -7.333344 29.78904 
1 1 1    9   11   17 o  205.693   13.442   55.267   7.1227   54.950   15.590   55.351   8.0073  201.533   30.845  205.615   15.141 -4.081589 34.36100 
1 1 1    9   11   18 o  238.217   12.571   74.010   7.7297   68.500   16.420   75.579   8.7612  225.810   28.721  240.519   14.125 -14.70847 32.00666 
1 1 1    9   11   19 o  257.376   12.337   86.188   8.2252   56.040   16.766   95.743   9.4390  202.311   33.142  271.152   13.439 -68.84166 35.76336 
1 1 1    9   11   20 o  270.472   12.172   95.232   8.5280   84.350   19.163   97.919   9.5230  249.643   30.252  274.113   13.412 -24.47009 33.09204 
1 1 1    9   11   21 o  356.217   15.815  165.991   14.592   0.0000   0.0000  165.991   14.592  ?   ?   356.217   15.815 0.000000 15.81479 
1 1 1    9   11   22 o  120.542   22.243   19.823   6.6893   21.570   16.855   19.496   7.2877  126.453   43.022  118.999   24.460 7.453979 49.48954 
1 1 1    9   11   23 o  178.264   15.627   41.999   7.1429   43.310   16.201   41.683   7.9582  173.755   37.123  177.117   17.578 -3.361984 41.07432 
1 1 1    9   11   24 o  183.777   15.027   44.623   7.0909   32.900   16.442   47.301   7.8594  149.299   41.179  188.947   16.215 -39.64799 44.25631 
1 1 1    9   11   25 o   63.355   25.019   3.2759   6.0652  -8.6340   14.505   5.7993   6.6769   72.656   33.442   72.440   26.820 0.2166290 42.86777 
1 1 1    9   11   26 o  169.150   15.738   38.039   6.8166   48.100   16.204   35.876   7.5138  181.920   35.662  163.565   18.034 18.35492 39.96230 
1 1 1    9   11   27 o  149.528   24.305   31.009   9.0906   15.360   14.884   40.320   11.481  108.607   40.076  169.737   27.018 -61.13036 48.33253 
1 1 1    9   11   28 o   37.068   17.890  -7.7588   5.1621 -15.8736   7.8638  -1.6141   6.8429   41.711   20.543   54.869   24.302 -13.15729 31.82134 
1 1 1    9   11   29 f  111.633   21.270   17.376   5.9261   12.378   8.6357   21.824   8.1471   93.860   30.772  123.502   26.274 -29.64158 40.46342 
1 1 1    9   11   30 o  107.389   22.144   16.285   5.9553   18.130   8.7131   14.667   8.1584  110.764   29.741  100.124   29.476 10.63971 41.87313 
1 1 1    9   11   31 o  219.236   17.637   65.135   9.9312   72.070   13.532   57.040   14.621  227.033   23.343  197.555   29.473 29.47784 37.59732 
1 1 1    9   11   32 o   78.993   25.597   8.8001   5.9822   9.1646   8.9541   8.5062   8.0399   83.705   31.045   80.619   29.500 3.085976 42.82533 
1 1 1    9   11   33 o  212.104   13.683   60.213   7.4775   61.820   11.057   58.859   10.150  210.794   20.510  206.526   19.193 4.268005 28.09023 
1 1 1    9   11   34 f  215.069   13.772   62.072   7.6321   55.967   10.971   67.797   10.624  199.203   21.609  221.642   18.678 -22.43880 28.56295 
1 1 1    9   11   35 o  134.883   19.915   25.713   6.7488   33.488   10.152   19.558   9.0336  149.297   27.257  111.516   30.427 37.78060 40.85023 
1 1 1    9   11   36 o  193.828   15.148   51.220   7.5451   57.164   10.928   45.805   10.430  200.026   21.425  177.440   23.252 22.58565 31.61797 
1 1 1    9   11   37 o   73.321   30.222   5.7471   9.2773   4.9520   14.215   6.3370   12.244   80.431   35.350   79.422   33.843 1.008904 48.93873 
1 1 1    9   11   38 o  171.442   26.452   45.379   11.369   0.0000   0.0000   45.379   11.369  ?   ?   171.442   26.452 0.000000 26.45204 
1 1 1    9   11   39 o   64.068   26.521   4.1121   7.1866  -0.9586   10.451   8.6611   9.8986   63.273   28.844   78.249   31.602 -14.97563 42.78680 
1 1 1    9   11   40 o   79.884   30.081   10.240   8.4696   0.5734   14.738   15.007   10.349   72.378   33.454   91.449   33.468 -19.07039 47.32123 
1 1 1    9   11   41 o   67.078   27.429   5.6364   7.5664   3.1678   10.491   8.3126   10.923   67.646   30.019   76.588   32.268 -8.942558 44.07276 
1 1 1    9   11   42 o   98.998   29.160   17.384   7.9827   5.5952   11.255   29.317   11.324   71.310   31.396  123.271   34.240 -51.96037 46.45510 
1 1 1    9   11   43 o   99.942   29.038   18.174   7.9644   17.902   11.504   18.423   11.037   91.765   34.939   93.588   34.515 -1.823051 49.11232 
1 1 1    9   12    0 o  122.732   20.719   20.147   6.3524   3.1450   9.1691   35.839   8.8088   75.068   30.381  164.553   21.156 -89.48576 37.02168 
1 1 1    9   12    1 o  467.327   9.9983  283.211   12.103  286.427   17.463  280.239   16.790  469.658   14.354  464.590   13.952 5.067627 20.01728 
1 1 1    9   12    2 o  591.524   10.064  453.759   15.420  469.135   22.351  439.792   21.301  601.062   14.356  581.985   14.130 19.07703 20.14286 
1 1 1    9   12    3 o  514.712   9.8868  343.555   13.182  349.676   18.844  337.689   18.446  518.947   14.018  509.979   13.964 8.967224 19.78633 
1 1 1    9   12    4 o  445.364   10.043  257.233   11.586  254.914   16.445  259.518   16.326  443.049   14.330  447.052   14.099 -4.002106 20.10250 
1 1 1    9   12    5 o  153.040   16.747   30.808   6.5305   37.191   9.5317   25.161   8.9654  167.409   22.555  136.494   26.311 30.91534 34.65551 
1 1 1    9   12    6 o  804.842   10.888  840.332   22.698  872.516   32.967  811.323   31.299  819.419   15.532  790.202   15.291 29.21661 21.79572 
1 1 1    9   12    7 o  125.221   20.387   20.947   6.3853   20.701   9.4503   21.154   8.6616  123.220   29.910  124.738   27.543 -1.518387 40.65994 
1 1 1    9   12    8 o  352.528   10.527  161.219   9.6128  161.168   14.132  161.264   13.114  352.137   15.493  352.328   14.370 -0.1915588 21.13104 
1 1 1    9   12    9 o  438.672   10.323  249.638   11.729  242.184   16.952  256.484   16.247  431.664   15.161  444.330   14.116 -12.66595 20.71467 
1 1 1    9   12   10 o  143.350   19.773   27.277   7.1467   32.688   10.919   23.223   9.4526  155.570   28.132  130.552   28.731 25.01785 40.21082 
1 1 1    9   12   11 o  288.931   13.290  108.445   9.9465  111.800   17.550  106.858   12.073  291.533   23.438  286.127   16.357 5.405670 28.58130 
1 1 1    9   12   12 o  515.620   13.895  345.534   18.559  354.100   27.748  338.600   24.965  520.898   20.565  509.668   18.910 11.23010 27.93749 
1 1 1    9   12   13 o  342.139   12.720  152.083   11.273  150.696   14.969  153.900   17.133  340.161   16.989  342.940   19.366 -2.779419 25.76176 
1 1 1    9   12   14 o  826.235   11.044  886.388   23.637  851.500   46.567  898.498   27.434  806.694   22.285  831.514   12.737 -24.81989 25.66827 
1 1 1    9   12   15 f  145.346   17.918   27.965   6.6030   29.470   14.978   27.602   7.3564  145.832   38.924  143.947   20.293 1.885086 43.89650 
1 1 1    9   12   16 o  642.066   10.406  535.342   17.307  537.200   35.840  534.777   19.764  640.379   21.606  641.467   11.894 -1.087769 24.66397 
1 1 1    9   12   17 o  738.757   10.774  709.069   20.618  695.500   41.364  713.555   23.783  728.072   21.933  740.714   12.396 -12.64209 25.19329 
1 1 1    9   12   18 o  143.218   18.468   27.270   6.6916   26.140   15.178   27.542   7.4552  137.211   40.150  143.490   20.653 -6.279510 45.15052 
1 1 1    9   12   19 f  167.814   15.938   37.115   6.8448   6.0580   15.771   44.323   7.5977   97.392   39.686  183.479   16.151 -86.08681 42.84676 
1 1 1    9   12   20 o  124.411   29.148   21.512   9.2288   0.0000   0.0000   21.512   9.2288  ?   ?   124.411   29.148 0.000000 29.14775 
1 1 1    9   12   21 o  548.080   10.590  391.057   15.035  347.900   29.631  406.022   17.448  512.450   22.322  558.040   12.070 -45.59033 25.37671 
1 1 1    9   12   22 o  324.132   11.557  137.028   9.7033  142.000   22.207  135.855   10.788  324.118   26.688  322.461   12.915 1.657043 29.64890 
1 1 1    9   12   23 o  195.448   14.819   50.397   7.4466   77.170   17.930   44.817   8.1860  236.285   29.968  183.586   17.423 52.69891 34.66454 
1 1 1    9   12   24 o  119.619   22.738   19.744   6.7878   30.790   15.995   17.318   7.4963  143.980   40.944  110.975   26.452 33.00569 48.74569 
1 1 1    9   12   25 o  226.505   14.720   67.769   8.5896   68.390   17.378   67.568   9.8811  220.316   31.334  225.425   17.048 -5.108612 35.67126 
1 1 1    9   12   26 o  142.678   26.593   28.612   9.4666   17.700   15.618   34.950   11.902  114.118   41.213  156.336   30.487 -42.21761 51.26341 
1 1 1    9   12   27 o  119.739   22.791   19.990   6.8106   34.000   15.895   16.839   7.5375  148.864   40.254  108.531   26.938 40.33308 48.43584 
1 1 1    9   12   28 o  159.729   17.551   34.425   7.1418   14.160   15.703   39.710   8.0192  105.753   40.687  171.371   18.350 -65.61781 44.63371 
1 1 1    9   12   29 o   99.387   22.143   13.970   5.5546   16.016   7.8233   11.891   7.8880  104.746   28.206   91.496   29.366 13.25018 40.71726 
1 1 1    9   12   30 o   90.538   24.765   11.824   5.9757   9.2987   9.0639   13.766   7.9476   84.907   31.284   96.862   29.231 -11.95473 42.81492 
1 1 1    9   12   31 o   90.492   27.287   11.978   6.9278   11.686   9.0143   12.400   10.828   90.549   31.437   93.975   34.257 -3.425156 46.49590 
1 1 1    9   12   32 o   55.027   23.172   1.2890   5.6278   0.7406   8.2804   1.7597   7.6722   63.245   27.399   63.273   26.871 -0.2753067E-01 38.37692 
1 1 1    9   12   33 o  121.806   21.738   21.215   6.6070   18.018   9.9814   23.708   8.8143  106.954   32.858  125.438   27.853 -18.48388 43.07479 
1 1 1    9   12   34 o  203.214   14.577   55.805   7.6221   64.425   11.311   48.635   10.316  214.102   20.652  184.867   21.973 29.23479 30.15503 
1 1 1    9   12   35 o  132.572   20.708   25.136   6.8785   15.502   10.106   33.450   9.3885   98.330   33.314  150.310   24.991 -51.97949 41.64618 
1 1 1    9   12   36 o  138.869   28.001   29.928   9.7247   28.020   13.658   31.890   13.850  124.645   38.459  133.658   38.131 -9.013336 54.15829 
1 1 1    9   12   37 o   74.103   28.951   7.2815   8.0454   37.380   18.328   0.0974   8.9542  133.061   44.864   61.873   27.579 71.18875 52.66332 
1 1 1    9   12   38 o   43.670   20.929  -7.3373   6.7861  -6.2247   10.074  -8.2615   9.1816   56.174   26.509   51.298   24.521 4.875767 36.11095 
1 1 1    9   12   39 o  132.023   24.495   27.096   8.0684   37.094   11.599   17.723   11.231  147.492   31.327   97.637   34.985 49.85555 46.96129 
1 1 1    9   12   40 o   79.742   32.070   10.126   10.147   15.580   13.582   3.2360   15.265   90.642   36.871   75.054   34.457 15.58818 50.46487 
1 1 1    9   12   41 o   82.450   29.019   11.728   7.6940   5.6955   11.329   16.892   10.483   71.988   31.600   93.564   33.768 -21.57666 46.24785 
1 1 1    9   12   42 f   86.072   29.222   13.395   7.7760   10.766   11.154   15.882   10.847   78.713   32.848   89.006   33.917 -10.29263 47.21595 
1 1 1    9   12   43 o   66.605   27.417   6.5456   7.6227   8.3021   10.837   4.8252   10.724   72.528   31.383   67.143   30.037 5.385612 43.44053 
1 1 1    9   13    0 o  192.742   15.080   48.561   7.4687   53.831   11.166   44.293   10.047  202.070   21.671  183.086   21.602 18.98383 30.59823 
1 1 1    9   13    1 o  169.425   16.698   37.681   7.2329   40.510   10.618   35.232   9.8795  174.529   24.133  162.531   24.205 11.99861 34.18014 
1 1 1    9   13    2 o  289.626   11.562  108.848   8.6742  122.278   12.874   97.683   11.739  306.260   16.287  273.593   16.643 32.66714 23.28658 
1 1 1    9   13    3 o  398.336   10.378  205.822   10.708  200.582   15.341  210.801   14.954  392.895   15.074  402.842   14.331 -9.947113 20.79909 
1 1 1    9   13    4 o  328.118   11.036  139.687   9.3795  135.599   13.575  143.421   12.975  322.535   16.301  332.220   15.077 -9.684845 22.20482 
1 1 1    9   13    5 o  173.497   16.134   39.471   7.1677   18.986   10.291   58.775   9.9893  118.301   32.557  211.704   18.399 -93.40318 37.39627 
1 1 1    9   13    6 o  323.707   11.348  135.983   9.5153  146.765   14.033  126.807   12.946  335.957   16.126  311.874   16.080 24.08371 22.77288 
1 1 1    9   13    7 o  385.292   10.686  192.614   10.665  192.140   15.716  193.019   14.518  384.406   15.784  385.400   14.543 -0.9933472 21.46240 
1 1 1    9   13    8 o  989.408   13.862  1271.88   35.527  1316.00   62.911  1251.21   43.048  1003.18   24.210  980.573   16.948 22.60901 29.55277 
1 1 1    9   13    9 o  357.283   14.571  165.932   13.485  179.800   20.581  155.500   17.850  370.503   21.538  344.733   20.076 25.77036 29.44351 
1 1 1    9   13   10 f  121.911   28.507   20.300   8.8412   15.520   14.153   23.360   11.322  113.353   39.389  130.528   33.361 -17.17567 51.61839 
1 1 1    9   13   11 o  259.317   17.986   88.043   12.007   0.0000   0.0000   88.043   12.007  ?   ?   259.317   17.986 0.000000 17.98582 
1 1 1    9   13   12 o  290.910   12.254  109.941   9.2342  108.805   13.483  110.945   12.673  288.322   18.146  291.361   16.864 -3.038422 24.77218 
1 1 1    9   13   13 o  360.105   11.373  168.421   10.608  171.686   15.888  165.794   14.250  362.965   16.899  356.868   15.416 6.097015 22.87400 
1 1 1    9   13   14 o   49.036   22.735  -5.8529   6.8834   8.6857   11.061 -15.0424   8.7938   92.071   34.434   47.098   22.876 44.97274 41.34000 
1 1 1    9   13   15 o  241.493   12.713   76.050   7.9245   54.000   17.721   81.562   8.8597  198.204   35.836  249.976   13.735 -51.77129 38.37814 
1 1 1    9   13   16 o   58.242   24.414   0.7876   6.2018 -20.8400   16.305   4.4458   6.7059   68.638   32.772   69.620   26.635 -0.9821396 42.23066 
1 1 1    9   13   17 o  216.252   13.758   61.166   7.6667   59.750   17.276   61.513   8.5553  208.990   33.009  216.610   15.347 -7.619949 36.40243 
1 1 1    9   13   18 f  260.798   12.395   88.565   8.3732   98.730   19.172   86.170   9.3078  271.184   27.682  256.674   14.053 14.50909 31.04461 
1 1 1    9   13   19 o  450.457   11.986  264.316   13.986   0.0000   0.0000  264.316   13.986  ?   ?   450.457   11.986 0.000000 11.98631 
1 1 1    9   13   20 o   68.409   27.444   3.2492   7.4108   12.490   16.031   0.7378   8.3574  107.926   41.208   66.278   28.091 41.64749 49.87164 
1 1 1    9   13   21 o  141.127   19.933   26.818   7.0840   17.130   17.931   28.610   7.7113  118.427   43.930  145.538   21.068 -27.11144 48.72070 
1 1 1    9   13   22 o   49.455   22.268  -2.7239   5.9997 -23.3700   16.042   0.6333   6.4691   64.810   31.341   58.452   24.741 6.357899 39.92950 
1 1 1    9   13   23 o  229.668   13.712   69.409   8.1200   83.920   19.151   66.228   8.9659  245.359   30.812  223.817   15.562 21.54233 34.51863 
1 1 1    9   13   24 o  266.039   12.938   92.790   8.9156   96.700   20.486   91.876   9.9025  262.950   30.653  263.925   14.541 -0.9751892 33.92670 
1 1 1    9   13   25 o   86.152   31.458   8.9910   9.1358   4.5630   15.391   11.400   11.352   90.956   38.312   95.663   35.046 -4.707428 51.92293 
1 1 1    9   13   26 o  140.729   20.240   27.054   7.1659   33.390   16.199   25.513   7.9902  147.313   40.966  135.354   23.651 11.95953 47.30305 
1 1 1    9   13   27 o  192.725   15.996   49.626   7.9133   33.110   16.484   54.572   9.0207  145.303   41.648  201.590   17.447 -56.28746 45.15520 
1 1 1    9   13   28 o   95.371   26.330   13.093   6.7182   15.060   14.734   12.577   7.5487  105.505   39.686   93.610   28.542 11.89484 48.88316 
1 1 1    9   13   29 o   78.993   27.209   8.3877   6.7459   24.040   16.058   5.0335   7.4336  122.888   41.991   70.834   27.785 52.05407 50.35163 
1 1 1    9   13   30 o   91.796   31.549   12.090   9.0672   0.0000   0.0000   12.090   9.0672  ?   ?    91.796   31.549 0.000000 31.54872 
1 1 1    9   13   31 o  176.400   19.236   42.993   8.6470   26.730   17.059   48.616   10.031  124.956   43.255  186.523   21.135 -61.56736 48.14203 
1 1 1    9   13   32 o   63.524   25.336   3.8229   6.2774   14.341   9.4366  -4.5260   8.4074   96.876   32.187   55.012   25.371 41.86386 40.98429 
1 1 1    9   13   33 o   73.115   26.350   7.1583   6.3797   9.0784   9.1130   5.3129   8.9342   82.313   31.154   73.396   29.885 8.917480 43.17071 
1 1 1    9   13   34 o  157.246   18.387   34.508   7.3478   24.419   10.472   44.293   10.313  122.900   32.425  174.768   23.366 -51.86774 39.96636 
1 1 1    9   13   35 o   40.761   19.865 -10.5545   6.7843 -10.0800   10.679 -10.8755   8.7846   55.310   26.440   48.265   23.304 7.044773 35.24453 
1 1 1    9   13   36 o   79.122   34.642   5.1270   13.536   0.0000   0.0000   5.1270   13.536  ?   ?    79.122   34.642 0.000000 34.64186 
1 1 1    9   13   37 o   61.224   25.930   2.7557   7.1125  -2.1024   10.451   6.9468   9.7071   62.216   28.544   75.116   30.932 -12.89961 42.08955 
1 1 1    9   13   38 o   97.492   28.516   15.865   7.6578   14.334   11.377   17.133   10.354   90.277   34.656   97.384   33.700 -7.106491 48.33979 
1 1 1    9   13   39 o   52.826   24.079  -1.5273   7.2795  -9.1356   10.744   4.9291   9.8975   54.197   26.068   69.836   30.105 -15.63956 39.82285 
1 1 1    9   13   40 o   59.224   26.642   0.5318   8.5657 -12.7234   11.247   18.840   13.218   52.069   25.420   95.448   37.158 -43.37897 45.02104 
1 1 1    9   13   41 o  182.701   17.690   48.641   8.2669   42.433   11.056   56.513   12.450  158.445   27.961  184.821   26.786 -26.37674 38.72072 
1 1 1    9   13   42 o  133.803   24.628   29.406   8.2212   36.535   11.714   22.488   11.541  137.325   33.280  101.399   35.550 35.92546 48.69655 
1 1 1    9   14    0 o  583.723   14.234  442.717   21.523  466.400   31.758  422.600   29.269  598.105   20.498  569.447   19.843 28.65796 28.52947 
1 1 1    9   14    1 o  149.423   25.728   30.026   9.5988   48.870   14.304   14.590   12.946  190.695   29.945  109.593   37.696 81.10205 48.14286 
1 1 1    9   14    2 o  497.170   13.918  321.127   17.924  345.000   26.431  300.800   24.389  514.498   19.833  480.447   19.598 34.05148 27.88178 
1 1 1    9   14    3 o  151.796   24.987   30.914   9.4827   24.730   14.094   36.030   12.818  134.853   38.463  162.822   31.531 -27.96906 49.73577 
1 1 1    9   14    4 o  188.434   20.503   46.842   9.8459   71.280   15.379   29.870   12.817  231.893   26.055  147.578   34.197 84.31520 42.99159 
1 1 1    9   14    5 o  284.696   16.139  105.770   11.853  113.500   17.619   99.380   16.019  293.781   23.346  274.899   22.700 18.88150 32.56223 
1 1 1    9   14    6 o  140.116   23.880   26.376   8.3562   16.441   11.157   39.070   12.611  111.743   34.807  170.018   29.718 -58.27562 45.76741 
1 1 1    9   14    7 o  391.075   12.388  198.626   12.549  197.849   16.176  199.800   19.888  389.950   16.014  390.923   19.704 -0.9730225 25.39088 
1 1 1    9   14    8 o  288.397   12.349  108.027   9.2250  115.844   13.644  101.446   12.520  297.674   17.777  278.544   17.441 19.13016 24.90353 
1 1 1    9   14    9 o  673.002   10.670  587.917   18.601  588.804   26.558  587.062   26.060  672.735   15.241  671.791   14.976 0.9439087 21.36711 
1 1 1    9   14   10 o  373.207   11.197  180.857   10.824  172.532   15.713  188.376   14.933  363.949   16.667  380.480   15.152 -16.53140 22.52465 
1 1 1    9   14   11 f  124.507   24.333   21.015   7.5662   22.882   11.322   19.509   10.171  128.980   33.566  119.376   32.166 9.603699 46.48985 
1 1 1    9   14   12 o  270.395   13.002   95.063   9.1064   88.013   13.566  100.844   12.286  258.661   20.413  277.576   17.172 -18.91501 26.67522 
1 1 1    9   14   13 o  396.676   11.020  204.407   11.323  228.056   16.823  184.824   15.309  418.378   15.524  376.616   15.693 41.76184 22.07388 
1 1 1    9   14   14 o  602.604   10.753  471.768   16.784  474.896   24.407  468.962   23.119  603.565   15.611  599.962   14.876 3.603394 21.56401 
1 1 1    9   14   15 o   88.059   29.746   9.6717   8.0573  -3.7190   17.303   13.379   9.1047   88.127   38.857  100.454   31.468 -12.32686 50.00143 
1 1 1    9   14   16 f  235.480   13.233   72.449   8.0392   76.910   18.193   71.367   8.9615  238.484   30.123  233.437   14.898 5.047089 33.60562 
1 1 1    9   14   17 o  206.924   14.709   56.166   7.8325   44.520   18.644   58.662   8.6312  176.710   41.447  211.275   15.888 -34.56470 44.38813 
1 1 1    9   14   18 o  342.128   12.757  152.618   11.305   0.0000   0.0000  152.618   11.305  ?   ?   342.128   12.757 0.000000 12.75688 
1 1 1    9   14   19 o  167.279   21.243   37.561   8.9972   23.370   19.510   41.395   10.140  132.118   46.228  175.261   22.882 -43.14304 51.58084 
1 1 1    9   14   20 o  132.562   20.967   23.821   6.9602   33.540   17.499   21.994   7.5861  151.231   42.763  126.442   24.041 24.78907 49.05760 
1 1 1    9   14   21 o  148.379   18.490   29.521   6.9525   30.940   17.910   29.270   7.5441  144.678   43.930  147.225   20.324 -2.547028 48.40328 
1 1 1    9   14   22 o  267.267   12.771   93.534   8.8415   95.090   20.993   93.198   9.7482  260.721   31.739  266.084   14.195 -5.363281 34.76896 
1 1 1    9   14   23 o  140.883   19.768   26.915   7.0154   34.610   18.172   25.567   7.6050  150.571   43.895  136.440   22.288 14.13168 49.22965 
1 1 1    9   14   24 o  185.894   23.289   47.335   10.968   38.420   18.077   52.530   13.798  157.895   43.025  193.567   28.361 -35.67152 51.53147 
1 1 1    9   14   25 f  178.555   16.265   42.582   7.4403   41.610   17.128   42.808   8.2604  164.812   40.426  178.386   18.129 -13.57330 44.30510 
1 1 1    9   14   26 o   69.895   26.218   5.4160   6.4215   29.520   15.388   0.3335   7.0662  137.937   40.445   59.452   25.531 78.48516 47.82930 
1 1 1    9   14   27 f   55.283   23.771   0.2029   6.1403   4.9340   14.405  -0.8478   6.7879   87.554   36.981   55.784   24.475 31.77013 44.34649 
1 1 1    9   14   28 o  178.558   16.548   43.006   7.5667   35.140   16.067   45.247   8.5774  147.481   40.720  182.343   18.412 -34.86198 44.68904 
1 1 1    9   14   29 o  187.634   16.065   47.520   7.7328   30.940   16.606   52.111   8.7381  135.824   42.490  195.875   17.403 -60.05162 45.91580 
1 1 1    9   14   30 o   58.531   26.121  -1.5574   8.0577  -4.2880   16.573  -0.7120   9.2210   78.283   35.926   63.808   28.238 14.47554 45.69517 
1 1 1    9   14   31 f  122.252   22.921   21.564   6.9916   23.480   15.857   21.101   7.7897  117.514   41.628  119.286   25.949 -1.772179 49.05343 
1 1 1    9   14   32 o   86.837   26.297   11.241   6.4238   0.5180   14.701   13.772   7.1418   78.257   35.076   95.266   27.445 -17.00933 44.53750 
1 1 1    9   14   33 o  131.831   25.143   25.836   8.2726   14.510   16.651   29.548   9.5322   99.221   40.645  139.637   27.332 -40.41682 48.97998 
1 1 1    9   14   34 o  124.039   21.010   22.223   6.5096   4.6251   9.9834   35.238   8.5857   73.153   30.837  156.185   21.818 -83.03185 37.77431 
1 1 1    9   14   35 o  170.085   25.657   43.761   10.952   61.260   15.842   27.740   15.158  193.528   32.772  120.343   40.799 73.18447 52.33144 
1 1 1    9   14   36 o  110.814   25.784   19.221   7.2619   19.178   11.075   19.253   9.6181  103.673   34.876  105.899   32.201 -2.226494 47.46812 
1 1 1    9   14   37 o   83.705   28.112   11.372   7.1958   8.6175   11.140   13.345   9.4265   79.150   32.912   88.547   32.012 -9.396454 45.91245 
1 1 1    9   14   38 o   62.525   26.402   3.6076   7.3391   5.6958   11.010   1.9379   9.8452   72.914   31.591   65.019   28.955 7.894470 42.85306 
1 1 1    9   14   39 o  199.939   19.991   59.233   10.215   79.750   18.552   50.307   12.236  206.529   35.986  174.304   28.054 32.22513 45.62887 
1 1 1    9   14   40 o   39.686   19.587 -12.4177   7.2787  -9.5995   10.448 -15.0753   10.146   52.043   25.197   46.954   23.165 5.088913 34.22774 
1 1 1    9   14   41 o   64.486   27.157   5.1803   7.7308   8.6180   10.935   1.7453   10.931   74.172   31.804   64.160   29.346 10.01172 43.27387 
1 1 1    9   14   42 o   70.773   28.449   8.4767   7.9814   5.2309   11.351   11.651   11.225   67.816   30.573   77.536   32.692 -9.720047 44.75997 
1 1 1    9   15    0 o  298.208   12.344  115.492   9.5351  106.597   13.855  123.496   13.143  285.364   18.849  307.593   16.556 -22.22946 25.08811 
1 1 1    9   15    1 o  192.636   16.418   48.641   8.1141   43.818   12.280   52.380   10.810  180.832   27.046  199.185   21.282 -18.35236 34.41521 
1 1 1    9   15    2 o  108.307   26.288   15.992   7.3006   13.750   10.920   17.804   9.8166  104.359   34.623  114.507   31.907 -10.14793 47.08326 
1 1 1    9   15    3 o  349.736   11.381  158.797   10.310  164.422   15.110  153.895   14.104  355.419   16.412  343.912   15.832 11.50720 22.80395 
1 1 1    9   15    4 o  390.830   10.994  198.282   11.130  208.304   16.442  189.806   15.120  400.095   15.865  381.981   15.282 18.11304 22.02775 
1 1 1    9   15    5 o  588.020   10.572  448.786   16.102  480.602   23.831  422.056   21.843  607.820   15.136  569.651   14.803 38.16919 21.17175 
1 1 1    9   15    6 o  381.397   16.414  189.404   16.216  189.404   16.216   0.0000   0.0000  381.397   16.414  ?   ?  0.000000 16.41407 
1 1 1    9   15    7 o  215.990   15.160   61.000   8.4280   69.562   12.664   54.193   11.292  229.682   21.537  202.418   21.884 27.26373 30.70465 
1 1 1    9   15    8 o  316.954   12.363  130.536   10.150  133.984   14.973  127.605   13.806  320.010   18.138  312.448   17.124 7.561279 24.94412 
1 1 1    9   15    9 o  500.006   10.706  324.626   13.866  339.030   20.111  311.576   19.142  510.314   15.214  489.234   15.105 21.08038 21.43927 
1 1 1    9   15   10 o  249.737   13.838   81.387   8.9169   72.460   13.662   88.011   11.769  234.029   22.828  259.146   17.638 -25.11656 28.84792 
1 1 1    9   15   11 o  368.694   11.468  176.634   10.952  188.138   16.362  167.296   14.742  379.826   16.631  358.278   15.885 21.54828 22.99817 
1 1 1    9   15   12 o  146.779   21.524   28.823   7.9402   26.714   11.932   30.499   10.637  138.862   33.549  149.493   28.510 -10.63158 44.02688 
1 1 1    9   15   13 o  187.025   17.499   46.089   8.3788   64.363   13.209   33.786   10.839  219.985   23.546  157.652   27.544 62.33292 36.23622 
1 1 1    9   15   14 o  309.324   12.692  124.548   10.170  125.679   15.615  123.715   13.402  309.052   19.607  307.238   16.905 1.813507 25.88840 
1 1 1    9   15   15 o  424.966   11.437  234.954   12.590  212.794   18.374  254.568   17.286  403.195   17.593  441.610   15.112 -38.41507 23.19209 
1 1 1    9   15   16 o  288.849   11.974  108.654   8.9594   87.430   21.868  112.935   9.8215  252.167   34.375  294.358   12.881 -42.19106 36.70930 
1 1 1    9   15   17 o  223.222   15.272   65.482   8.7776   0.0000   0.0000   65.482   8.7776  ?   ?   223.222   15.272 0.000000 15.27242 
1 1 1    9   15   18 o  318.741   14.272  132.897   11.784  124.600   22.758  135.936   13.774  302.575   29.408  321.395   16.602 -18.81946 33.77081 
1 1 1    9   15   19 o   61.531   25.176   2.0505   6.3790   18.190   17.246  -0.5075   6.8659  119.254   43.271   57.748   24.984 61.50534 49.96577 
1 1 1    9   15   20 o  196.000   15.470   50.794   7.7904   38.340   18.876   53.351   8.5528  159.795   44.142  200.594   16.610 -40.79881 47.16326 
1 1 1    9   15   21 o  179.900   16.599   43.055   7.6480   55.990   19.966   40.831   8.2795  194.116   40.993  174.563   18.597 19.55344 45.01440 
1 1 1    9   15   22 o   52.973   23.348  -1.3600   6.2414 -22.8300   17.717   1.6822   6.6689   69.231   33.344   61.343   25.483 7.888386 41.96628 
1 1 1    9   15   23 o  190.280   22.855   49.508   11.039   40.760   18.980   53.980   13.571  161.879   44.077  196.643   27.386 -34.76485 51.89228 
1 1 1    9   15   24 o  142.725   19.724   27.760   7.0972   19.680   17.417   29.369   7.7717  118.450   43.407  146.363   21.109 -27.91339 48.26759 
1 1 1    9   15   25 f   60.963   25.161   2.0742   6.4410  -2.6700   16.170   2.9688   7.0221   82.085   36.790   65.144   26.506 16.94129 45.34459 
1 1 1    9   15   26 o   38.236   18.571  -9.4145   5.7920  -0.9009   14.770 -10.9616   6.2963   80.269   35.620   39.035   19.049 41.23324 40.39360 
1 1 1    9   15   27 o  137.711   20.870   26.353   7.2114   34.970   15.875   24.112   8.0949  147.343   40.390  129.786   24.985 17.55724 47.49317 
1 1 1    9   15   28 o   47.555   22.009  -4.4064   6.4100  -6.0250   14.221  -3.9937   7.1808   71.665   33.032   51.522   23.646 20.14290 40.62316 
1 1 1    9   15   29 o  102.824   32.414   16.217   9.6436   0.0000   0.0000   16.217   9.6436  ?   ?   102.824   32.414 0.000000 32.41356 
1 1 1    9   15   30 o  201.849   15.291   55.104   7.9353   40.110   17.062   59.243   8.9638  151.751   41.987  208.467   16.741 -56.71555 45.20173 
1 1 1    9   15   31 o  171.830   18.117   40.871   7.9420   40.240   18.524   41.013   8.7911  147.380   44.660  170.790   20.267 -23.41039 49.04350 
1 1 1    9   15   32 o  109.694   26.479   18.295   7.4380   11.030   15.917   20.325   8.4131   93.315   39.115  114.527   28.479 -21.21231 48.38419 
1 1 1    9   15   33 o  124.694   24.236   23.164   7.5461   18.150   17.235   24.353   8.3934  103.650   41.757  126.383   26.486 -22.73288 49.44844 
1 1 1    9   15   34 o  126.187   32.966   26.719   10.894   0.0000   0.0000   26.719   10.894  ?   ?   126.187   32.966 0.000000 32.96631 
1 1 1    9   15   35 o   99.560   31.060   16.648   8.8804   17.560   18.351   16.369   10.148   98.868   41.749   97.529   33.381 1.338928 53.45332 
1 1 1    9   15   36 o  189.153   16.748   50.364   8.1210   48.504   11.365   52.303   11.608  176.820   25.555  184.356   24.950 -7.535339 35.71489 
1 1 1    9   15   37 f   58.314   25.651   1.2502   7.4982  -0.3932   11.046   2.6544   10.211   64.409   29.474   66.916   29.660 -2.507370 41.81434 
1 1 1    9   15   38 o  103.540   28.584   18.459   7.9180   19.091   11.786   17.940   10.689   97.730   35.724   96.451   34.177 1.279488 49.43951 
1 1 1    9   15   39 o   95.413   34.568   18.293   11.001   17.310   15.793   19.220   15.332   90.077   38.411   93.096   38.653 -3.018135 54.49245 
1 1 1    9   15   40 o   67.691   27.764   6.5566   7.7816   12.628   11.357   1.1845   10.683   81.597   33.513   63.212   28.948 18.38526 44.28438 
1 1 1    9   15   41 o   45.972   21.969  -5.5286   7.3590  -9.8912   11.004  -1.9992   9.8978   51.879   25.286   56.814   26.643 -4.935684 36.73216 
1 1 1    9   15   42 o   92.113   40.613   28.410   18.900   28.410   18.900   0.0000   0.0000   92.113   40.613  ?   ?  0.000000 40.61287 
1 1 1    9   16    0 o   64.833   27.130   1.0416   7.6378   8.6523   11.104  -5.7927   10.522   92.232   34.499   64.484   29.220 27.74790 45.21046 
1 1 1    9   16    1 f  269.187   13.803   94.466   9.5923   72.762   13.775  114.898   13.365  234.653   22.957  296.398   17.486 -61.74475 28.85795 
1 1 1    9   16    2 o  112.422   26.312   17.262   7.5266   32.911   11.688   6.1736   9.8381  155.409   30.121   83.441   32.176 71.96864 44.07487 
1 1 1    9   16    3 o  131.706   24.174   23.439   7.9434   4.3953   11.824   39.103   10.724   85.299   34.508  170.904   24.960 -85.60509 42.58853 
1 1 1    9   16    4 f  442.124   11.030  253.837   12.632  247.656   18.247  259.525   17.503  436.048   16.155  446.530   15.133 -10.48178 22.13574 
1 1 1    9   16    5 o   97.558   28.509   12.789   7.6570   11.221   11.723   13.955   10.112   99.291   35.726  103.600   33.249 -4.308456 48.80385 
1 1 1    9   16    6 o  116.163   26.691   18.455   7.8628   8.0936   11.964   26.332   10.432   92.909   35.570  138.607   29.931 -45.69744 46.48709 
1 1 1    9   16    7 o  581.049   10.788  438.476   16.237  444.039   23.586  433.464   22.385  583.847   15.596  576.982   14.978 6.865295 21.62312 
1 1 1    9   16    8 o  619.978   10.814  499.262   17.367  514.596   25.300  485.598   23.883  628.461   15.542  610.599   15.100 17.86218 21.66928 
1 1 1    9   16    9 o  387.227   16.659  195.600   16.710  195.600   16.710   0.0000   0.0000  387.227   16.659  ?   ?  0.000000 16.65924 
1 1 1    9   16   10 o  183.040   17.699   44.162   8.2869   46.008   12.721   42.800   10.922  184.705   27.422  178.813   24.203 5.892242 36.57503 
1 1 1    9   16   11 o  101.880   28.338   14.168   7.7505   6.9427   11.837   19.589   10.254   89.888   35.117  119.189   32.374 -29.30115 47.76278 
1 1 1    9   16   12 o  271.986   13.502   96.359   9.5124   83.415   14.408  106.359   12.665  250.862   22.409  284.733   17.253 -33.87065 28.28135 
1 1 1    9   16   13 f  116.823   26.434   18.786   7.8125   0.6739   12.246   31.218   10.145   79.450   33.850  151.300   26.871 -71.85078 43.21856 
1 1 1    9   16   14 o  213.073   17.192   59.822   9.4078   66.592   14.796   55.227   12.189  222.513   26.172  203.115   23.608 19.39755 35.24578 
1 1 1    9   16   15 o  423.528   11.489  233.584   12.605  215.435   18.353  249.789   17.342  405.300   17.481  437.054   15.318 -31.75345 23.24307 
1 1 1    9   16   16 o   76.714   33.312  -0.8354   12.297   14.190   17.144 -16.7600   17.649  112.752   42.718   75.016   35.305 37.73570 55.41892 
1 1 1    9   16   17 o  220.853   17.921   64.628   10.164   63.020   21.519   65.090   11.531  208.632   41.280  220.926   20.379 -12.29443 46.03687 
1 1 1    9   16   18 o  172.189   17.748   39.494   7.8024   50.860   20.654   37.601   8.4268  184.881   43.801  167.399   19.819 17.48227 48.07585 
1 1 1    9   16   19 o  152.977   19.188   31.480   7.4361   37.800   19.959   30.461   8.0129  157.764   46.006  149.830   21.241 7.933762 50.67326 
1 1 1    9   16   20 o   57.460   24.429   0.5032   6.3536 -29.4700   18.063   4.7353   6.7874   66.031   32.231   69.599   26.756 -3.567596 41.88973 
1 1 1    9   16   21 o  116.612   31.467   19.633   9.7252   16.900   18.835   20.626   11.356  116.208   44.596  119.022   34.701 -2.813568 56.50591 
1 1 1    9   16   22 o  103.880   33.003   15.319   9.9824   7.1490   18.879   18.490   11.761  101.001   42.481  113.005   35.814 -12.00451 55.56319 
1 1 1    9   16   23 o   88.441   26.255   10.995   6.4505   5.1580   17.010   11.975   6.9712   94.218   40.012   92.037   27.287 2.181007 48.43094 
1 1 1    9   16   24 o   60.705   25.264   1.7804   6.5717 -16.6500   16.710   5.1526   7.1476   70.040   33.368   71.000   27.413 -0.9596786 43.18421 
1 1 1    9   16   25 o   92.584   26.021   12.310   6.4998  -0.5798   15.482   15.069   7.1616   82.231   36.481  101.988   26.770 -19.75627 45.24916 
1 1 1    9   16   26 o  119.447   23.556   20.315   7.0293   3.2060   16.198   24.284   7.8023   87.766   38.172  130.697   23.928 -42.93147 45.05162 
1 1 1    9   16   27 o   83.070   27.021   9.7927   6.6636   6.5480   15.776   10.497   7.3516   90.557   38.497   85.856   28.404 4.701462 47.84194 
1 1 1    9   16   28 f   93.545   28.634   13.043   7.5881   0.0000   0.0000   13.043   7.5881  ?   ?    93.545   28.634 0.000000 28.63424 
1 1 1    9   16   29 o  167.707   22.210   39.958   9.4109   45.080   17.122   37.740   11.265  162.420   40.761  158.651   28.458 3.768463 49.71233 
1 1 1    9   16   30 o   68.425   26.919   5.1102   6.9966   0.2729   14.908   6.4766   7.9234   78.188   35.163   73.876   28.767 4.311813 45.43090 
1 1 1    9   16   31 o   61.051   25.580   2.4204   6.8031   1.7600   15.974   2.5667   7.5192   81.151   36.455   63.522   26.768 17.62897 45.22762 
1 1 1    9   16   32 o   49.365   22.531  -2.6538   6.4006 -21.2000   15.934   0.9144   6.9893   60.981   29.873   58.130   25.178 2.851322 39.06847 
1 1 1    9   16   33 o   97.548   33.879   15.916   10.470   0.0000   0.0000   15.916   10.470  ?   ?    97.548   33.879 0.000000 33.87923 
1 1 1    9   16   34 o  158.000   22.538   36.976   8.9627   16.910   17.331   44.302   10.472   97.896   40.908  171.512   24.247 -73.61652 47.55366 
1 1 1    9   16   35 o   58.019   25.393   1.1252   7.2673   1.6710   16.629   0.9964   8.0798   77.234   35.641   60.084   26.519 17.15032 44.42505 
1 1 1    9   16   36 o   61.164   26.294   2.7222   7.5090   22.640   16.861  -2.2052   8.3865  101.680   41.182   55.364   25.462 46.31595 48.41817 
1 1 1    9   16   37 o   88.784   28.987   13.695   7.6655   17.060   16.238   12.730   8.6954   91.443   38.970   85.049   30.746 6.394310 49.63810 
1 1 1    9   16   38 f   83.627   33.007   12.874   10.552   0.0000   0.0000   12.874   10.552  ?   ?    83.627   33.007 0.000000 33.00727 
1 1 1    9   16   39 o   44.025   21.281  -7.8234   7.3759 -14.7908   8.9560   6.8660   13.004   43.276   21.426   73.563   32.980 -30.28711 39.32901 
1 1 1    9   16   40 o   68.507   27.755   7.3792   7.6613   6.5530   11.632   8.0122   10.182   70.463   31.419   71.566   30.687 -1.103058 43.91896 
1 1 1    9   16   41 o   53.947   24.702   0.1064   7.7756  -2.0212   11.656   1.8121   10.437   59.091   28.071   61.310   28.273 -2.219429 39.84163 
1 1 1    9   17    0 o  709.216   11.091  653.392   20.376  716.034   30.539  603.129   27.355  741.269   15.905  680.421   15.521 60.84845 22.22279 
1 1 1    9   17    1 o  547.414   11.033  389.259   15.644  391.161   22.480  387.472   21.785  547.890   15.840  545.388   15.421 2.502625 22.10640 
1 1 1    9   17    2 o  190.263   18.026   47.672   8.7780   68.964   13.705   32.863   11.430  228.043   23.541  155.207   29.509 72.83577 37.74847 
1 1 1    9   17    3 o  610.151   10.973  483.610   17.342  504.044   25.498  466.024   23.655  621.903   15.829  598.117   15.268 23.78632 21.99236 
1 1 1    9   17    4 o  238.305   15.361   74.294   9.4318   79.014   14.265   70.627   12.572  244.367   22.800  231.261   21.224 13.10687 31.14915 
1 1 1    9   17    5 o  590.538   10.913  453.066   16.693  469.015   24.353  438.932   22.926  599.857   15.673  580.399   15.249 19.45807 21.86747 
1 1 1    9   17    6 o  357.331   12.246  166.038   11.335  194.714   17.402  144.906   14.938  386.172   17.397  332.697   17.395 53.47507 24.60125 
1 1 1    9   17    7 o  813.305   11.481  859.847   24.186  898.224   35.482  826.540   33.055  829.634   16.511  796.013   16.031 33.62103 23.01341 
1 1 1    9   17    8 o  382.771   11.622  190.505   11.523  187.357   16.966  193.201   15.700  378.694   17.296  384.838   15.750 -6.144958 23.39249 
1 1 1    9   17    9 o  104.971   28.266   15.117   7.8570  -0.5697   12.024   26.807   10.379   76.950   33.177  139.497   29.639 -62.54677 44.48804 
1 1 1    9   17   10 f  326.802   12.538  139.030   10.613  140.800   15.493  137.466   14.568  327.429   18.341  323.733   17.437 3.696564 25.30702 
1 1 1    9   17   11 o  419.179   11.503  228.626   12.490  228.986   18.151  228.301   17.213  418.432   16.746  418.006   15.898 0.4261475 23.09048 
1 1 1    9   17   12 o  248.504   15.032   80.949   9.6304   66.088   14.832   91.781   12.663  221.575   26.359  263.849   18.648 -42.27380 32.28864 
1 1 1    9   17   13 o  283.767   18.181  106.123   13.293   0.0000   0.0000  106.123   13.293  ?   ?   283.767   18.181 0.000000 18.18096 
1 1 1    9   17   14 o  255.356   18.516   86.194   12.164   95.390   22.420   82.358   14.481  262.893   33.699  248.295   22.769 14.59738 40.66972 
1 1 1    9   17   15 o  109.388   38.399   15.340   13.466   35.380   19.945  -1.4500   18.256  155.120   46.193   91.719   40.192 63.40118 61.23044 
1 1 1    9   17   16 o  227.747   16.462   68.538   9.6462   72.160   14.977   65.971   12.610  230.619   25.499  221.605   22.268 9.013519 33.85359 
1 1 1    9   17   17 o  225.131   19.253   67.614   11.120   64.840   21.411   68.639   13.012  210.426   40.754  225.637   22.566 -15.21092 46.58433 
1 1 1    9   17   18 o   62.850   25.782   2.1900   6.7113   16.510   19.166   0.1887   7.1650  117.053   44.970   60.128   25.762 56.92570 51.82628 
1 1 1    9   17   19 o  280.470   12.949  103.174   9.4075   87.890   22.014  106.589   10.406  247.278   35.376  284.740   14.108 -37.46214 38.08551 
1 1 1    9   17   20 o  105.498   33.868   15.758   10.492   23.030   18.054   12.050   12.892  126.018   44.441   99.261   37.164 26.75726 57.93288 
1 1 1    9   17   21 o   48.805   22.340  -3.8421   6.3526 -23.8300   16.272  -0.2480   6.9001   64.149   31.149   57.799   25.026 6.349354 39.95705 
1 1 1    9   17   22 o   59.549   24.611   1.8757   6.1751   19.820   17.145  -0.7991   6.6194  117.876   43.087   55.412   24.244 62.46349 49.43936 
1 1 1    9   17   23 o  212.636   14.746   60.158   8.0717   53.100   18.640   61.787   8.9548  185.043   40.050  214.922   16.204 -29.87912 43.20407 
1 1 1    9   17   24 o  139.197   19.936   26.692   6.9829   33.180   17.175   25.406   7.6432  142.848   42.940  134.581   22.735 8.266907 48.58698 
1 1 1    9   17   25 o  101.537   26.421   15.060   7.0157   13.120   17.327   15.440   7.6728  103.466   41.803  102.361   28.089 1.104805 50.36289 
1 1 1    9   17   26 o  152.618   18.829   32.082   7.2859   8.6970   16.737   37.549   8.0929   94.898   39.961  165.022   19.297 -70.12427 44.37627 
1 1 1    9   17   27 o  221.182   16.719   66.468   9.5082   0.0000   0.0000   66.468   9.5082  ?   ?   221.182   16.719 0.000000 16.71916 
1 1 1    9   17   28 o   63.825   27.619   1.0941   8.3949 -30.7300   18.114   9.7989   9.4737   61.945   30.634   84.825   31.839 -22.87995 44.18360 
1 1 1    9   17   29 o   67.578   25.722   5.4676   6.2337 -18.6300   17.035   9.1933   6.6983   66.004   32.009   79.760   27.121 -13.75610 41.95389 
1 1 1    9   17   30 o   96.555   27.741   14.408   7.3054  -6.1180   16.571   19.360   8.1391   74.079   34.654  111.694   28.144 -37.61533 44.64286 
1 1 1    9   17   31 o   93.730   27.609   13.685   7.1561   13.280   17.438   13.767   7.8474   96.194   40.662   93.470   29.204 2.723907 50.06308 
1 1 1    9   17   32 o  128.934   33.505   28.126   11.292   0.0000   0.0000   28.126   11.292  ?   ?   128.934   33.505 0.000000 33.50535 
1 1 1    9   17   33 o  161.272   23.422   38.893   9.4982   19.810   18.776   45.456   11.011  101.978   42.593  172.586   25.389 -70.60832 49.58631 
1 1 1    9   17   34 o   81.889   28.065   10.748   7.1731 -13.8600   16.638   16.365   7.9498   64.748   31.453   98.931   29.088 -34.18353 42.84212 
1 1 1    9   17   35 o   54.248   24.543  -0.9170   7.3905  -2.7400   16.591  -0.4657   8.2547   71.725   33.900   57.522   25.989 14.20318 42.71616 
1 1 1    9   17   36 o   95.238   29.197   15.892   7.8860   14.440   17.655   16.254   8.8141   88.010   39.005   94.628   31.092 -6.618027 49.88063 
1 1 1    9   17   37 f   69.101   27.816   6.9142   7.6415 -15.9100   18.681   11.501   8.3741   63.838   31.483   80.819   30.013 -16.98132 43.49689 
1 1 1    9   17   38 o   65.639   29.565   3.1360   10.587   0.0000   0.0000   3.1360   10.587  ?   ?    65.639   29.565 0.000000 29.56482 
1 1 1    9   17   39 o   71.739   28.016   8.7219   7.5319   13.570   19.153   7.8351   8.1918   81.322   37.779   69.930   28.561 11.39172 47.36069 
1 1 1    9   17   40 o   73.332   30.484   9.9279   9.5533   15.160   18.228   7.9466   11.217   80.066   37.077   70.582   31.195 9.484154 48.45462 
1 1 1    9   18    0 o  414.514   11.877  223.437   12.752  208.063   18.508  237.333   17.596  398.975   17.909  426.523   15.926 -27.54764 23.96605 
1 1 1    9   18    1 o  740.719   11.288  713.215   21.658  757.292   32.019  676.041   29.405  761.778   16.227  719.904   15.769 41.87482 22.62660 
1 1 1    9   18    2 o  692.316   11.179  623.027   20.048  663.018   29.632  589.269   27.225  712.820   16.048  672.134   15.637 40.68610 22.40686 
1 1 1    9   18    3 o   98.493   30.322   12.937   8.4951   14.024   12.739   12.066   11.400  106.986   37.360  100.248   35.319 6.737717 51.41164 
1 1 1    9   18    4 o  291.123   18.809  111.386   14.108   0.0000   0.0000  111.386   14.108  ?   ?   291.123   18.809 0.000000 18.80931 
1 1 1    9   18    5 o  355.529   12.131  164.455   11.171  175.044   16.556  155.603   15.137  365.904   17.467  345.084   16.934 20.82013 24.32861 
1 1 1    9   18    6 o  171.346   19.821   38.997   8.6349   35.344   12.451   42.382   11.986  160.195   31.126  176.960   27.004 -16.76428 41.20756 
1 1 1    9   18    7 o  256.973   14.789   86.431   9.8025   85.841   14.127   86.979   13.613  254.585   21.628  256.525   20.661 -1.939911 29.91049 
1 1 1    9   18    8 o  661.227   15.893  571.293   27.222  571.293   27.222   0.0000   0.0000  661.227   15.893  ?   ?  0.000000 15.89338 
1 1 1    9   18    9 o  804.654   11.561  842.739   24.096  855.295   34.923  831.330   33.289  808.468   16.676  797.330   16.118 11.13818 23.19258 
1 1 1    9   18   10 o  502.208   11.159  328.265   14.516  329.909   21.031  326.769   20.062  502.112   16.170  499.926   15.492 2.185547 22.39377 
1 1 1    9   18   11 o  326.437   13.404  139.070   11.334  132.115   17.198  144.409   15.069  315.721   21.152  331.279   17.624 -15.55801 27.53179 
1 1 1    9   18   12 o   68.537   31.561  -8.7168   12.940  -3.0020   18.382 -14.3300   18.218   90.527   39.976   78.671   36.647 11.85596 54.23179 
1 1 1    9   18   13 o  483.943   17.250  307.912   21.624  303.800   31.017  311.800   30.162  476.072   25.242  483.586   24.079 -7.513977 34.88488 
1 1 1    9   18   14 o  334.449   13.256  146.295   11.484  151.586   16.817  141.671   15.720  338.099   19.283  327.075   18.632 11.02365 26.81391 
1 1 1    9   18   15 o  433.275   12.025  245.295   13.496  235.433   19.956  253.607   18.321  422.058   18.254  439.021   16.111 -16.96259 24.34648 
1 1 1    9   18   16 o  229.758   17.083   70.078   10.094   57.298   15.373   79.764   13.383  202.359   30.258  243.559   21.432 -41.19978 37.07907 
1 1 1    9   18   17 o   69.610   28.996   2.2548   8.6683  -8.9825   13.973   9.2850   11.052   70.433   32.562   90.718   34.316 -20.28505 47.30589 
1 1 1    9   18   18 o   71.476   31.124  -0.3497   10.794  -8.3850   19.376   3.2660   12.997   84.853   38.905   83.382   35.169 1.470779 52.44482 
1 1 1    9   18   19 o  176.190   20.070   42.086   8.9960   32.160   19.815   44.663   10.096  143.234   46.597  180.771   22.017 -37.53781 51.53625 
1 1 1    9   18   20 o   64.073   26.330   2.4719   7.0157   10.580   17.132   0.8382   7.6901  102.289   41.483   62.898   26.812 39.39138 49.39309 
1 1 1    9   18   21 o   66.709   25.886   4.3467   6.3987   5.7520   16.028   4.0802   6.9790   92.549   39.045   67.734   26.809 24.81493 47.36325 
1 1 1    9   18   22 o   96.918   26.232   13.530   6.7461   22.140   16.814   11.878   7.3649  120.684   42.853   91.286   28.254 29.39756 51.32904 
1 1 1    9   18   23 o  223.270   14.541   66.458   8.3637   55.960   18.493   69.158   9.3775  189.098   39.048  227.081   16.046 -37.98337 42.21661 
1 1 1    9   18   24 o  116.535   23.839   19.471   6.9535   20.420   17.013   19.281   7.6190  115.126   42.774  114.939   26.176 0.1861191 50.14758 
1 1 1    9   18   25 o   86.264   27.266   10.789   6.8204   31.350   17.263   6.9855   7.4245  134.991   43.454   75.328   28.203 59.66263 51.80466 
1 1 1    9   18   26 o   60.538   25.389   2.0158   6.7116   15.790   16.465  -0.7290   7.3500  103.890   41.160   57.219   25.272 46.67093 48.29923 
1 1 1    9   18   27 o   69.550   29.210   3.4278   8.9052   0.0000   0.0000   3.4278   8.9052  ?   ?    69.550   29.210 0.000000 29.21026 
1 1 1    9   18   28 o  170.615   18.365   40.512   7.9886   39.840   18.860   40.659   8.8188  144.316   45.304  169.527   20.499 -25.21098 49.72585 
1 1 1    9   18   29 o  181.691   17.618   45.833   8.1874   52.560   19.569   44.405   9.0143  166.781   44.480  177.149   19.995 -10.36803 48.76701 
1 1 1    9   18   30 o   62.520   25.660   3.4492   6.6525  -7.5120   16.353   5.6230   7.2823   71.486   33.747   69.404   27.412 2.082970 43.47762 
1 1 1    9   18   31 o   88.463   33.076   12.342   10.205   0.0000   0.0000   12.342   10.205  ?   ?    88.463   33.076 0.000000 33.07632 
1 1 1    9   18   32 o  123.624   39.975   29.930   14.596   0.0000   0.0000   29.930   14.596  ?   ?   123.624   39.975 0.000000 39.97476 
1 1 1    9   18   33 o   56.403   24.683   0.9494   6.8651  -2.6900   15.922   1.7804   7.6086   71.943   33.755   60.145   26.160 11.79742 42.70547 
1 1 1    9   18   34 o   46.135   22.070  -7.0313   7.4684 -26.6600   16.840  -2.2254   8.3327   57.009   28.417   55.084   25.351 1.924793 38.08167 
1 1 1    9   18   35 o   46.210   22.058  -6.3589   7.3768  -9.3830   15.601  -5.4880   8.3719   63.736   30.842   50.533   23.943 13.20349 39.04474 
1 1 1    9   18   36 o   72.774   28.489   8.4419   7.8030   14.360   17.211   6.9109   8.7543   85.576   38.184   70.148   29.173 15.42777 48.05272 
1 1 1    9   18   37 o  100.987   32.421   20.125   9.6144   0.0000   0.0000   20.125   9.6144  ?   ?   100.987   32.421 0.000000 32.42117 
1 1 1    9   18   38 o   53.748   24.720  -0.7996   7.9057   9.6670   16.675  -3.8342   8.9789   76.993   35.586   52.643   24.899 24.35046 43.43217 
1 1 1    9   18   39 o   67.533   28.417   7.2137   8.4541   3.9290   18.206   8.1167   9.5457   71.034   34.106   69.917   29.839 1.116638 45.31680 
1 1 1    9   18   40 o   69.191   28.474   8.7658   8.2189   14.190   17.559   7.2440   9.3007   76.335   35.698   66.641   28.954 9.694092 45.96386 
1 1 1    9   19    0 o  421.094   13.707  231.153   14.951  261.600   28.825  219.946   17.488  443.911   25.172  410.173   16.460 33.73724 30.07551 
1 1 1    9   19    1 o  314.871   13.803  129.259   11.258  111.752   16.624  144.089   15.300  290.434   22.266  331.233   17.899 -40.79910 28.56860 
1 1 1    9   19    2 o  288.680   14.205  108.701   10.622  100.229   15.454  116.288   14.625  275.051   21.871  297.148   19.102 -22.09680 29.03815 
1 1 1    9   19    3 o  136.807   26.235   25.615   8.9586   24.169   12.905   26.961   12.447  131.437   36.568  138.680   34.726 -7.242905 50.42918 
1 1 1    9   19    4 o  191.831   19.277   48.774   9.4492   45.305   14.324   51.448   12.573  181.371   31.639  195.481   25.433 -14.10992 40.59392 
1 1 1    9   19    5 f  260.084   15.223   88.671   10.211   88.483   15.351   88.821   13.676  257.774   23.240  259.040   20.550 -1.265289 31.02239 
1 1 1    9   19    6 o  207.649   18.294   56.998   9.7394   53.939   14.868   59.298   12.890  198.676   29.810  210.310   24.097 -11.63368 38.33103 
1 1 1    9   19    7 o  233.357   19.261   72.065   11.539   61.820   22.285   75.817   13.488  207.589   42.863  238.619   22.071 -31.02988 48.21170 
1 1 1    9   19    8 o  489.363   13.283  312.526   16.838  361.500   31.388  292.737   19.952  522.267   23.201  472.713   16.294 49.55368 28.35150 
1 1 1    9   19    9 o  258.490   23.274   89.350   15.416   95.660   22.441   83.710   21.215  263.202   33.688  245.723   34.263 17.47931 48.05015 
1 1 1    9   19   10 o  232.054   25.589   72.772   15.126   78.890   22.067   67.350   20.773  236.568   37.243  217.777   38.219 18.79060 53.36427 
1 1 1    9   19   11 o  349.826   15.755  160.594   14.276  140.513   16.872  211.200   26.785  325.308   20.122  395.832   26.273 -70.52344 33.09299 
1 1 1    9   19   12 o  184.386   20.285   45.580   9.5281   44.044   14.781   46.672   12.463  176.298   33.595  184.334   26.893 -8.035858 43.03315 
1 1 1    9   19   13 o  258.989   15.603   88.507   10.419   97.410   15.599   81.337   13.999  269.106   22.587  245.903   22.218 23.20247 31.68317 
1 1 1    9   19   14 o   77.256   30.024   5.6971   8.6177   9.2355   13.490   3.2576   11.201   95.602   37.450   79.256   32.983 16.34561 49.90365 
1 1 1    9   19   15 o  279.457   15.308  103.203   11.039  115.819   16.983   93.972   14.527  292.765   22.569  264.108   21.419 28.65692 31.11465 
1 1 1    9   19   16 o  301.741   19.650  122.061   15.275  106.400   23.819  133.000   19.907  272.264   34.552  311.929   24.843 -39.66492 42.55593 
1 1 1    9   19   17 o  267.400   17.308   95.383   11.924   87.788   16.493  103.700   17.260  252.185   25.604  274.961   24.490 -22.77629 35.43018 
1 1 1    9   19   18 o  151.410   22.929   31.727   8.7113   34.696   13.435   29.573   11.443  152.807   34.731  142.173   31.860 10.63382 47.13081 
1 1 1    9   19   19 o   64.219   26.224   2.7490   6.9049  -2.8770   18.920   3.6135   7.4164   87.968   39.582   67.941   27.384 20.02715 48.13141 
1 1 1    9   19   20 o   87.068   28.083   10.586   7.2070   13.060   17.896   10.107   7.8737  105.949   42.597   86.251   29.404 19.69789 51.75994 
1 1 1    9   19   21 o  232.056   14.439   71.686   8.6361   66.170   20.043   72.944   9.5701  206.708   38.859  233.412   15.924 -26.70436 41.99471 
1 1 1    9   19   22 f   54.532   23.909  -0.6715   6.4677   2.5170   15.839  -1.3096   7.0853   86.017   37.572   55.806   24.722 30.21167 44.97584 
1 1 1    9   19   23 o   32.799   16.373 -14.4031   5.6765 -26.3500   14.960 -12.3936   6.1353   57.475   28.312   36.684   18.082 20.79076 33.59354 
1 1 1    9   19   24 o   76.521   27.155   7.8559   6.7509   2.3830   15.998   9.0416   7.4463   84.484   37.301   81.017   28.545 3.467392 46.97005 
1 1 1    9   19   25 o   75.093   27.251   7.4775   6.8402 -37.2600   17.609   15.428   7.4232   57.760   28.834  100.996   27.592 -43.23636 39.90894 
1 1 1    9   19   26 o  156.195   29.122   37.216   11.349   0.0000   0.0000   37.216   11.349  ?   ?   156.195   29.122 0.000000 29.12155 
1 1 1    9   19   27 o  181.838   17.330   45.723   8.0638   30.010   18.532   49.392   8.9561  124.760   44.916  188.148   18.621 -63.38785 48.62283 
1 1 1    9   19   28 o   65.325   26.519   4.1549   7.0090   0.7056   17.153   4.8462   7.6794   80.985   36.932   68.569   27.785 12.41636 46.21707 
1 1 1    9   19   29 o   40.737   19.814  -9.9330   6.6591 -32.4800   16.842  -5.7551   7.2499   56.627   28.257   48.015   22.607 8.611675 36.18734 
1 1 1    9   19   30 o  151.760   27.650   35.992   10.469   0.0000   0.0000   35.992   10.469  ?   ?   151.760   27.650 0.000000 27.64969 
1 1 1    9   19   31 o   61.519   27.459   0.2696   8.9091   0.0000   0.0000   0.2696   8.9091  ?   ?    61.519   27.459 0.000000 27.45898 
1 1 1    9   19   32 o   73.776   27.337   8.1467   6.9396  -5.7530   15.561   11.597   7.7532   68.437   32.488   84.043   29.157 -15.60686 43.65312 
1 1 1    9   19   33 o   64.828   26.757   4.7896   7.2846 -11.3200   15.640   9.2524   8.2320   63.248   30.672   76.689   29.470 -13.44121 42.53526 
1 1 1    9   19   34 o   97.960   29.048   16.890   7.8993   0.9632   17.198   21.148   8.8928   73.714   34.741  108.584   30.408 -34.87056 46.16887 
1 1 1    9   19   35 o  184.225   21.815   52.380   10.208   47.000   19.344   54.457   12.017  130.130   45.990  181.670   26.302 -51.53949 52.98018 
1 1 1    9   19   36 o   55.699   25.326   0.0841   7.9903   20.860   18.458  -4.7073   8.8639   90.101   39.909   51.770   24.560 38.33093 46.86087 
1 1 1    9   19   37 f   59.884   27.303   1.3563   9.3677  -5.4960   18.012   3.8968   10.968   66.145   32.265   65.822   29.828 0.3230515 43.93988 
1 1 1    9   19   38 o   81.294   29.900   13.162   8.2745   30.200   17.584   8.3160   9.3778   97.308   40.966   70.031   29.723 27.27715 50.61341 
1 1 1    9   19   39 o   75.399   29.852   11.645   8.6560  -1.8750   18.103   15.652   9.8556   65.043   31.859   83.025   32.152 -17.98242 45.26247 
1 1 1    9   20    0 o  587.707   11.454  449.866   17.437  459.993   25.291  440.691   24.073  592.511   16.478  580.131   16.020 12.38068 22.98199 
1 1 1    9   20    1 o  277.654   15.595  101.201   11.171   81.341   15.894  120.585   15.702  246.042   25.300  301.842   20.200 -55.79991 32.37468 
1 1 1    9   20    2 o  293.039   17.951  113.186   13.560  111.869   16.527  115.900   23.721  290.007   22.168  291.204   31.973 -1.197693 38.90644 
1 1 1    9   20    3 o  219.926   38.560   68.340   21.166   0.0000   0.0000   68.340   21.166  ?   ?   219.926   38.560 0.000000 38.56013 
1 1 1    9   20    4 o  258.505   19.220   88.468   12.778   97.782   15.613   69.580   22.234  270.798   22.461  220.945   40.336 49.85278 46.16856 
1 1 1    9   20    5 o  166.369   28.126   38.087   11.689   15.234   14.719   77.110   19.233  111.078   40.024  236.424   32.247 -125.3457 51.39871 
1 1 1    9   20    6 o   80.889   32.797   4.4053   10.707  -0.7578   13.167   14.480   18.393   79.295   34.451  114.867   44.072 -35.57272 55.93979 
1 1 1    9   20    7 o  133.699   26.264   24.728   8.7712   36.871   13.625   16.134   11.463  161.433   33.672  109.026   35.439 52.40691 48.88459 
1 1 1    9   20    8 o  408.432   12.349  217.853   13.065  219.783   19.374  216.243   17.694  408.215   18.323  405.480   16.846 2.735352 24.89004 
1 1 1    9   20    9 o  213.267   18.035   60.423   9.8694   47.868   14.435   71.444   13.524  184.945   31.244  230.322   22.976 -45.37637 38.78266 
1 1 1    9   20   10 o  150.975   25.243   31.413   9.5231   25.472   14.252   36.206   12.800  132.369   38.955  159.741   32.050 -27.37180 50.44471 
1 1 1    9   20   11 o   62.898   27.304  -0.5700   8.2561 -11.9581   12.322   8.7075   11.122   62.420   29.414   89.976   34.330 -27.55576 45.20805 
1 1 1    9   20   12 o   96.293   31.695   12.598   9.1579  -3.2706   13.752   25.241   12.275   76.497   34.132  131.483   35.300 -54.98569 49.10322 
1 1 1    9   20   13 o  100.857   33.706   13.953   10.344  -5.1320   20.874   20.165   11.909   91.557   41.351  117.891   35.829 -26.33446 54.71357 
1 1 1    9   20   14 o  105.785   36.591   15.387   12.206   6.8730   19.471   20.900   15.667  101.864   43.009  120.431   41.466 -18.56645 59.74260 
1 1 1    9   20   15 o  148.517   28.477   31.446   10.557   19.773   14.462   44.760   15.445  116.837   39.851  174.036   35.464 -57.19933 53.34622 
1 1 1    9   20   16 o  124.594   28.511   22.396   9.0023   26.977   14.070   19.222   11.714  133.023   38.581  114.213   35.679 18.81025 52.54985 
1 1 1    9   20   17 o  106.263   30.363   16.458   8.7743   24.723   14.298   11.465   11.113  127.013   39.377   94.320   34.656 32.69293 52.45604 
1 1 1    9   20   18 o  125.380   27.664   22.747   8.7434   36.744   14.373   14.525   11.016  155.216   36.382  101.179   34.774 54.03666 50.32821 
1 1 1    9   20   19 o  305.700   15.529  124.688   12.256  142.900   23.953  118.229   14.265  315.600   29.648  295.704   18.720 19.89563 35.06292 
1 1 1    9   20   20 o  121.167   23.979   20.953   7.2597   7.1740   19.042   23.296   7.8528   97.733   41.938  127.617   24.648 -29.88393 48.64511 
1 1 1    9   20   21 f  105.486   26.115   16.301   7.0978   35.120   18.965   13.235   7.6540  142.637   45.507   94.846   28.700 47.79111 53.80184 
1 1 1    9   20   22 o   68.518   27.168   4.6226   7.1791   13.040   18.630   3.1548   7.7799  102.872   42.652   66.738   27.607 36.13364 50.80657 
1 1 1    9   20   23 o  115.984   22.299   19.324   6.4559   13.870   16.775   20.272   6.9947  100.977   41.014  118.170   23.676 -17.19389 47.35740 
1 1 1    9   20   24 o   72.606   26.844   6.8076   6.6844  -7.0990   17.811   9.0873   7.2115   76.812   35.931   80.139   28.102 -3.326286 45.61543 
1 1 1    9   20   25 o   85.230   31.246   10.501   9.0259   0.0000   0.0000   10.501   9.0259  ?   ?    85.230   31.246 0.000000 31.24572 
1 1 1    9   20   26 o   57.689   24.949   0.9020   6.8423 -12.9900   16.497   3.7882   7.5196   67.946   32.582   65.892   27.190 2.054871 42.43647 
1 1 1    9   20   27 o  101.969   27.117   16.233   7.2865  -9.3570   17.130   21.886   8.0512   71.408   33.953  119.038   26.761 -47.63009 43.23196 
1 1 1    9   20   28 o   66.462   25.561   5.4941   6.1963  -8.6240   16.659   7.7610   6.6752   70.438   33.489   73.889   26.904 -3.451584 42.95742 
1 1 1    9   20   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   20   30 f   57.366   26.454  -2.8990   9.1374   0.0000   0.0000  -2.8990   9.1374  ?   ?    57.366   26.454 0.000000 26.45436 
1 1 1    9   20   31 o   68.582   27.145   6.2193   7.1549   3.4640   16.609   6.8471   7.9282   78.011   35.861   71.220   28.451 6.791122 45.77675 
1 1 1    9   20   32 o   59.628   25.668   2.5774   7.1740  -6.2980   16.338   4.6975   7.9850   67.739   32.467   65.721   27.634 2.018227 42.63488 
1 1 1    9   20   33 o   80.108   28.625   11.030   7.5135   3.6140   16.579   12.947   8.4287   74.914   34.918   84.918   30.321 -10.00410 46.24499 
1 1 1    9   20   34 o   55.686   24.883   0.8912   7.3378 -10.2700   15.507   4.1115   8.3294   61.444   29.964   63.598   27.516 -2.154728 40.68121 
1 1 1    9   20   35 o   36.681   18.352 -16.0470   7.3146   12.980   16.839 -22.7976   8.1207   81.011   36.808   35.507   17.963 45.50355 40.95736 
1 1 1    9   20   36 o   60.192   28.047  -0.0633   10.684   0.0000   0.0000  -0.0633   10.684  ?   ?    60.192   28.047 0.000000 28.04721 
1 1 1    9   20   37 o   87.295   29.478   15.156   7.9123  -5.9670   16.519   21.445   9.0135   62.489   30.571  102.515   31.173 -40.02609 43.66126 
1 1 1    9   20   38 o   55.304   25.488   0.7675   8.4632   10.200   18.159  -1.8499   9.5656   72.671   34.667   54.244   25.670 18.42692 43.13581 
1 1 1    9   20   39 o   55.757   25.431   2.2818   8.1373   8.2750   16.751   0.4307   9.3095   68.351   32.791   55.205   25.873 13.14641 41.76856 
1 1 1    9   21    0 o  270.169   15.481   96.072   10.789   95.578   16.298   96.456   14.395  266.585   23.854  268.989   20.822 -2.404633 31.66304 
1 1 1    9   21    1 o  226.687   17.180   67.999   10.013   65.037   14.857   70.464   13.553  218.380   26.829  228.831   23.185 -10.45180 35.45938 
1 1 1    9   21    2 o  286.935   15.143  108.282   11.215  114.438   16.795  103.329   15.065  292.430   22.342  278.305   21.054 14.12531 30.69902 
1 1 1    9   21    3 o   84.264   31.478   7.7778   9.2386  -4.3623   13.668   17.990   12.536   75.561   33.848  114.146   37.059 -38.58567 50.19027 
1 1 1    9   21    4 o  248.297   16.560   81.468   10.590   95.638   16.037   70.512   14.102  266.557   23.466  228.307   24.215 38.25011 33.71925 
1 1 1    9   21    5 o  153.873   23.844   32.377   9.1961   34.244   14.131   31.006   12.111  153.897   36.077  147.514   32.568 6.383682 48.60222 
1 1 1    9   21    6 o  158.324   23.502   34.235   9.3456   33.884   14.785   34.468   12.060  152.286   37.686  156.169   30.908 -3.883270 48.73958 
1 1 1    9   21    7 o  251.288   16.427   83.573   10.633   72.559   15.992   92.302   14.237  229.687   27.421  262.350   21.129 -32.66335 34.61682 
1 1 1    9   21    8 o  239.547   16.946   76.154   10.447   61.090   16.043   87.246   13.766  208.755   30.574  254.872   21.039 -46.11778 37.11374 
1 1 1    9   21    9 o  115.665   32.310   19.240   10.053   36.870   18.243   11.552   12.047  155.475   43.558   97.476   36.038 57.99891 56.53388 
1 1 1    9   21   10 o  103.752   36.903   14.232   12.474   17.850   19.530   11.740   16.211  118.629   45.438  104.114   40.970 14.51521 61.18121 
1 1 1    9   21   11 o  126.398   35.022   23.542   11.862   6.5110   18.151   36.240   15.672   99.047   41.656  154.988   39.053 -55.94064 57.09961 
1 1 1    9   21   12 o  222.177   20.727   66.842   11.790   70.378   15.329   61.720   18.450  224.826   26.853  204.838   36.092 19.98830 44.98537 
1 1 1    9   21   13 o  343.767   13.939  155.823   12.412  164.949   18.968  148.989   16.415  349.174   21.071  333.065   19.106 16.10855 28.44333 
1 1 1    9   21   14 o  232.069   17.765   72.297   10.598   74.593   16.876   70.801   13.619  229.282   29.067  226.691   23.536 2.591644 37.40086 
1 1 1    9   21   15 o   54.366   25.407  -7.2586   8.8689  -6.4121   14.077  -7.8157   11.421   72.277   33.147   62.745   29.157 9.531212 44.14619 
1 1 1    9   21   16 o   95.351   30.957   12.975   8.7477   22.649   13.512   5.9945   11.478  121.450   38.376   83.076   33.855 38.37399 51.17526 
1 1 1    9   21   17 o  280.487   14.934  104.824   10.811  100.944   16.808  107.562   14.120  269.102   24.378  281.411   19.491 -12.30923 31.21147 
1 1 1    9   21   18 o  171.523   21.242   40.751   9.2358   59.579   15.218   29.772   11.621  201.948   30.003  140.250   32.605 61.69759 44.30911 
1 1 1    9   21   19 o  114.177   27.192   19.204   7.9270   27.719   11.331   11.042   11.094  134.511   32.813   91.480   34.431 43.03160 47.56248 
1 1 1    9   21   20 o   63.919   26.275   2.9449   6.9885 -11.4700   18.170   5.4476   7.5709   75.574   35.645   71.615   28.055 3.958527 45.36113 
1 1 1    9   21   21 o  168.843   18.228   39.249   7.8458   31.380   20.306   40.629   8.5064  131.166   47.038  171.079   19.546 -39.91360 50.93793 
1 1 1    9   21   22 o  108.193   26.757   17.636   7.4567   8.2500   18.516   19.453   8.1465   94.137   40.877  113.074   27.969 -18.93680 49.52972 
1 1 1    9   21   23 o   64.787   26.793   3.3222   7.3248   0.0000   0.0000   3.3222   7.3248  ?   ?    64.787   26.793 0.000000 26.79278 
1 1 1    9   21   24 o   56.377   26.109  -4.5886   9.0412   0.0000   0.0000  -4.5886   9.0412  ?   ?    56.377   26.109 0.000000 26.10888 
1 1 1    9   21   25 o  144.156   20.452   29.803   7.4229   19.490   17.339   32.117   8.2136  104.972   42.026  148.648   21.996 -43.67571 47.43406 
1 1 1    9   21   26 o  150.024   20.342   32.382   7.7013   32.650   18.055   32.323   8.5148  125.960   44.440  147.959   22.961 -21.99885 50.02156 
1 1 1    9   21   27 o   60.387   25.616   2.3965   6.9589   0.2272   16.817   2.8447   7.6440   77.959   35.929   63.204   26.831 14.75471 44.84189 
1 1 1    9   21   28 o   72.763   32.963   1.3900   13.382   0.0000   0.0000   1.3900   13.382  ?   ?    72.763   32.963 0.000000 32.96319 
1 1 1    9   21   29 o   36.755   18.349 -16.3548   7.1339   0.0000   0.0000 -16.3548   7.1339  ?   ?    36.755   18.349 0.000000 18.34896 
1 1 1    9   21   30 o   83.720   28.129   11.637   7.2045 -33.6800   17.035   21.508   7.9505   54.403   27.329  114.422   27.220 -60.01884 38.57254 
1 1 1    9   21   31 o   65.963   27.052   5.4288   7.3866  -5.4550   16.927   7.9889   8.2095   68.750   32.977   72.934   29.010 -4.183792 43.92111 
1 1 1    9   21   32 o   57.879   25.419   1.9267   7.3372  -4.6120   17.110   3.4000   8.1219   68.286   32.858   62.338   27.071 5.948700 42.57320 
1 1 1    9   21   33 o   56.013   24.933   1.2961   7.2915  -5.6370   17.210   2.8130   8.0498   66.445   32.211   60.395   26.572 6.049839 41.75650 
1 1 1    9   21   34 o  131.265   24.954   28.795   8.1745   24.400   18.106   29.920   9.1614   92.464   40.285  129.948   28.040 -37.48378 49.08260 
1 1 1    9   21   35 o   60.290   26.935   2.9778   8.5936   0.0000   0.0000   2.9778   8.5936  ?   ?    60.290   26.935 0.000000 26.93519 
1 1 1    9   21   36 o   58.869   26.075   3.3190   7.8786   17.790   17.559  -0.3286   8.8158   81.022   37.108   55.192   25.637 25.83016 45.10260 
1 1 1    9   21   37 o   47.440   22.719  -4.5305   7.9630   15.730   17.725  -9.6534   8.9131   76.482   35.798   45.204   22.185 31.27826 42.11526 
1 1 1    9   21   38 f   43.081   21.081  -8.0139   7.8695   0.2728   16.145 -10.5961   9.0126   62.217   30.392   44.043   21.748 18.17422 37.37197 
1 1 1    9   22    0 o  158.711   31.395   35.890   12.450   38.270   18.973   34.090   16.498  158.366   44.439  150.761   41.113 7.604904 60.54000 
1 1 1    9   22    1 o  219.541   25.626   66.079   14.299   46.080   20.930   83.580   19.580  172.889   45.950  243.862   31.750 -70.97284 55.85224 
1 1 1    9   22    2 o  183.257   28.390   46.884   13.041   51.500   20.489   43.740   16.908  184.108   43.630  171.835   38.892 12.27385 58.44846 
1 1 1    9   22    3 o   96.484   36.357   10.840   12.377   18.070   18.065   4.4440   16.992  117.973   44.028   94.684   40.088 23.28864 59.54398 
1 1 1    9   22    4 o  262.697   21.163   92.903   14.279   80.420   22.437  101.400   18.511  234.622   38.235  271.586   26.657 -36.96411 46.61037 
1 1 1    9   22    5 o   87.126   33.985   7.6698   11.074   17.010   17.262   1.1380   14.435  114.803   43.000   83.962   36.275 30.84124 56.25739 
1 1 1    9   22    6 o  158.077   32.383   36.093   12.814   50.450   20.266   26.530   16.540  180.929   43.729  132.921   42.508 48.00716 60.98473 
1 1 1    9   22    7 o  287.694   17.001  110.125   12.613  118.536   16.951   99.690   18.880  295.746   22.291  267.939   27.598 27.80609 35.47562 
1 1 1    9   22    8 o   86.235   33.174   8.0906   10.438  -7.0621   13.823   28.200   15.924   71.548   32.825  135.902   41.458 -64.35358 52.87952 
1 1 1    9   22    9 o  197.094   19.581   52.515   9.8647   50.871   15.404   53.658   12.844  187.150   32.981  196.282   25.894 -9.132782 41.93140 
1 1 1    9   22   10 o  257.320   16.129   88.203   10.696   85.438   15.997   90.439   14.386  248.372   25.214  257.701   21.754 -9.329041 33.30126 
1 1 1    9   22   11 o  152.002   23.772   32.228   9.0530   21.619   13.429   41.065   12.257  119.832   38.301  169.275   28.996 -49.44341 48.03905 
1 1 1    9   22   12 o  131.377   26.552   24.706   8.7249   32.061   12.932   18.561   11.821  145.880   34.723  111.843   35.954 34.03702 49.98392 
1 1 1    9   22   13 o  202.854   18.899   55.799   9.8164   50.231   14.722   60.256   13.172  185.102   31.854  207.514   25.009 -22.41287 40.49831 
1 1 1    9   22   14 o  265.955   15.552   94.455   10.667  113.828   17.382   82.751   13.510  286.595   23.625  245.551   21.456 41.04414 31.91400 
1 1 1    9   22   15 o   63.663   27.717   0.0154   8.5578   16.896   14.694  -8.6485   10.527  108.120   39.833   58.382   27.410 49.73759 48.35230 
1 1 1    9   22   16 o   82.262   30.202   8.6894   8.4373  -3.3466   13.614   16.195   10.751   73.468   33.268  104.037   34.346 -30.56925 47.81635 
1 1 1    9   22   17 o   70.632   28.501   4.4441   8.0432   3.9974   12.050   4.8030   10.802   79.518   33.718   78.113   32.439 1.404877 46.78865 
1 1 1    9   22   18 o  148.140   23.074   31.200   8.5656   26.769   13.451   34.222   11.109  128.244   37.874  151.354   29.396 -23.10927 47.94350 
1 1 1    9   22   19 o   91.180   30.097   12.331   8.2556   15.184   12.770   10.282   10.821  100.523   37.115   88.180   33.811 12.34297 50.20704 
1 1 1    9   22   20 o   70.862   29.470   3.9945   8.9331  -1.9530   16.806   6.3365   10.546   79.947   36.497   78.981   32.349 0.9657364 48.77011 
1 1 1    9   22   21 o  161.277   18.310   36.181   7.5136   64.780   19.561   31.231   8.1379  194.518   40.153  147.548   21.962 46.96976 45.76679 
1 1 1    9   22   22 o   84.058   30.012   10.439   8.2579   0.0000   0.0000   10.439   8.2579  ?   ?    84.058   30.012 0.000000 30.01210 
1 1 1    9   22   23 o   63.300   27.016   2.2940   7.8252 -16.5500   19.188   6.0532   8.5702   70.440   34.115   72.990   29.431 -2.550476 45.05557 
1 1 1    9   22   24 o   83.889   28.298   10.873   7.2919   38.940   17.345   4.8470   8.0366  140.106   43.359   68.795   28.215 71.31103 51.73135 
1 1 1    9   22   25 o   62.507   25.900   3.4515   6.8640  -5.6850   16.370   5.4005   7.5607   71.841   33.869   68.688   27.662 3.152382 43.72963 
1 1 1    9   22   26 o   93.189   27.884   14.044   7.2547   27.950   18.088   11.379   7.9195  114.104   43.723   84.426   29.458 29.67792 52.72066 
1 1 1    9   22   27 f   66.074   30.698  -2.7490   12.649   0.0000   0.0000  -2.7490   12.649  ?   ?    66.074   30.698 0.000000 30.69784 
1 1 1    9   22   28 o   97.737   28.820   16.137   7.7938   0.0000   0.0000   16.137   7.7938  ?   ?    97.737   28.820 0.000000 28.81977 
1 1 1    9   22   29 o   89.785   27.823   13.647   7.1391 -31.6600   17.131   23.168   7.8536   55.053   27.621  119.456   26.110 -64.40298 38.00867 
1 1 1    9   22   30 o   59.927   25.658   3.0940   7.0984  -3.9460   16.747   4.6359   7.8373   68.949   33.000   64.606   27.282 4.342728 42.81763 
1 1 1    9   22   31 o   87.219   28.599   13.687   7.4588   28.460   16.565   9.9303   8.3536  104.271   41.292   76.066   29.560 28.20509 50.78255 
1 1 1    9   22   32 o   39.449   19.312  -9.3784   6.6258   4.7460   15.924 -12.3356   7.2865   72.408   33.904   39.292   19.431 33.11640 39.07762 
1 1 1    9   22   33 o   48.480   22.579  -2.2712   6.9098  -4.4780   17.051  -1.8376   7.5582   65.177   31.703   50.988   23.703 14.18860 39.58415 
1 1 1    9   22   34 o   63.062   26.742   5.5602   7.5801   0.0000   0.0000   5.5602   7.5801  ?   ?    63.062   26.742 0.000000 26.74154 
1 1 1    9   22   35 o   55.602   25.838   0.0392   8.9699 -11.5200   17.762   3.9962   10.392   59.863   29.731   62.885   28.705 -3.022324 41.32701 
1 1 1    9   22   36 o   52.618   24.342   0.1446   7.8281   12.930   18.820  -2.5304   8.6082   73.211   35.025   50.963   24.184 22.24809 42.56326 
1 1 1    9   22   37 o   46.300   22.340  -4.8703   8.0376 -27.9600   17.688   1.1378   9.0229   50.869   25.819   55.060   25.696 -4.190521 36.42624 
1 1 1    9   23    0 o  121.210   29.972   21.306   9.3576   15.365   14.479   25.567   12.263  107.481   39.549  130.966   35.332 -23.48535 53.03299 
1 1 1    9   23    1 o  174.445   23.698   42.035   10.431   62.192   16.208   27.784   13.628  208.651   30.925  135.666   37.520 72.98538 48.62239 
1 1 1    9   23    2 o  149.508   26.237   31.493   9.7903   21.671   14.879   38.992   13.001  120.952   40.425  163.965   31.758 -43.01331 51.40811 
1 1 1    9   23    3 o  232.155   18.490   72.420   11.027   61.555   16.147   81.916   15.095  207.306   31.023  243.962   24.206 -36.65538 39.34985 
1 1 1    9   23    4 f  109.432   31.946   17.465   9.6190   8.8278   15.347   23.053   12.345   96.480   39.214  124.037   36.184 -27.55670 53.35725 
1 1 1    9   23    5 o  185.173   21.575   46.938   10.155   55.992   15.960   40.780   13.162  196.294   32.529  167.532   31.486 28.76149 45.27157 
1 1 1    9   23    6 o  143.079   25.950   28.990   9.2633   18.643   14.594   35.970   11.988  113.534   39.966  157.443   30.496 -43.90934 50.27210 
1 1 1    9   23    7 o  114.266   31.232   19.240   9.5084   19.928   15.100   18.787   12.240  116.219   40.669  112.620   36.621 3.598694 54.72743 
1 1 1    9   23    8 o  120.006   30.389   21.212   9.4562   45.109   15.486   7.0034   11.941  172.961   35.746   86.134   34.737 86.82750 49.84419 
1 1 1    9   23    9 o  119.383   30.533   21.076   9.4794   19.462   14.451   22.294   12.559  114.307   39.797  120.825   36.809 -6.518356 54.21020 
1 1 1    9   23   10 f  173.927   20.850   41.608   9.2060   53.465   14.342   33.300   12.006  192.119   29.784  149.666   31.941 42.45291 43.67266 
1 1 1    9   23   11 o  116.809   29.204   20.144   8.8127   8.1789   14.095   27.825   11.292   91.573   37.440  135.959   32.504 -44.38548 49.58091 
1 1 1    9   23   12 o   98.665   31.252   14.284   8.9563  -3.4887   13.862   27.020   11.735   74.186   33.583  132.854   33.967 -58.66803 47.76635 
1 1 1    9   23   13 o  143.904   24.864   29.587   8.9328   15.405   14.250   38.767   11.465  104.201   39.061  163.193   28.139 -58.99213 48.14114 
1 1 1    9   23   14 o   64.549   27.750   1.0489   8.3647   11.219   13.358  -5.5110   10.728   94.679   37.212   62.312   28.710 32.36727 46.99990 
1 1 1    9   23   15 o   81.985   29.827   8.9230   8.2020   9.9705   13.335   8.2856   10.402   91.833   36.824   83.952   32.886 7.881256 49.37049 
1 1 1    9   23   16 o   64.978   27.656   1.8347   8.1590   8.5823   13.149  -2.3900   10.404   88.541   36.176   64.898   29.263 23.64292 46.52988 
1 1 1    9   23   17 o   59.381   26.431  -1.1689   8.1932   3.0237   13.098  -3.8643   10.502   79.017   34.346   62.900   28.767 16.11718 44.80157 
1 1 1    9   23   18 o  219.106   16.640   65.546   9.3737   87.795   14.590   49.907   12.232  248.254   22.948  184.070   26.412 64.18333 34.98888 
1 1 1    9   23   19 o  156.274   21.819   34.977   8.5915   32.047   12.750   37.414   11.628  139.100   35.320  155.563   29.944 -16.46388 46.30486 
1 1 1    9   23   20 o   97.462   30.388   15.068   8.5018   10.760   12.909   18.368   11.298   89.016   36.041  104.843   35.225 -15.82677 50.39585 
1 1 1    9   23   21 f   42.447   20.954 -15.6850   8.3459   0.0000   0.0000 -15.6850   8.3459  ?   ?    42.447   20.954 0.000000 20.95422 
1 1 1    9   23   22 o  122.103   25.311   22.779   7.7425   18.450   18.723   23.672   8.5036  102.060   42.573  122.951   27.401 -20.89077 50.62863 
1 1 1    9   23   23 o   94.543   28.106   14.372   7.3885  -8.5780   17.107   19.635   8.1919   70.704   33.706  110.335   28.472 -39.63064 44.12193 
1 1 1    9   23   24 o   58.020   25.235   1.2307   7.0792  -0.0582   16.039   1.5426   7.8893   75.653   34.944   60.956   26.574 14.69633 43.90018 
1 1 1    9   23   25 o  104.704   35.009   20.118   11.159   0.9194   18.664   30.800   13.922   79.281   36.985  125.328   38.856 -46.04761 53.64385 
1 1 1    9   23   26 f   63.596   27.962   2.0702   8.9022   0.0000   0.0000   2.0702   8.9022  ?   ?    63.596   27.962 0.000000 27.96224 
1 1 1    9   23   27 o  147.770   23.366   33.672   8.6462   0.0000   0.0000   33.672   8.6462  ?   ?   147.770   23.366 0.000000 23.36558 
1 1 1    9   23   28 o  106.391   26.720   18.918   7.3534   6.8860   17.557   21.478   8.0979   79.590   36.691  112.400   27.935 -32.81044 46.11543 
1 1 1    9   23   29 o   60.396   25.695   3.5835   7.0379   4.7360   16.957   3.3436   7.7356   75.393   35.199   61.357   26.532 14.03568 44.07838 
1 1 1    9   23   30 o   65.350   26.890   5.9447   7.3289  -9.7360   17.164   9.4410   8.1048   63.594   31.122   74.156   29.033 -10.56129 42.56199 
1 1 1    9   23   31 o   57.114   25.018   2.5753   7.0678   42.230   18.061  -4.5959   7.6803  118.376   44.053   47.959   22.784 70.41719 49.59628 
1 1 1    9   23   32 o   45.991   21.963  -4.9942   7.3294  -7.4330   17.413  -4.4692   8.0800   62.997   30.936   48.809   23.239 14.18787 38.69223 
1 1 1    9   23   33 o   79.064   30.172   12.872   8.5919   0.0000   0.0000   12.872   8.5919  ?   ?    79.064   30.172 0.000000 30.17242 
1 1 1    9   23   34 o   93.261   30.365   18.403   8.4137   18.570   18.486   18.359   9.4492   78.875   36.800   89.773   32.099 -10.89739 48.83194 
1 1 1    9   23   35 o   57.788   25.317   4.2194   7.2396  -1.1210   18.112   5.2349   7.8980   63.287   31.171   60.413   26.456 2.873966 40.88408 
1 1 1    9   23   36 o   42.965   20.981  -7.0738   7.6779 -29.0500   18.241  -2.3418   8.4643   50.753   25.806   49.610   23.666 1.143333 35.01449 
1 1 1    9   24    0 o  481.965   12.361  305.998   15.432  287.363   22.687  322.047   21.053  461.830   18.964  491.181   16.547 -29.35153 25.16866 
1 1 1    9   24    1 o  356.655   13.799  168.269   12.748  188.259   19.531  153.430   16.827  372.236   20.333  336.676   19.377 35.56018 28.08709 
1 1 1    9   24    2 o  161.742   25.828   37.117   10.457   41.379   15.695   33.715   14.022  163.459   37.819  147.825   36.772 15.63463 52.74895 
1 1 1    9   24    3 o  171.839   23.883   41.342   10.343   25.314   15.871   53.176   13.637  126.627   41.727  192.617   28.164 -65.98959 50.34268 
1 1 1    9   24    4 o  254.815   16.918   87.227   11.103   82.647   17.182   90.511   14.549  240.662   28.091  256.388   22.124 -15.72626 35.75719 
1 1 1    9   24    5 o  264.714   16.356   93.941   11.160  102.954   17.434   87.684   14.527  271.134   25.109  251.957   22.495 19.17670 33.71154 
1 1 1    9   24    6 o   90.877   31.798   11.401   9.2307   4.4302   14.498   16.154   11.971   86.319   36.805  104.924   36.239 -18.60527 51.65116 
1 1 1    9   24    7 f   70.721   29.406   3.2012   8.8920  -1.4552   13.849   6.4671   11.598   76.657   34.225   83.574   34.042 -6.916428 48.27213 
1 1 1    9   24    8 o  101.287   31.308   15.221   9.0461   7.8559   13.844   20.710   11.950   90.071   36.997  115.782   36.017 -25.71058 51.63329 
1 1 1    9   24    9 o  165.298   22.581   38.285   9.4158   37.220   14.725   39.021   12.246  153.509   37.381  162.327   30.238 -8.818604 48.07993 
1 1 1    9   24   10 o  122.436   28.434   22.246   8.8451   18.497   13.973   24.753   11.426  109.939   39.063  126.277   34.121 -16.33818 51.86650 
1 1 1    9   24   11 o  138.654   25.918   27.901   8.9664   27.459   14.189   28.195   11.569  129.800   39.032  135.012   33.291 -5.211929 51.30083 
1 1 1    9   24   12 o   85.583   30.587   10.110   8.5791   19.785   13.020   2.6863   11.405  111.763   37.813   75.482   32.426 36.28101 49.81192 
1 1 1    9   24   13 o  209.068   17.523   59.656   9.4020   70.349   14.568   52.022   12.309  220.762   25.971  189.746   25.705 31.01613 36.54137 
1 1 1    9   24   14 o  145.538   24.783   30.769   9.0082   24.324   14.117   35.196   11.700  120.458   39.337  151.633   30.838 -31.17498 49.98354 
1 1 1    9   24   15 f  101.148   29.625   15.758   8.2599   29.731   13.796   7.9502   10.313  132.790   38.113   81.812   32.523 50.97787 50.10318 
1 1 1    9   24   16 o  118.085   27.939   21.327   8.4125   25.139   12.983   18.568   11.045  121.655   37.491  106.794   34.790 14.86118 51.14631 
1 1 1    9   24   17 o  152.634   23.288   33.924   8.9156   25.088   13.796   40.260   11.683  119.444   38.882  161.985   28.904 -42.54119 48.44793 
1 1 1    9   24   18 o  232.991   17.539   75.257   10.508   70.790   18.617   77.345   12.729  205.839   36.241  232.605   21.365 -26.76627 42.06936 
1 1 1    9   24   19 o   64.912   29.766  -2.6791   11.347  -3.1670   14.983  -2.0230   17.375   72.492   33.586   77.892   36.116 -5.399971 49.31878 
1 1 1    9   24   20 o  141.754   29.201   32.039   10.365   24.232   12.535   48.920   18.433  115.577   37.010  157.247   43.688 -41.67011 57.25731 
1 1 1    9   24   21 o  122.625   29.528   24.547   9.2670   9.8510   18.952   29.165   10.624   89.848   40.081  132.147   31.484 -42.29942 50.96763 
1 1 1    9   24   22 o   52.976   24.025  -1.6082   7.1304   13.030   18.000  -4.3329   7.7658   91.758   40.066   51.172   23.867 40.58514 46.63641 
1 1 1    9   24   23 o   85.425   31.465   12.055   9.1687   16.960   18.024   10.343   10.650   95.565   40.900   82.155   32.920 13.41024 52.50219 
1 1 1    9   24   24 o   71.385   31.114   4.6130   10.811  -8.2130   17.263   12.890   13.868   69.026   33.161   87.535   36.587 -18.50835 49.37857 
1 1 1    9   24   25 o  174.404   19.094   44.384   8.4850   0.0000   0.0000   44.384   8.4850  ?   ?   174.404   19.094 0.000000 19.09402 
1 1 1    9   24   26 o   50.232   23.531  -3.9650   7.6852   0.0000   0.0000  -3.9650   7.6852  ?   ?    50.232   23.531 0.000000 23.53097 
1 1 1    9   24   27 o   72.328   27.688   8.3547   7.2492 -19.2100   17.060   14.429   8.0082   59.497   29.478   89.296   29.651 -29.79925 41.81007 
1 1 1    9   24   28 o  122.877   23.624   24.388   7.2462   14.720   17.135   26.494   7.9964   83.980   37.739  126.345   25.316 -42.36559 45.44361 
1 1 1    9   24   29 o  148.979   21.693   35.035   8.1257   21.270   18.079   38.520   9.0963   88.692   39.381  153.924   23.564 -65.23167 45.89277 
1 1 1    9   24   30 o   63.350   26.513   5.7018   7.2955  -3.4900   16.818   7.8324   8.0970   64.944   31.566   68.664   28.260 -3.719376 42.36770 
1 1 1    9   24   31 o  111.539   27.713   23.059   7.9715   18.130   18.213   24.227   8.8657   80.917   37.326  110.829   30.103 -29.91191 47.95259 
1 1 1    9   24   32 o   54.769   25.285   0.5141   8.3818   0.0000   0.0000   0.5141   8.3818  ?   ?    54.769   25.285 0.000000 25.28461 
1 1 1    9   24   33 o   85.175   31.832   17.034   9.4494   9.9580   18.954   19.374   10.901   70.841   34.211   86.956   33.774 -16.11558 48.07412 
1 1 1    9   24   34 o   76.608   29.073   12.974   7.9492   35.500   19.011   8.2009   8.7509   89.650   40.057   65.528   28.277 24.12238 49.03206 
1 1 1    9   24   35 o   79.944   29.575   15.107   8.1162   34.760   19.143   10.800   8.9615   84.574   38.738   68.691   29.100 15.88324 48.45024 
1 1 1    9   25    0 o  142.020   27.714   29.548   9.8294   24.692   15.123   33.100   12.934  123.402   40.736  146.037   34.703 -22.63496 53.51347 
1 1 1    9   25    1 o  141.378   27.818   29.316   9.8243   31.687   14.389   27.245   13.446  140.279   38.454  130.539   37.673 9.739655 53.83266 
1 1 1    9   25    2 o  128.437   30.245   24.801   9.8959   28.417   14.378   21.546   13.641  132.367   39.175  116.658   38.697 15.70937 55.06435 
1 1 1    9   25    3 o   64.630   28.308  -0.1225   9.0469   0.7449   13.514  -0.8268   12.178   78.063   34.384   72.612   32.277 5.451675 47.16057 
1 1 1    9   25    4 o  174.342   22.400   42.636   9.8819   31.056   14.677   52.240   13.365  138.025   39.211  189.343   28.104 -51.31764 48.24191 
1 1 1    9   25    5 o  205.169   19.453   57.854   10.215   50.670   14.966   64.119   13.976  182.709   32.830  211.460   26.067 -28.75113 41.91971 
1 1 1    9   25    6 o  218.581   18.543   65.336   10.400   62.407   14.910   68.111   14.513  206.366   28.668  217.650   26.274 -11.28433 38.88647 
1 1 1    9   25    7 o  136.850   27.368   27.625   9.3625   40.113   14.660   19.024   12.167  158.812   36.414  110.027   36.548 48.78434 51.59196 
1 1 1    9   25    8 o  119.063   30.038   21.597   9.2634   24.357   14.707   19.782   11.926  121.224   40.179  111.663   36.137 9.561058 54.03884 
1 1 1    9   25    9 o  150.267   25.495   32.840   9.5689   19.709   14.776   42.324   12.558  110.831   40.077  167.710   30.009 -56.87859 50.06724 
1 1 1    9   25   10 o   95.273   31.223   13.733   8.8907   8.5342   13.892   17.339   11.571   89.019   36.863  104.920   35.646 -15.90117 51.27842 
1 1 1    9   25   11 o  157.069   23.074   35.365   9.1080   36.782   14.279   34.393   11.826  149.450   37.066  148.844   31.648 0.6062622 48.73859 
1 1 1    9   25   12 o   80.511   29.994   8.7284   8.3764  -9.5236   13.408   20.412   10.727   64.563   30.503  112.393   33.970 -47.82934 45.65529 
1 1 1    9   25   13 o  196.703   19.189   53.974   9.6526   44.574   14.604   61.267   12.863  165.485   35.155  205.071   24.712 -39.58597 42.97165 
1 1 1    9   25   14 o  103.324   30.032   16.873   8.5174   16.287   13.016   17.312   11.264  100.296   37.384  102.684   35.169 -2.387482 51.32618 
1 1 1    9   25   15 o   49.017   23.316  -7.7886   8.0937 -17.5446   12.946  -1.5283   10.370   55.879   27.278   64.322   29.089 -8.442989 39.87823 
1 1 1    9   25   16 o  156.220   26.177   37.013   10.218   47.520   20.170   33.385   11.851  151.929   46.714  142.277   32.825 9.651840 57.09357 
1 1 1    9   25   17 o  112.627   35.864   22.479   11.783   40.480   17.280   6.8370   16.109  143.053   43.088   84.889   37.458 58.16395 57.09297 
1 1 1    9   25   18 o  103.256   34.060   18.605   10.574   29.175   13.363   0.9055   17.292  125.277   37.925   79.121   36.453 46.15643 52.60339 
1 1 1    9   25   19 o  238.575   15.117   78.495   9.2937   79.084   13.674   77.990   12.670  230.282   23.242  230.928   21.425 -0.6458282 31.61027 
1 1 1    9   25   20 o  137.748   23.919   28.989   8.2251   36.908   13.052   23.772   10.593  143.130   35.400  115.553   33.465 27.57666 48.71436 
1 1 1    9   25   21 o  114.549   30.080   22.305   9.0396   43.000   18.959   16.216   10.284  135.970   45.631   95.032   33.538 40.93861 56.63068 
1 1 1    9   25   22 o  206.770   24.708   66.325   12.971   62.890   19.998   68.820   17.042  169.917   44.799  196.052   34.835 -26.13522 56.74866 
1 1 1    9   25   23 o   45.390   21.650  -6.3236   7.0770   11.230   16.341 -10.3761   7.8515   84.767   37.549   43.960   21.412 40.80755 43.22475 
1 1 1    9   25   24 o   60.836   26.550   2.5000   7.8938   0.0000   0.0000   2.5000   7.8938  ?   ?    60.836   26.550 0.000000 26.54967 
1 1 1    9   25   25 o   56.163   25.257   0.3995   7.6915   0.0000   0.0000   0.3995   7.6915  ?   ?    56.163   25.257 0.000000 25.25734 
1 1 1    9   25   26 o   54.842   24.510   0.8285   7.1226 -16.6800   16.486   4.8465   7.8977   58.993   29.183   64.061   27.236 -5.068291 39.91805 
1 1 1    9   25   27 o   79.724   28.529   11.703   7.4657 -34.6800   17.435   22.116   8.2613   52.028   26.321  110.095   28.682 -58.06718 38.92886 
1 1 1    9   25   28 f   76.432   28.125   10.880   7.3226   8.6930   17.659   11.334   8.0471   74.590   35.169   77.063   29.250 -2.472870 45.74254 
1 1 1    9   25   29 o   47.176   22.231  -3.0356   7.0382   21.260   17.593  -7.6651   7.6796   84.455   38.069   43.945   21.353 40.50922 43.64842 
1 1 1    9   25   30 o   50.077   23.352  -1.3351   7.4290  -9.7490   17.383   0.5451   8.2172   59.807   29.654   54.465   25.106 5.342014 38.85415 
1 1 1    9   25   31 o   51.311   24.247  -1.9101   8.4813   0.0000   0.0000  -1.9101   8.4813  ?   ?    51.311   24.247 0.000000 24.24749 
1 1 1    9   25   32 o   74.829   30.629   13.027   9.4471 -10.6600   18.443   21.454   11.000   58.396   29.205   89.402   34.134 -31.00595 44.92308 
1 1 1    9   25   33 o   63.286   26.942   7.5667   7.7464   14.790   17.625   5.8373   8.6240   70.563   33.794   60.526   27.016 10.03658 43.26571 
1 1 1    9   25   34 o   60.826   26.254   7.0010   7.5465   1.5150   17.949   8.1789   8.3173   60.529   30.032   63.056   27.389 -2.527634 40.64569 
1 1 1    9   25   35 o   73.930   33.195   20.397   13.226   9.3350   19.913   29.130   17.693   62.244   31.006   75.588   35.503 -13.34401 47.13634 
1 1 1    9   26    0 o  241.679   17.672   79.857   10.987   73.465   16.039   85.507   15.080  222.838   28.435  244.760   24.098 -21.92220 37.27257 
1 1 1    9   26    1 o   82.178   31.645   8.5076   9.5056   43.554   14.070 -20.9187   12.893  166.710   33.741   54.480   26.726 112.2305 43.04329 
1 1 1    9   26    2 o  137.959   27.722   28.441   9.5629   15.275   13.736   40.825   13.321  100.970   38.241  161.908   32.886 -60.93855 50.43673 
1 1 1    9   26    3 o   91.131   31.712   12.256   9.1753   0.4214   13.474   22.488   12.529   76.198   33.908  117.072   36.950 -40.87394 50.15014 
1 1 1    9   26    4 o  166.885   23.106   39.829   9.7203   41.763   14.448   38.230   13.138  161.196   35.557  155.717   33.562 5.479233 48.89434 
1 1 1    9   26    5 o  173.004   22.570   42.647   9.8735   31.336   14.185   53.278   13.752  136.306   38.487  188.336   29.129 -52.03038 48.26704 
1 1 1    9   26    6 o  159.771   23.510   36.786   9.4390   32.988   13.694   40.223   13.028  140.902   37.033  160.273   32.494 -19.37178 49.26809 
1 1 1    9   26    7 f  120.958   28.680   22.433   8.8494   20.227   13.122   24.274   11.985  110.303   37.951  121.183   35.740 -10.88017 52.13032 
1 1 1    9   26    8 o  148.085   25.044   32.261   9.2641   22.964   14.233   39.094   12.203  115.437   39.534  158.758   30.785 -43.32101 50.10573 
1 1 1    9   26    9 o   77.122   30.281   7.2552   8.8374   16.345   13.616   0.6385   11.617  101.062   38.122   71.168   31.585 29.89363 49.50678 
1 1 1    9   26   10 o   95.069   31.257   14.217   8.9076   9.7784   13.607   17.546   11.784   88.500   36.551  103.079   35.935 -14.57867 51.25722 
1 1 1    9   26   11 o   59.401   26.555  -0.9322   8.3676   1.3995   13.530  -2.3766   10.648   75.652   33.798   64.036   29.163 11.61561 44.64028 
1 1 1    9   26   12 o   59.895   26.608  -0.2867   8.2628   7.1621   13.592  -4.6532   10.407   83.234   35.567   60.212   27.930 23.02195 45.22236 
1 1 1    9   26   13 o   65.146   28.512   1.4859   9.1619  -8.0940   16.244   5.9554   11.095   70.384   33.349   76.910   32.469 -6.526237 46.54414 
1 1 1    9   26   14 o   65.336   29.502  -0.5915   10.619   16.220   18.116  -9.3910   13.107   98.330   41.499   61.928   29.517 36.40249 50.92552 
1 1 1    9   26   15 o  139.750   32.694   33.010   11.625   37.371   14.773   25.920   18.837  141.140   39.076  111.116   44.024 30.02364 58.86500 
1 1 1    9   26   16 o  149.518   23.831   33.828   8.9197   25.556   13.087   41.003   12.189  115.772   37.879  157.491   30.983 -41.71918 48.93635 
1 1 1    9   26   17 o   55.748   25.315  -1.4400   7.9498   9.4521   12.651  -8.5481   10.220   82.347   34.712   54.026   25.837 28.32137 43.27225 
1 1 1    9   26   18 o   94.280   29.473   15.063   7.9915   11.976   11.550   17.899   11.069   85.381   34.258   98.412   34.788 -13.03107 48.82444 
1 1 1    9   26   19 o  166.626   23.618   42.596   9.9086   34.790   19.955   45.151   11.415  117.354   45.665  167.539   27.239 -50.18490 53.17199 
1 1 1    9   26   20 o   79.522   32.817   9.7522   10.955   8.0000   18.305   10.730   13.675   82.787   37.906   82.896   35.555 -0.1083450 51.97091 
1 1 1    9   26   21 o   58.458   25.624   1.7233   7.4253   3.0217   10.609   0.4766   10.396   67.345   30.019   63.396   28.850 3.948544 41.63462 
1 1 1    9   26   22 o   64.813   27.751   4.3013   8.3050   15.290   16.027   0.2674   9.7104   87.766   38.070   61.139   27.845 26.62700 47.16686 
1 1 1    9   26   23 o   74.537   29.107   9.1719   8.1298   0.0000   0.0000   9.1719   8.1298  ?   ?    74.537   29.107 0.000000 29.10720 
1 1 1    9   26   24 o   64.996   27.255   5.4793   7.7333   0.0000   0.0000   5.4793   7.7333  ?   ?    64.996   27.255 0.000000 27.25517 
1 1 1    9   26   25 o   91.830   28.631   15.721   7.5469   29.490   17.375   12.519   8.3786  100.182   41.334   80.945   30.029 19.23724 51.09016 
1 1 1    9   26   26 o   46.827   22.239  -4.2784   7.3059 -15.2200   16.443  -1.5869   8.1551   57.706   28.651   52.603   24.509 5.103745 37.70341 
1 1 1    9   26   27 o   77.298   27.596   11.420   6.9817   36.540   17.201   6.4655   7.6392  105.160   41.941   64.482   27.067 40.67825 49.91645 
1 1 1    9   26   28 o   68.985   27.537   8.8603   7.4208   13.660   17.695   7.8360   8.1744   74.989   35.310   66.748   28.007 8.240791 45.06913 
1 1 1    9   26   29 o   69.724   27.989   9.5939   7.7133   17.660   18.244   7.8384   8.5114   76.355   35.923   65.928   28.158 10.42646 45.64342 
1 1 1    9   26   30 o   40.766   20.246 -12.1717   8.2362   0.0000   0.0000 -12.1717   8.2362  ?   ?    40.766   20.246 0.000000 20.24624 
1 1 1    9   26   31 o   41.759   20.715 -11.3277   8.5203 -11.5600   16.757 -11.2467   9.8949   55.309   27.687   45.114   22.369 10.19484 35.59475 
1 1 1    9   26   32 o   61.664   26.581   7.2629   7.7154  -5.3840   17.405   10.356   8.6073   57.376   28.646   67.406   28.535 -10.03044 40.43299 
1 1 1    9   26   33 o   65.490   27.559   9.9348   7.9515   2.4200   18.318   11.680   8.8264   59.693   29.736   68.028   28.852 -8.335560 41.43308 
1 1 1    9   26   34 o   56.251   28.395  -2.2800   19.637  -2.2800   19.637   0.0000   0.0000   56.251   28.395  ?   ?  0.000000 28.39514 
1 1 1    9   27    0 o  195.949   24.195   56.074   12.020   77.960   23.348   48.182   14.021  205.549   45.092  174.230   32.255 31.31909 55.44033 
1 1 1    9   27    1 f  164.106   27.648   40.820   11.335   51.990   20.262   35.732   13.675  164.580   45.833  145.464   36.385 19.11551 58.51982 
1 1 1    9   27    2 o  117.718   30.975   22.168   9.5729   16.803   14.141   26.707   13.006  101.381   38.704  124.195   37.375 -22.81314 53.80405 
1 1 1    9   27    3 f  102.031   31.831   16.773   9.3265   24.076   13.966   10.895   12.530  116.541   39.165   89.037   35.697 27.50348 52.99186 
1 1 1    9   27    4 o   89.757   31.816   12.398   9.2645  -1.3159   13.985   23.123   12.367   73.372   33.417  115.766   36.730 -42.39361 49.65645 
1 1 1    9   27    5 o  152.583   25.492   34.819   9.7199   26.198   14.680   41.548   12.970  119.893   40.154  160.811   32.259 -40.91724 51.50694 
1 1 1    9   27    6 o   96.581   31.767   15.038   9.2001   20.055   13.862   11.088   12.299  106.882   38.792   88.510   35.409 18.37169 52.52279 
1 1 1    9   27    7 o   94.958   33.228   14.633   10.080   24.680   18.688   10.510   11.970  112.967   44.126   86.787   34.857 26.18021 56.23290 
1 1 1    9   27    8 o   93.255   33.749   14.100   10.481   23.860   20.305   10.554   12.237  110.461   45.023   86.740   35.100 23.72062 57.08901 
1 1 1    9   27    9 o   89.439   33.964   12.597   10.853   4.1790   19.199   16.551   13.157   85.784   39.103   98.253   37.375 -12.46843 54.09164 
1 1 1    9   27   10 o   64.142   29.890  -4.5650   12.138   8.9110   15.806 -23.9300   18.948   86.718   37.712   64.650   31.850 22.06805 49.36169 
1 1 1    9   27   11 o  110.369   37.687   22.735   12.935   27.920   17.978   17.170   18.624  115.005   43.703   98.506   41.851 16.49934 60.51009 
1 1 1    9   27   12 o   77.093   31.664   7.6545   10.140   3.4475   12.280   16.670   17.976   73.503   32.555   96.748   41.111 -23.24535 52.43969 
1 1 1    9   27   13 o   82.224   29.969   10.770   8.2862  -1.2435   12.325   20.679   11.194   67.186   30.887  106.240   35.045 -39.05388 46.71350 
1 1 1    9   27   14 o   68.356   28.419   5.1419   8.3035  -4.4081   12.372   12.970   11.201   63.447   29.764   87.536   34.170 -24.08907 45.31586 
1 1 1    9   27   15 o   58.263   26.035   0.2479   8.0340  -2.8045   11.493   3.1650   11.235   62.816   29.210   69.877   31.035 -7.060421 42.61908 
1 1 1    9   27   16 o  139.459   28.473   32.204   9.9376   33.000   18.490   31.880   11.784  116.165   44.279  131.747   34.223 -15.58154 55.96281 
1 1 1    9   27   17 o   51.557   25.094 -11.9618   10.730 -15.6000   16.721  -9.4150   13.990   62.268   30.524   61.269   29.539 0.9988289 42.47732 
1 1 1    9   27   18 o   84.864   31.623   12.797   9.3121   9.7460   12.222   17.020   14.378   79.498   33.842   91.662   37.684 -12.16405 50.64925 
1 1 1    9   27   19 o   78.345   28.236   10.342   7.3256   16.742   9.7204   1.9280   11.145   93.843   32.642   66.178   30.021 27.66447 44.34779 
1 1 1    9   27   20 o   85.514   28.877   13.010   7.5929   10.015   10.573   16.199   10.911   77.562   32.142   90.174   34.099 -12.61258 46.86003 
1 1 1    9   27   21 o   57.144   25.210   1.8053   7.2934  -9.1868   10.267   13.003   10.363   51.400   24.908   82.580   32.673 -31.17987 41.08490 
1 1 1    9   27   22 o  181.039   19.048   49.305   8.7985   33.290   13.092   62.496   11.882  121.903   37.661  196.711   23.803 -74.80860 44.55246 
1 1 1    9   27   23 o   83.819   29.562   13.532   7.9887   0.0000   0.0000   13.532   7.9887  ?   ?    83.819   29.562 0.000000 29.56238 
1 1 1    9   27   24 o   58.096   25.566   3.0794   7.4554 -17.4100   16.307   8.4942   8.3829   56.167   27.992   69.891   28.759 -13.72429 40.13228 
1 1 1    9   27   25 o   76.665   28.893   11.696   7.8171  -6.8300   17.014   16.654   8.8011   61.571   30.303   88.149   31.036 -26.57718 43.37626 
1 1 1    9   27   26 o   36.275   18.069 -12.5583   6.7604  -9.8510   16.874 -13.0760   7.3785   58.743   29.142   37.995   18.918 20.74882 34.74375 
1 1 1    9   27   27 o   66.195   27.382   8.1831   7.6536   2.6890   17.731   9.4412   8.4848   65.222   31.858   68.771   28.670 -3.548569 42.85931 
1 1 1    9   27   28 o   57.370   25.398   4.2033   7.4658 -30.0100   17.952   11.358   8.2094   50.528   25.682   72.098   28.899 -21.57013 38.66132 
1 1 1    9   27   29 o   49.257   23.975  -5.2593   9.7960   0.0000   0.0000  -5.2593   9.7960  ?   ?    49.257   23.975 0.000000 23.97546 
1 1 1    9   27   30 o   78.529   30.116   15.416   8.5860   27.420   18.687   12.204   9.6668   77.276   36.357   69.883   29.932 7.393173 47.09252 
1 1 1    9   27   31 o   44.456   21.594  -4.6628   7.8381 -22.5200   18.429  -0.7193   8.6604   50.812   25.846   50.072   23.901 0.7405205 35.20319 
1 1 1    9   27   32 o   51.260   24.574   0.4707   9.3702   9.9940   18.350  -2.8885   10.898   61.532   30.501   50.263   24.640 11.26940 39.21053 
1 1 1    9   28    0 o  239.984   18.134   81.046   11.190   77.988   17.004   83.382   14.861  220.295   30.627  235.708   24.707 -15.41342 39.35020 
1 1 1    9   28    1 o   61.414   27.681  -0.7950   9.2986  -3.1581   13.455   1.3657   12.866   68.515   31.773   72.552   32.643 -4.036461 45.55298 
1 1 1    9   28    2 o   78.318   31.334   8.2523   9.6317   13.432   13.581   3.0097   13.663   91.562   37.003   75.984   33.954 15.57740 50.22028 
1 1 1    9   28    3 o   67.096   30.631  -1.1734   11.838  -9.1793   14.547   14.520   20.367   65.080   31.041   96.180   42.292 -31.09987 52.46083 
1 1 1    9   28    4 o   67.429   30.474   0.0242   11.359 -15.7283   13.595   36.450   20.674   57.739   28.135  125.773   47.068 -68.03405 54.83614 
1 1 1    9   28    5 o   83.779   33.426   10.493   10.930   9.4747   13.332   12.580   19.086   84.122   35.557   92.608   40.823 -8.485397 54.13690 
1 1 1    9   28    6 o   87.693   31.398   12.629   9.0443   6.8348   13.310   17.599   12.328   79.818   34.658   98.580   36.454 -18.76278 50.29949 
1 1 1    9   28    7 o   48.878   23.298  -7.3411   8.1692  -1.3726   12.157 -12.2558   11.031   66.844   30.710   53.213   25.795 13.63091 40.10580 
1 1 1    9   28    8 f   82.041   30.766   10.674   8.8417   21.099   13.485   2.8127   11.710  104.186   38.192   71.025   31.608 33.16162 49.57500 
1 1 1    9   28    9 o  140.177   26.109   30.985   9.1315   32.018   13.223   30.043   12.625  129.432   37.362  126.214   36.528 3.218506 52.25132 
1 1 1    9   28   10 o  118.778   29.429   23.735   9.0080   27.257   13.084   20.561   12.420  117.305   37.839  102.870   36.798 14.43419 52.78168 
1 1 1    9   28   11 o   63.744   27.443   3.1907   8.2024  -2.4452   12.143   7.9194   11.123   64.422   29.980   76.972   32.503 -12.55005 44.21816 
1 1 1    9   28   12 o  127.149   26.118   26.035   8.3143   26.350   12.529   25.787   11.114  114.797   37.027  117.173   34.377 -2.375839 50.52502 
1 1 1    9   28   13 o   43.300   21.411 -15.2240   8.8379 -37.1200   17.142  -7.2961   10.315   52.856   26.663   54.498   26.033 -1.641384 37.26407 
1 1 1    9   28   14 o  127.620   35.704   31.769   12.266   18.580   19.279   40.740   15.899   92.668   40.930  135.504   41.444 -42.83543 58.24786 
1 1 1    9   28   15 o  142.009   29.303   34.626   10.422   21.755   13.538   53.350   16.328  100.006   37.943  160.842   39.482 -60.83592 54.75879 
1 1 1    9   28   16 o  103.645   29.042   19.021   8.1092   19.578   11.476   18.464   11.460   97.557   35.313   95.038   35.147 2.518913 49.82269 
1 1 1    9   28   17 o   75.937   28.825   9.7662   7.8155   6.0271   11.150   13.377   10.958   71.064   31.269   83.803   33.459 -12.73955 45.79563 
1 1 1    9   28   18 o   66.381   27.028   6.2524   7.3070   17.170   10.207  -5.2266   10.466   92.080   33.307   55.485   26.427 36.59511 42.51716 
1 1 1    9   28   19 o   77.531   28.970   10.820   7.8261   18.605   11.760   4.6307   10.485   91.918   35.247   66.923   29.836 24.99473 46.17910 
1 1 1    9   28   20 o   55.973   24.779   1.8858   7.1057  -8.3593   10.187   11.593   9.9163   51.081   24.767   77.813   31.559 -26.73211 40.11718 
1 1 1    9   28   21 o   73.038   28.981   9.7183   8.1742   6.2070   14.044   11.517   10.053   70.454   32.597   76.553   31.495 -6.098396 45.32685 
1 1 1    9   28   22 o   56.492   25.217   2.3141   7.5146  -9.2847   11.091   12.156   10.217   51.340   25.102   76.470   31.635 -25.13082 40.38456 
1 1 1    9   28   23 o   58.522   26.627   2.5830   8.8517 -11.1900   16.697   7.9674   10.440   58.348   28.952   68.069   30.089 -9.721859 41.75638 
1 1 1    9   28   24 o   83.714   29.435   14.968   7.9147   3.3340   16.882   18.245   8.9604   65.810   31.903   89.747   31.333 -23.93716 44.71652 
1 1 1    9   28   25 o   66.382   27.129   8.4614   7.3971   3.3350   16.689   9.7148   8.2521   64.409   31.338   68.879   28.458 -4.470085 42.33073 
1 1 1    9   28   26 o   57.442   25.651   4.2575   7.7840   1.7920   16.931   4.9184   8.7653   62.387   30.609   59.463   26.831 2.923550 40.70449 
1 1 1    9   28   27 o   64.046   27.981   8.2653   8.7896   0.0000   0.0000   8.2653   8.7896  ?   ?    64.046   27.981 0.000000 27.98136 
1 1 1    9   28   28 o   53.400   25.227   1.0623   9.1689   0.0000   0.0000   1.0623   9.1689  ?   ?    53.400   25.227 0.000000 25.22744 
1 1 1    9   28   29 o   46.704   22.151  -1.1968   7.2025   9.1250   17.938  -3.1807   7.8643   62.887   30.983   45.881   22.127 17.00615 38.07269 
1 1 1    9   28   30 o   53.260   24.662   3.4334   8.0622   1.2140   18.101   3.9826   9.0047   57.481   28.775   54.756   25.593 2.725266 38.50951 
1 1 1    9   28   31 o   52.975   25.905   1.3432   11.822   2.3640   17.859   0.5470   15.772   56.123   28.164   54.620   27.270 1.502514 39.20268 
1 1 1    9   29    0 o  111.505   29.459   21.162   8.6362   20.817   13.400   21.407   11.295  101.689   37.926  106.011   35.213 -4.322670 51.75303 
1 1 1    9   29    1 o   84.271   31.756   11.986   9.4423   0.2737   13.960   21.863   12.820   70.718   32.642  104.599   37.389 -33.88078 49.63274 
1 1 1    9   29    2 o  214.557   18.208   66.133   10.024   57.353   14.342   74.519   14.016  183.642   31.270  218.447   25.235 -34.80530 40.18233 
1 1 1    9   29    3 o   94.434   32.171   16.010   9.4250   18.302   14.235   14.221   12.577   95.921   38.185   88.902   35.721 7.019226 52.28884 
1 1 1    9   29    4 o   45.475   22.080 -10.0979   8.1716 -22.3188   12.693  -1.4476   10.679   50.062   24.908   62.182   28.648 -12.11911 37.96199 
1 1 1    9   29    5 o   61.323   27.291   1.2757   8.7310   3.1096   13.165  -0.1640   11.665   72.177   32.697   65.681   30.142 6.496109 44.47021 
1 1 1    9   29    6 o  157.382   25.884   39.553   10.185   59.840   19.100   31.493   12.039  165.092   43.904  128.965   35.101 36.12703 56.21016 
1 1 1    9   29    7 o  125.395   31.061   27.743   10.037   36.490   18.699   24.203   11.896  119.609   44.763  110.051   36.118 9.557785 57.51757 
1 1 1    9   29    8 o   57.234   26.391  -1.8204   9.0900  -0.1590   16.873  -2.4997   10.790   72.961   34.393   60.519   28.195 12.44206 44.47323 
1 1 1    9   29    9 o  137.368   33.932   35.262   12.003   35.190   19.010   35.310   15.479  114.884   44.608  124.326   41.219 -9.441597 60.73617 
1 1 1    9   29   10 o  103.487   35.356   21.761   11.384   10.540   18.044   29.180   14.672   82.818   37.812  112.692   40.029 -29.87415 55.06408 
1 1 1    9   29   11 o   58.374   26.730  -0.5625   9.1055   5.2168   12.330  -7.4960   13.505   71.826   32.164   60.655   29.188 11.17026 43.43275 
1 1 1    9   29   12 o   53.920   24.885  -1.7713   8.1093   0.4491   12.132  -3.5648   10.903   65.371   30.263   58.655   27.649 6.715534 40.99192 
1 1 1    9   29   13 o   60.400   26.745   2.2931   8.2826  -0.1633   12.601   4.1615   10.990   65.124   30.384   67.927   30.396 -2.802917 42.97763 
1 1 1    9   29   14 o   94.074   29.705   16.418   8.0964   13.915   12.197   18.390   10.825   83.552   34.565   93.921   34.251 -10.36877 48.66108 
1 1 1    9   29   15 o   87.734   29.446   14.380   7.8951   23.572   11.197   5.2905   11.134  104.905   35.068   68.788   30.701 36.11665 46.60796 
1 1 1    9   29   16 f   41.341   20.218  -9.5621   7.2079 -13.6355   10.015  -5.1850   10.382   46.689   23.031   54.639   26.105 -7.950573 34.81248 
1 1 1    9   29   17 o   95.402   28.548   17.015   7.6041   21.809   10.593   11.919   10.922  100.041   34.106   77.894   32.506 22.14701 47.11522 
1 1 1    9   29   18 o   84.906   28.712   13.880   7.5070   7.7171   11.218   18.880   10.103   70.261   31.117   92.739   33.187 -22.47809 45.49346 
1 1 1    9   29   19 o   54.087   23.949   1.9839   6.6416   1.6236   9.3758   2.3469   9.4094   58.861   27.016   59.897   27.330 -1.036041 38.42925 
1 1 1    9   29   20 o   87.780   30.601   16.458   8.5456   14.160   14.937   17.576   10.419   76.542   34.735   86.157   33.144 -9.615402 48.01047 
1 1 1    9   29   21 o   53.978   24.534   1.5169   7.4899  -9.8871   10.859   11.865   10.344   49.326   24.264   73.458   31.199 -24.13225 39.52381 
1 1 1    9   29   22 o   86.585   28.812   15.888   7.5600   7.6825   10.209   25.850   11.249   65.572   29.322   99.004   35.063 -33.43180 45.70768 
1 1 1    9   29   23 o   55.413   25.854   1.5228   9.1257 -34.7800   17.000   16.218   10.816   47.655   24.294   78.003   32.432 -30.34793 40.52230 
1 1 1    9   29   24 o   52.398   24.290   1.2295   7.8542 -14.8200   17.046   5.5552   8.8496   53.739   27.042   59.840   26.985 -6.100903 38.20239 
1 1 1    9   29   25 o   63.542   27.348   8.3578   8.1420   12.970   17.476   7.0793   9.2015   67.138   32.526   61.444   27.630 5.693401 42.67699 
1 1 1    9   29   26 o   65.320   29.850   10.728   11.278   0.0000   0.0000   10.728   11.278  ?   ?    65.320   29.850 0.000000 29.85013 
1 1 1    9   29   27 o   55.070   25.497   3.9692   8.6145 -10.6300   17.497   8.6407   9.8973   53.270   26.880   61.796   28.132 -8.526157 38.90939 
1 1 1    9   29   28 o   51.404   23.716   2.8456   7.3561  -0.8913   16.973   3.7099   8.1626   55.699   27.880   53.432   24.767 2.267262 37.29211 
1 1 1    9   29   29 o   40.853   20.410 -10.4304   8.9019   12.840   17.499 -18.5551   10.340   60.627   30.005   39.498   20.014 21.12925 36.06767 
1 1 1    9   29   30 o   61.137   28.988   13.491   12.316 -10.1300   18.010   34.240   16.879   50.073   25.478   72.534   34.255 -22.46148 42.69125 
1 1 1    9   30    0 o   59.922   27.599  -0.6254   9.9026  -7.2956   13.417   7.3550   14.676   60.427   29.082   76.391   34.571 -15.96391 45.17644 
1 1 1    9   30    1 f  129.797   31.538   30.816   10.499   18.606   13.918   46.940   15.994   92.270   37.400  145.354   40.806 -53.08412 55.35230 
1 1 1    9   30    2 f  154.755   27.902   40.555   10.773   34.323   14.411   48.450   16.221  123.008   39.714  147.516   40.983 -24.50758 57.06852 
1 1 1    9   30    3 o  184.182   21.822   52.307   10.209   36.805   12.724   80.310   17.102  135.822   35.699  210.157   32.462 -74.33516 48.25097 
1 1 1    9   30    4 o  169.531   23.834   45.734   10.177   41.014   12.504   55.000   17.518  147.411   33.505  154.695   42.439 -7.283600 54.07093 
1 1 1    9   30    5 o   80.208   30.664   11.595   8.8843   10.029   10.700   15.070   15.942   77.107   32.175   85.538   37.519 -8.431229 49.42585 
1 1 1    9   30    6 o   72.945   29.471   8.5615   8.6115  -5.0391   12.325   21.533   12.037   59.765   28.524   99.395   36.137 -39.63077 46.03757 
1 1 1    9   30    7 o   71.574   28.906   8.1245   8.2813   1.3772   12.489   13.420   11.063   66.249   30.682   83.036   33.454 -16.78740 45.39365 
1 1 1    9   30    8 o  129.231   28.263   29.215   9.1974   37.828   13.982   22.644   12.212  130.306   38.647  100.664   36.429 29.64204 53.10946 
1 1 1    9   30    9 o   55.904   25.474   0.0109   8.1399 -25.3296   12.239   20.108   10.900   45.859   23.055   97.163   34.503 -51.30411 41.49656 
1 1 1    9   30   10 o   67.597   27.977   6.7338   7.9957   6.2015   12.330   7.1200   10.503   70.968   31.941   70.650   30.733 0.3184967 44.32555 
1 1 1    9   30   11 o   61.162   26.403   3.9603   7.6351   6.9189   10.431   0.5457   11.206   69.911   30.515   62.291   28.925 7.620796 42.04496 
1 1 1    9   30   12 o   47.653   22.746  -5.3018   7.8427 -12.1092   11.168   1.3218   11.016   50.469   24.782   62.551   28.916 -12.08160 38.08235 
1 1 1    9   30   13 o   53.623   24.243   0.5776   7.1960   9.4395   10.527  -7.1968   9.8595   73.195   31.289   51.013   24.645 22.18209 39.82946 
1 1 1    9   30   14 o   57.037   25.545   2.0162   7.7813   10.087   11.549  -4.6929   10.530   73.865   32.178   54.530   26.117 19.33476 41.44336 
1 1 1    9   30   15 o   85.929   28.574   14.388   7.4363   2.2779   9.9592   29.646   11.179   60.784   27.878  115.735   34.611 -54.95073 44.44194 
1 1 1    9   30   16 o   66.088   27.205   7.3325   7.5059   19.807   11.037  -3.4031   10.238   90.470   34.275   54.335   25.950 36.13491 42.99038 
1 1 1    9   30   17 o   41.841   20.245  -6.3078   6.7179  -7.7298   10.100  -5.1796   8.9963   49.708   24.228   49.451   23.802 0.2577820 33.96406 
1 1 1    9   30   18 o   53.296   24.426   0.9815   7.6266   20.890   13.314  -8.7408   9.3043   84.867   35.684   46.601   22.829 38.26598 42.36142 
1 1 1    9   30   19 o   47.080   22.638  -4.4401   8.0874   4.8080   13.891  -9.1818   9.9470   64.056   30.491   47.275   23.249 16.78041 38.34340 
1 1 1    9   30   20 o   53.923   24.331   2.5915   7.2070  -3.0128   9.6985   9.5024   10.770   51.388   24.730   67.036   30.037 -15.64751 38.90700 
1 1 1    9   30   21 o   61.802   26.667   7.0524   7.7808   12.642   11.032   1.5205   10.975   70.304   31.011   56.831   27.066 13.47248 41.16177 
1 1 1    9   30   22 o   49.191   23.273  -0.7824   7.8539   5.9563   11.225  -7.2448   10.993   60.685   28.431   49.040   24.179 11.64489 37.32203 
1 1 1    9   30   23 o   79.477   29.320   15.656   7.9657   20.802   11.272   10.522   11.259   80.557   33.269   64.957   29.736 15.60071 44.62173 
1 1 1    9   30   24 o   51.748   24.689   0.5761   9.2170   0.0000   0.0000   0.5761   9.2170  ?   ?    51.748   24.689 0.000000 24.68873 
1 1 1    9   30   25 o   62.786   28.151   9.9029   9.4769   4.3530   18.255   11.950   11.088   58.771   29.342   64.601   29.550 -5.830563 41.64314 
1 1 1    9   30   26 o   65.476   27.696   11.349   8.0982   18.690   17.846   9.4451   9.0877   64.613   31.645   61.153   27.482 3.460011 41.91247 
1 1 1    9   30   27 o   44.664   21.784  -3.1281   8.2056 -14.4400   17.471   0.0734   9.2945   49.287   25.080   49.104   23.772 0.1834488 34.55585 
1 1 1    9   30   28 o   55.722   26.910   7.7038   11.729   2.2500   17.763   11.920   15.618   53.611   27.056   57.915   28.604 -4.303658 39.37268 
1 1 1    9   30   29 o   49.465   23.544   3.5069   8.2780 -15.3700   18.130   8.4788   9.3045   47.017   24.060   55.297   25.900 -8.279346 35.35093 
1 1 1    9   31    0 o  152.312   24.706   38.636   9.4136   31.103   14.263   44.450   12.530  109.999   39.425  150.782   32.997 -40.78297 51.41207 
1 1 1    9   31    1 o  110.923   29.974   23.319   8.8167   26.142   13.512   21.226   11.635  101.979   38.074   96.046   35.434 5.932816 52.01184 
1 1 1    9   31    2 o   79.367   29.905   12.068   8.3732   12.341   12.732   11.860   11.115   78.479   33.987   77.804   32.653 0.6752930 47.13121 
1 1 1    9   31    3 o   65.070   27.103   6.1244   7.5727   5.6630   10.616   6.6026   10.806   67.510   30.065   69.080   30.570 -1.569511 42.87706 
1 1 1    9   31    4 o   48.534   22.968  -3.9476   7.6579 -17.1105   10.737   9.6812   10.925   45.976   22.881   73.860   31.733 -27.88382 39.12134 
1 1 1    9   31    5 o   74.686   28.561   10.209   7.7087   11.271   11.025   9.1937   10.782   76.386   32.314   72.841   31.411 3.544731 45.06470 
1 1 1    9   31    6 o  152.133   23.036   37.717   8.7938   36.441   13.216   38.730   11.780  125.322   37.667  139.063   33.167 -13.74049 50.18843 
1 1 1    9   31    7 o  193.579   18.379   56.655   9.1050   55.382   13.449   57.732   12.371  169.928   31.722  181.361   27.170 -11.43300 41.76712 
1 1 1    9   31    8 o  122.065   26.906   26.526   8.2784   22.291   12.765   29.600   10.876   93.895   36.526  118.010   33.830 -24.11543 49.78619 
1 1 1    9   31    9 o  128.567   26.076   28.967   8.3871   17.173   12.047   40.061   11.684   84.808   34.637  141.314   32.585 -56.50560 47.55514 
1 1 1    9   31   10 o  142.383   24.486   34.485   8.7053   34.167   12.490   34.786   12.139  120.311   36.721  123.785   35.817 -3.473785 51.29599 
1 1 1    9   31   11 o   60.933   25.951   5.0867   7.1930   1.8960   9.9809   8.5348   10.376   59.771   27.593   69.589   30.402 -9.818211 41.05681 
1 1 1    9   31   12 o   84.780   29.899   15.075   8.1713   20.691   11.986   10.199   11.169   89.292   35.200   71.758   31.441 17.53391 47.19713 
1 1 1    9   31   13 o   50.388   23.399  -0.7899   7.3351   6.2026   10.582  -7.2579   10.177   65.119   29.423   50.101   24.398 15.01751 38.22232 
1 1 1    9   31   14 o   71.911   28.033   10.397   7.5306   12.495   11.311   8.7258   10.092   73.690   31.974   67.926   29.822 5.764687 43.72253 
1 1 1    9   31   15 o   69.718   27.909   9.8379   7.6464   2.8628   11.488   15.385   10.245   60.551   28.493   78.798   32.034 -18.24672 42.87267 
1 1 1    9   31   16 o   60.237   25.621   5.9633   6.9941  -0.5882   10.005   12.226   9.7813   54.469   25.913   72.178   30.479 -17.70967 40.00615 
1 1 1    9   31   17 o   56.126   25.683   3.1876   8.3856   13.570   14.473  -2.0590   10.288   70.225   32.696   52.867   25.449 17.35766 41.43280 
1 1 1    9   31   18 o  125.384   28.386   32.234   9.0047   33.320   14.592   31.566   11.444   94.036   38.230  106.174   35.452 -12.13859 52.13821 
1 1 1    9   31   19 o   40.450   19.939  -8.3485   7.4626 -14.2821   10.602  -2.5220   10.506   43.793   21.937   51.546   25.029 -7.752769 33.28234 
1 1 1    9   31   20 o   43.359   21.233  -6.2040   8.0269  -5.7461   12.052  -6.5690   10.761   50.663   25.042   48.304   23.836 2.358471 34.57265 
1 1 1    9   31   21 o   86.902   30.137   19.486   8.2828   23.127   11.833   15.988   11.598   80.596   33.751   70.093   31.305 10.50281 46.03379 
1 1 1    9   31   22 o   69.475   29.300   13.743   9.0205   6.3610   13.708   19.382   11.980   58.546   28.466   72.873   32.221 -14.32716 42.99429 
1 1 1    9   31   23 o   50.193   24.285  -0.0489   9.6626 -11.3079   12.046   20.270   16.182   45.892   23.044   66.632   32.035 -20.74001 39.46228 
1 1 1    9   31   24 o   42.040   20.990  -9.6097   9.3507 -33.4500   16.795   1.0994   11.257   43.779   22.457   51.849   25.338 -8.070625 33.85727 
1 1 1    9   31   25 o   45.869   22.223  -1.1806   8.1608 -11.9800   17.387   1.8706   9.2421   49.190   25.029   50.047   24.098 -0.8568687 34.74449 
1 1 1    9   31   26 o   57.973   27.879   11.685   12.275   11.680   17.945   11.690   16.829   56.303   28.251   56.503   28.203 -0.1994972 39.91941 
1 1 1    9   31   27 o   40.389   20.306  -9.6868   9.5026   11.680   17.564 -18.5297   11.299   54.551   27.450   39.235   19.984 15.31592 33.95399 
1 1 1    9   32    0 o   53.016   24.402   0.2233   7.7240 -10.2552   11.377   9.1817   10.520   50.625   24.890   70.012   30.599 -19.38685 39.44348 
1 1 1    9   32    1 o   45.936   22.141  -5.8080   7.8491 -22.0558   12.242   5.5335   10.228   45.704   22.988   64.398   29.028 -18.69337 37.02766 
1 1 1    9   32    2 o   90.573   30.105   17.214   8.2550   18.424   12.314   16.226   11.125   84.248   34.782   81.913   33.350 2.334648 48.18722 
1 1 1    9   32    3 o  175.579   20.309   49.184   9.0663   58.013   14.246   43.173   11.754  164.747   34.488  145.535   32.047 19.21188 47.07894 
1 1 1    9   32    4 f  164.363   21.943   44.488   9.1088   37.689   13.795   49.744   12.129  118.428   38.896  159.371   30.492 -40.94234 49.42312 
1 1 1    9   32    5 o   58.503   26.226   3.3946   8.2211   1.2346   12.553   5.0168   10.878   61.440   29.171   63.837   29.226 -2.396446 41.29280 
1 1 1    9   32    6 f   94.628   29.668   18.631   8.0908   12.811   12.486   22.844   10.623   74.332   32.879   96.558   34.086 -22.22572 47.35918 
1 1 1    9   32    7 o   76.064   28.704   12.010   7.7211   19.936   11.547   5.6015   10.384   86.877   34.453   63.688   28.924 23.18923 44.98506 
1 1 1    9   32    8 o   84.592   29.855   15.597   8.1490  -4.6864   12.176   32.053   10.967   55.223   26.845  117.855   34.027 -62.63253 43.34179 
1 1 1    9   32    9 o  107.816   27.908   22.812   7.8545   26.023   11.644   20.130   10.640   98.179   35.565   88.285   33.604 9.894341 48.92941 
1 1 1    9   32   10 o  104.472   28.487   22.103   7.9213   28.706   11.767   16.631   10.712  102.876   35.907   80.070   32.677 22.80537 48.54953 
1 1 1    9   32   11 o   41.640   20.360  -7.5173   7.2989   4.1585   10.337 -19.1272   10.308   60.176   27.886   41.735   21.004 18.44177 34.91121 
1 1 1    9   32   12 o   63.408   26.798   7.5916   7.5709   5.5359   10.867   9.5303   10.553   61.622   28.569   66.733   29.829 -5.110912 41.30290 
1 1 1    9   32   13 o   49.886   23.371  -0.2065   7.5849 -11.2887   11.087   9.5448   10.400   47.122   23.418   65.975   29.542 -18.85344 37.69773 
1 1 1    9   32   14 o   62.628   26.024   7.7646   6.9576   2.5861   9.9484   12.722   9.7341   56.214   26.472   70.576   30.127 -14.36124 40.10454 
1 1 1    9   32   15 o   55.701   25.144   4.3188   7.7069   2.7054   11.589   5.5979   10.319   57.107   27.364   59.249   27.593 -2.141941 38.86118 
1 1 1    9   32   16 o   44.539   21.808  -5.9204   8.4603 -12.0500   14.537  -2.7809   10.404   50.280   25.256   50.534   24.621 -0.2536240 35.27163 
1 1 1    9   32   17 o   44.117   21.416  -4.0859   7.6761  -5.2234   10.970  -2.9945   10.745   48.975   24.148   50.273   24.607 -1.298046 34.47668 
1 1 1    9   32   18 o   63.139   27.063   9.6477   7.9127   6.5011   11.145   12.847   11.237   58.157   27.575   65.229   29.803 -7.072796 40.60304 
1 1 1    9   32   19 o   89.101   31.570   22.970   9.1204   3.0600   14.218   36.892   11.889   55.721   27.478  104.940   36.122 -49.21954 45.38537 
1 1 1    9   32   20 o   63.908   29.006   12.784   10.422   12.580   13.548   13.080   16.312   61.487   29.496   60.836   29.888 0.6511116 41.99154 
1 1 1    9   32   21 o   58.056   26.882   8.5537   9.5792   8.6082   12.002   8.4580   15.900   57.633   27.677   57.318   28.409 0.3152008 39.66214 
1 1 1    9   32   22 o   47.312   22.643   0.7523   7.8821   8.1431   11.355  -6.1198   10.950   56.348   27.023   45.778   22.834 10.56964 35.37835 
1 1 1    9   32   23 o   59.686   27.495   11.627   9.8333  -5.6150   17.225   19.962   11.976   49.944   25.362   66.630   30.564 -16.68564 39.71650 
1 1 1    9   32   24 o   49.109   24.338   1.1307   11.658   1.0790   16.872   1.1780   16.126   50.937   25.784   50.789   25.649 0.1483574 36.36835 
1 1 1    9   32   25 o   43.329   21.348  -2.0680   8.5209 -29.0900   17.264   6.6343   9.7973   42.203   21.698   51.565   24.825 -9.362186 32.97086 
1 1 1    9   32   26 o   48.024   22.955   4.5360   8.0460  -9.3930   17.959   8.0340   8.9998   45.745   23.448   51.722   24.598 -5.976681 33.98336 
1 1 1    9   33    0 o  101.421   29.834   22.465   8.3607   35.343   12.385   11.683   11.333  112.602   36.849   69.591   31.023 43.01026 48.16875 
1 1 1    9   33    1 o   63.725   26.874   7.7480   7.5883   4.2027   11.366   10.599   10.193   60.466   28.418   68.411   30.004 -7.945248 41.32533 
1 1 1    9   33    2 o   47.690   22.712  -2.4983   7.7259  -1.6562   11.105  -3.2882   10.756   54.543   26.302   52.646   25.508 1.897621 36.63937 
1 1 1    9   33    3 o  139.287   24.703   35.414   8.5864   40.721   12.447   30.596   11.860  125.182   36.282  103.743   36.057 21.43890 51.15173 
1 1 1    9   33    4 o   80.076   28.745   14.458   7.5850   7.3828   10.191   23.245   11.357   63.279   28.707   89.103   34.511 -25.82409 44.88976 
1 1 1    9   33    5 o   82.607   29.508   15.900   7.9838   19.910   11.544   12.223   11.053   81.617   33.685   69.752   30.891 11.86476 45.70422 
1 1 1    9   33    6 o   74.310   28.889   12.903   7.9807   2.1852   11.235   23.818   11.338   57.528   27.394   89.356   34.518 -31.82753 44.06789 
1 1 1    9   33    7 o  116.261   26.378   26.454   7.7615   18.282   11.488   33.318   10.528   77.806   32.953  116.943   33.205 -39.13731 46.78092 
1 1 1    9   33    8 o   57.854   27.484   3.2914   11.175   3.2914   11.175   0.0000   0.0000   57.854   27.484  ?   ?  0.000000 27.48394 
1 1 1    9   33    9 o   61.015   26.336   7.3152   7.5935   13.731   10.851   1.1585   10.630   70.096   30.845   54.886   26.275 15.21048 40.51918 
1 1 1    9   33   10 o   61.900   26.743   8.0363   7.8457   1.8250   11.593   13.285   10.657   55.914   26.940   68.898   30.431 -12.98489 40.64255 
1 1 1    9   33   11 o   54.877   24.726   4.4442   7.4118 -17.3598   10.825   23.687   10.169   42.113   21.237   89.319   33.093 -47.20598 39.32095 
1 1 1    9   33   12 o   55.360   24.873   4.9992   7.4395   16.725   10.770  -5.7033   10.289   72.408   31.308   47.583   23.447 24.82495 39.11457 
1 1 1    9   33   13 o   86.378   29.900   19.475   8.1514   20.478   11.897   18.588   11.191   74.781   32.615   73.487   31.845 1.293350 45.58341 
1 1 1    9   33   14 o   41.514   20.559  -7.9538   8.2666 -11.6800   13.959  -5.9409   10.259   48.215   24.288   46.572   23.036 1.643215 33.47464 
1 1 1    9   33   15 o   59.463   27.014   8.6788   9.0670   10.730   15.877   7.6861   11.045   59.870   29.428   57.965   27.475 1.904293 40.26016 
1 1 1    9   33   16 o   40.989   20.478  -9.9679   8.9593  -2.8690   15.989 -13.2171   10.817   52.407   26.347   42.519   21.414 9.888039 33.95167 
1 1 1    9   33   17 f   43.850   21.806  -6.9184   9.6774 -10.9800   12.828  -1.5530   14.743   45.872   23.130   51.693   25.891 -5.821175 34.71817 
1 1 1    9   33   18 o   70.940   30.967   19.877   10.745   17.540   15.318   22.140   15.076   61.537   29.959   65.116   31.204 -3.578766 43.25758 
1 1 1    9   33   19 o  130.479   29.363   41.662   9.6845   37.955   12.384   47.500   15.539   93.718   36.111   89.037   38.037 4.680672 52.44823 
1 1 1    9   33   20 o   37.243   18.626  -9.1828   7.5028 -13.2050   11.043  -5.7347   10.225   41.367   20.930   44.058   21.990 -2.691608 30.35867 
1 1 1    9   33   21 o   37.959   19.141 -11.8098   8.7892  -0.0471   17.518 -15.7669   10.161   50.269   25.532   38.488   19.538 11.78029 32.15012 
1 1 1    9   33   22 o   46.187   23.135  -1.9961   11.782   17.750   17.031 -20.1200   16.317   55.625   27.855   43.287   22.200 12.33721 35.61932 
1 1 1    9   33   23 o   52.116   24.397   7.9714   8.2371   25.769   11.992  -7.9251   11.334   66.544   30.546   42.153   21.313 24.39052 37.24696 
1 1 1    9   33   24 o   56.804   25.777   12.406   8.2260   9.5361   11.867   15.060   11.413   50.506   24.943   54.880   26.514 -4.373600 36.40213 
1 1 1    9   34    0 o  112.931   28.526   28.215   8.3470   25.045   11.968   31.218   11.647   82.995   34.279   96.997   35.504 -14.00158 49.35175 
1 1 1    9   34    1 o  122.877   26.250   30.730   8.1013   36.381   11.498   25.159   11.416  110.519   35.453   85.312   34.120 25.20736 49.20406 
1 1 1    9   34    2 o   95.705   30.425   23.084   8.4831   10.384   12.227   34.871   11.779   62.527   29.415  104.399   35.954 -41.87223 46.45364 
1 1 1    9   34    3 o   76.751   29.341   15.750   8.1338   18.595   11.454   12.857   11.552   73.369   32.002   65.418   30.011 7.951149 43.87234 
1 1 1    9   34    4 o   72.234   28.638   13.822   7.9762   17.790   11.326   9.9186   11.235   72.095   31.623   61.909   28.819 10.18516 42.78490 
1 1 1    9   34    5 o   81.651   29.454   17.589   7.9737   3.7144   11.740   29.470   10.864   55.723   26.914   96.146   34.413 -40.42337 43.68771 
1 1 1    9   34    6 o   90.051   29.531   20.586   7.9529   27.320   11.133   13.569   11.365   88.977   34.251   65.436   29.927 23.54115 45.48364 
1 1 1    9   34    7 o   46.250   22.219  -1.3601   7.7514 -12.2413   11.336   8.1942   10.623   44.456   22.327   59.070   27.669 -14.61433 35.55370 
1 1 1    9   34    8 o   55.783   25.179   6.0928   7.7261  -4.6476   11.404   15.205   10.504   48.546   24.061   67.716   30.045 -19.16968 38.49187 
1 1 1    9   34    9 o   60.783   26.226   9.0943   7.5255   13.118   11.119   5.6928   10.223   63.515   29.251   55.497   26.342 8.018425 39.36354 
1 1 1    9   34   10 o   41.169   20.277  -5.8823   7.6636 -20.3612   11.138   7.1358   10.561   39.896   20.273   56.558   26.825 -16.66235 33.62379 
1 1 1    9   34   11 o   48.460   22.987   1.5602   7.7602  -3.9474   11.156   6.7243   10.802   47.696   23.667   55.644   26.598 -7.948547 35.60267 
1 1 1    9   34   12 o   42.107   20.819  -5.8148   8.3493 -10.9000   13.397  -2.5856   10.676   46.183   23.330   47.684   23.570 -1.500759 33.16332 
1 1 1    9   34   13 o   48.677   23.633   0.9265   9.3562   2.2580   16.471   0.2922   11.368   52.960   26.641   49.765   24.546 3.195168 36.22522 
1 1 1    9   34   14 o   51.230   25.047   3.3021   11.036  -8.3490   15.757   14.520   15.461   48.183   24.446   58.266   28.717 -10.08320 37.71338 
1 1 1    9   34   15 o   36.713   18.497 -12.2650   8.1093 -19.1125   9.7916   2.6880   14.469   36.871   18.763   51.477   25.763 -14.60647 31.87141 
1 1 1    9   34   16 o   47.241   22.587   2.1278   7.8009   4.8400   11.778   0.0083   10.412   51.465   25.307   47.517   23.448 3.947762 34.49976 
1 1 1    9   34   17 o   44.339   21.617  -0.5988   8.0585   10.708   11.535 -11.3768   11.262   55.217   26.672   41.756   21.128 13.46161 34.02609 
1 1 1    9   34   18 o   37.512   18.986 -13.0373   9.1350 -19.7700   16.646 -10.1357   10.928   43.600   22.364   41.461   20.959 2.138203 30.65035 
1 1 1    9   34   19 o   53.916   26.291   11.758   11.932   15.820   17.592   8.2970   16.238   53.468   26.976   50.964   25.738 2.503647 37.28459 
1 1 1    9   34   20 o   45.967   22.551   2.3698   9.1822   10.744   11.570 -11.8800   15.092   52.224   25.556   43.242   22.115 8.981937 33.79631 
1 1 1    9   34   21 o   48.920   23.367   6.7032   8.3068   4.5778   11.822   8.7759   11.675   47.161   23.556   49.631   24.553 -2.470089 34.02546 
1 1 1    9   34   22 o   37.541   18.747  -4.6991   7.4715  -3.2221   10.110  -6.4766   11.091   41.324   20.798   40.612   20.595 0.7121773 29.26979 
1 1 1    9   35    0 o   57.733   27.783   10.778   12.240   22.310   17.097  -1.3480   17.531   62.422   30.653   51.878   26.262 10.54374 40.36482 
1 1 1    9   35    1 o   45.541   22.913  -8.5898   12.212 -27.5400   17.144   10.930   17.400   44.277   22.711   56.584   28.309 -12.30603 36.29292 
1 1 1    9   35    2 o   46.233   23.124  -5.7813   11.575   5.2230   16.574 -16.2600   16.173   54.080   27.138   46.334   23.627 7.745804 35.98196 
1 1 1    9   35    3 o   64.426   29.730   17.125   11.569   7.2110   15.574   29.330   17.280   54.780   27.309   66.199   32.134 -11.41913 42.17122 
1 1 1    9   35    4 o   47.017   23.501  -4.4882   11.867  -4.7470   16.809  -4.2310   16.755   50.120   25.410   50.269   25.473 -0.1483459 35.97940 
1 1 1    9   35    5 o   55.311   26.845   8.5054   12.049   2.7930   16.724   14.670   17.374   52.595   26.506   57.545   28.713 -4.950573 39.07674 
1 1 1    9   35    6 o   55.917   26.628   9.1231   10.616   2.5670   14.827   16.020   15.207   51.791   25.944   58.879   28.913 -7.088058 38.84624 
1 1 1    9   35    7 o   69.554   31.572   24.126   12.351   16.760   18.266   30.330   16.764   57.372   28.747   65.878   31.901 -8.506130 42.94275 
1 1 1    9   35    8 o   54.285   26.441   8.4377   11.971   2.6520   16.776   14.440   17.087   51.613   26.076   56.345   28.169 -4.732338 38.38598 
1 1 1    9   35    9 o   72.486   30.484   20.992   9.7197   16.167   11.623   32.210   17.724   60.869   28.648   64.241   31.478 -3.371887 42.56269 
1 1 1    9   35   10 o   38.484   19.427 -12.0634   9.1993 -21.2974   11.187   7.2240   16.168   37.942   19.374   52.488   26.402 -14.54594 32.74785 
1 1 1    9   35   11 o   69.106   29.770   19.806   9.6646   11.995   12.401   31.890   15.424   55.410   26.972   66.572   31.810 -11.16185 41.70557 
1 1 1    9   35   12 o   54.336   25.171   8.8440   8.4126   14.970   13.873   5.2813   10.580   55.979   27.514   50.247   24.557 5.732044 36.87946 
1 1 1    9   35   13 o   55.455   25.478   9.9942   8.3665   22.069   12.633   0.5595   11.167   62.281   29.481   46.848   23.318 15.43277 37.58755 
1 1 1    9   35   14 o   58.390   27.019   14.079   9.6542   29.540   17.137   6.8920   11.685   59.516   29.497   50.427   24.875 9.088783 38.58582 
1 1 1    9   35   15 o   44.591   22.131  -0.2633   9.7737 -13.6000   16.762   6.6065   12.030   43.925   22.525   49.610   24.610 -5.684624 33.36165 
1 1 1    9   35   16 o   41.631   21.087  -7.5589   11.403 -15.6100   16.451  -0.1129   15.820   42.755   21.951   46.573   23.714 -3.817757 32.31387 
1 1 1    9   35   17 o   34.343   17.525 -16.9924   9.0192 -18.9577   11.191 -13.3500   15.235   36.849   18.860   42.000   21.533 -5.151337 28.62495 
1 1 1    9   35   18 o   32.872   16.738 -14.7061   7.8837 -16.8503   10.867 -12.3240   11.454   36.674   18.756   38.825   19.806 -2.151638 27.27776 
1 1 1    9   35   19 o   36.789   18.446  -5.4160   7.5796  -5.2104   10.334  -5.6552   11.151   39.957   20.220   40.395   20.502 -0.4377975 28.79587 
1 1 1    9   35   20 o   37.952   19.014  -3.4389   7.9752 -10.4753   10.797   5.0098   11.831   37.587   19.179   44.354   22.345 -6.766987 29.44759 
1 1 1    9   36    0 o   55.362   25.452   10.386   8.3682  -4.3462   12.031   24.192   11.647   44.418   22.397   65.993   30.223 -21.57499 37.61760 
1 1 1    9   36    1 o   46.773   22.435   3.3027   7.8337   5.0380   10.894   1.4446   11.273   49.122   24.190   46.940   23.374 2.181614 33.63809 
1 1 1    9   36    2 o   38.185   19.051  -6.3163   7.6381   3.6135   10.553 -17.2419   11.069   48.034   23.684   38.257   19.512 9.777035 30.68653 
1 1 1    9   36    3 o   61.232   26.939   14.103   8.2737   15.675   11.960   12.660   11.458   56.600   27.294   54.590   26.420 2.010479 37.98684 
1 1 1    9   36    4 o   34.638   17.540 -12.9087   7.8542  -5.9450   11.311 -19.3937   10.915   42.957   21.668   37.212   19.013 5.744320 28.82639 
1 1 1    9   36    5 o   39.153   19.455  -4.7079   7.6417  -0.7853   10.363  -9.3838   11.314   44.791   22.321   41.341   20.947 3.450344 30.61068 
1 1 1    9   36    6 o   44.307   21.574   1.2007   7.9521   1.5188   11.363   0.8953   11.133   46.504   23.206   46.054   22.980 0.4499893 32.65911 
1 1 1    9   36    7 o   34.679   17.567 -12.6690   7.9239 -13.3698   11.644 -12.0647   10.814   39.898   20.318   39.446   20.038 0.4522171 28.53676 
1 1 1    9   36    8 o   46.733   22.847   3.6420   9.1802   10.380   16.098   0.3948   11.175   50.288   25.423   45.380   22.701 4.908058 34.08337 
1 1 1    9   36    9 o   53.695   25.390   11.287   9.3250 -18.1700   16.163   25.984   11.417   41.899   21.523   66.209   30.169 -24.31020 37.05969 
1 1 1    9   36   10 o   52.103   25.590   12.573   11.929   0.0000   0.0000   12.573   11.929  ?   ?    52.103   25.590 0.000000 25.58973 
1 1 1    9   36   11 o   51.414   25.847   16.040   15.378   0.0000   0.0000   16.040   15.378  ?   ?    51.414   25.847 0.000000 25.84661 
1 1 1    9   36   12 o   39.920   20.070  -4.9057   9.2802 -18.7131   11.573   19.970   15.533   37.054   18.982   52.347   26.269 -15.29254 32.40923 
1 1 1    9   36   13 o   41.588   20.748  -1.0798   9.0581   0.3834   11.498  -3.4740   14.707   43.715   22.024   43.454   22.191 0.2603302 31.26500 
1 1 1    9   36   14 o   50.762   24.106   10.487   8.5810   13.078   12.205   7.9538   12.067   49.647   24.655   46.890   23.476 2.756481 34.04439 
1 1 1    9   36   15 f   41.349   20.455   0.9502   8.0996  -1.4833   11.475   3.3664   11.434   41.769   21.156   43.923   22.108 -2.154011 30.59978 
1 1 1    9   36   16 o   44.942   21.746   5.9104   7.7511   9.4335   10.531   1.7461   11.450   46.615   23.107   42.465   21.465 4.149376 31.53863 
1 1 1    9   36   17 o   45.120   21.910   7.0894   8.0512   11.225   11.619   3.2702   11.166   46.107   23.077   42.302   21.361 3.805000 31.44571 
1 1 1    9   36   18 o   36.662   18.541  -4.4008   8.6089  -9.7641   12.404   0.5830   11.958   37.504   19.242   40.498   20.620 -2.993393 28.20400 
1 1 1    9   37    0 o   38.216   19.284  -6.2908   9.0073 -12.6409   11.344   4.5420   14.817   38.085   19.452   45.432   23.116 -7.347221 30.21144 
1 1 1    9   37    1 o   67.602   29.519   25.314   9.7700   11.440   12.182   50.320   16.355   48.834   24.314   65.472   31.657 -16.63787 39.91704 
1 1 1    9   37    2 o   60.610   27.818   21.094   9.9409   19.929   12.617   23.000   16.142   53.614   26.329   51.548   25.986 2.065224 36.99334 
1 1 1    9   37    3 o   49.429   23.992   10.174   9.6271   15.698   12.513   2.1600   15.071   50.952   25.244   44.624   22.760 6.328354 33.98978 
1 1 1    9   37    4 o   47.373   23.111   7.6548   9.2506   10.032   11.547   3.3950   15.457   48.072   23.892   44.919   22.923 3.153481 33.11000 
1 1 1    9   37    5 o   61.484   27.900   21.384   9.6353   33.840   12.111  -0.0970   15.904   66.709   30.650   43.865   22.454 22.84440 37.99460 
1 1 1    9   37    6 o   52.396   25.112   14.221   9.7709   16.781   12.568   10.310   15.535   50.899   25.233   46.640   23.724 4.259174 34.63432 
1 1 1    9   37    7 o   47.037   23.030   8.1412   9.4305  -0.4266   11.892   22.660   15.480   42.336   21.454   50.774   25.577 -8.438019 33.38355 
1 1 1    9   37    8 o   36.139   18.249  -7.0136   8.1556 -12.0976   11.540  -1.9402   11.528   37.737   19.302   41.320   20.959 -3.583961 28.49273 
1 1 1    9   37    9 o   45.630   22.528   7.3411   9.6555   17.180   17.059   2.7031   11.712   47.130   24.054   42.995   21.730 4.134243 32.41612 
1 1 1    9   37   10 o   38.448   19.272  -2.2866   8.2398 -10.6675   11.999   5.1937   11.336   38.010   19.460   43.695   21.995 -5.684616 29.36836 
1 1 1    9   37   11 o   41.746   20.626   3.1332   8.1443  -8.7786   12.092   13.022   11.018   38.294   19.600   47.570   23.590 -9.276680 30.67031 
1 1 1    9   37   12 o   42.865   20.932   5.0780   7.6406   9.3671   10.915   0.9575   10.699   44.830   22.427   40.696   20.592 4.133869 30.44688 
1 1 1    9   37   13 o   36.900   18.561  -2.6531   7.9874   5.1375   11.610  -9.6535   11.006   42.012   21.279   36.465   18.667 5.546982 28.30651 
1 1 1    9   37   14 o   40.234   20.069   3.1858   8.4611   6.3162   12.110   0.2002   11.827   41.740   21.203   39.536   20.165 2.203506 29.26086 
1 1 1    9   37   15 o   35.780   18.130  -3.7304   8.4868   1.6562   12.117  -8.9166   11.890   39.376   20.111   36.226   18.602 3.150425 27.39529 
1 1 1    9   38    0 o   34.813   17.612  -5.7628   7.8015 -10.3543   11.624  -1.9989   10.524   36.496   18.718   38.632   19.638 -2.136055 27.12988 
1 1 1    9   38    1 o   47.407   22.839   11.394   8.3257   19.913   12.548   4.6950   11.128   47.928   23.987   41.543   21.018 6.384785 31.89299 
1 1 1    9   38    2 o   44.221   21.676   8.1048   8.4276   19.992   12.137  -2.9641   11.712   48.396   24.124   38.744   19.787 9.652481 31.20055 
1 1 1    9   38    3 o   37.196   18.694  -1.6869   8.0184  -3.9676   11.232   0.6831   11.450   38.130   19.465   39.847   20.279 -1.717503 28.10914 
1 1 1    9   38    4 o   39.437   19.689   1.9166   8.2177   5.3101   11.345  -1.8292   11.919   41.517   21.029   38.987   19.915 2.529327 28.96292 
1 1 1    9   38    5 o   57.414   26.222   21.198   8.6884   31.489   12.341   11.085   12.234   54.523   26.620   43.503   22.013 11.02042 34.54288 
1 1 1    9   38    6 o   45.386   22.084   10.170   8.2940  -2.4714   12.080   21.443   11.408   38.476   19.686   49.328   24.379 -10.85158 31.33461 
1 1 1    9   38    7 o   40.742   20.408   4.8885   9.1702   9.4470   17.001   3.0183   10.890   41.392   21.293   39.865   20.236 1.527039 29.37495 
1 1 1    9   38    8 o   47.513   23.235   15.726   9.5147   3.8070   16.078   22.150   11.804   39.968   20.569   48.058   23.929 -8.089821 31.55396 
1 1 1    9   38    9 o   36.482   18.420  -1.1892   8.2939 -15.1848   11.928   11.912   11.540   34.306   17.658   42.647   21.556 -8.340519 27.86520 
1 1 1    9   38   10 o   37.633   18.916   1.6156   8.2254   9.2553   11.760  -5.7003   11.509   40.943   20.808   36.083   18.514 4.860249 27.85226 
1 1 1    9   38   11 o   44.070   21.669   12.155   8.6290   6.1802   12.154   18.229   12.253   39.237   20.048   43.535   22.030 -4.297955 29.78660 
1 1 1    9   39    0 o   28.988   14.901 -16.2315   8.1023  -5.9119   11.452 -26.5727   11.464   34.513   17.740   30.305   15.665 4.208263 23.66627 
1 1 1    9   39    1 o   34.489   17.488  -1.2457   7.9815  -2.7460   11.898  -0.0180   10.763   35.431   18.210   35.915   18.391 -0.4839325 25.88107 
1 1 1    9   39    2 o   27.680   14.225 -16.7044   7.3240 -19.4520   10.447 -14.0490   10.271   30.720   15.845   31.787   16.363 -1.067123 22.77700 
1 1 1    9   39    3 o   31.812   16.245  -6.8892   7.8780   7.3025   10.921 -22.2836   11.375   38.199   19.474   30.887   15.954 7.312126 25.17441 
1 1 1    9   39    4 o   47.124   22.873   19.050   8.7482   20.662   12.465   17.484   12.281   41.918   21.316   40.946   20.853 0.9723701 29.81977 
1 1 1    9   39    5 o   34.040   17.455  -3.9461   10.051  -7.5000   18.284  -2.4071   12.032   35.355   18.337   35.089   18.044 0.2664719 25.72626 
1 1 1   10    0    0 f  153.874   13.532   31.400   5.2975   31.400   5.2975   31.400   5.2975  153.874   13.532  153.874   13.532 0.000000 0.000000 
1 1 1   10    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0    2 o  778.857   14.052  787.247   28.328  787.247   28.328  787.247   28.328  778.857   14.052  778.857   14.052 0.000000 0.000000 
1 1 1   10    0    3 o  129.524   13.297   22.427   4.3536   22.427   4.3536   22.427   4.3536  129.524   13.297  129.524   13.297 0.000000 0.000000 
1 1 1   10    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0    5 o  177.763   12.303   41.544   5.6027   41.544   5.6027   41.544   5.6027  177.763   12.303  177.763   12.303 0.000000 0.000000 
1 1 1   10    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0    7 o  942.943   15.693  1154.12   38.305  1154.12   38.305  1154.12   38.305  942.943   15.693  942.943   15.693 0.000000 0.000000 
1 1 1   10    0    8 o  735.334   13.844  701.835   26.347  701.835   26.347  701.835   26.347  735.334   13.844  735.334   13.844 0.000000 0.000000 
1 1 1   10    0    9 o  823.643   14.663  880.603   31.261  880.603   31.261  880.603   31.261  823.643   14.663  823.643   14.663 0.000000 0.000000 
1 1 1   10    0   10 o   78.892   26.478   10.410   4.8309   10.410   4.8309   10.410   4.8309   78.892   26.478   78.892   26.478 0.000000 0.000000 
1 1 1   10    0   11 o  462.631   12.421  278.089   14.861  278.089   14.861  278.089   14.861  462.631   12.421  462.631   12.421 0.000000 0.000000 
1 1 1   10    0   12 o   19.964   14.252  -4.9727   3.3096  -4.9727   3.3096  -4.9727   3.3096   19.964   14.252   19.964   14.252 0.000000 0.000000 
1 1 1   10    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0   14 o  559.035   12.732  405.951   18.415  405.951   18.415  405.951   18.415  559.035   12.732  559.035   12.732 0.000000 0.000000 
1 1 1   10    0   15 o  424.033   12.231  233.778   13.409  233.778   13.409  233.778   13.409  424.033   12.231  424.033   12.231 0.000000 0.000000 
1 1 1   10    0   16 f  483.221   12.467  303.506   15.582  303.506   15.582  303.506   15.582  483.221   12.467  483.221   12.467 0.000000 0.000000 
1 1 1   10    0   17 o  443.978   12.584  256.369   14.445  256.369   14.445  256.369   14.445  443.978   12.584  443.978   12.584 0.000000 0.000000 
1 1 1   10    0   18 o  706.168   13.918  648.199   25.437  648.199   25.437  648.199   25.437  706.168   13.918  706.168   13.918 0.000000 0.000000 
1 1 1   10    0   19 o  864.215   15.284  971.466   34.191  971.466   34.191  971.466   34.191  864.215   15.284  864.215   15.284 0.000000 0.000000 
1 1 1   10    0   20 o  220.809   14.211   64.137   8.0511   64.137   8.0511   64.137   8.0511  220.809   14.211  220.809   14.211 0.000000 0.000000 
1 1 1   10    0   21 o   44.850   26.926   2.7135   5.6261   2.7135   5.6261   2.7135   5.6261   44.850   26.926   44.850   26.926 0.000000 0.000000 
1 1 1   10    0   22 o  129.535   21.861   23.703   6.7077   23.703   6.7077   23.703   6.7077  129.535   21.861  129.535   21.861 0.000000 0.000000 
1 1 1   10    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0   24 o  209.797   15.651   58.396   8.3963   58.396   8.3963   58.396   8.3963  209.797   15.651  209.797   15.651 0.000000 0.000000 
1 1 1   10    0   25 o   46.795   28.619   2.6635   6.6090   2.6635   6.6090   2.6635   6.6090   46.795   28.619   46.795   28.619 0.000000 0.000000 
1 1 1   10    0   26 o   70.506   31.977   9.6758   6.3054   9.6758   6.3054   9.6758   6.3054   70.506   31.977   70.506   31.977 0.000000 0.000000 
1 1 1   10    0   27 o   39.271   25.326   0.2343   5.9742   0.2343   5.9742   0.2343   5.9742   39.271   25.326   39.271   25.326 0.000000 0.000000 
1 1 1   10    0   28 o   55.253   31.094   5.7290   6.7618   5.7290   6.7618   5.7290   6.7618   55.253   31.094   55.253   31.094 0.000000 0.000000 
1 1 1   10    0   29 o   25.451   18.281  -9.4091   5.7930  -9.4091   5.7930  -9.4091   5.7930   25.451   18.281   25.451   18.281 0.000000 0.000000 
1 1 1   10    0   30 o   44.148   27.723   1.8431   6.6151   1.8431   6.6151   1.8431   6.6151   44.148   27.723   44.148   27.723 0.000000 0.000000 
1 1 1   10    0   31 o   68.841   33.857   9.8870   7.2004   9.8870   7.2004   9.8870   7.2004   68.841   33.857   68.841   33.857 0.000000 0.000000 
1 1 1   10    0   32 o   57.194   35.225   5.1600   10.171   5.1600   10.171   5.1600   10.171   57.194   35.225   57.194   35.225 0.000000 0.000000 
1 1 1   10    0   33 o   47.890   32.211  -2.0970   11.393  -2.0970   11.393  -2.0970   11.393   47.890   32.211   47.890   32.211 0.000000 0.000000 
1 1 1   10    0   34 o   54.886   32.361   5.8891   7.8578   5.8891   7.8578   5.8891   7.8578   54.886   32.361   54.886   32.361 0.000000 0.000000 
1 1 1   10    0   35 f   56.587   33.461   6.5230   8.4450   6.5230   8.4450   6.5230   8.4450   56.587   33.461   56.587   33.461 0.000000 0.000000 
1 1 1   10    0   36 o  114.071   43.726   27.500   12.207   27.500   12.207   27.500   12.207  114.071   43.726  114.071   43.726 0.000000 0.000000 
1 1 1   10    0   37 o   50.616   33.288   2.1680   11.063   2.1680   11.063   2.1680   11.063   50.616   33.288   50.616   33.288 0.000000 0.000000 
1 1 1   10    0   38 o   38.401   26.480  -3.6613   8.7814  -3.6613   8.7814  -3.6613   8.7814   38.401   26.480   38.401   26.480 0.000000 0.000000 
1 1 1   10    0   39 o  156.070   30.150   40.367   10.878   40.367   10.878   40.367   10.878  156.070   30.150  156.070   30.150 0.000000 0.000000 
1 1 1   10    0   40 o  258.509   19.782   97.083   13.068   97.083   13.068   97.083   13.068  258.509   19.782  258.509   19.782 0.000000 0.000000 
1 1 1   10    0   41 o  130.001   49.428   44.160   15.651   44.160   15.651   44.160   15.651  130.001   49.428  130.001   49.428 0.000000 0.000000 
1 1 1   10    0   42 f   41.763   28.710  -0.5388   10.137  -0.5388   10.137  -0.5388   10.137   41.763   28.710   41.763   28.710 0.000000 0.000000 
1 1 1   10    0   43 o   43.588   29.595   2.1146   10.070   2.1146   10.070   2.1146   10.070   43.588   29.595   43.588   29.595 0.000000 0.000000 
1 1 1   10    0   44 o   64.213   37.983   16.252   10.887   16.252   10.887   16.252   10.887   64.213   37.983   64.213   37.983 0.000000 0.000000 
1 1 1   10    1    0 o  247.045   8.2590   79.097   5.2851   85.650   7.5372   72.758   7.4129  257.000   11.322  236.539   12.139 20.46140 16.59989 
1 1 1   10    1    1 o  726.425   9.6234  684.054   18.108  694.034   25.825  674.402   25.398  731.376   13.632  720.961   13.600 10.41534 19.25555 
1 1 1   10    1    2 o  725.901   9.6303  683.065   18.108  711.504   26.304  657.447   24.965  740.519   13.713  711.849   13.539 28.67041 19.27078 
1 1 1   10    1    3 o  430.511   11.839  240.365   13.203  212.400   18.042  272.600   19.371  404.390   17.224  458.194   16.321 -53.80353 23.72879 
1 1 1   10    1    4 o  837.907   14.768  911.208   32.052  948.200   46.714  878.300   44.060  853.817   21.122  821.813   20.698 32.00403 29.57243 
1 1 1   10    1    5 f  1344.59   19.944  2350.49   69.464   0.0000   0.0000  2350.49   69.464  ?   ?   1344.59   19.944 0.000000 19.94438 
1 1 1   10    1    6 o  1283.03   13.605  2135.85   45.215  2113.92   63.261  2158.75   64.649  1275.30   19.150  1288.70   19.367 -13.40125 27.23621 
1 1 1   10    1    7 o  870.864   10.600  983.339   23.911  987.810   33.762  978.841   33.868  872.364   14.941  868.379   15.057 3.984375 21.21193 
1 1 1   10    1    8 o  445.228   8.4390  256.921   9.7325  262.383   13.720  251.390   13.808  449.781   11.776  440.240   12.108 9.540314 16.89073 
1 1 1   10    1    9 o  168.798   9.6995   37.061   4.2231   40.785   5.8558   33.025   6.0963  176.834   12.872  158.792   14.999 18.04254 19.76541 
1 1 1   10    1   10 o  706.551   9.6187  647.221   17.604  642.300   34.662  648.931   20.436  702.811   19.040  707.359   11.153 -4.548462 22.06600 
1 1 1   10    1   11 o  344.499   9.3831  153.865   8.3731  149.800   14.493  155.902   10.258  339.555   16.478  346.686   11.423 -7.130920 20.05015 
1 1 1   10    1   12 o  382.083   8.6655  189.251   8.5763  186.000   16.442  190.465   10.052  378.308   16.779  383.243   10.126 -4.935272 19.59759 
1 1 1   10    1   13 o  510.644   12.376  338.397   16.370  338.600   23.310  338.200   22.995  510.271   17.636  509.996   17.407 0.2748413 24.77945 
1 1 1   10    1   14 o  534.972   10.339  371.220   14.327  381.862   17.715  351.100   24.358  542.388   12.609  519.471   18.102 22.91772 22.06068 
1 1 1   10    1   15 o  552.484   9.0255  395.815   12.916  403.661   18.436  388.251   18.102  557.591   12.764  546.843   12.779 10.74829 18.06204 
1 1 1   10    1   16 o  498.830   8.9204  322.693   11.526  317.565   16.226  327.917   16.376  494.524   12.667  502.528   12.581 -8.003876 17.85291 
1 1 1   10    1   17 o  248.630   9.4794   80.191   6.1050   81.977   8.7955   78.529   8.4806  250.808   13.589  245.484   13.387 5.324493 19.07577 
1 1 1   10    1   18 o  575.326   9.2476  429.416   13.781  420.350   19.323  438.800   19.661  568.738   13.116  581.094   13.062 -12.35565 18.51087 
1 1 1   10    1   19 o  406.760   8.9249  214.662   9.4036  212.578   13.323  216.730   13.274  404.418   12.718  408.368   12.549 -3.950409 17.86705 
1 1 1   10    1   20 o  374.211   9.0278  181.733   8.7508  179.502   12.532  183.856   12.225  371.501   13.023  376.036   12.551 -4.535004 18.08625 
1 1 1   10    1   21 o  310.279   9.4416  125.005   7.5884  124.136   10.816  125.847   10.649  308.787   13.523  310.944   13.221 -2.156799 18.91202 
1 1 1   10    1   22 o  272.529   9.7970   96.501   6.9160   99.210   9.9018   93.921   9.6641  275.536   13.918  268.064   13.966 7.472198 19.71743 
1 1 1   10    1   23 f   42.719   20.887 -14.3800   7.6793   0.0000   0.0000 -14.3800   7.6793  ?   ?    42.719   20.887 0.000000 20.88705 
1 1 1   10    1   24 o  201.053   11.280   52.818   5.8509   59.926   8.3622   46.001   8.1893  213.461   15.223  186.467   17.147 26.99348 22.92968 
1 1 1   10    1   25 o  110.749   18.095   16.552   5.0117   14.561   7.2835   18.341   6.9068  102.278   27.070  115.311   23.908 -13.03332 36.11602 
1 1 1   10    1   26 o   72.191   21.863   7.0000   4.4400   8.0674   6.3673   5.9898   6.1946   79.146   26.445   71.994   25.962 7.152710 37.05888 
1 1 1   10    1   27 o  125.413   15.689   20.997   4.9851   25.565   7.2525   16.906   6.8635  137.101   21.098  110.091   24.678 27.00930 32.46781 
1 1 1   10    1   28 o  250.899   10.453   82.164   6.7938   88.288   9.8642   76.638   9.3705  258.684   14.782  240.861   15.095 17.82341 21.12804 
1 1 1   10    1   29 o  130.674   15.948   22.875   5.2862   18.364   7.8460   26.625   7.1536  113.690   27.037  139.781   20.355 -26.09012 33.84295 
1 1 1   10    1   30 o  219.462   11.606   63.304   6.5740   61.790   9.1621   64.911   9.4382  215.195   16.564  220.561   16.643 -5.366302 23.48060 
1 1 1   10    1   31 o   47.706   20.719  -0.4056   4.7586   10.641   6.9117 -10.3607   6.5613   87.181   27.435   40.969   19.867 46.21168 33.87349 
1 1 1   10    1   32 o   58.088   23.883   2.0277   5.7761  -1.0565   7.5963   6.2550   8.8933   58.457   25.762   77.613   30.406 -19.15598 39.85217 
1 1 1   10    1   33 o   81.539   27.631   9.1405   6.9522   9.8249   8.5831   7.8350   11.855   85.567   30.592   86.424   34.697 -0.8570251 46.25743 
1 1 1   10    1   34 o  180.794   14.035   43.738   6.5214   34.729   9.0862   53.309   9.3656  156.733   23.071  197.455   18.528 -40.72209 29.58956 
1 1 1   10    1   35 o   89.128   25.217   11.632   6.0832   12.098   8.7566   11.198   8.4571   91.069   31.009   88.320   30.462 2.748428 43.46856 
1 1 1   10    1   36 o  141.179   21.118   28.186   7.4856   18.160   11.946   34.668   9.6052  106.697   36.219  154.519   24.839 -47.82217 43.91847 
1 1 1   10    1   37 o   69.998   26.873   5.8409   6.8407   11.320   8.6050  -3.5680   11.276   87.466   30.695   64.957   29.745 22.50902 42.74308 
1 1 1   10    1   38 o  155.835   18.195   33.958   7.2063   25.457   10.025   43.048   10.366  126.154   30.919  171.301   24.022 -45.14734 39.15429 
1 1 1   10    1   39 o   86.145   27.558   11.522   6.9512   20.871   10.007   2.8064   9.6629  111.579   32.587   68.617   29.662 42.96262 44.06563 
1 1 1   10    1   40 o  165.023   18.449   38.663   7.7512   29.426   11.043   47.631   10.882  131.909   32.526  178.042   24.225 -46.13298 40.55585 
1 1 1   10    1   41 o  123.739   39.791   30.440   14.478   0.0000   0.0000   30.440   14.478  ?   ?   123.739   39.791 0.000000 39.79091 
1 1 1   10    1   42 o   64.245   27.803   2.9194   8.5083   12.161   10.518 -14.5800   14.473   85.344   33.168   59.462   28.986 25.88172 44.04920 
1 1 1   10    1   43 o   81.903   28.418   11.227   7.3656   0.8366   10.555   21.088   10.283   64.537   29.252  106.050   33.476 -41.51301 44.45593 
1 1 1   10    1   44 o   58.618   25.617   2.1805   7.3715   3.3463   10.649   1.1081   10.214   66.991   29.953   63.096   28.668 3.894768 41.46085 
1 1 1   10    2    0 o  556.159   8.8222  400.909   12.709  418.110   18.323  384.959   17.644  567.751   12.459  544.775   12.504 22.97534 17.65113 
1 1 1   10    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    2    2 o  861.763   15.055  963.929   33.606  943.100   46.956  985.800   48.117  851.474   21.290  870.528   21.339 -19.05365 30.14301 
1 1 1   10    2    3 o  678.901   13.542  597.996   23.815  598.700   33.782  597.300   33.577  678.695   19.216  677.913   19.121 0.7822266 27.10840 
1 1 1   10    2    4 o  496.099   12.600  319.242   16.191  322.900   23.085  315.700   22.715  498.548   17.876  492.966   17.789 5.582184 25.21908 
1 1 1   10    2    5 o  709.719   13.946  653.596   25.637  645.200   36.038  662.200   36.480  704.481   19.749  713.703   19.733 -9.222839 27.91758 
1 1 1   10    2    6 o  121.718   17.727   19.648   5.4249   0.0000   0.0000   19.648   5.4249  ?   ?   121.718   17.727 0.000000 17.72684 
1 1 1   10    2    7 o  250.282   11.220   81.231   7.2737   81.231   7.2737   0.0000   0.0000  250.282   11.220  ?   ?  0.000000 11.21953 
1 1 1   10    2    8 o  484.911   8.5799  304.771   10.777  298.141   14.888  312.070   15.620  479.434   11.988  490.487   12.294 -11.05283 17.17187 
1 1 1   10    2    9 o  520.825   8.6489  351.602   11.668  342.900   22.778  354.698   13.586  513.739   17.117  523.040   10.028 -9.301453 19.83776 
1 1 1   10    2   10 f  194.351   9.1836   48.967   4.6233   40.470   8.7047   52.306   5.4565  175.327   19.497  200.561   10.540 -25.23419 22.16388 
1 1 1   10    2   11 o  333.535   8.5719  144.205   7.4058  156.500   14.641  139.977   8.5851  347.071   16.286  328.555   10.088 18.51572 19.15667 
1 1 1   10    2   12 f  231.475   12.468   69.731   7.4482   60.780   10.835   77.750   10.256  215.230   19.651  244.068   16.316 -28.83797 25.54186 
1 1 1   10    2   13 o  318.322   8.9783  131.376   7.4031  106.900   13.954  140.964   8.7335  285.997   18.943  329.681   10.227 -43.68375 21.52737 
1 1 1   10    2   14 o  380.715   12.121  188.116   11.953  186.000   16.590  190.400   17.238  378.193   16.935  382.598   17.394 -4.404541 24.27624 
1 1 1   10    2   15 o  390.830   8.7306  198.062   8.8386  184.264   12.346  212.569   12.659  376.729   12.652  404.675   12.076 -27.94553 17.49026 
1 1 1   10    2   16 o  145.245   12.488   27.595   4.6528   23.778   6.6876   31.175   6.4776  133.620   19.931  153.930   16.503 -20.30934 25.87695 
1 1 1   10    2   17 o  268.043   9.3010   93.198   6.4578   94.222   9.2661   92.232   9.0048  269.292   13.284  266.447   13.047 2.844421 18.61951 
1 1 1   10    2   18 o  443.014   8.9394  254.594   10.258  252.356   14.600  256.776   14.416  440.695   12.790  444.569   12.519 -3.873505 17.89710 
1 1 1   10    2   19 o  578.379   9.3345  434.098   13.985  432.230   19.861  435.935   19.695  576.559   13.299  579.053   13.130 -2.494202 18.68856 
1 1 1   10    2   20 o  450.255   9.1046  263.115   10.619  252.343   14.987  273.974   15.048  440.444   13.136  459.005   12.656 -18.56082 18.24087 
1 1 1   10    2   21 o  288.685   9.6756  108.230   7.2353  105.056   10.583  111.015   9.9139  283.587   14.455  292.046   13.105 -8.459808 19.51156 
1 1 1   10    2   22 o  431.122   10.735  241.665   11.988  236.155   14.819  252.100   20.392  425.709   13.439  438.803   17.941 -13.09384 22.41618 
1 1 1   10    2   23 o  332.194   13.259  143.921   11.410   0.0000   0.0000  143.921   11.410  ?   ?   332.194   13.259 0.000000 13.25949 
1 1 1   10    2   24 o   40.463   18.941  -4.8594   4.9648  -7.2591   5.8577   1.2620   9.3556   41.717   19.841   70.796   29.848 -29.07909 35.84067 
1 1 1   10    2   25 o   80.911   21.628   8.9882   4.6200   15.446   6.5323   2.5252   6.5351  105.557   24.382   63.366   25.647 42.19149 35.38754 
1 1 1   10    2   26 o   98.815   19.719   13.367   4.8704   5.2734   6.8596   21.595   6.9163   71.637   27.050  125.650   22.054 -54.01324 34.90112 
1 1 1   10    2   27 o  390.388   13.306  199.650   13.455   0.0000   0.0000  199.650   13.455  ?   ?   390.388   13.306 0.000000 13.30559 
1 1 1   10    2   28 o  290.772   10.023  110.295   7.5493  102.606   10.786  117.677   10.570  278.838   14.989  299.436   13.627 -20.59796 20.25752 
1 1 1   10    2   29 o   87.180   21.443   10.597   4.8088   14.777   6.8748   6.5915   6.7287  102.166   25.933   74.581   27.033 27.58521 37.46083 
1 1 1   10    2   30 o   89.014   21.295   11.089   4.8442   10.428   6.9684   11.707   6.7389   86.865   27.571   91.091   26.781 -4.225609 38.43710 
1 1 1   10    2   31 o  231.148   11.430   70.135   6.8434   68.748   9.8827   71.413   9.4856  226.463   16.971  231.293   15.930 -4.829391 23.27567 
1 1 1   10    2   32 o   98.332   28.737   14.097   7.7797   8.4230   12.625   17.570   9.8780   89.540   35.856  108.520   32.552 -18.97963 48.42831 
1 1 1   10    2   33 o  118.095   26.867   20.398   8.0334   22.150   10.578   18.010   12.348  120.389   32.958  108.893   36.824 11.49590 49.41890 
1 1 1   10    2   34 o   74.579   25.052   7.6069   5.7148   3.0824   8.1488   11.986   8.0166   67.840   28.174   90.779   29.643 -22.93888 40.89625 
1 1 1   10    2   35 o  148.487   19.563   30.643   7.3412   41.090   12.122   24.593   9.2253  165.999   29.261  128.049   28.542 37.95052 40.87623 
1 1 1   10    2   36 o  143.142   18.775   28.489   6.7934   33.037   9.8226   24.319   9.4057  149.773   26.277  126.175   29.334 23.59866 39.38261 
1 1 1   10    2   37 o   95.356   27.698   13.887   7.2473   6.6954   9.0723   26.570   12.048   76.468   30.471  126.629   35.370 -50.16141 46.68523 
1 1 1   10    2   38 o  201.370   17.207   56.093   8.8891   44.567   10.944   78.440   15.238  173.348   25.103  229.438   26.105 -56.08910 36.21698 
1 1 1   10    2   39 o   61.386   25.263   3.2869   6.4701   1.2082   9.5324   5.0628   8.8104   65.569   28.880   70.927   29.362 -5.357475 41.18474 
1 1 1   10    2   40 o   63.324   25.811   4.0553   6.6734   5.6459   9.5578   2.5421   9.3219   72.744   30.387   66.613   28.965 6.130630 41.97989 
1 1 1   10    2   41 o  103.327   35.167   19.509   11.263  -9.9470   18.670   36.360   14.121   71.217   34.282  138.602   38.135 -67.38469 51.27922 
1 1 1   10    2   42 o   64.291   27.967   2.7459   8.6981 -10.7383   10.754   28.250   14.790   53.199   25.710  115.842   40.266 -62.64329 47.77393 
1 1 1   10    2   43 o   48.442   22.748  -4.3869   7.2586  -9.9726   10.323   1.0753   10.208   52.073   25.172   64.078   28.931 -12.00531 38.34840 
1 1 1   10    2   44 f  108.937   27.235   20.229   7.6644   29.926   11.099   11.391   10.596  125.225   33.544   80.425   32.621 44.79920 46.79055 
1 1 1   10    3    0 o  374.052   8.3168  181.333   8.0582  193.762   11.636  169.881   11.170  386.534   11.622  361.919   11.915 24.61554 16.64432 
1 1 1   10    3    1 o  591.818   13.162  454.390   20.178  485.500   29.724  427.800   27.479  611.210   18.774  573.771   18.489 37.43909 26.34998 
1 1 1   10    3    2 o  247.097   14.058   79.485   8.9606   75.630   12.655   83.360   12.689  240.292   20.529  252.481   19.555 -12.18919 28.35198 
1 1 1   10    3    3 o  489.428   12.878  310.740   16.327  301.500   23.076  320.000   23.102  481.686   18.495  496.290   17.971 -14.60391 25.78780 
1 1 1   10    3    4 o  378.333   13.098  185.692   12.836  182.900   18.127  188.500   18.179  375.157   18.654  380.872   18.426 -5.715515 26.22009 
1 1 1   10    3    5 o  390.089   13.208  197.419   13.346  176.800   18.326  220.700   19.473  368.302   19.277  412.129   18.241 -43.82751 26.53923 
1 1 1   10    3    6 o  626.151   13.587  508.716   22.037  519.600   31.670  498.500   30.683  632.219   19.339  619.274   19.128 12.94476 27.20067 
1 1 1   10    3    7 o  442.171   8.3893  253.404   9.6087  251.516   13.139  255.574   14.088  440.382   11.518  443.881   12.253 -3.498749 16.81670 
1 1 1   10    3    8 o  757.925   9.9061  744.771   19.448  741.900   38.381  745.762   22.559  755.324   19.617  758.295   11.485 -2.971436 22.73173 
1 1 1   10    3    9 o  651.192   9.3116  549.732   15.707  551.700   31.060  549.056   18.206  651.458   18.406  650.685   10.802 0.7737427 21.34181 
1 1 1   10    3   10 o  389.587   8.4638  196.737   8.5412  219.400   17.187  189.305   9.8426  410.970   16.145  382.098   9.9446 28.87234 18.96215 
1 1 1   10    3   11 o  775.332   14.118  780.439   28.354  814.400   41.461  750.600   38.863  791.023   20.235  759.494   19.754 31.52863 28.27865 
1 1 1   10    3   12 o   29.744   14.165  -3.9316   3.0051 -13.3900   6.3002  -1.1458   3.4191   37.427   18.424   38.898   17.206 -1.471436 25.20884 
1 1 1   10    3   13 o  872.171   10.799  986.757   24.397  972.700   47.926  991.674   28.345  863.937   21.416  874.104   12.519 -10.16675 24.80640 
1 1 1   10    3   14 o  365.522   13.686  173.511   12.959   0.0000   0.0000  173.511   12.959  ?   ?   365.522   13.686 0.000000 13.68645 
1 1 1   10    3   15 o  367.385   9.2512  175.043   8.8038  186.700   17.464  171.071   10.194  378.738   17.801  363.103   10.838 15.63498 20.84119 
1 1 1   10    3   16 o  580.273   9.2084  436.728   13.841  437.726   19.690  435.753   19.460  580.510   13.095  579.216   12.971 1.294189 18.43097 
1 1 1   10    3   17 o  602.204   9.4040  470.457   14.669  459.994   20.649  481.116   20.843  594.969   13.399  608.502   13.224 -13.53284 18.82512 
1 1 1   10    3   18 o  692.641   9.8409  622.582   17.656  633.998   25.341  611.812   24.614  698.255   14.011  685.959   13.852 12.29541 19.70266 
1 1 1   10    3   19 o  424.749   9.0713  234.100   9.9805  241.771   14.494  227.183   13.764  431.227   12.975  418.047   12.711 13.18005 18.16362 
1 1 1   10    3   20 o  401.581   9.1664  209.321   9.5351  211.343   13.573  207.350   13.398  403.074   13.000  399.254   12.955 3.819763 18.35301 
1 1 1   10    3   21 o  327.285   9.5151  139.106   8.0666  138.964   11.602  139.239   11.223  326.643   13.712  327.027   13.249 -0.3840027 19.06727 
1 1 1   10    3   22 o  157.559   18.875   32.998   7.5501   45.200   13.406   27.330   9.1370  181.974   29.446  141.546   25.874 40.42853 39.19849 
1 1 1   10    3   23 o  280.376   10.279  102.252   7.4650   90.257   11.117  112.101   10.074  262.039   16.463  293.149   13.267 -31.11020 21.14282 
1 1 1   10    3   24 o  239.048   12.657   74.773   7.8092   66.911   9.5088   91.060   13.687  225.294   16.407  261.873   20.337 -36.57916 26.12962 
1 1 1   10    3   25 o  241.911   10.694   76.259   6.7013   71.117   9.6035   81.140   9.3556  232.191   16.066  248.463   14.601 -16.27171 21.70946 
1 1 1   10    3   26 o  104.575   18.984   14.890   4.9529   11.518   7.1899   17.935   6.8328   91.674   27.834  113.751   23.947 -22.07716 36.71741 
1 1 1   10    3   27 o  204.727   12.048   54.988   6.3610   53.535   9.1934   56.322   8.8103  200.457   17.894  206.023   16.652 -5.566376 24.44282 
1 1 1   10    3   28 o  388.496   9.6260  196.804   9.6869  194.177   13.868  199.307   13.537  384.479   13.925  389.724   13.409 -5.244659 19.33157 
1 1 1   10    3   29 o  209.197   11.782   57.502   6.3584   62.095   9.1639   53.237   8.8298  215.970   16.506  199.630   17.245 16.33919 23.87106 
1 1 1   10    3   30 o  148.626   14.916   29.473   5.6649   28.392   8.0889   30.512   7.9360  143.234   22.547  149.141   21.134 -5.907944 30.90337 
1 1 1   10    3   31 o   76.900   23.433   8.1999   5.0895   18.283   7.5046  -0.3868   6.9254  112.770   26.192   57.304   24.941 55.46653 36.16772 
1 1 1   10    3   32 o   38.825   18.804  -9.0095   5.8315 -19.9200   11.764  -5.4550   6.7146   52.601   25.747   47.598   22.198 5.002117 33.99474 
1 1 1   10    3   33 o  229.537   17.079   71.190   10.082   66.980   13.610   76.310   15.008  217.924   24.537  232.101   25.377 -14.17699 35.29988 
1 1 1   10    3   34 o   57.124   24.070   1.3588   6.0791   10.240   10.285  -3.4104   7.5365   88.214   33.162   53.773   24.506 34.44030 41.23416 
1 1 1   10    3   35 o   87.453   27.159   11.215   6.7983   10.730   10.640   11.549   8.8377   89.190   33.686   89.448   31.124 -0.2588654 45.86289 
1 1 1   10    3   36 o   57.299   23.830   1.9809   5.8414  -8.9167   8.2237   13.078   8.2987   48.848   23.310   93.005   30.149 -44.15688 38.10895 
1 1 1   10    3   37 o  151.816   18.461   32.141   7.1105   22.174   9.9539   42.528   10.161  117.754   31.860  171.379   23.508 -53.62568 39.59448 
1 1 1   10    3   38 o  208.950   16.839   60.265   9.0366   54.290   11.155   71.670   15.413  193.549   22.680  216.844   28.101 -23.29546 36.11145 
1 1 1   10    3   39 o   74.758   30.728   6.3182   9.5572   6.3182   9.5572   0.0000   0.0000   74.758   30.728  ?   ?  0.000000 30.72759 
1 1 1   10    3   40 o  100.965   27.295   16.322   7.3094   19.733   10.521   13.138   10.163  105.985   33.903   89.389   33.090 16.59561 47.37433 
1 1 1   10    3   41 o  169.818   21.968   42.820   9.4366   33.200   17.408   46.823   11.230  122.768   43.602  173.774   25.725 -51.00607 50.62549 
1 1 1   10    3   42 o   75.451   29.885   8.3184   8.6780   8.6133   10.600   7.7190   15.113   77.935   32.230   81.014   35.987 -3.078453 48.31022 
1 1 1   10    3   43 o   78.088   28.493   10.014   7.4931   2.2422   10.796   17.237   10.408   66.697   29.965   95.314   33.730 -28.61681 45.11797 
1 1 1   10    3   44 o   69.731   27.703   7.3132   7.4780   9.4891   11.019   5.4557   10.181   76.816   32.389   69.220   30.182 7.595474 44.27224 
1 1 1   10    4    0 o  1073.99   12.094  1496.06   33.646  1523.00   69.151  1487.70   38.513  1081.16   24.692  1070.74   13.886 10.41345 28.32856 
1 1 1   10    4    1 o  641.759   9.3811  533.876   15.595  530.300   32.365  534.957   17.797  638.682   19.563  642.325   10.696 -3.642883 22.29647 
1 1 1   10    4    2 o  488.897   13.214  310.098   16.734  327.800   24.328  294.200   23.055  502.226   18.700  475.790   18.706 26.43573 26.45061 
1 1 1   10    4    3 o  886.059   15.647  1019.28   35.913  1040.00   51.736 1000.000   49.892  893.905   22.343  876.617   21.972 17.28839 31.33686 
1 1 1   10    4    4 o  356.094   13.695  164.534   12.632  170.500   18.210  159.000   17.539  361.626   19.512  349.187   19.468 12.43991 27.56332 
1 1 1   10    4    5 o  104.413   27.471   14.740   7.5300   19.950   10.854   9.9050   10.456  121.551   33.429   94.297   33.760 27.25423 47.51006 
1 1 1   10    4    6 o  161.725   18.604   34.439   7.6514   32.660   10.786   36.240   10.856  155.909   27.724  164.686   26.335 -8.776993 38.23796 
1 1 1   10    4    7 o  298.457   8.4581  115.454   6.5389  117.825   9.4651  113.289   9.0441  301.386   12.124  295.540   11.814 5.846252 16.92822 
1 1 1   10    4    8 o  326.917   8.2908  138.522   7.0207  142.900   13.812  136.997   8.1525  331.702   16.076  325.068   9.6820 6.633636 18.76605 
1 1 1   10    4    9 o  585.842   12.498  445.294   18.966  408.400   26.022  487.100   27.700  560.526   17.922  612.211   17.467 -51.68536 25.02631 
1 1 1   10    4   10 o  411.870   9.6266  219.946   10.270  218.700   17.886  220.559   12.544  410.240   16.832  412.333   11.745 -2.093048 20.52462 
1 1 1   10    4   11 o  981.621   11.479  1250.03   29.187  1264.00   58.476  1245.39   33.683  984.687   22.926  979.529   13.275 5.157898 26.49219 
1 1 1   10    4   12 o  728.489   9.9325  688.226   18.743  673.000   36.645  693.620   21.812  719.023   19.675  731.175   11.516 -12.15265 22.79799 
1 1 1   10    4   13 o  422.571   8.9127  231.527   9.7557  238.900   19.367  229.020   11.293  428.573   17.446  420.194   10.376 8.379456 20.29778 
1 1 1   10    4   14 o   91.816   27.471   11.161   7.0414   0.0000   0.0000   11.161   7.0414  ?   ?    91.816   27.471 0.000000 27.47072 
1 1 1   10    4   15 f  612.750   9.6151  487.007   15.261  471.100   30.051  492.535   17.716  601.302   19.294  616.064   11.101 -14.76263 22.25973 
1 1 1   10    4   16 o  947.368   11.493  1165.10   28.202  1189.00   56.758  1157.27   32.498  953.734   22.975  943.809   13.293 9.925293 26.54330 
1 1 1   10    4   17 o  136.305   13.200   24.367   4.6022   27.800   6.7601   21.402   6.2830  144.896   18.428  126.590   19.810 18.30552 27.05645 
1 1 1   10    4   18 o   78.086   20.620   8.2532   4.2326   14.953   6.5607   3.4768   5.5396  104.715   24.605   62.903   24.174 41.81182 34.49328 
1 1 1   10    4   19 o  397.116   9.0916  204.648   9.3521  201.563   13.306  207.660   13.147  393.703   13.048  399.655   12.700 -5.951874 18.20773 
1 1 1   10    4   20 f   99.163   18.878   13.276   4.6720   4.5150   6.6514   21.809   6.5640   69.662   26.556  127.478   20.580 -57.81591 33.59684 
1 1 1   10    4   21 o  428.001   10.678  238.093   11.838  245.886   14.849  224.500   19.611  434.546   13.192  414.195   18.279 20.35092 22.54238 
1 1 1   10    4   22 o  466.109   10.911  282.601   13.174  283.600   23.853  282.162   15.802  464.634   19.819  465.302   13.111 -0.6681213 23.76336 
1 1 1   10    4   23 o   91.467   20.708   11.458   4.7921   13.605   6.9757   9.5390   6.5945   99.292   26.591   84.918   26.808 14.37350 37.75866 
1 1 1   10    4   24 o   51.152   22.173  -0.6103   5.4296   2.8682   6.6973  -7.2810   9.2744   64.907   26.072   57.024   26.421 7.883480 37.11855 
1 1 1   10    4   25 o  258.622   10.644   87.171   7.1306   81.516   10.388   92.210   9.8060  248.566   16.222  264.946   14.342 -16.37965 21.65286 
1 1 1   10    4   26 o  371.144   9.6041  179.415   9.2332  180.682   13.227  178.211   12.894  371.355   13.751  368.884   13.495 2.470398 19.26635 
1 1 1   10    4   27 o  177.303   12.922   41.386   5.8938   43.307   8.6188   39.698   8.0775  179.820   18.781  172.204   18.393 7.615891 26.28748 
1 1 1   10    4   28 o  126.245   16.321   21.382   5.2122   33.463   7.8813   11.990   6.9489  157.317   19.778   92.631   27.184 64.68617 33.61741 
1 1 1   10    4   29 o  204.554   11.755   54.999   6.2022   49.030   8.9770   60.450   8.5789  191.061   18.365  213.315   15.635 -22.25313 24.11907 
1 1 1   10    4   30 o  122.979   17.129   20.486   5.3084   23.409   7.7879   17.950   7.2549  129.095   24.178  112.265   25.526 16.82960 35.15861 
1 1 1   10    4   31 o  285.576   12.242  107.340   9.0560  100.324   11.199  120.600   15.395  274.197   15.834  298.137   20.051 -23.93985 25.54959 
1 1 1   10    4   32 o   77.621   24.371   8.3962   5.4575   12.329   7.9440   4.8812   7.5104   92.542   29.445   70.732   27.870 21.80989 40.54308 
1 1 1   10    4   33 o  148.490   23.783   31.297   8.8389   34.590   11.864   27.190   13.251  151.798   31.216  130.711   37.300 21.08665 48.63855 
1 1 1   10    4   34 f   74.569   26.052   7.4373   6.1952   20.120   10.666   0.9807   7.6105  113.639   33.767   61.721   26.500 51.91822 42.92421 
1 1 1   10    4   35 o  245.098   12.358   79.871   7.8209   72.601   11.188   86.819   10.937  229.654   18.977  252.841   16.795 -23.18703 25.34183 
1 1 1   10    4   36 o   90.454   25.044   12.148   6.0682   14.664   8.7273   9.7933   8.4431   97.543   30.845   83.570   30.283 13.97264 43.22574 
1 1 1   10    4   37 o  217.820   13.618   63.875   7.6451   75.176   11.242   54.153   10.427  232.465   18.832  195.538   20.911 36.92728 28.14097 
1 1 1   10    4   38 o  196.525   17.778   53.794   8.9523   42.834   10.780   78.150   16.069  169.323   25.359  226.252   28.019 -56.92885 37.79051 
1 1 1   10    4   39 o  246.519   15.573   83.585   9.8930   93.375   12.436   66.710   16.327  257.247   18.793  202.217   32.254 55.02937 37.32921 
1 1 1   10    4   40 o  167.609   21.116   41.070   8.9642   50.226   11.387   26.150   14.536  181.786   24.832  115.148   39.924 66.63867 47.01707 
1 1 1   10    4   41 o   87.349   30.866   12.750   8.7130   26.340   18.156   8.6835   9.9314  109.159   43.229   78.206   31.630 30.95334 53.56528 
1 1 1   10    4   42 o  184.752   21.199   50.775   9.9614   44.606   12.126   63.580   17.470  163.577   29.712  183.362   38.029 -19.78459 48.26035 
1 1 1   10    4   43 o   64.471   26.636   4.8759   7.2296   16.027   10.584  -4.8767   9.8983   91.836   33.810   55.678   26.276 36.15741 42.82010 
1 1 1   10    4   44 o   75.853   30.625   9.5991   9.2923  -7.1210   16.639   17.177   11.202   65.586   31.765   91.565   34.569 -25.97894 46.94680 
1 1 1   10    5    0 o  319.997   11.262  132.789   9.3350   0.0000   0.0000  132.789   9.3350  ?   ?   319.997   11.262 0.000000 11.26203 
1 1 1   10    5    1 o  380.730   12.375  188.027   12.204   0.0000   0.0000  188.027   12.204  ?   ?   380.730   12.375 0.000000 12.37459 
1 1 1   10    5    2 o  473.809   18.925  291.800   23.227   0.0000   0.0000  291.800   23.227  ?   ?   473.809   18.925 0.000000 18.92519 
1 1 1   10    5    3 o  129.417   25.413   22.583   8.2153   15.920   12.153   28.190   11.148  112.051   36.493  144.151   30.792 -32.09975 47.74862 
1 1 1   10    5    4 o  387.018   18.941  194.700   18.988   0.0000   0.0000  194.700   18.988  ?   ?   387.018   18.941 0.000000 18.94073 
1 1 1   10    5    5 o  542.175   18.764  382.100   26.352   0.0000   0.0000  382.100   26.352  ?   ?   542.175   18.764 0.000000 18.76361 
1 1 1   10    5    6 o  725.594   13.511  683.196   25.395  669.700   35.649  697.100   36.184  717.690   19.176  732.239   19.077 -14.54901 27.04941 
1 1 1   10    5    7 o  245.322   10.880   78.046   6.9135   91.380   10.502   67.850   9.1841  264.838   15.376  228.047   15.642 36.79126 21.93357 
1 1 1   10    5    8 o  739.195   11.391  708.718   21.811  708.999   27.081  708.200   36.799  739.048   14.146  737.923   19.252 1.124817 23.89030 
1 1 1   10    5    9 o  565.561   8.9999  414.661   13.185  407.800   25.930  417.053   15.312  560.079   17.873  567.098   10.423 -7.019043 20.69080 
1 1 1   10    5   10 o  321.434   17.374  134.700   14.412  134.700   14.412   0.0000   0.0000  321.434   17.374  ?   ?  0.000000 17.37378 
1 1 1   10    5   11 o  482.981   8.9057  302.431   11.142  311.900   22.230  299.255   12.875  489.762   17.523  480.352   10.348 9.410431 20.35024 
1 1 1   10    5   12 o  791.688   10.332  812.948   21.187  783.700   41.122  823.517   24.721  775.661   20.467  796.617   11.980 -20.95605 23.71525 
1 1 1   10    5   13 o  819.887   10.555  872.035   22.416  870.600   44.397  872.526   25.970  817.258   20.972  819.890   12.228 -2.631470 24.27662 
1 1 1   10    5   14 o   89.209   26.593   10.547   6.6076   0.0000   0.0000   10.547   6.6076  ?   ?    89.209   26.593 0.000000 26.59292 
1 1 1   10    5   15 o  351.635   9.4039  160.381   8.5655  155.300   16.718  162.190   9.9740  344.749   18.792  353.522   10.892 -8.773560 21.72054 
1 1 1   10    5   16 o  128.350   15.814   21.753   5.1463   21.930   10.575   21.699   5.8909  126.525   32.189  127.768   18.324 -1.242462 37.03891 
1 1 1   10    5   17 o  724.766   10.272  681.765   19.285  643.100   37.133  696.046   22.567  701.728   20.429  732.053   11.901 -30.32550 23.64254 
1 1 1   10    5   18 o  678.099   11.348  597.237   19.932  592.900   35.200  599.284   24.183  673.559   20.175  678.806   13.754 -5.246826 24.41706 
1 1 1   10    5   19 o  387.504   9.2002  194.890   9.2347  205.637   13.600  185.696   12.579  397.600   13.205  377.874   12.852 19.72632 18.42666 
1 1 1   10    5   20 o  223.893   10.921   65.144   6.3335   60.092   9.1262   69.838   8.7967  213.935   16.599  231.032   14.777 -17.09744 22.22305 
1 1 1   10    5   21 o  267.089   14.826   93.340   10.217   90.730   15.669   95.270   13.475  261.347   23.393  268.866   19.481 -7.519165 30.44251 
1 1 1   10    5   22 o  478.712   9.3320  297.795   11.572  305.923   16.756  290.385   16.000  484.356   13.356  471.959   13.088 12.39694 18.69911 
1 1 1   10    5   23 o  271.180   11.367   95.792   7.9845   82.680   13.576  102.725   9.8724  249.327   21.223  280.479   13.588 -31.15199 25.20062 
1 1 1   10    5   24 o  235.514   12.856   72.653   7.8135   72.902   9.6138   72.170   13.411  235.230   15.871  232.043   22.598 3.186981 27.61447 
1 1 1   10    5   25 o  110.986   18.570   16.682   5.1501   23.703   7.5537   10.584   7.0401  131.543   23.007   88.506   27.662 43.03748 35.97933 
1 1 1   10    5   26 o  270.853   10.444   95.672   7.3272   99.006   10.795   92.824   9.9776  274.058   15.267  265.549   14.561 8.508850 21.09772 
1 1 1   10    5   27 o  364.306   9.7202  173.029   9.1726  174.068   13.220  172.064   12.737  364.109   14.017  362.158   13.578 1.950531 19.51497 
1 1 1   10    5   28 o  154.796   14.397   31.793   5.7067   27.874   8.4860   35.029   7.7105  141.874   23.944  161.246   18.814 -19.37257 30.45118 
1 1 1   10    5   29 f  130.124   16.893   22.822   5.5597   23.214   8.0058   22.456   7.7269  128.526   24.947  126.534   24.460 1.991501 34.93724 
1 1 1   10    5   30 o  143.017   15.465   27.409   5.6379   28.108   8.2792   26.805   7.6988  141.981   23.322  139.070   22.112 2.910614 32.13779 
1 1 1   10    5   31 o  259.263   16.450   90.021   10.990   91.790   17.368   88.840   14.193  255.187   26.668  254.469   21.741 0.7183838 34.40736 
1 1 1   10    5   32 o  149.913   15.860   30.322   6.0651   24.028   8.8121   35.988   8.3605  128.339   27.344  161.447   20.450 -33.10846 34.14573 
1 1 1   10    5   33 o   58.957   25.920  -0.6330   7.6472  -7.6100   10.367   7.6930   11.325   58.623   27.420   84.693   33.944 -26.06973 43.63540 
1 1 1   10    5   34 o   45.013   20.606  -3.0171   5.4052  -9.9154   7.8145   3.3106   7.4843   46.420   22.303   66.192   27.198 -19.77189 35.17292 
1 1 1   10    5   35 o  199.066   13.971   53.184   7.1586   44.739   10.272   61.161   9.9822  177.377   22.890  210.873   18.461 -33.49602 29.40651 
1 1 1   10    5   36 o   81.431   25.875   9.7093   6.1359  -1.6519   8.7003   20.952   8.6548   59.989   26.930  116.767   28.795 -56.77790 39.42563 
1 1 1   10    5   37 o   98.665   24.867   14.655   6.3529   21.776   9.2160   8.2071   8.7694  117.326   30.159   79.001   30.402 38.32536 42.82376 
1 1 1   10    5   38 o  128.912   22.032   24.302   7.0927   21.424   10.029   27.182   10.032  113.550   32.467  130.186   30.315 -16.63611 44.41940 
1 1 1   10    5   39 o   44.087   21.292  -9.2379   7.3422  -3.6780   9.1714 -19.1600   12.252   57.096   26.391   52.120   25.664 4.976143 36.81166 
1 1 1   10    5   40 o   92.263   33.243   14.542   10.153  -3.9320   15.294   29.100   13.577   70.535   33.091  123.166   38.401 -52.63161 50.69165 
1 1 1   10    5   41 o  200.724   16.123   56.432   8.3122   47.112   11.657   66.073   11.856  172.379   26.994  210.671   22.052 -38.29276 34.85621 
1 1 1   10    5   42 o   61.088   26.912   1.7175   8.2822   0.4914   9.6569   5.1280   16.106   62.424   28.166   78.325   35.746 -15.90014 45.50881 
1 1 1   10    5   43 o   95.696   28.657   15.987   7.6603   10.680   10.786   21.389   10.881   79.960   32.728  104.145   34.561 -24.18528 47.59881 
1 1 1   10    6    0 o  337.883   9.0453  147.985   7.9166  149.300   18.307  147.683   8.7801  338.110   21.006  337.504   10.043 0.6059265 23.28375 
1 1 1   10    6    1 o  186.511   13.660   45.381   6.5533   42.690   13.744   46.173   7.4553  178.190   30.897  187.953   15.450 -9.762680 34.54436 
1 1 1   10    6    2 o  280.372   11.168  101.941   8.1110  106.800   15.995  100.260   9.4107  285.640   21.782  277.983   13.069 7.656799 25.40181 
1 1 1   10    6    3 f  730.934   11.344  692.885   21.478  652.800   37.926  711.810   26.060  708.373   20.669  740.634   13.584 -32.26025 24.73304 
1 1 1   10    6    4 o  415.680   8.6910  223.968   9.3579  196.400   20.398  231.317   10.532  388.034   20.365  422.407   9.6253 -34.37271 22.52483 
1 1 1   10    6    5 o  483.915   8.8218  303.545   11.058  285.214   15.444  322.827   15.840  468.863   12.717  498.853   12.258 -29.98981 17.66286 
1 1 1   10    6    6 o  656.326   9.5223  558.465   16.189  550.603   22.843  566.399   22.946  651.356   13.539  660.646   13.409 -9.289734 19.05516 
1 1 1   10    6    7 o  469.807   8.8384  286.118   10.756  290.180   15.461  282.309   14.973  472.911   12.621  466.468   12.392 6.442810 17.68763 
1 1 1   10    6    8 o  732.470   9.9624  695.680   18.902  718.202   27.386  675.190   26.122  743.780   14.214  721.192   13.983 22.58813 19.93926 
1 1 1   10    6    9 o  523.156   10.357  354.941   14.035  333.400   23.430  366.995   17.527  506.372   17.863  531.786   12.724 -25.41418 21.93135 
1 1 1   10    6   10 o  209.866   9.7679   57.114   5.3100   61.820   11.272   55.772   6.0197  216.967   20.293  207.038   11.267 9.928528 23.21107 
1 1 1   10    6   11 o  396.788   8.8494  204.127   9.0955  209.400   18.201  202.372   10.501  401.258   17.512  395.006   10.263 6.251862 20.29729 
1 1 1   10    6   12 f  363.363   9.0728  171.205   8.5395  172.300   17.066  170.839   9.8631  363.882   18.106  362.902   10.492 0.9797363 20.92636 
1 1 1   10    6   13 o  389.861   9.2095  197.109   9.3003  196.400   18.802  197.338   10.701  388.373   18.690  390.007   10.593 -1.633331 21.48305 
1 1 1   10    6   14 o  336.478   11.387  146.947   9.9249  150.100   16.912  145.290   12.258  338.847   19.349  334.383   14.152 4.464844 23.97175 
1 1 1   10    6   15 o  410.236   9.3983  218.308   9.9869  199.500   19.481  225.012   11.632  391.192   19.226  416.385   10.784 -25.19315 22.04367 
1 1 1   10    6   16 o  301.072   10.063  117.628   7.8480  132.000   16.282  113.278   8.9572  317.426   19.903  295.351   11.708 22.07462 23.09127 
1 1 1   10    6   17 o  132.672   15.651   23.228   5.2750   22.650   11.808   23.373   5.8961  128.447   34.678  132.769   17.576 -4.322357 38.87802 
1 1 1   10    6   18 o  372.129   9.6733  179.749   9.3244  171.100   17.887  182.976   10.927  361.407   19.175  375.311   11.239 -13.90378 22.22638 
1 1 1   10    6   19 o  665.049   10.144  574.398   17.474  564.700   34.051  577.865   20.359  656.826   20.014  666.734   11.789 -9.908325 23.22775 
1 1 1   10    6   20 o  569.843   13.572  422.910   20.033  454.300   30.116  398.000   26.829  588.790   19.747  551.407   18.783 37.38330 27.25341 
1 1 1   10    6   21 o   49.729   20.703   0.7503   4.4155  -0.2994   6.7336   1.5421   5.8484   57.984   24.912   58.472   24.036 -0.4877281 34.61676 
1 1 1   10    6   22 f  422.621   9.3601  232.154   10.247  239.719   14.939  225.433   14.081  428.635   13.455  415.752   13.075 12.88358 18.76153 
1 1 1   10    6   23 o  274.284   11.436   98.038   8.1247  118.300   14.548   88.853   9.7946  299.158   18.870  260.222   14.590 38.93573 23.85235 
1 1 1   10    6   24 o   90.441   28.323   11.030   7.3765   11.030   7.3765   0.0000   0.0000   90.441   28.323  ?   ?  0.000000 28.32349 
1 1 1   10    6   25 o  257.162   10.654   86.236   7.0967   89.944   10.342   82.935   9.7565  261.251   15.349  250.908   15.082 10.34349 21.51890 
1 1 1   10    6   26 o  350.188   9.8170  159.839   8.9050  165.276   13.043  155.090   12.188  354.875   14.189  343.924   13.681 10.95053 19.70998 
1 1 1   10    6   27 o  156.519   14.368   32.464   5.7603   38.962   8.5802   27.133   7.7722  169.962   19.864  140.762   22.040 29.20020 29.67016 
1 1 1   10    6   28 o   67.721   23.267   5.7660   4.9312  -0.0405   7.1560   11.017   6.8049   59.372   25.596   89.027   27.089 -29.65531 37.26901 
1 1 1   10    6   29 o  251.947   10.926   83.110   7.1302   89.779   10.643   77.680   9.6041  259.851   15.889  241.832   15.412 18.01878 22.13549 
1 1 1   10    6   30 o  150.436   17.129   30.551   6.5559   27.089   8.3119   36.250   10.665  138.909   23.966  159.811   26.705 -20.90143 35.88216 
1 1 1   10    6   31 f  180.710   16.677   43.998   7.7183   48.550   14.947   42.343   9.0130  180.448   33.201  175.707   20.168 4.741302 38.84681 
1 1 1   10    6   32 o  130.800   20.226   23.783   6.6318   19.850   11.293   25.854   8.1935  113.570   34.960  134.531   24.411 -20.96101 42.63896 
1 1 1   10    6   33 o  136.281   25.817   26.972   8.7801   26.890   12.196   27.060   12.650  130.541   35.244  130.399   36.180 0.1419983 50.50867 
1 1 1   10    6   34 f  119.055   21.293   20.105   6.3255   24.199   9.3359   16.631   8.6005  126.644   29.074  104.481   30.123 22.16319 41.86509 
1 1 1   10    6   35 o   68.498   25.460   5.7825   6.0288   14.864   9.2252  -0.9871   7.9649   98.307   31.779   58.838   26.132 39.46876 41.14322 
1 1 1   10    6   36 o  192.245   14.616   50.010   7.2236   52.656   10.245   47.393   10.187  193.197   20.800  182.326   22.015 10.87086 30.28682 
1 1 1   10    6   37 o   58.086   24.442   1.9728   6.2541   8.0969   8.7832  -4.3257   8.9073   78.502   30.365   56.252   26.003 22.25036 39.97763 
1 1 1   10    6   38 o  159.988   18.432   36.102   7.4990   41.658   10.791   30.913   10.429  165.787   25.982  139.184   29.823 26.60332 39.55356 
1 1 1   10    6   39 o   73.593   27.859   7.5645   7.2876   10.258   9.9353   4.4278   10.722   82.849   32.226   72.711   31.339 10.13805 44.95159 
1 1 1   10    6   40 o   53.834   25.546  -7.0388   9.6019 -17.5300   14.829   0.5358   12.600   58.887   28.841   69.907   31.793 -11.02044 42.92543 
1 1 1   10    6   41 o   69.613   28.612   5.8579   8.2865   10.730   13.926   3.1873   10.310   84.426   36.037   68.378   30.078 16.04780 46.93969 
1 1 1   10    6   42 o   63.615   27.900   2.6143   8.8126  -0.1362   10.797   8.1030   15.252   63.805   29.177   80.349   35.892 -16.54458 46.25446 
1 1 1   10    6   43 o  186.333   17.976   50.585   8.5686   40.228   12.351   60.196   11.898  147.816   33.083  195.349   24.018 -47.53317 40.88190 
1 1 1   10    7    0 o  395.009   9.1065  202.266   9.3177  206.300   20.786  201.251   10.424  397.720   20.244  393.971   10.214 3.748322 22.67463 
1 1 1   10    7    1 o  814.911   10.530  861.115   22.227  904.100   47.469  849.044   25.155  833.327   21.991  809.034   12.004 24.29285 25.05387 
1 1 1   10    7    2 o  502.761   10.251  327.748   13.350  329.100   25.822  327.254   15.596  503.011   19.818  502.277   11.987 0.7340393 23.16108 
1 1 1   10    7    3 o  245.447   11.743   78.144   7.4660   52.950   14.613   87.043   8.6850  199.218   29.184  259.004   12.945 -59.78587 31.92631 
1 1 1   10    7    4 o  803.287   10.437  836.740   21.717  876.632   31.695  801.435   29.817  821.695   14.891  785.694   14.651 36.00116 20.88988 
1 1 1   10    7    5 o  282.739   9.1087  103.634   6.6710   85.077   9.3731  122.684   9.4965  255.611   14.213  307.525   11.922 -51.91484 18.55057 
1 1 1   10    7    6 o  692.171   9.7874  621.205   17.548  617.500   24.888  624.867   24.746  689.707   13.931  693.828   13.769 -4.120117 19.58713 
1 1 1   10    7    7 o  723.941   9.9498  679.588   18.658  681.775   26.528  677.447   26.248  724.664   14.132  722.373   14.028 2.291138 19.91216 
1 1 1   10    7    8 o  421.874   9.0245  230.743   9.8618  224.690   14.052  236.619   13.844  416.072   13.038  427.010   12.516 -10.93811 18.07338 
1 1 1   10    7    9 o  694.722   9.8967  625.890   17.810  648.885   25.870  605.174   24.554  706.900   14.128  682.706   13.885 24.19391 19.80911 
1 1 1   10    7   10 o  485.809   9.0182  306.010   11.348  311.800   22.779  304.099   13.088  489.576   17.962  484.198   10.435 5.377502 20.77353 
1 1 1   10    7   11 o  606.817   9.4547  477.523   14.861  472.900   29.739  479.062   17.157  602.687   19.049  607.665   10.900 -4.977783 21.94754 
1 1 1   10    7   12 o  325.784   9.3189  137.644   7.8641  152.000   16.441  133.385   8.9549  341.170   18.675  320.632   10.782 20.53723 21.56389 
1 1 1   10    7   13 o  454.029   13.646  267.795   16.049   0.0000   0.0000  267.795   16.049  ?   ?   454.029   13.646 0.000000 13.64612 
1 1 1   10    7   14 o  630.252   9.8054  515.324   16.008  508.600   31.572  517.651   18.572  624.574   19.515  631.493   11.354 -6.918823 22.57736 
1 1 1   10    7   15 o  597.035   9.7507  462.487   15.079  458.600   29.859  463.818   17.471  592.940   19.441  597.711   11.285 -4.771606 22.47828 
1 1 1   10    7   16 f  1033.35   12.137  1387.18   32.488  1368.00   63.868  1393.88   37.735  1021.63   24.134  1035.31   14.071 -13.67279 27.93665 
1 1 1   10    7   17 o   74.408   23.065   7.2285   4.9060   0.7248   11.165   8.7846   5.4614   76.649   32.476   81.278   24.165 -4.629852 40.48033 
1 1 1   10    7   18 o  260.209   10.982   87.961   7.4021   87.120   15.399   88.213   8.4412  256.559   23.431  260.465   12.511 -3.905579 26.56194 
1 1 1   10    7   19 o  528.605   13.221  363.702   18.103  389.000   27.206  343.600   24.251  545.162   19.266  512.635   18.263 32.52686 26.54636 
1 1 1   10    7   20 o  232.224   11.933   70.352   7.1537   61.220   15.237   72.934   8.1022  212.919   28.330  236.255   13.294 -23.33505 31.29429 
1 1 1   10    7   21 o  235.916   11.528   72.448   7.0448  103.200   16.325   65.410   7.8094  278.660   22.816  223.549   13.550 55.11073 26.53647 
1 1 1   10    7   22 o  368.109   9.5302  176.199   9.0871  175.406   13.328  176.888   12.422  366.428   14.042  368.194   13.024 -1.765381 19.15254 
1 1 1   10    7   23 o  102.753   25.879   14.671   6.8842   12.050   9.3048   17.840   10.233   95.908   31.966  112.970   32.940 -17.06239 45.90124 
1 1 1   10    7   24 o  315.253   9.8682  129.432   8.0584  129.336   11.799  129.517   11.032  314.132   14.501  314.590   13.538 -0.4583435 19.83821 
1 1 1   10    7   25 f   69.623   23.182   6.2041   4.8939  -1.2887   7.1922   12.665   6.6785   57.439   25.197   95.297   26.228 -37.85762 36.37070 
1 1 1   10    7   26 o  346.802   9.9870  156.846   8.9715  154.100   13.125  159.255   12.291  342.349   14.800  348.428   13.619 -6.079346 20.11277 
1 1 1   10    7   27 o  193.696   12.398   49.357   6.1876   53.357   9.0626   45.865   8.4688  199.863   17.688  185.130   17.883 14.73303 25.15276 
1 1 1   10    7   28 f   91.811   21.539   11.778   5.0340   18.009   7.6346   6.9847   6.6958  112.470   26.620   75.573   27.020 36.89719 37.93034 
1 1 1   10    7   29 o   99.507   20.646   13.796   5.1473   9.2697   7.6052   17.621   6.9921   83.779   28.888  111.404   24.861 -27.62502 38.11250 
1 1 1   10    7   30 o  176.514   20.317   42.639   9.1201   31.150   14.763   49.730   11.598  141.133   39.058  188.734   24.287 -47.60162 45.99339 
1 1 1   10    7   31 o  124.976   20.827   21.774   6.5051   23.600   11.056   20.808   8.0449  124.400   33.545  119.657   26.640 4.743370 42.83645 
1 1 1   10    7   32 f  264.093   12.973   92.388   8.8744  103.700   15.427   86.794   10.849  273.465   21.964  253.700   16.601 19.76488 27.53184 
1 1 1   10    7   33 o   39.046   19.087 -11.1533   6.4031  -5.4833   7.9014 -22.0000   10.929   52.130   24.234   47.941   23.724 4.188156 33.91310 
1 1 1   10    7   34 o  164.064   16.491   36.687   6.9132   37.737   10.002   35.726   9.5660  161.725   24.656  157.567   24.212 4.157684 34.55651 
1 1 1   10    7   35 o  187.806   14.745   47.669   7.1153   47.912   10.540   47.466   9.6448  183.274   22.686  183.859   20.606 -0.5856323 30.64746 
1 1 1   10    7   36 o  241.458   13.013   78.179   8.1087   74.821   11.576   81.415   11.362  231.377   19.496  242.519   18.220 -11.14220 26.68445 
1 1 1   10    7   37 o  203.294   15.142   56.435   7.9166   49.424   11.526   62.695   10.892  182.378   25.061  210.194   20.256 -27.81607 32.22323 
1 1 1   10    7   38 o   75.771   27.243   8.3581   6.8157   15.081   9.6606   1.6950   9.6172   95.319   32.570   66.363   29.124 28.95602 43.69225 
1 1 1   10    7   39 f   84.739   29.974   11.482   8.2183   11.305   10.256   11.800   13.738   84.974   32.828   88.084   36.582 -3.109917 49.15178 
1 1 1   10    7   40 o   82.834   33.138   10.644   10.772  -4.3250   16.360   22.100   14.313   71.299   33.688  105.104   39.197 -33.80524 51.68426 
1 1 1   10    7   41 f   70.037   28.881   6.0543   8.4774  -6.0680   14.314   12.603   10.521   65.291   31.043   85.775   33.219 -20.48405 45.46559 
1 1 1   10    7   42 o  217.095   18.806   68.739   10.471   66.658   12.640   73.290   18.694  206.744   24.052  193.478   38.653 13.26607 45.52533 
1 1 1   10    7   43 o   75.634   28.671   9.5833   7.7254   4.6568   10.961   14.446   10.890   69.023   30.655   86.330   33.694 -17.30727 45.55265 
1 1 1   10    8    0 o  253.958   9.8529   83.623   6.4815   89.080   15.699   82.502   7.1163  260.390   23.530  252.218   10.892 8.171402 25.92918 
1 1 1   10    8    1 o  626.024   9.5428  508.109   15.474  566.100   34.364  493.359   17.331  659.596   20.113  616.776   10.848 42.81940 22.85213 
1 1 1   10    8    2 o  201.347   10.040   52.568   5.2365   64.350   14.445   50.785   5.6187  220.591   25.766  197.573   11.023 23.01721 28.02445 
1 1 1   10    8    3 o  288.032   9.5741  107.564   7.1432   95.923   10.179  118.859   10.027  271.425   14.530  302.650   12.790 -31.22488 19.35758 
1 1 1   10    8    4 o  372.039   9.0915  179.443   8.7614  157.311   12.127  203.609   12.672  348.138   13.448  396.135   12.350 -47.99750 18.25793 
1 1 1   10    8    5 o  421.401   12.662  230.440   13.821   0.0000   0.0000  230.440   13.821  ?   ?   421.401   12.662 0.000000 12.66153 
1 1 1   10    8    6 o  584.091   9.4293  442.348   14.266  441.953   20.385  442.727   19.972  583.491   13.488  584.029   13.202 -0.5383301 18.87345 
1 1 1   10    8    7 o  184.330   11.312   44.244   5.3752   49.228   8.1499   40.407   7.1509  193.941   16.376  175.634   15.890 18.30684 22.81843 
1 1 1   10    8    8 o  643.237   9.7058  536.549   16.172  550.577   23.415  523.754   22.362  651.162   13.882  635.136   13.592 16.02588 19.42825 
1 1 1   10    8    9 o  266.527   13.830   92.495   9.5150   0.0000   0.0000   92.495   9.5150  ?   ?   266.527   13.830 0.000000 13.82969 
1 1 1   10    8   10 o  203.559   11.491   53.941   6.0344   48.339   9.0285   58.464   8.1127  191.849   18.393  211.600   14.896 -19.75145 23.66897 
1 1 1   10    8   11 o  497.318   10.959  320.917   14.118  274.900   22.953  348.922   17.906  459.392   19.289  518.333   13.336 -58.94104 23.45024 
1 1 1   10    8   12 o  372.392   10.926  179.957   10.540   0.0000   0.0000  179.957   10.540  ?   ?   372.392   10.926 0.000000 10.92628 
1 1 1   10    8   13 o  566.466   11.341  416.527   16.640  381.900   27.571  436.367   20.870  541.192   19.668  579.473   13.904 -38.28113 24.08592 
1 1 1   10    8   14 o  622.077   9.8433  502.109   15.861  511.400   31.937  499.067   18.274  626.102   19.692  620.000   11.379 6.101379 22.74326 
1 1 1   10    8   15 o  156.012   14.498   31.928   5.7920   31.430   12.878   32.054   6.4849  151.185   33.740  156.065   16.281 -4.880569 37.46321 
1 1 1   10    8   16 o  142.900   16.132   26.933   5.8668   35.250   12.816   24.728   6.5989  160.490   31.951  136.309   19.223 24.18047 37.28798 
1 1 1   10    8   17 o  409.661   11.833  218.102   12.556  187.200   20.360  237.072   15.951  377.603   20.897  426.748   14.430 -49.14490 25.39487 
1 1 1   10    8   18 o  352.639   13.562  161.872   12.388  151.100   18.891  170.000   16.408  338.726   21.643  360.771   17.558 -22.04462 27.86975 
1 1 1   10    8   19 o  346.927   10.142  156.382   9.1144  159.200   18.304  155.453   10.510  347.775   20.408  345.708   11.737 2.066833 23.54249 
1 1 1   10    8   20 o  380.826   10.255  188.542   10.116  205.600   21.100  183.451   11.527  394.889   20.700  375.412   11.854 19.47702 23.85386 
1 1 1   10    8   21 o  203.050   13.296   54.015   6.9544   51.030   15.365   54.784   7.7989  192.211   31.985  204.211   14.845 -11.99944 35.26250 
1 1 1   10    8   22 o  215.228   12.843   60.678   7.1275   73.400   15.111   57.037   8.0832  233.242   25.422  208.198   15.091 25.04413 29.56400 
1 1 1   10    8   23 o   82.139   30.898   7.1650   8.9316   0.0000   0.0000   7.1650   8.9316  ?   ?    82.139   30.898 0.000000 30.89846 
1 1 1   10    8   24 o  393.016   9.5664  201.162   9.7389  201.670   14.239  200.715   13.350  392.272   14.013  391.614   13.161 0.6577759 19.22399 
1 1 1   10    8   25 o   61.664   22.905   4.0463   4.8780   0.6777   7.4920   6.5251   6.4268   62.442   26.537   74.041   26.472 -11.59843 37.48316 
1 1 1   10    8   26 o  128.394   16.815   22.138   5.4580   25.499   8.3973   19.679   7.1821  135.411   24.857  118.806   24.161 16.60495 34.66383 
1 1 1   10    8   27 o  442.702   9.7173  255.777   11.143  247.095   15.990  263.975   15.538  433.232   14.249  448.214   13.383 -14.98273 19.54790 
1 1 1   10    8   28 o  116.292   18.684   18.476   5.4377   16.480   8.1669   20.066   7.2882  106.951   28.826  119.378   24.393 -12.42659 37.76226 
1 1 1   10    8   29 o   57.944   23.611   2.1735   5.5823  -2.9307   7.3966   8.9280   8.5087   54.678   24.662   84.010   30.407 -29.33218 39.15118 
1 1 1   10    8   30 o  167.458   17.777   38.015   7.5933   18.610   15.710   43.930   8.6738  112.709   41.237  179.625   18.927 -66.91550 45.37294 
1 1 1   10    8   31 o  134.601   19.561   25.048   6.6204   27.830   11.158   23.536   8.2244  135.477   32.259  127.604   25.770 7.873222 41.28833 
1 1 1   10    8   32 o   50.058   22.356  -1.6318   5.9139   11.750   10.114  -8.5840   7.2900   91.682   33.157   45.802   21.881 45.88031 39.72599 
1 1 1   10    8   33 o   63.790   25.839   3.4037   6.6387   2.7015   7.9676   4.9980   12.006   66.163   27.700   80.360   33.842 -14.19701 43.73326 
1 1 1   10    8   34 o  121.835   21.014   21.090   6.3922   20.891   9.3960   21.262   8.7215  116.021   30.764  118.175   28.763 -2.154129 42.11566 
1 1 1   10    8   35 o   48.416   21.783  -1.7902   5.7284  -1.8305   8.3289  -1.7541   7.8912   58.393   26.270   57.001   25.613 1.392410 36.68972 
1 1 1   10    8   36 o   99.405   25.810   15.031   6.7046   28.716   9.8576   3.2520   9.1458  136.132   28.851   69.060   29.334 67.07145 41.14472 
1 1 1   10    8   37 o  217.717   14.605   64.600   8.1890   66.639   11.703   62.644   11.463  215.352   21.257  208.487   21.536 6.864502 30.25956 
1 1 1   10    8   38 o   80.437   27.612   9.9470   6.9446   11.034   9.6084   8.7583   10.049   84.577   31.995   79.889   31.990 4.687965 45.24406 
1 1 1   10    8   39 o   78.818   32.657   8.2195   10.912   15.010   15.890   2.1590   15.012   93.340   39.101   75.974   34.609 17.36662 52.21783 
1 1 1   10    8   40 o   87.516   30.520   12.952   8.5005   3.7804   10.538   30.040   14.384   69.820   30.567  121.010   39.717 -51.18925 50.11756 
1 1 1   10    8   41 o  152.693   29.216   38.968   11.135   29.720   15.534   48.740   15.968  115.400   41.167  156.115   39.467 -40.71505 57.02930 
1 1 1   10    8   42 f   35.486   17.814 -17.8248   7.1741  -9.2436   10.523 -25.2778   9.8066   52.835   25.510   40.089   20.215 12.74564 32.54840 
1 1 1   10    8   43 o   75.104   28.706   9.5834   7.7848   12.753   11.226   6.6463   10.805   82.005   33.457   71.233   31.075 10.77189 45.66232 
1 1 1   10    9    0 o  222.598   11.209   64.436   6.4424  126.500   16.397   53.106   7.0058  311.059   20.465  201.820   13.479 109.2392 24.50466 
1 1 1   10    9    1 o  875.652   10.955  994.554   24.849  968.500   50.297  1002.97   28.581  862.045   22.525  879.144   12.551 -17.09930 25.78547 
1 1 1   10    9    2 o  555.888   9.5234  400.669   13.713  399.036   19.561  402.246   19.229  554.427   13.621  556.679   13.335 -2.252563 19.06187 
1 1 1   10    9    3 o  417.195   9.2407  225.667   9.9861  231.916   14.461  219.970   13.807  422.695   13.207  411.683   12.947 11.01221 18.49504 
1 1 1   10    9    4 o  606.818   9.5563  477.471   15.021  467.531   21.215  487.464   21.271  600.103   13.648  612.789   13.401 -12.68524 19.12692 
1 1 1   10    9    5 o  450.212   9.2725  262.811   10.813  262.930   15.504  262.699   15.089  450.045   13.299  449.875   12.949 0.1708679 18.56203 
1 1 1   10    9    6 f  469.223   9.3233  285.488   11.332  273.388   16.056  297.497   15.995  458.877   13.508  478.734   12.899 -19.85739 18.67730 
1 1 1   10    9    7 o  566.406   9.5002  416.027   13.938  431.449   20.167  401.922   19.286  576.439   13.506  556.378   13.382 20.06110 19.01322 
1 1 1   10    9    8 o  289.899   9.8768  109.000   7.4167  112.745   10.887  105.756   10.132  294.612   14.266  285.367   13.706 9.245117 19.78331 
1 1 1   10    9    9 o  542.151   13.400  381.710   18.817   0.0000   0.0000  381.710   18.817  ?   ?   542.151   13.400 0.000000 13.39957 
1 1 1   10    9   10 o  586.285   9.7600  445.854   14.822  481.761   21.920  415.604   20.119  608.966   13.896  565.630   13.732 43.33582 19.53609 
1 1 1   10    9   11 o  249.261   13.070   80.918   8.4095   71.490   16.206   84.393   9.8377  231.919   27.514  254.350   14.998 -22.43105 31.33593 
1 1 1   10    9   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    9   13 o  383.593   9.6969  190.913   9.6350  184.800   19.743  192.824   11.039  375.725   20.362  385.405   11.057 -9.679718 23.17030 
1 1 1   10    9   14 f  332.715   10.079  143.669   8.6862  123.800   17.340  150.325   10.036  306.907   21.957  340.238   11.388 -33.33066 24.73418 
1 1 1   10    9   15 o  480.297   9.6802  299.391   12.043  252.200   22.880  317.476   14.164  439.320   20.106  494.435   11.059 -55.11517 22.94707 
1 1 1   10    9   16 o  1178.52   13.208  1806.44   40.321  1833.00   81.321  1797.78   46.430  1179.58   26.615  1174.86   15.257 4.714966 30.67759 
1 1 1   10    9   17 o  327.375   14.018  139.542   11.887  132.300   17.693  145.500   16.049  316.895   21.685  333.104   18.676 -16.20917 28.61849 
1 1 1   10    9   18 o  569.059   9.9851  420.671   14.718  416.200   29.442  422.160   16.994  563.424   20.173  569.783   11.514 -6.359131 23.22827 
1 1 1   10    9   19 o  145.982   15.929   28.163   5.9255   29.740   12.760   27.729   6.6906  145.830   34.347  144.382   18.300 1.447556 38.91805 
1 1 1   10    9   20 o  452.868   10.066  266.692   11.808  260.700   24.107  268.583   13.544  444.799   20.923  454.191   11.512 -9.391693 23.88119 
1 1 1   10    9   21 o  460.211   10.123  275.588   12.068  283.900   24.739  272.992   13.824  463.726   20.595  457.691   11.661 6.035309 23.66717 
1 1 1   10    9   22 o  208.273   14.270   57.032   7.6521   0.0000   0.0000   57.032   7.6521  ?   ?   208.273   14.270 0.000000 14.26996 
1 1 1   10    9   23 o  242.558   15.728   77.614   9.8287   45.620   17.386   92.641   11.915  177.045   38.968  264.539   17.487 -87.49409 42.71186 
1 1 1   10    9   24 o  258.250   12.002   87.184   8.0287   75.890   17.964   90.004   8.9750  233.567   30.413  261.797   13.278 -28.23003 33.18553 
1 1 1   10    9   25 o  234.611   13.526   72.443   8.1851   63.320   17.134   75.140   9.3169  211.551   32.292  238.471   15.162 -26.92029 35.67410 
1 1 1   10    9   26 o  274.493   10.706   98.459   7.6125   98.999   11.649   98.056   10.057  273.101   16.545  272.631   14.291 0.4699097 21.86233 
1 1 1   10    9   27 o   55.421   22.129   2.3048   4.7939  -0.5082   7.4156   4.3245   6.2834   59.357   25.822   66.603   25.706 -7.245819 36.43545 
1 1 1   10    9   28 o   72.112   23.668   6.9192   5.1080   0.9143   7.4986   12.118   6.9771   62.276   26.509   92.376   27.276 -30.10007 38.03595 
1 1 1   10    9   29 o   66.657   25.776   4.4724   6.3271 -16.2500   14.120   9.6788   7.0775   62.904   30.158   83.948   27.874 -21.04350 41.06710 
1 1 1   10    9   30 o   70.594   25.002   6.3342   5.7200   2.8570   9.3683   8.4010   7.2226   71.387   29.970   79.756   28.111 -8.369881 41.09058 
1 1 1   10    9   31 o  106.632   22.142   16.199   5.9159   12.952   8.8366   18.836   7.9640   94.192   31.140  112.879   27.493 -18.68739 41.53984 
1 1 1   10    9   32 o  121.678   27.546   22.015   8.4798   20.060   11.551   24.300   12.488  112.728   35.466  122.956   36.537 -10.22893 50.91990 
1 1 1   10    9   33 o   46.347   21.014  -2.3425   5.4516  -1.3584   7.5953  -3.3884   7.8296   57.022   25.410   54.619   24.925 2.402363 35.59410 
1 1 1   10    9   34 o  158.565   16.838   34.500   6.8102   43.241   10.115   27.251   9.2107  173.740   23.044  134.777   27.319 38.96335 35.73988 
1 1 1   10    9   35 o  179.050   15.642   43.755   7.1816   38.525   10.387   48.543   9.9400  161.246   25.735  184.931   21.130 -23.68488 33.29791 
1 1 1   10    9   36 o   91.261   26.606   12.818   6.6759   3.5788   10.027   20.175   8.9475   71.339   30.517  112.238   30.140 -40.89905 42.89177 
1 1 1   10    9   37 o   92.178   26.712   13.319   6.7475   14.481   9.4110   12.090   9.6795   93.877   32.146   87.702   32.326 6.175552 45.58889 
1 1 1   10    9   38 o   75.885   29.562   8.0471   8.3701   0.2222   10.500   21.690   13.864   65.550   29.491  106.548   38.776 -40.99835 48.71650 
1 1 1   10    9   39 o   77.271   30.090   8.8358   8.6694   16.900   15.695   5.2951   10.400   95.264   39.293   72.424   31.034 22.83981 50.06981 
1 1 1   10    9   40 o   86.246   28.698   12.463   7.5006   24.865   10.884   1.2454   10.351  116.087   34.008   65.255   29.328 50.83115 44.90709 
1 1 1   10    9   41 o  129.394   42.234   38.140   16.274   38.140   16.274   0.0000   0.0000  129.394   42.234  ?   ?  0.000000 42.23432 
1 1 1   10    9   42 o  128.919   25.713   27.259   8.2854   29.290   11.562   25.115   11.878  121.722   34.879  109.861   36.094 11.86118 50.19267 
1 1 1   10    9   43 o   79.484   31.592   11.824   9.7290   19.430   16.745   7.9484   11.954   89.061   38.773   73.375   32.328 15.68594 50.48196 
1 1 1   10   10    0 o  910.964   11.239  1076.61   26.521  963.200   50.144  1120.65   31.249  859.459   22.524  929.148   12.984 -69.68817 25.99840 
1 1 1   10   10    1 o  512.589   9.5765  340.717   12.715  288.154   17.190  404.232   18.896  471.057   14.088  558.029   13.072 -86.97186 19.21854 
1 1 1   10   10    2 o  455.035   9.5002  268.498   11.198  280.831   16.387  257.695   15.337  465.070   13.603  445.527   13.290 19.54306 19.01730 
1 1 1   10   10    3 o  331.516   9.9358  142.534   8.5321  129.644   12.158  155.043   11.977  315.908   14.857  345.568   13.380 -29.66022 19.99414 
1 1 1   10   10    4 o  323.129   10.029  135.419   8.3944  135.660   12.143  135.199   11.617  323.169   14.506  322.658   13.900 0.5112915 20.09066 
1 1 1   10   10    5 o  174.721   13.052   39.854   5.8645   34.901   8.7412   43.907   7.9084  162.267   21.312  182.983   16.875 -20.71548 27.18404 
1 1 1   10   10    6 o  234.371   11.051   71.270   6.7087   74.150   9.7787   68.709   9.2209  238.303   15.934  229.391   15.611 8.911819 22.30666 
1 1 1   10   10    7 o  534.792   9.5976  370.934   13.295  384.502   19.424  358.973   18.237  544.083   13.782  525.753   13.391 18.33008 19.21647 
1 1 1   10   10    8 o  298.307   14.426  115.629   11.147   0.0000   0.0000  115.629   11.147  ?   ?   298.307   14.426 0.000000 14.42594 
1 1 1   10   10    9 o  313.869   10.498  127.822   8.5352  132.367   12.657  124.030   11.559  319.076   15.313  308.930   14.445 10.14633 21.05131 
1 1 1   10   10   10 o  563.559   14.836  412.901   21.658  413.000   30.502  412.800   30.757  562.573   20.931  562.401   21.113 0.1729736 29.72982 
1 1 1   10   10   11 o  531.849   11.883  367.294   16.371  361.059   19.658  381.400   29.570  526.998   14.401  540.468   21.122 -13.46991 25.56409 
1 1 1   10   10   12 o  345.369   10.537  154.818   9.4267  164.052   13.820  146.784   12.891  355.125   15.024  335.936   14.815 19.18942 21.09924 
1 1 1   10   10   13 o  166.876   14.084   36.470   6.0309   33.150   13.386   37.315   6.7554  155.212   34.216  168.600   15.647 -13.38780 37.62361 
1 1 1   10   10   14 o  465.222   9.7018  280.902   11.691  293.000   24.145  277.197   13.362  473.587   19.682  461.986   11.166 11.60110 22.62918 
1 1 1   10   10   15 o  399.955   11.876  207.889   12.303  202.200   21.500  210.660   15.003  392.417   21.231  402.288   14.397 -9.870850 25.65199 
1 1 1   10   10   16 o  413.796   13.595  222.867   14.572  237.200   21.754  211.200   19.626  425.734   19.727  401.905   18.852 23.82956 27.28652 
1 1 1   10   10   17 o  451.828   9.9785  265.190   11.679  284.200   24.384  259.532   13.304  465.598   20.218  446.764   11.496 18.83450 23.25784 
1 1 1   10   10   18 o  379.664   10.157  187.339   9.9889  196.600   21.164  184.685   11.330  386.120   21.242  376.764   11.610 9.356445 24.20734 
1 1 1   10   10   19 o   70.876   25.417   5.7188   5.9291   12.500   14.138   4.2716   6.5312  105.315   39.019   68.307   26.250 37.00751 47.02708 
1 1 1   10   10   20 o  120.630   21.341   19.764   6.4243   3.2870   14.803   23.587   7.1308   90.020   37.727  131.982   21.606 -41.96165 43.47563 
1 1 1   10   10   21 o  247.178   12.003   79.707   7.6851   64.700   16.189   84.073   8.7317  217.039   29.565  253.297   13.355 -36.25809 32.44123 
1 1 1   10   10   22 o  305.554   16.688  123.185   13.158   0.0000   0.0000  123.185   13.158  ?   ?   305.554   16.688 0.000000 16.68772 
1 1 1   10   10   23 o  213.620   13.141   59.968   7.2361   34.980   17.074   65.439   7.9890  153.296   41.832  223.000   13.900 -69.70341 44.08087 
1 1 1   10   10   24 o  441.909   10.387  254.817   11.890  234.400   24.596  261.043   13.582  417.368   22.838  446.815   11.735 -29.44745 25.67649 
1 1 1   10   10   25 o  213.488   13.544   60.083   7.4511   16.260   16.733   70.922   8.3217  112.953   42.331  231.906   13.918 -118.9527 44.55978 
1 1 1   10   10   26 o  224.823   13.050   66.614   7.5671   83.300   17.295   62.663   8.4153  244.537   27.798  217.417   15.035 27.11992 31.60327 
1 1 1   10   10   27 o  282.822   10.887  104.745   7.9755   97.072   11.696  111.414   10.904  269.743   16.822  290.461   14.493 -20.71802 22.20433 
1 1 1   10   10   28 o  272.751   16.309   99.357   11.469   87.640   18.183  107.100   14.781  248.339   28.801  280.822   20.461 -32.48222 35.32895 
1 1 1   10   10   29 o   57.959   23.649   2.2354   5.6095   6.5700   9.8055   0.1268   6.8391   80.240   31.772   57.774   24.965 22.46542 40.40651 
1 1 1   10   10   30 o  163.507   16.676   36.219   6.9640   38.120   11.938   35.238   8.5739  160.638   29.787  159.093   21.344 1.544815 36.64478 
1 1 1   10   10   31 o  189.303   14.149   48.000   6.8880   43.786   10.389   51.305   9.2012  175.868   23.385  193.489   18.587 -17.62178 29.87197 
1 1 1   10   10   32 o  140.488   25.210   28.719   8.8370   40.400   13.062   18.860   12.000  162.033   32.256  108.987   36.301 53.04585 48.56120 
1 1 1   10   10   33 o  138.913   18.546   26.826   6.5066   20.311   9.5655   32.436   8.8767  113.896   31.407  149.996   23.628 -36.09934 39.30250 
1 1 1   10   10   34 o   62.452   24.504   4.0732   5.7830   1.0185   8.1855   7.1173   8.1713   62.733   27.210   75.866   29.305 -13.13283 39.98904 
1 1 1   10   10   35 o   61.811   25.124   3.4245   6.3005   9.4516   9.3073  -1.6737   8.5601   82.503   31.423   58.942   26.563 23.56075 41.14610 
1 1 1   10   10   36 o  132.313   21.906   25.586   7.2451   15.592   10.626   34.267   9.9039   96.968   34.106  149.864   26.481 -52.89622 43.17977 
1 1 1   10   10   37 o  109.336   25.711   18.616   7.1594   23.967   10.211   13.441   10.041  118.798   32.322   90.434   32.986 28.36380 46.18203 
1 1 1   10   10   38 o   60.379   27.827  -2.5945   10.089  -4.1490   16.137  -1.5970   12.927   71.483   33.678   68.077   31.419 3.406395 46.05776 
1 1 1   10   10   39 o   59.950   25.739   2.4038   7.1786   4.1428   10.329   0.7792   9.9837   69.887   30.439   64.044   28.791 5.842567 41.89790 
1 1 1   10   10   40 o   66.623   27.165   5.4842   7.3952   13.757   10.638  -2.2516   10.287   87.575   33.537   60.116   27.844 27.45967 43.58943 
1 1 1   10   10   41 o   76.573   33.729   7.7140   13.005   7.7140   13.005   0.0000   0.0000   76.573   33.729  ?   ?  0.000000 33.72895 
1 1 1   10   10   42 o   65.128   27.998   4.7383   8.5142  -1.8022   10.642   16.370   14.192   59.713   27.880   87.549   36.828 -27.83603 46.19098 
1 1 1   10   11    0 o  149.522   20.563   29.672   7.7532   3.4000   14.500   40.190   9.1749   91.343   37.730  174.403   20.715 -83.06049 43.04208 
1 1 1   10   11    1 o  479.214   9.7998  297.847   12.165  292.816   17.333  302.731   17.076  474.790   14.094  482.805   13.654 -8.014709 19.62330 
1 1 1   10   11    2 o  297.331   10.644  114.692   8.1978  110.097   11.900  118.841   11.309  290.586   15.870  302.448   14.436 -11.86182 21.45328 
1 1 1   10   11    3 o  223.699   17.841   65.530   10.252   65.530   10.252   0.0000   0.0000  223.699   17.841  ?   ?  0.000000 17.84139 
1 1 1   10   11    4 o  403.505   9.8444  211.185   10.289  189.114   14.310  234.812   14.806  381.509   14.480  425.206   13.442 -43.69711 19.75792 
1 1 1   10   11    5 o  358.149   10.061  166.393   9.3333  162.277   13.602  170.056   12.830  353.360   14.861  361.825   13.689 -8.465363 20.20498 
1 1 1   10   11    6 o  291.483   10.797  110.246   8.1520   97.657   11.577  122.626   11.481  273.515   16.417  307.187   14.428 -33.67197 21.85594 
1 1 1   10   11    7 o  428.622   9.9365  238.333   11.032  219.871   15.599  256.810   15.605  411.291   14.641  444.613   13.550 -33.32236 19.94918 
1 1 1   10   11    8 o  349.424   15.722  158.811   14.230  150.900   19.894  167.100   20.363  339.071   22.783  357.013   22.128 -17.94141 31.76040 
1 1 1   10   11    9 o  360.966   15.631  169.500   14.616  169.500   20.100  169.500   21.291  359.599   21.680  359.334   22.995 0.2655334 31.60323 
1 1 1   10   11   10 o  352.906   10.545  161.643   9.6399  166.299   13.937  157.373   13.348  357.561   15.048  347.856   14.813 9.705078 21.11583 
1 1 1   10   11   11 o  327.179   10.922  138.974   9.2564  148.512   13.763  131.095   12.508  337.786   15.729  317.412   15.213 20.37430 21.88266 
1 1 1   10   11   12 o  691.213   10.418  620.231   18.653  634.277   27.095  607.578   25.716  698.131   14.983  683.378   14.528 14.75336 20.86988 
1 1 1   10   11   13 o  134.343   21.747   24.212   7.3090   21.580   13.184   25.380   8.7820  126.079   37.560  136.803   25.727 -10.72387 45.52588 
1 1 1   10   11   14 o  253.676   15.959   84.199   10.433   87.180   16.753   82.310   13.334  256.154   25.592  249.920   20.786 6.234283 32.96968 
1 1 1   10   11   15 o  153.954   16.135   31.246   6.3387   11.310   14.493   35.961   7.0487  104.497   39.350  165.181   16.703 -60.68386 42.74805 
1 1 1   10   11   16 o  515.499   9.9705  345.204   13.314  372.600   28.279  337.403   15.091  533.005   20.482  509.401   11.437 23.60458 23.45885 
1 1 1   10   11   17 o  361.919   10.460  170.272   9.8057  143.000   19.786  179.152   11.290  328.471   23.407  371.057   11.746 -42.58606 26.18931 
1 1 1   10   11   18 o  278.315   11.526  100.832   8.3093   88.170   17.959  104.281   9.3729  255.877   27.530  282.868   12.792 -26.99065 30.35640 
1 1 1   10   11   19 o  237.079   12.512   73.495   7.6563   71.250   17.220   74.048   8.5476  228.451   29.810  237.701   13.943 -9.250107 32.90970 
1 1 1   10   11   20 o   67.439   24.972   4.8449   5.7890  -2.6720   13.250   6.6181   6.4357   76.834   33.934   74.778   26.516 2.055847 43.06570 
1 1 1   10   11   21 o  377.615   12.208  186.226   11.941   0.0000   0.0000  186.226   11.941  ?   ?   377.615   12.208 0.000000 12.20769 
1 1 1   10   11   22 o  452.838   12.460  268.174   14.615  269.400   25.584  267.580   17.806  449.316   21.982  451.260   15.233 -1.944336 26.74417 
1 1 1   10   11   23 o   98.078   24.697   13.469   6.2706 -14.5900   16.063   18.513   6.8110   71.366   33.616  115.450   23.573 -44.08331 41.05734 
1 1 1   10   11   24 o  313.823   11.257  128.766   9.1505  119.100   19.395  131.533   10.378  295.114   25.626  316.786   12.648 -21.67242 28.57709 
1 1 1   10   11   25 o  158.484   16.557   33.599   6.6966   22.160   15.388   36.271   7.4377  123.034   41.111  164.347   17.753 -41.31334 44.78074 
1 1 1   10   11   26 o  347.213   10.994  157.859   9.8876  133.500   20.392  165.346   11.306  311.090   25.531  354.865   12.299 -43.77539 28.33924 
1 1 1   10   11   27 o  123.232   28.008   21.955   8.7376  -0.6981   14.670   34.410   10.877   80.727   35.677  155.007   28.127 -74.28017 45.43108 
1 1 1   10   11   28 o   67.188   25.888   4.6593   6.3646   0.0000   0.0000   4.6593   6.3646  ?   ?    67.188   25.888 0.000000 25.88802 
1 1 1   10   11   29 o  259.249   15.713   90.088   10.502   0.0000   0.0000   90.088   10.502  ?   ?   259.249   15.713 0.000000 15.71309 
1 1 1   10   11   30 o   86.864   24.411   10.927   5.7204   12.508   8.4934   9.6144   7.7388   92.537   30.526   83.452   29.119 9.085258 42.18781 
1 1 1   10   11   31 o  155.433   16.661   32.951   6.6033   25.410   10.220   38.355   8.6515  128.629   31.032  165.726   20.598 -37.09685 37.24549 
1 1 1   10   11   32 o  260.232   23.068   96.020   15.388   0.0000   0.0000   96.020   15.388  ?   ?   260.232   23.068 0.000000 23.06760 
1 1 1   10   11   33 o   81.466   25.432   9.7415   5.9525   11.743   9.1281   8.2609   7.8515   89.101   31.581   78.481   29.078 10.61916 42.92912 
1 1 1   10   11   34 o   51.651   22.647  -0.2393   5.8039   12.304   8.8253  -9.7983   7.7043   89.765   31.109   45.513   21.937 44.25207 38.06609 
1 1 1   10   11   35 f  146.414   18.990   30.316   7.0324   32.803   10.564   28.337   9.4237  144.693   29.194  135.318   27.815 9.375351 40.32290 
1 1 1   10   11   36 f  120.632   23.607   21.883   7.1125   24.017   10.373   19.990   9.7708  119.133   32.647  108.764   32.319 10.36851 45.93804 
1 1 1   10   11   37 o   64.731   27.374   3.4921   7.9076   1.3440   9.8372   7.4150   13.294   65.491   29.066   80.609   34.819 -15.11769 45.35617 
1 1 1   10   11   38 o   48.407   23.248  -8.4925   8.4696   1.9680   16.106 -12.4908   9.9575   76.371   35.184   49.522   24.119 26.84946 42.65744 
1 1 1   10   11   39 o  212.735   16.008   63.667   8.7567   59.082   12.541   68.030   12.233  193.609   25.636  211.897   22.637 -18.28842 34.20034 
1 1 1   10   11   40 f  181.770   18.144   47.949   8.4285   41.687   12.042   53.964   11.801  154.495   31.165  184.015   25.439 -29.52023 40.22981 
1 1 1   10   11   41 o   58.302   26.528   0.0051   8.7875  -4.8413   10.859   9.2000   14.957   57.361   27.204   78.876   35.366 -21.51564 44.61826 
1 1 1   10   11   42 o   75.188   30.112   9.8674   8.9054   7.9343   10.923   13.700   15.380   72.556   31.451   82.145   36.406 -9.589516 48.10949 
1 1 1   10   12    0 o  285.879   11.683  106.084   8.6514  105.922   12.578  106.229   11.919  284.790   17.130  285.329   16.193 -0.5399780 23.57205 
1 1 1   10   12    1 o  453.474   11.988  266.959   14.081  258.099   16.897  287.100   25.476  445.629   14.638  469.139   20.965 -23.50983 25.56930 
1 1 1   10   12    2 o  382.320   15.974  190.106   15.820  220.200   22.980  163.000   21.810  410.183   21.706  352.289   24.044 57.89438 32.39248 
1 1 1   10   12    3 o  303.790   17.373  120.516   13.614   91.300   19.113  150.600   19.395  262.233   28.602  338.896   22.217 -76.66333 36.21752 
1 1 1   10   12    4 o  373.847   15.684  181.770   15.188  182.300   22.158  181.300   20.860  372.797   23.059  372.030   21.741 0.7672424 31.69209 
1 1 1   10   12    5 f  326.495   16.243  138.695   13.737  116.700   19.172  161.900   19.692  297.523   25.111  351.462   21.737 -53.93854 33.21245 
1 1 1   10   12    6 o  290.253   17.383  110.089   13.009   86.830   18.349  133.600   18.448  255.632   28.178  318.966   22.471 -63.33461 36.04153 
1 1 1   10   12    7 o  242.267   15.100   76.630   9.4288   74.664   11.386   80.920   16.820  238.634   18.566  246.945   26.722 -8.311752 32.53822 
1 1 1   10   12    8 o  377.311   10.329  184.762   10.095  192.718   14.846  177.918   13.769  384.924   14.889  369.902   14.370 15.02133 20.69280 
1 1 1   10   12    9 o  513.398   13.957  342.715   18.561   0.0000   0.0000  342.715   18.561  ?   ?   513.398   13.957 0.000000 13.95727 
1 1 1   10   12   10 o  551.159   10.215  394.309   14.583  387.534   20.883  400.757   20.373  545.745   14.773  555.080   14.169 -9.334534 20.46949 
1 1 1   10   12   11 o  344.909   14.272  154.780   12.751  180.900   19.747  136.100   16.699  371.407   20.607  322.095   20.116 49.31186 28.79781 
1 1 1   10   12   12 o  276.280   15.318   99.717   10.920  110.100   16.811   92.140   14.362  288.937   22.643  264.492   21.139 24.44446 30.97729 
1 1 1   10   12   13 o  494.380   10.380  317.432   13.293  316.232   19.447  318.484   18.212  492.655   15.239  494.598   14.215 -1.942993 20.83981 
1 1 1   10   12   14 o  219.711   12.715   63.013   7.2051   54.130   16.454   65.120   8.0143  198.983   33.086  223.195   13.932 -24.21211 35.89930 
1 1 1   10   12   15 o  286.853   11.196  106.984   8.3188  116.100   18.608  104.707   9.3000  295.708   24.514  283.632   12.658 12.07654 27.58901 
1 1 1   10   12   16 o  362.721   10.387  171.032   9.7588  165.300   21.516  172.516   10.950  353.119   23.660  364.124   11.609 -11.00571 26.35477 
1 1 1   10   12   17 o  154.908   16.112   31.720   6.3704   15.410   14.731   35.472   7.0652  112.192   40.082  163.747   16.900 -51.55472 43.49932 
1 1 1   10   12   18 o   86.607   25.009   10.211   5.9239  -6.4400   14.647   13.467   6.4773   76.569   34.604   98.738   25.232 -22.16949 42.82628 
1 1 1   10   12   19 o   74.098   25.601   6.7338   5.9744  -1.0030   14.402   8.3419   6.5660   82.419   35.918   80.630   26.852 1.789391 44.84550 
1 1 1   10   12   20 o  122.433   20.762   20.392   6.3492  -3.1420   15.197   25.368   6.9883   81.482   36.146  137.000   20.307 -55.51865 41.46027 
1 1 1   10   12   21 o  480.781   15.031  303.610   18.719   0.0000   0.0000  303.610   18.719  ?   ?   480.781   15.031 0.000000 15.03108 
1 1 1   10   12   22 f  197.804   14.437   51.663   7.3459   30.440   16.562   56.860   8.1962  142.757   41.988  207.307   15.373 -64.54980 44.71362 
1 1 1   10   12   23 o  391.958   10.873  200.737   11.039  207.900   24.061  198.828   12.424  391.780   23.822  389.608   12.310 2.172760 26.81501 
1 1 1   10   12   24 o  320.034   11.534  134.094   9.5613  137.400   20.297  133.151   10.839  316.934   24.925  318.396   13.143 -1.462311 28.17736 
1 1 1   10   12   25 o  149.081   18.129   30.028   6.8568   43.730   15.588   26.741   7.6351  171.420   36.240  139.258   21.888 32.16176 42.33681 
1 1 1   10   12   26 o  196.276   20.607   52.495   10.321   25.090   15.965   72.170   13.527  127.675   41.839  229.061   23.115 -101.3855 47.79985 
1 1 1   10   12   27 f  156.854   17.882   33.375   7.1356   30.490   16.476   34.041   7.9166  137.954   42.188  157.636   19.827 -19.68286 46.61449 
1 1 1   10   12   28 o  188.058   17.483   47.910   8.4189   0.0000   0.0000   47.910   8.4189  ?   ?   188.058   17.483 0.000000 17.48296 
1 1 1   10   12   29 o   50.263   22.380  -1.4643   5.8788  -6.4760   14.216  -0.4306   6.4567   71.135   32.872   54.775   23.955 16.36041 40.67420 
1 1 1   10   12   30 o   61.309   24.743   3.1249   6.0636 -10.7700   14.750   5.9506   6.6516   67.832   32.031   70.694   26.650 -2.862335 41.66774 
1 1 1   10   12   31 o   78.934   32.415   6.0440   10.623   0.0000   0.0000   6.0440   10.623  ?   ?    78.934   32.415 0.000000 32.41454 
1 1 1   10   12   32 o  183.850   15.180   45.838   7.1644   44.770   10.419   46.795   9.8670  176.479   23.368  181.923   21.344 -5.444244 31.64837 
1 1 1   10   12   33 o   94.397   25.646   13.459   6.4341   6.4438   8.9857   20.841   9.2171   75.514   30.246  114.806   30.483 -39.29144 42.94221 
1 1 1   10   12   34 o   51.107   22.795  -1.0631   6.1270  -0.7176   9.0356  -1.3572   8.3364   61.712   27.591   58.540   26.314 3.172180 38.12729 
1 1 1   10   12   35 o  177.348   16.218   43.543   7.3677   48.004   10.642   39.436   10.211  180.410   23.317  161.759   25.189 18.65019 34.32490 
1 1 1   10   12   36 o  188.958   16.266   49.728   7.8839   47.086   11.505   52.067   10.825  174.669   26.239  187.374   22.772 -12.70490 34.74240 
1 1 1   10   12   37 o   54.636   25.093  -2.4766   8.1075   7.7700   14.709  -6.9483   9.7169   81.698   35.932   54.099   25.679 27.59946 44.16465 
1 1 1   10   12   38 o   62.227   26.024   3.7510   7.0219   3.9686   10.215   3.5560   9.6688   69.068   30.170   67.392   29.398 1.676628 42.12457 
1 1 1   10   12   39 o   59.255   25.800   2.1035   7.4154   1.3462   10.727   2.7965   10.262   65.386   29.577   66.562   29.607 -1.176155 41.84932 
1 1 1   10   12   40 o   49.806   23.751  -6.2910   8.5082  -5.4310   14.817  -6.7141   10.392   64.837   31.034   54.636   26.108 10.20024 40.55570 
1 1 1   10   12   41 o   43.061   21.156 -11.7584   8.1754 -14.8448   9.8652  -4.9920   14.607   45.886   22.676   63.601   30.541 -17.71523 38.03886 
1 1 1   10   12   42 o   55.576   26.592  -4.9812   10.856 -13.6800   16.195   2.1170   14.630   58.924   29.107   67.948   32.029 -9.023720 43.27892 
1 1 1   10   13    0 o  289.178   13.138  108.647   9.8408  119.400   17.091  103.314   12.036  301.511   22.037  281.247   16.595 20.26379 27.58625 
1 1 1   10   13    1 o  586.918   10.212  446.996   15.526  458.260   22.550  436.843   21.408  593.666   14.664  579.690   14.257 13.97638 20.45225 
1 1 1   10   13    2 o  731.246   10.681  694.005   20.231  719.963   29.563  671.143   27.744  743.965   15.341  718.385   14.909 25.58020 21.39235 
1 1 1   10   13    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   13    4 o  401.537   10.385  209.249   10.802  203.586   15.656  214.394   14.922  395.593   15.279  406.082   14.187 -10.48892 20.84937 
1 1 1   10   13    5 o  281.012   16.087  103.123   11.661   0.0000   0.0000  103.123   11.661  ?   ?   281.012   16.087 0.000000 16.08657 
1 1 1   10   13    6 o  135.183   22.324   24.519   7.5441   14.590   13.463   29.063   9.1085  110.081   38.408  146.948   24.813 -36.86718 45.72599 
1 1 1   10   13    7 o  604.919   11.745  475.294   18.403  498.300   32.106  464.037   22.458  617.687   20.066  597.260   14.517 20.42706 24.76645 
1 1 1   10   13    8 o  167.069   21.519   37.097   9.0960   57.330   13.896   21.930   12.032  207.216   26.497  126.556   35.345 80.65955 44.17359 
1 1 1   10   13    9 o  323.302   14.504  136.022   12.147  134.200   18.151  137.500   16.346  319.396   22.075  323.845   19.579 -4.449646 29.50620 
1 1 1   10   13   10 o  247.506   14.148   79.977   9.0328   85.465   12.201   73.320   13.437  255.167   18.587  235.518   22.292 19.64890 29.02388 
1 1 1   10   13   11 o  489.857   10.364  311.635   13.150  309.963   19.032  313.162   18.191  487.801   15.063  490.447   14.319 -2.646484 20.78267 
1 1 1   10   13   12 o  281.455   12.156  103.012   8.8622  100.843   13.325  104.732   11.868  277.112   18.672  282.890   16.264 -5.778320 24.76201 
1 1 1   10   13   13 o  452.801   10.501  266.410   12.316  268.753   18.233  264.444   16.703  453.917   15.507  450.499   14.314 3.418030 21.10341 
1 1 1   10   13   14 o  311.845   11.651  126.503   9.4112  142.011   14.417  114.987   12.423  329.177   16.966  296.268   16.251 32.90970 23.49275 
1 1 1   10   13   15 o  295.349   11.258  113.489   8.6131   91.420   19.338  118.950   9.6199  260.273   29.187  302.241   12.288 -41.96848 31.66800 
1 1 1   10   13   16 o   72.214   25.699   6.0406   6.0504   1.9830   16.089   6.7090   6.5298   91.614   38.910   75.537   26.718 16.07638 47.19979 
1 1 1   10   13   17 o   63.751   24.830   3.4651   5.9041   3.0850   14.446   3.5413   6.4690   88.767   37.239   65.943   25.903 22.82313 45.36142 
1 1 1   10   13   18 o  378.732   10.710  186.854   10.507  162.600   22.110  193.930   11.942  348.195   24.674  385.561   11.957 -37.36557 27.41836 
1 1 1   10   13   19 o  298.290   11.570  116.116   8.9398  123.100   20.926  114.557   9.8875  300.993   27.132  296.010   12.895 4.982727 30.04008 
1 1 1   10   13   20 o   92.141   31.044   11.158   8.7755   0.0000   0.0000   11.158   8.7755  ?   ?    92.141   31.044 0.000000 31.04427 
1 1 1   10   13   21 o  138.367   19.539   25.911   6.8080   22.740   16.380   26.574   7.4851  126.010   42.413  139.585   21.383 -13.57487 47.49873 
1 1 1   10   13   22 o   60.342   24.596   2.2148   6.0599   9.3920   16.902   1.1561   6.4915  101.615   41.206   59.438   24.950 42.17639 48.17081 
1 1 1   10   13   23 o  216.049   14.080   61.684   7.8367   37.550   17.259   67.953   8.7957  156.520   41.786  226.479   15.079 -69.95938 44.42337 
1 1 1   10   13   24 o  106.442   24.356   16.013   6.5700   24.520   15.718   14.213   7.2321  127.466   41.502   99.780   27.224 27.68639 49.63494 
1 1 1   10   13   25 o  169.049   22.761   39.488   9.7134   36.220   16.441   41.240   12.039  152.255   40.843  170.060   28.327 -17.80519 49.70429 
1 1 1   10   13   26 o  371.626   11.207  181.343   10.788  164.000   23.110  186.175   12.199  342.298   26.264  375.905   12.529 -33.60733 29.09967 
1 1 1   10   13   27 o   57.613   24.847   0.2669   6.7478   0.0000   0.0000   0.2669   6.7478  ?   ?    57.613   24.847 0.000000 24.84669 
1 1 1   10   13   28 o  124.509   21.976   21.911   6.8285  -1.1370   16.459   26.703   7.5049   82.243   36.970  137.845   21.739 -55.60194 42.88806 
1 1 1   10   13   29 o  105.318   24.588   16.211   6.5858   18.160   15.057   15.751   7.3235  108.349   40.243  102.827   27.110 5.521172 48.52292 
1 1 1   10   13   30 o  152.423   18.374   32.130   7.1081   13.390   15.011   37.547   8.0701   98.467   39.209  164.381   19.322 -65.91354 43.71132 
1 1 1   10   13   31 o   58.341   26.774  -3.9752   9.2045   0.0000   0.0000  -3.9752   9.2045  ?   ?    58.341   26.774 0.000000 26.77383 
1 1 1   10   13   32 o  173.695   16.005   41.276   7.1200   28.830   15.959   44.369   7.9556  126.069   41.857  179.318   17.344 -53.24850 45.30812 
1 1 1   10   13   33 o  314.135   13.919  132.966   11.326  119.500   20.967  138.515   13.458  278.826   29.477  317.890   16.400 -39.06357 33.73203 
1 1 1   10   13   34 o  153.092   18.664   33.136   7.2482   29.140   10.135   37.319   10.370  135.140   29.758  156.366   26.552 -21.22629 39.88198 
1 1 1   10   13   35 o   53.693   23.861  -0.3993   6.6509   5.2575   9.5710  -5.6819   9.2490   72.064   30.275   54.707   25.687 17.35728 39.70396 
1 1 1   10   13   36 o   65.560   29.075   1.6413   9.8259  -8.2670   14.774   9.5000   13.158   65.354   31.202   82.973   35.211 -17.61955 47.04649 
1 1 1   10   13   37 o  126.578   24.264   24.954   7.6662   21.398   11.072   28.228   10.625  106.574   34.839  126.448   32.318 -19.87420 47.52020 
1 1 1   10   13   38 o   59.378   25.706   2.2972   7.2787   12.169   10.715  -6.1614   9.9184   83.865   33.211   54.612   25.929 29.25336 42.13375 
1 1 1   10   13   39 o  130.126   25.045   27.270   8.1355   28.682   11.792   25.988   11.239  120.340   35.439  115.023   34.771 5.316856 49.64855 
1 1 1   10   13   40 o   58.354   27.122  -1.6443   9.8899   9.5330   14.120 -12.4100   13.857   78.091   34.732   57.236   28.000 20.85471 44.61314 
1 1 1   10   13   41 o   69.467   27.758   7.7819   7.5488   11.969   11.164   4.2555   10.246   78.941   32.897   65.764   29.394 13.17747 44.11570 
1 1 1   10   14    0 o  434.786   12.100  245.575   13.627  237.492   17.087  259.700   22.588  427.165   15.443  446.031   19.551 -18.86588 24.91384 
1 1 1   10   14    1 o  345.152   12.805  154.817   11.448  154.954   14.620  154.600   18.405  344.934   16.363  343.345   20.793 1.588989 26.45923 
1 1 1   10   14    2 f  463.535   12.061  279.131   14.482  257.481   18.013  318.700   24.352  444.737   15.636  494.187   19.024 -49.44949 24.62509 
1 1 1   10   14    3 o  456.709   19.369  272.300   22.914   0.0000   0.0000  272.300   22.914  ?   ?   456.709   19.369 0.000000 19.36880 
1 1 1   10   14    4 o  612.190   19.754  489.500   31.325   0.0000   0.0000  489.500   31.325  ?   ?   612.190   19.754 0.000000 19.75389 
1 1 1   10   14    5 o  802.024   12.705  836.083   26.395  880.306   33.832  767.300   42.193  822.135   15.887  765.864   21.269 56.27045 26.54693 
1 1 1   10   14    6 o  467.809   10.579  284.164   12.820  290.493   18.422  278.220   17.851  472.372   15.056  462.309   14.907 10.06238 21.18690 
1 1 1   10   14    7 f  305.891   11.921  121.595   9.4459  146.939   14.378  102.351   12.529  335.742   16.533  279.587   17.386 56.15469 23.99197 
1 1 1   10   14    8 o  423.745   10.680  233.212   11.722  242.080   17.209  225.536   16.011  431.070   15.412  416.166   14.853 14.90411 21.40392 
1 1 1   10   14    9 o  187.643   15.691   46.208   7.5564   56.143   11.272   38.097   10.184  205.904   21.449  168.647   23.988 37.25740 32.17855 
1 1 1   10   14   10 o  108.991   24.611   16.246   6.7839   11.821   10.482   19.434   8.8989   98.211   33.911  118.810   29.138 -20.59818 44.71005 
1 1 1   10   14   11 o  365.596   11.253  173.754   10.657  165.602   15.712  180.700   14.503  356.065   17.036  372.290   15.039 -16.22534 22.72394 
1 1 1   10   14   12 o  475.700   10.572  294.117   13.027  274.961   18.598  312.570   18.253  458.986   15.643  489.659   14.391 -30.67319 21.25585 
1 1 1   10   14   13 o  393.464   11.037  201.347   11.249  199.494   16.767  202.864   15.169  390.629   16.570  394.277   14.853 -3.647888 22.25279 
1 1 1   10   14   14 o  177.584   17.565   41.709   7.9741   38.078   12.501   44.199   10.354  166.312   30.127  181.706   22.478 -15.39476 37.58875 
1 1 1   10   14   15 o  216.165   16.325   61.532   9.0735   69.900   18.125   58.733   10.481  225.609   31.905  210.432   19.449 15.17632 37.36542 
1 1 1   10   14   16 o  324.540   11.110  137.205   9.3393  128.100   20.109  139.709   10.546  308.920   25.354  327.249   12.441 -18.32883 28.24191 
1 1 1   10   14   17 o  328.486   11.233  140.677   9.5583  132.500   21.892  142.602   10.624  312.739   27.298  330.486   12.411 -17.74725 29.98674 
1 1 1   10   14   18 o   63.365   25.263   2.9908   6.2389   0.4366   17.463   3.3645   6.6797   91.538   39.723   65.905   26.183 25.63330 47.57547 
1 1 1   10   14   19 o  434.112   15.183  247.722   17.073   0.0000   0.0000  247.722   17.073  ?   ?   434.112   15.183 0.000000 15.18323 
1 1 1   10   14   20 o  282.143   14.839  104.990   10.807   97.710   21.765  107.372   12.450  263.354   32.602  284.553   16.968 -21.19922 36.75352 
1 1 1   10   14   21 o  293.874   11.664  113.024   8.8792  127.500   21.220  109.952   9.7762  304.187   27.219  289.478   13.038 14.70963 30.18074 
1 1 1   10   14   22 o  235.817   13.248   73.297   8.0599   72.040   18.337   73.598   8.9731  224.486   32.480  235.810   14.765 -11.32443 35.67803 
1 1 1   10   14   23 o   77.401   26.086   7.8814   6.1962   1.2390   17.046   8.8927   6.6512   89.280   38.988   81.437   27.021 7.843536 47.43586 
1 1 1   10   14   24 o  150.688   25.714   32.040   9.6765   22.490   15.962   37.590   12.167  122.162   41.865  161.149   30.260 -38.98680 51.65575 
1 1 1   10   14   25 o  108.328   24.316   16.749   6.6558  -3.9410   15.133   21.710   7.4110   77.507   35.088  123.828   23.971 -46.32176 42.49475 
1 1 1   10   14   26 o  175.298   18.424   41.850   8.2407   0.0000   0.0000   41.850   8.2407  ?   ?   175.298   18.424 0.000000 18.42399 
1 1 1   10   14   27 o  163.397   17.609   36.402   7.3353   2.9860   16.538   44.585   8.1843   87.322   38.260  180.957   17.687 -93.63593 42.15024 
1 1 1   10   14   28 o  304.185   11.872  122.386   9.3543  125.600   18.953  121.351   10.756  297.123   24.854  301.820   13.757 -4.697662 28.40764 
1 1 1   10   14   29 o  110.588   23.368   17.779   6.4842   11.760   14.214   19.361   7.2866   94.819   38.019  114.577   25.234 -19.75806 45.63067 
1 1 1   10   14   30 o  172.424   24.652   43.211   10.697   0.0000   0.0000   43.211   10.697  ?   ?   172.424   24.652 0.000000 24.65216 
1 1 1   10   14   31 o   59.416   24.896   2.1522   6.4442   10.330   14.251   0.0502   7.2251   90.712   37.431   57.677   25.279 33.03448 45.16801 
1 1 1   10   14   32 o   68.324   26.394   5.5874   6.6295   12.090   15.733   4.1836   7.3102   93.876   39.081   66.330   27.023 27.54580 47.51390 
1 1 1   10   14   33 o   87.802   27.348   11.968   6.8875  -3.1990   15.955   15.442   7.6357   74.389   34.533   98.704   28.362 -24.31475 44.68647 
1 1 1   10   14   34 o  113.801   28.648   20.876   8.4389   25.880   16.868   19.206   9.7462  113.159   42.483  106.176   32.443 6.983337 53.45434 
1 1 1   10   14   35 o   78.241   31.495   8.6024   9.7967   24.940   14.738  -4.3310   13.113  111.161   40.051   65.612   30.736 45.54819 50.48574 
1 1 1   10   14   36 o   67.214   27.869   5.0592   7.9549 -22.0000   15.505   14.726   9.2674   57.039   28.232   91.621   31.872 -34.58173 42.57769 
1 1 1   10   14   37 o   78.148   27.790   9.9543   7.0734   19.732   10.946   2.9430   9.2688  101.188   34.668   65.074   28.574 36.11417 44.92614 
1 1 1   10   14   38 o   60.813   25.994   3.2618   7.2645  -9.4223   10.832   13.630   9.7935   53.495   25.841   86.222   32.370 -32.72730 41.41983 
1 1 1   10   14   39 o   47.279   22.394  -4.9133   7.3136 -16.0642   10.841   4.3996   9.9077   47.997   23.729   66.976   29.473 -18.97921 37.83815 
1 1 1   10   14   40 o   73.553   30.292   9.0738   9.3105  -4.5639   11.749   32.090   15.264   58.437   27.879  111.656   40.678 -53.21911 49.31489 
1 1 1   10   14   41 o   60.362   26.283   3.8651   7.6962 -19.5744   10.846   27.639   10.923   44.699   22.361  113.437   34.277 -68.73778 40.92562 
1 1 1   10   15    0 o  310.563   11.927  125.338   9.5949  113.990   13.887  135.703   13.272  294.952   18.266  322.731   15.877 -27.77835 24.20171 
1 1 1   10   15    1 o  334.503   17.615  146.384   15.209  146.384   15.209   0.0000   0.0000  334.503   17.615  ?   ?  0.000000 17.61460 
1 1 1   10   15    2 o  469.877   10.623  286.724   12.930  276.034   18.502  296.928   18.076  460.328   15.517  477.588   14.611 -17.26044 21.31347 
1 1 1   10   15    3 o  444.254   10.803  256.341   12.431  236.536   17.628  275.932   17.533  426.031   15.974  460.361   14.703 -34.33014 21.71061 
1 1 1   10   15    4 o  541.405   10.433  380.661   14.631  400.072   21.506  363.934   19.964  554.244   14.980  528.697   14.578 25.54700 20.90197 
1 1 1   10   15    5 o  254.404   13.217   84.422   8.6801   89.306   13.087   80.585   11.598  260.618   19.528  247.745   18.201 12.87263 26.69459 
1 1 1   10   15    6 f  191.104   16.293   47.969   7.9881   53.190   12.126   43.966   10.617  199.799   23.905  181.580   23.096 18.21883 33.23988 
1 1 1   10   15    7 f  165.895   18.401   36.403   7.7738   36.011   11.640   36.719   10.445  162.678   28.671  165.156   25.214 -2.478119 38.18037 
1 1 1   10   15    8 o  327.574   11.695  139.521   9.9236  141.268   14.574  138.010   13.550  328.438   17.191  325.231   16.084 3.206543 23.54181 
1 1 1   10   15    9 o  467.095   10.500  283.516   12.704  288.559   18.546  279.057   17.438  470.371   15.221  462.701   14.549 7.669983 21.05626 
1 1 1   10   15   10 o   58.113   24.916  -0.2198   6.7109   1.8546   10.454  -1.6737   8.7522   75.982   31.763   63.684   27.870 12.29871 42.25659 
1 1 1   10   15   11 o  205.517   15.100   55.423   7.9823   62.555   12.357   50.316   10.457  216.833   22.320  194.531   21.090 22.30286 30.70739 
1 1 1   10   15   12 o  197.078   16.107   51.118   8.1507   38.839   12.643   59.851   10.662  168.033   30.154  212.593   19.582 -44.55952 35.95479 
1 1 1   10   15   13 o  227.064   14.471   67.610   8.4667   71.269   13.203   65.054   11.034  231.238   22.320  221.614   19.418 9.623810 29.58412 
1 1 1   10   15   14 o   91.362   28.421   11.201   7.4413   13.737   11.440   9.3409   9.7968  103.412   35.443   89.829   32.610 13.58263 48.16246 
1 1 1   10   15   15 o  158.945   19.523   33.811   7.8688   26.226   11.888   39.727   10.498  135.894   33.887  171.059   24.382 -35.16441 41.74704 
1 1 1   10   15   16 o  115.293   21.508   18.184   6.1870   24.580   17.900   17.317   6.5933  132.225   44.339  111.972   23.482 20.25217 50.17295 
1 1 1   10   15   17 o   74.922   26.149   6.8894   6.2407 -13.4200   16.080   10.491   6.7715   72.792   34.079   87.816   27.078 -15.02351 43.52714 
1 1 1   10   15   18 o  482.731   14.994  306.381   18.748   0.0000   0.0000  306.381   18.748  ?   ?   482.731   14.994 0.000000 14.99354 
1 1 1   10   15   19 o  173.532   19.655   40.574   8.6790   5.3660   16.761   53.473   10.145   95.471   40.084  199.400   19.908 -103.9289 44.75558 
1 1 1   10   15   20 o  228.190   13.472   68.640   7.9279   70.590   18.550   68.204   8.7691  222.102   33.268  226.990   14.999 -4.888016 36.49271 
1 1 1   10   15   21 o  196.586   14.887   51.276   7.5243   26.910   16.975   57.234   8.3939  133.074   43.118  207.468   15.736 -74.39401 45.89958 
1 1 1   10   15   22 o   51.518   22.783  -1.4017   5.9918   20.950   16.912  -4.6101   6.4074  120.195   42.946   47.775   22.074 72.41945 48.28666 
1 1 1   10   15   23 f   62.987   27.589  -0.7283   8.5934   5.5360   15.495  -3.5110   10.327   91.142   38.418   64.603   29.140 26.53924 48.21878 
1 1 1   10   15   24 o   42.176   19.898  -5.8201   5.6694 -20.7600   15.362  -3.4645   6.1000   62.965   30.502   47.964   21.932 15.00069 37.56842 
1 1 1   10   15   25 o  125.226   24.071   22.354   7.5244   0.0000   0.0000   22.354   7.5244  ?   ?   125.226   24.071 0.000000 24.07124 
1 1 1   10   15   26 o  103.555   25.475   15.669   6.7864  -5.9520   16.802   19.884   7.4184   77.900   35.906  117.009   25.219 -39.10942 43.87731 
1 1 1   10   15   27 o  108.794   24.619   17.291   6.7758  -1.2130   14.385   22.568   7.6814   76.861   34.555  124.658   24.662 -47.79683 42.45347 
1 1 1   10   15   28 o  173.666   16.823   41.218   7.4730   30.810   15.484   44.378   8.5324  133.645   40.903  179.207   18.654 -45.56230 44.95620 
1 1 1   10   15   29 o  187.773   15.683   47.963   7.5581   42.450   16.764   49.370   8.4676  156.118   40.946  189.463   17.450 -33.34499 44.50977 
1 1 1   10   15   30 o   45.984   22.025  -8.6299   7.4917   3.3040   14.475 -12.9962   8.7556   80.678   35.558   46.530   22.652 34.14847 42.16042 
1 1 1   10   15   31 o   90.626   26.990   12.609   6.8086   26.060   15.125   9.1899   7.6249  119.432   40.753   79.928   28.807 39.50387 49.90675 
1 1 1   10   15   32 o   71.701   27.176   6.7671   6.9402   21.090   17.006   3.9049   7.6021  107.124   42.024   65.952   27.287 41.17195 50.10523 
1 1 1   10   15   33 o   38.512   18.939 -11.8109   6.6002  -0.2514   15.034 -14.5706   7.3460   74.691   34.255   39.240   19.424 35.45131 39.37878 
1 1 1   10   15   34 o   56.963   25.893  -1.5523   8.3452   29.780   15.461 -14.4322   9.9131  120.300   41.204   48.124   23.573 72.17579 47.46992 
1 1 1   10   15   35 o   57.577   25.199   1.2367   7.1568  -6.7220   13.997   4.0539   8.3276   64.379   30.635   65.913   27.994 -1.534462 41.49878 
1 1 1   10   15   36 o  104.318   28.066   18.403   7.7499   7.4750   16.304   21.593   8.8087   80.460   36.423  111.465   29.893 -31.00493 47.11938 
1 1 1   10   15   37 o   97.342   28.443   16.478   7.6220   33.260   17.685   12.650   8.4467  114.199   43.358   84.510   30.334 29.68970 52.91594 
1 1 1   10   15   38 o  130.522   29.122   29.757   9.5959   21.310   17.637   33.310   11.437   93.676   40.284  132.497   33.348 -38.82114 52.29659 
1 1 1   10   15   39 o   67.640   27.692   6.7396   7.7237   5.0330   11.223   8.2751   10.646   68.659   30.720   73.064   31.355 -4.404739 43.89621 
1 1 1   10   15   40 o   59.084   26.076   2.9228   7.8103   4.8272   11.316   1.1905   10.793   67.030   30.344   61.782   28.582 5.248554 41.68550 
1 1 1   10   16    0 o  283.734   12.961  104.749   9.5255  108.732   14.566  101.773   12.591  287.565   19.673  278.605   17.536 8.959961 26.35446 
1 1 1   10   16    1 o  303.716   12.467  119.983   9.8083  108.332   14.231  130.527   13.537  287.120   19.246  315.830   16.606 -28.71072 25.41935 
1 1 1   10   16    2 o  204.105   15.937   54.661   8.3592   53.506   12.259   55.664   11.428  200.262   24.118  204.831   21.877 -4.569031 32.56200 
1 1 1   10   16    3 f  435.332   15.956  247.222   17.993  247.222   17.993   0.0000   0.0000  435.332   15.956  ?   ?  0.000000 15.95620 
1 1 1   10   16    4 o  601.032   10.631  469.395   16.552  476.357   23.905  462.983   22.940  604.424   15.268  595.985   14.860 8.439209 21.30567 
1 1 1   10   16    5 o  480.771   10.757  300.397   13.397  293.829   19.352  306.440   18.564  474.555   15.743  484.843   14.781 -10.28796 21.59483 
1 1 1   10   16    6 o  231.082   14.423   69.869   8.5903   76.762   13.065   64.620   11.401  240.905   21.151  221.112   20.127 19.79344 29.19684 
1 1 1   10   16    7 o   63.433   26.453   1.2544   7.2259  -0.4788   10.798   2.6599   9.7239   73.048   31.467   75.183   30.959 -2.134804 44.14363 
1 1 1   10   16    8 o  190.601   16.766   47.854   8.1932   46.208   12.199   49.207   11.059  185.052   26.180  191.993   22.674 -6.941223 34.63378 
1 1 1   10   16    9 o  174.591   17.309   40.280   7.7249   37.949   11.856   42.000   10.183  166.631   28.493  177.084   22.724 -10.45259 36.44466 
1 1 1   10   16   10 o  361.684   11.467  170.279   10.743  161.119   15.606  178.529   14.811  350.729   17.178  369.583   15.471 -18.85410 23.11789 
1 1 1   10   16   11 o  349.556   11.667  159.142   10.564  177.032   16.001  145.321   14.064  367.581   16.805  333.150   16.298 34.43063 23.41010 
1 1 1   10   16   12 o  356.637   11.978  165.790   11.065  149.795   16.206  179.758   15.145  336.978   18.639  370.486   15.781 -33.50745 24.42250 
1 1 1   10   16   13 o  339.697   12.296  150.563   10.819  152.767   15.933  148.678   14.738  340.240   18.144  336.028   16.987 4.212097 24.85521 
1 1 1   10   16   14 f  463.227   11.108  279.767   13.328  284.817   19.624  275.443   18.159  465.625   16.271  458.274   15.297 7.350616 22.33262 
1 1 1   10   16   15 o  253.666   14.143   84.580   9.2561   85.210   13.939   84.082   12.380  252.205   21.543  251.390   19.155 0.8150177 28.82759 
1 1 1   10   16   16 o   96.793   28.510   13.044   7.6307   9.1060   12.602   15.324   9.5886   93.851   36.352  104.727   32.210 -10.87622 48.56936 
1 1 1   10   16   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   16   18 o  170.602   17.189   38.915   7.4924   53.310   17.895   35.855   8.2504  190.260   37.643  162.792   19.985 27.46889 42.61906 
1 1 1   10   16   19 o  129.563   21.309   23.078   6.9028   33.800   16.456   20.788   7.6041  148.688   41.268  121.615   24.975 27.07326 48.23669 
1 1 1   10   16   20 o   54.661   23.416   0.1992   5.9186  -4.8410   14.828   1.1544   6.4550   76.746   34.739   59.042   24.837 17.70376 42.70475 
1 1 1   10   16   21 o  131.518   29.223   25.037   9.6971   28.670   17.911   23.530   11.534  135.370   44.314  125.576   34.429 9.793854 56.11672 
1 1 1   10   16   22 o   52.276   24.468  -7.0635   8.2796  -9.9310   14.975  -5.8010   9.9364   71.086   33.151   60.118   27.674 10.96753 43.18340 
1 1 1   10   16   23 o  159.095   18.027   34.383   7.2979   34.430   18.753   34.374   7.9224  144.278   45.156  158.359   19.742 -14.08133 49.28310 
1 1 1   10   16   24 o  127.567   24.247   23.237   7.7192   0.0000   0.0000   23.237   7.7192  ?   ?   127.567   24.247 0.000000 24.24668 
1 1 1   10   16   25 o   63.874   26.285   2.8495   7.0040   0.0000   0.0000   2.8495   7.0040  ?   ?    63.874   26.285 0.000000 26.28544 
1 1 1   10   16   26 o   69.793   26.434   5.7209   6.5637   7.6760   14.437   5.2115   7.3693   89.029   37.281   70.313   27.638 18.71614 46.40830 
1 1 1   10   16   27 o  148.448   18.916   30.651   7.1083   15.200   16.024   34.436   7.9314  102.030   40.547  156.866   19.973 -54.83589 45.19954 
1 1 1   10   16   28 o  174.677   17.090   41.950   7.6336   21.530   16.934   47.158   8.5517  112.067   42.456  184.642   18.113 -72.57489 46.15891 
1 1 1   10   16   29 o   53.485   25.275  -7.6393   9.2157   0.0000   0.0000  -7.6393   9.2157  ?   ?    53.485   25.275 0.000000 25.27496 
1 1 1   10   16   30 o  159.236   18.294   35.498   7.4085   33.770   16.140   35.959   8.3389  134.474   41.861  158.606   20.799 -24.13231 46.74294 
1 1 1   10   16   31 o  165.736   18.044   38.549   7.6212   38.150   17.658   38.641   8.4486  138.677   43.876  164.328   20.279 -25.65051 48.33542 
1 1 1   10   16   32 o  104.259   26.138   17.017   7.0457  -6.2550   15.237   23.346   7.9462   69.228   32.649  122.929   25.778 -53.70119 41.59881 
1 1 1   10   16   33 o  142.702   25.384   31.508   9.0392   46.960   16.557   24.947   10.789  155.359   40.668  118.856   33.567 36.50245 52.73149 
1 1 1   10   16   34 o  126.455   27.813   26.128   8.8628   19.610   16.343   28.843   10.549   98.220   40.254  128.754   31.813 -30.53397 51.30795 
1 1 1   10   16   35 o  134.683   24.295   28.484   8.1638 -11.4800   17.884   39.004   9.1756   66.756   32.470  159.483   22.865 -92.72779 39.71338 
1 1 1   10   16   36 o   42.399   20.613  -9.1649   7.1823 -12.6200   15.792  -8.2639   8.0646   61.640   30.099   46.421   22.393 15.21910 37.51479 
1 1 1   10   16   37 o   63.224   26.976   4.2303   7.7982   11.400   17.870   2.5439   8.6670   82.269   37.587   61.830   27.369 20.43881 46.49596 
1 1 1   10   16   38 o   60.717   26.348   3.4177   7.6826   11.730   16.701   1.1866   8.6524   80.418   36.584   58.931   26.618 21.48704 45.24317 
1 1 1   10   16   39 o   58.546   27.336  -0.8427   10.231   0.0000   0.0000  -0.8427   10.231  ?   ?    58.546   27.336 0.000000 27.33594 
1 1 1   10   16   40 o  119.345   30.729   28.087   9.5563   30.740   18.216   27.080   11.225   95.234   40.947  108.476   35.053 -13.24239 53.90163 
1 1 1   10   17    0 o  251.443   14.547   82.720   9.4345   65.116   13.801   98.165   12.927  220.784   24.547  273.209   18.373 -52.42456 30.66146 
1 1 1   10   17    1 o  893.367   11.768  1038.37   27.231  1022.57   38.493  1054.20   38.528  884.465   16.802  898.159   16.561 -13.69409 23.59128 
1 1 1   10   17    2 o  342.660   12.023  152.802   10.672  146.895   15.046  158.782   15.139  334.655   17.417  348.514   16.770 -13.85867 24.17806 
1 1 1   10   17    3 o  462.686   10.937  278.383   13.108  286.224   19.084  271.381   18.035  468.150   15.738  455.961   15.270 12.18951 21.92836 
1 1 1   10   17    4 o  231.782   14.615   70.365   8.7296   58.464   13.250   79.494   11.604  208.830   24.991  245.653   18.370 -36.82310 31.01576 
1 1 1   10   17    5 o  185.034   17.414   45.205   8.2480   43.683   12.256   46.465   11.151  179.433   27.224  186.160   23.659 -6.726654 36.06822 
1 1 1   10   17    6 o  184.511   17.303   44.959   8.1732   49.200   12.509   41.799   10.797  190.922   25.967  176.186   24.305 14.73529 35.56666 
1 1 1   10   17    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   17    8 o  454.298   15.190  269.818   17.875   0.0000   0.0000  269.818   17.875  ?   ?   454.298   15.190 0.000000 15.19024 
1 1 1   10   17    9 o  522.522   10.866  355.424   14.707  342.056   20.893  368.553   20.706  511.160   15.779  530.842   15.058 -19.68259 21.81132 
1 1 1   10   17   10 o  255.168   14.177   85.373   9.3338   75.232   13.404   94.919   13.005  237.389   22.051  267.876   18.863 -30.48724 29.01785 
1 1 1   10   17   11 o  213.080   15.745   59.849   8.6290   65.924   12.769   54.742   11.707  221.741   22.545  201.789   22.796 19.95158 32.06146 
1 1 1   10   17   12 o  268.987   13.873   94.937   9.6328   86.969   14.068  101.971   13.217  255.100   21.490  277.431   18.499 -22.33072 28.35538 
1 1 1   10   17   13 o  158.774   21.525   34.101   8.6243   26.929   12.885   39.922   11.608  136.565   35.937  170.009   27.282 -33.44426 45.11938 
1 1 1   10   17   14 o  164.882   20.133   36.621   8.4201   35.737   13.527   37.180   10.758  157.674   34.112  164.066   26.196 -6.392258 43.01030 
1 1 1   10   17   15 o  260.954   17.261   90.407   11.602  114.000   21.927   81.234   13.673  286.515   29.989  245.545   21.721 40.96951 37.02867 
1 1 1   10   17   16 o  247.271   24.416   83.462   15.434   80.890   20.897   86.550   22.894  237.236   35.063  243.916   37.431 -6.679596 51.28820 
1 1 1   10   17   17 o   82.008   30.319   7.8726   8.5266   23.510   18.962   3.9091   9.5462  127.448   45.481   75.378   30.814 52.07035 54.93647 
1 1 1   10   17   18 o   64.393   25.391   3.5865   6.2380   2.7800   16.295   3.7249   6.7524   89.892   38.690   66.432   26.346 23.46021 46.80825 
1 1 1   10   17   19 o  144.286   19.915   28.422   7.2448   12.730   18.844   31.144   7.8480  108.035   43.613  150.878   20.621 -42.84253 48.24237 
1 1 1   10   17   20 o   73.028   29.947   3.7577   9.0511 -13.6900   17.018   10.640   10.688   73.267   34.538   91.793   33.943 -18.52650 48.42545 
1 1 1   10   17   21 o  196.207   15.323   51.422   7.7259   56.750   17.767   50.180   8.5794  193.457   36.801  192.988   17.348 0.4690399 40.68439 
1 1 1   10   17   22 o  120.508   21.959   20.401   6.6020 -10.6500   15.612   27.163   7.2854   71.492   33.505  140.015   20.713 -68.52329 39.39072 
1 1 1   10   17   23 o  102.754   27.121   15.520   7.3240   0.0000   0.0000   15.520   7.3240  ?   ?   102.754   27.121 0.000000 27.12051 
1 1 1   10   17   24 o   65.816   26.801   3.4770   7.1866   0.0000   0.0000   3.4770   7.1866  ?   ?    65.816   26.801 0.000000 26.80145 
1 1 1   10   17   25 o   61.319   25.244   2.6674   6.4634   4.5070   15.067   2.2525   7.1552   85.226   36.940   62.588   26.230 22.63750 45.30550 
1 1 1   10   17   26 o   39.155   19.034  -9.5893   6.1213 -14.4500   15.664  -8.7132   6.6501   66.296   31.779   42.531   20.470 23.76471 37.80141 
1 1 1   10   17   27 o  184.868   16.304   46.766   7.7273   37.490   16.891   49.221   8.6900  143.846   42.431  188.606   18.006 -44.75940 46.09335 
1 1 1   10   17   28 o  170.068   19.657   40.756   8.4998   0.0000   0.0000   40.756   8.4998  ?   ?   170.068   19.657 0.000000 19.65682 
1 1 1   10   17   29 o  240.902   15.921   79.530   9.8791   69.750   18.239   83.590   11.752  204.948   35.652  244.495   18.698 -39.54692 40.25770 
1 1 1   10   17   30 o  100.437   26.328   15.688   6.9330  -1.4720   14.907   20.424   7.8315   73.956   33.989  114.560   26.858 -40.60390 43.31970 
1 1 1   10   17   31 o  117.138   25.084   21.106   7.3816   19.390   16.800   21.516   8.2172  102.055   41.187  116.320   27.674 -14.26534 49.62080 
1 1 1   10   17   32 o   92.383   30.104   14.277   8.2693   20.250   15.229   11.779   9.8476  101.838   39.818   85.347   32.366 16.49060 51.31333 
1 1 1   10   17   33 o  128.828   32.745   29.402   10.951   25.230   16.357   32.790   14.742  107.301   41.457  125.689   40.125 -18.38759 57.69465 
1 1 1   10   17   34 f  108.457   27.159   19.577   7.6130   23.850   16.581   18.435   8.5698  102.201   41.032  102.162   30.247 0.3880310E-01 50.97570 
1 1 1   10   17   35 o   69.726   27.570   7.1570   7.3740 -12.1400   16.984   11.640   8.1859   63.800   31.167   81.681   29.785 -17.88109 43.11021 
1 1 1   10   17   36 o   49.580   23.058  -2.7714   7.1656  -7.0110   15.805  -1.6745   8.0393   64.438   31.148   53.758   24.799 10.68016 39.81451 
1 1 1   10   17   37 o   58.544   25.740   2.4322   7.5432 -13.0300   16.765   6.3571   8.4465   61.141   30.089   67.580   28.419 -6.439457 41.38843 
1 1 1   10   17   38 o   57.307   25.931   1.2271   8.2531   0.0000   0.0000   1.2271   8.2531  ?   ?    57.307   25.931 0.000000 25.93067 
1 1 1   10   17   39 o   91.679   30.210   17.073   8.3190   38.520   17.879   11.147   9.3984  107.555   42.802   75.081   30.620 32.47392 52.62748 
1 1 1   10   18    0 o  320.163   12.640  133.597   10.482  137.137   15.745  130.779   14.048  322.592   18.926  315.461   17.257 7.130615 25.61218 
1 1 1   10   18    1 o  275.457   14.112   99.303   10.035  104.695   15.009   94.943   13.495  281.193   20.753  268.037   19.573 13.15625 28.52699 
1 1 1   10   18    2 o  398.171   11.758  206.476   12.127  177.855   17.341  233.869   16.965  368.131   18.185  422.903   15.487 -54.77188 23.88586 
1 1 1   10   18    3 o  178.735   18.764   42.411   8.5579   39.744   12.839   44.544   11.480  169.721   30.316  181.550   25.082 -11.82977 39.34657 
1 1 1   10   18    4 f  556.829   10.895  403.582   15.715  381.928   22.200  425.329   22.248  540.180   15.866  570.343   15.059 -30.16315 21.87496 
1 1 1   10   18    5 f  509.275   15.982  339.643   21.083  339.643   21.083   0.0000   0.0000  509.275   15.982  ?   ?  0.000000 15.98222 
1 1 1   10   18    6 o  546.656   10.872  389.105   15.395  383.038   22.093  394.831   21.464  540.790   15.772  549.312   15.085 -8.522644 21.82409 
1 1 1   10   18    7 o  592.887   10.997  457.881   16.888  479.222   24.636  438.962   23.196  604.744   15.727  578.894   15.469 25.85040 22.05950 
1 1 1   10   18    8 o  359.208   12.099  168.346   11.258  157.958   16.349  177.712   15.524  345.860   18.314  367.974   16.287 -22.11380 24.50869 
1 1 1   10   18    9 o  169.052   19.715   38.259   8.4707   44.773   13.013   33.471   11.158  179.999   28.887  155.148   28.827 24.85159 40.80987 
1 1 1   10   18   10 o  136.710   24.131   25.678   8.2330   36.541   13.031   18.462   10.621  160.706   32.423  114.407   33.618 46.29868 46.70533 
1 1 1   10   18   11 o  244.628   14.609   78.792   9.2146   70.934   13.578   85.500   12.546  229.214   23.187  253.376   19.260 -24.16245 30.14311 
1 1 1   10   18   12 o  261.344   19.563   91.169   13.147   0.0000   0.0000   91.169   13.147  ?   ?   261.344   19.563 0.000000 19.56260 
1 1 1   10   18   13 o  111.479   32.774   17.743   10.093   6.3400   18.984   22.236   11.916  101.370   42.616  123.729   35.394 -22.35830 55.39737 
1 1 1   10   18   14 o  104.003   38.378   13.641   13.649   18.010   19.677   9.5880   18.950  119.173   45.617  105.297   43.272 13.87627 62.87635 
1 1 1   10   18   15 o  104.579   30.646   15.634   8.8373   12.008   13.543   18.323   11.663  100.140   37.960  112.731   35.657 -12.59130 52.08100 
1 1 1   10   18   16 o   99.511   30.235   14.081   8.4816   0.2204   13.442   23.249   10.932   79.568   34.687  125.768   33.106 -46.20005 47.95006 
1 1 1   10   18   17 o   99.282   30.819   14.050   8.7552   8.0930   18.717   15.719   9.9057  101.243   42.426  104.525   32.836 -3.282600 53.64863 
1 1 1   10   18   18 o  159.402   26.238   35.876   10.457   36.310   19.102   35.690   12.495  150.044   45.326  156.036   31.989 -5.991913 55.47713 
1 1 1   10   18   19 o   78.467   27.850   7.8738   7.1010   38.910   17.103   1.4092   7.8056  156.602   41.497   64.149   27.166 92.45245 49.59794 
1 1 1   10   18   20 o  143.573   19.955   28.371   7.2207   20.870   18.953   29.645   7.8097  118.715   44.930  146.265   21.234 -27.55022 49.69469 
1 1 1   10   18   21 o  148.309   18.910   30.169   7.0992   1.7010   17.734   35.601   7.7470   88.810   39.239  161.279   18.903 -72.46890 43.55457 
1 1 1   10   18   22 o  106.854   27.377   16.885   7.6118   0.0000   0.0000   16.885   7.6118  ?   ?   106.854   27.377 0.000000 27.37732 
1 1 1   10   18   23 o   59.011   25.257   0.9550   6.8744   0.0000   0.0000   0.9550   6.8744  ?   ?    59.011   25.257 0.000000 25.25707 
1 1 1   10   18   24 o   78.824   26.621   8.7830   6.4530 -16.0800   15.317   14.148   7.1153   64.490   31.045   97.068   27.206 -32.57860 41.27927 
1 1 1   10   18   25 o   61.022   25.074   2.8427   6.3612  -4.5700   15.045   4.4564   7.0195   73.353   33.868   66.911   26.757 6.442062 43.16197 
1 1 1   10   18   26 o   59.304   25.005   1.9470   6.5674  -8.6120   15.412   4.2897   7.2595   69.732   32.871   66.776   27.030 2.955597 42.55751 
1 1 1   10   18   27 o   64.105   26.546   3.3434   7.2042   0.0000   0.0000   3.3434   7.2042  ?   ?    64.105   26.546 0.000000 26.54598 
1 1 1   10   18   28 o  172.441   20.576   42.520   9.0093   40.880   17.153   43.145   10.587  146.583   42.622  170.346   24.715 -23.76262 49.26988 
1 1 1   10   18   29 o   77.949   26.811   9.0861   6.5493   19.980   15.310   6.6460   7.2457  104.533   40.185   71.564   27.609 32.96886 48.75505 
1 1 1   10   18   30 o   74.520   26.901   8.1399   6.6532   1.5570   14.955   9.7644   7.4289   76.105   34.621   79.879   28.472 -3.774719 44.82431 
1 1 1   10   18   31 o   57.724   25.745   0.0070   7.8152  -2.8830   15.021   1.0797   9.1514   70.577   33.009   63.106   28.019 7.471298 43.29750 
1 1 1   10   18   32 o  143.427   31.075   35.212   11.211   41.230   16.928   30.510   14.964  137.102   42.901  119.604   40.537 17.49713 59.02349 
1 1 1   10   18   33 o  123.140   25.093   24.281   7.7322   27.240   16.481   23.446   8.7557  107.540   41.596  116.949   29.037 -9.409294 50.72815 
1 1 1   10   18   34 o   69.734   27.625   7.2078   7.4163  -2.2540   16.084   9.7627   8.3578   69.207   32.905   76.613   29.625 -7.405762 44.27608 
1 1 1   10   18   35 o   73.778   28.115   9.0684   7.4533   12.430   16.500   8.2066   8.3541   82.248   36.990   72.068   29.058 10.17978 47.03911 
1 1 1   10   18   36 o   63.668   27.142   4.8550   7.8816   5.0330   16.141   4.7993   9.0315   73.122   34.205   65.252   28.440 7.870346 44.48379 
1 1 1   10   18   37 o   38.647   19.164 -12.7672   7.2658   4.1780   16.775 -16.6806   8.0613   71.303   33.815   38.590   19.301 32.71342 38.93516 
1 1 1   10   18   38 o   46.579   23.083 -14.2553   10.484   0.0000   0.0000 -14.2553   10.484  ?   ?    46.579   23.083 0.000000 23.08305 
1 1 1   10   18   39 o   47.581   23.298  -8.9824   9.6587   22.960   17.317 -23.4075   11.637   83.628   37.726   43.591   21.986 40.03734 43.66519 
1 1 1   10   19    0 o  545.602   16.299  390.555   23.035  390.555   23.035   0.0000   0.0000  545.602   16.299  ?   ?  0.000000 16.29913 
1 1 1   10   19    1 o  579.187   11.228  437.164   16.844  439.734   24.491  434.857   23.204  578.898   16.332  576.027   15.551 2.870789 22.55211 
1 1 1   10   19    2 o  545.134   11.239  387.307   15.871  376.370   22.764  397.651   22.139  535.487   16.411  550.805   15.517 -15.31824 22.58547 
1 1 1   10   19    3 o  337.998   12.604  149.161   11.035  160.934   16.481  139.595   14.856  349.081   18.290  325.253   17.700 23.82858 25.45220 
1 1 1   10   19    4 o  334.423   12.651  146.064   10.959  147.365   16.009  144.917   15.034  333.814   18.589  331.385   17.577 2.428864 25.58311 
1 1 1   10   19    5 o  287.741   13.993  108.373   10.429  100.220   15.380  115.312   14.190  273.837   21.865  295.051   18.663 -21.21417 28.74705 
1 1 1   10   19    6 o  236.879   15.633   73.984   9.5385   84.436   14.344   65.698   12.771  250.919   22.302  220.993   22.630 29.92517 31.77223 
1 1 1   10   19    7 o  343.318   12.759  154.131   11.346  153.187   16.815  154.920   15.374  339.717   19.188  342.376   17.392 -2.659546 25.89713 
1 1 1   10   19    8 o  325.148   13.044  138.383   10.986  126.152   16.080  149.090   15.044  307.535   20.299  335.709   17.360 -28.17426 26.71023 
1 1 1   10   19    9 o  289.137   14.033  109.684   10.510  107.734   15.713  111.262   14.138  283.347   21.570  289.098   18.985 -5.751770 28.73539 
1 1 1   10   19   10 f  132.571   29.834   25.029   9.9973   53.590   19.582   14.961   11.627  189.620   41.057  105.041   35.732 84.57950 54.42830 
1 1 1   10   19   11 o  327.009   19.881  143.064   16.760  158.200   24.106  128.900   23.319  338.974   27.697  304.245   29.979 34.72870 40.81474 
1 1 1   10   19   12 o  238.541   20.213   76.575   12.372   71.622   14.805   88.040   22.527  228.152   25.487  246.267   36.411 -18.11507 44.44493 
1 1 1   10   19   13 o  212.720   17.621   60.522   9.6220   53.188   14.310   66.576   13.000  193.974   29.401  220.766   23.074 -26.79155 37.37397 
1 1 1   10   19   14 o  302.171   13.958  120.326   10.925  103.365   16.287  134.201   14.731  275.182   23.062  316.840   18.024 -41.65839 29.27008 
1 1 1   10   19   15 o  404.946   13.969  216.310   14.652  199.000   26.254  224.141   17.658  378.396   26.962  410.677   16.600 -32.28107 31.66188 
1 1 1   10   19   16 o  214.266   21.813   62.838   11.938   62.040   20.154   63.270   14.816  200.957   40.123  211.665   27.687 -10.70770 48.74857 
1 1 1   10   19   17 f  322.100   14.676  137.459   12.245  133.274   16.492  142.600   18.279  313.301   20.434  322.961   21.981 -9.660767 30.01169 
1 1 1   10   19   18 o   89.943   28.824   11.472   7.6020   16.562   11.603   7.6433   10.063  106.154   35.696   83.275   32.421 22.87804 48.22192 
1 1 1   10   19   19 o   76.375   27.004   7.5829   6.6699   13.390   17.823   6.6371   7.1926  104.867   42.387   74.582   27.792 30.28561 50.68549 
1 1 1   10   19   20 o  180.148   17.095   44.009   7.8816   59.320   21.468   41.624   8.4733  187.681   44.783  174.206   19.090 13.47527 48.68206 
1 1 1   10   19   21 o  232.422   15.248   72.601   9.1293   0.0000   0.0000   72.601   9.1293  ?   ?   232.422   15.248 0.000000 15.24844 
1 1 1   10   19   22 o  164.117   19.497   37.403   8.1263   0.0000   0.0000   37.403   8.1263  ?   ?   164.117   19.497 0.000000 19.49725 
1 1 1   10   19   23 o  148.198   18.658   30.537   7.0037  -8.1180   17.279   38.136   7.6613   75.112   35.217  166.137   18.095 -91.02497 39.59380 
1 1 1   10   19   24 o   43.479   20.597  -6.1601   6.1914 -21.8400   14.730  -2.7953   6.8234   58.350   28.613   51.206   23.329 7.144714 36.91831 
1 1 1   10   19   25 o   71.763   26.073   6.9468   6.2648 -25.9300   15.543   13.324   6.8455   57.604   28.467   93.243   26.872 -35.63937 39.14650 
1 1 1   10   19   26 o   98.619   28.740   15.347   7.7913   0.0000   0.0000   15.347   7.7913  ?   ?    98.619   28.740 0.000000 28.74002 
1 1 1   10   19   27 o   74.728   28.831   7.3843   7.9024   9.2530   16.151   6.7961   9.0611   88.690   38.344   75.184   30.281 13.50644 48.85906 
1 1 1   10   19   28 o   74.727   26.394   8.1855   6.3704  -7.5420   15.075   11.605   7.0288   67.898   32.158   85.936   27.735 -18.03779 42.46594 
1 1 1   10   19   29 o   79.589   27.097   9.8180   6.6867   7.5780   15.565   10.325   7.4048   83.625   36.864   81.271   28.477 2.354294 46.58228 
1 1 1   10   19   30 o   55.911   25.357  -1.2606   7.9445 -16.5900   15.370   4.3280   9.2803   60.364   29.522   68.718   29.377 -8.353848 41.64820 
1 1 1   10   19   31 o   43.401   21.126 -10.1844   7.6084 -16.3100   14.807  -7.9867   8.8688   58.561   28.711   49.898   23.917 8.663166 37.36739 
1 1 1   10   19   32 o   46.769   22.015  -4.4593   6.8687  -4.0840   14.683  -4.5644   7.7715   66.385   31.527   49.760   23.421 16.62533 39.27492 
1 1 1   10   19   33 o   97.989   28.221   16.858   7.5524   31.930   16.477   12.850   8.4976  112.399   42.029   84.208   30.401 28.19117 51.87142 
1 1 1   10   19   34 o   77.492   28.475   10.537   7.5022   1.4840   16.249   12.990   8.4576   70.917   33.528   83.550   30.304 -12.63293 45.19348 
1 1 1   10   19   35 o  106.038   28.563   20.451   8.0211   30.730   17.439   17.693   9.0334  102.930   41.813   94.398   31.498 8.531914 52.34989 
1 1 1   10   19   36 o   53.441   24.453  -0.1704   7.6015  -3.8440   16.197   0.8674   8.6085   64.467   31.251   57.271   26.136 7.195774 40.73959 
1 1 1   10   19   37 o   53.221   25.554  -4.8554   10.221   0.0000   0.0000  -4.8554   10.221  ?   ?    53.221   25.554 0.000000 25.55389 
1 1 1   10   19   38 o   50.599   23.875  -2.1595   8.1670  -2.8850   16.728  -1.9324   9.3581   62.458   30.599   53.421   25.312 9.036339 39.71157 
1 1 1   10   20    0 o  320.072   16.774  135.344   13.858  103.487   16.711  205.500   24.799  277.076   23.506  390.362   24.652 -113.2853 34.06240 
1 1 1   10   20    1 o  353.511   19.616  166.205   17.892  167.900   26.086  164.700   24.586  349.960   29.039  347.554   27.535 2.405792 40.01818 
1 1 1   10   20    2 o  268.390   23.001   97.038   15.836   94.250   22.408   99.820   22.384  258.591   34.300  266.950   33.079 -8.359375 47.65191 
1 1 1   10   20    3 o  187.678   31.576   49.599   14.805   33.430   21.020   65.520   20.857  149.064   47.947  212.030   39.427 -62.96571 62.07583 
1 1 1   10   20    4 o  409.350   18.431  221.897   19.543  220.100   28.018  223.600   27.274  401.843   27.075  405.754   26.088 -3.911011 37.59839 
1 1 1   10   20    5 o  247.681   25.027   83.564   15.836   83.580   23.214   83.550   21.659  239.993   38.656  241.835   35.644 -1.842224 52.58094 
1 1 1   10   20    6 o  378.321   19.048  190.557   18.607  198.600   27.116  183.400   25.579  380.576   27.697  366.037   27.172 14.53894 38.79988 
1 1 1   10   20    7 o  129.526   38.458   24.714   13.840   35.220   20.166   15.360   19.029  151.159   46.748  114.476   44.579 36.68275 64.59611 
1 1 1   10   20    8 o  279.060   17.810  103.709   12.807  104.275   15.742  102.600   22.024  277.813   22.056  269.466   32.191 8.346893 39.02211 
1 1 1   10   20    9 o  124.805   33.052   22.730   10.854   22.950   13.345   22.300   18.659  124.650   37.936  125.166   45.069 -0.5159225 58.90965 
1 1 1   10   20   10 o  208.146   17.658   57.977   9.4305   57.660   13.946   58.243   12.801  203.269   27.167  205.648   24.513 -2.379745 36.59177 
1 1 1   10   20   11 o  184.464   19.309   45.981   9.0895   21.247   13.579   66.063   12.235  119.840   38.536  220.312   21.722 -100.4718 44.23629 
1 1 1   10   20   12 o  239.438   18.083   76.928   11.133   68.920   19.822   80.618   13.456  215.382   36.854  243.391   21.566 -28.00934 42.70027 
1 1 1   10   20   13 o  321.956   18.404  139.140   15.285  131.400   24.611  144.000   19.501  302.531   31.887  324.101   23.386 -21.57059 39.54328 
1 1 1   10   20   14 o  254.199   17.710   86.784   11.588   73.000   15.341  105.100   17.685  228.092   26.457  275.110   25.092 -47.01857 36.46354 
1 1 1   10   20   15 o  265.903   14.639   93.981   10.044   79.181   15.550  104.578   13.158  237.770   25.654  278.543   18.339 -40.77299 31.53483 
1 1 1   10   20   16 o  117.479   28.278   20.216   8.5014   19.461   13.786   20.679   10.799  113.564   38.907  116.921   33.768 -3.356850 51.51712 
1 1 1   10   20   17 o  151.781   22.943   32.338   8.7386   34.239   13.646   31.016   11.378  148.679   35.850  144.032   31.383 4.647232 47.64606 
1 1 1   10   20   18 o  174.571   20.024   42.018   8.8909   49.468   13.656   36.537   11.714  183.387   29.769  157.052   29.885 26.33510 42.18206 
1 1 1   10   20   19 o   99.478   31.229   14.869   8.9612   10.010   16.988   16.743   10.548   97.012   40.517  104.635   33.995 -7.623619 52.88927 
1 1 1   10   20   20 o  139.595   23.063   27.859   8.0480   0.0000   0.0000   27.859   8.0480  ?   ?   139.595   23.063 0.000000 23.06262 
1 1 1   10   20   21 o  188.523   17.779   48.851   8.5793   0.0000   0.0000   48.851   8.5793  ?   ?   188.523   17.779 0.000000 17.77859 
1 1 1   10   20   22 o  215.263   14.932   62.734   8.2744   39.810   18.952   68.133   9.1973  145.316   45.381  223.679   15.979 -78.36311 48.11201 
1 1 1   10   20   23 o   71.363   26.503   6.6456   6.5299  -1.9920   17.674   8.0110   7.0271   80.095   36.884   76.133   27.621 3.961700 46.07983 
1 1 1   10   20   24 o   47.781   22.028  -3.4433   6.3282  -7.0380   14.351  -2.5755   7.0508   68.021   31.957   52.078   23.722 15.94311 39.79906 
1 1 1   10   20   25 o   93.759   28.781   13.929   7.6600   0.0000   0.0000   13.929   7.6600  ?   ?    93.759   28.781 0.000000 28.78107 
1 1 1   10   20   26 o   74.741   29.182   7.3645   8.1707  -2.3290   15.964   10.805   9.5108   74.613   34.603   84.454   31.860 -9.841019 47.03689 
1 1 1   10   20   27 o   39.723   19.336  -9.4940   6.3730 -13.7300   15.103  -8.5764   7.0295   62.716   30.348   43.454   20.947 19.26233 36.87531 
1 1 1   10   20   28 o   66.624   25.433   5.8805   6.1060   6.4000   15.418   5.7839   6.6496   81.387   36.240   67.287   26.311 14.10083 44.78415 
1 1 1   10   20   29 o   93.429   33.572   15.643   10.349   11.910   16.120   18.260   13.498   87.469   38.062   97.307   37.642 -9.838058 53.53127 
1 1 1   10   20   30 o  115.446   28.982   22.690   8.6537   21.220   16.412   23.256   10.185   98.658   40.376  112.516   32.879 -13.85777 52.06924 
1 1 1   10   20   31 o   69.626   27.043   7.2299   6.9887   31.810   16.305   1.6980   7.7353  114.381   41.987   58.869   25.967 55.51244 49.36772 
1 1 1   10   20   32 o   78.542   27.849   10.654   7.0984   9.2770   16.084   10.987   7.9105   79.023   35.931   79.099   29.211 -0.7569122E-01 46.30664 
1 1 1   10   20   33 o   39.058   19.247 -11.1921   6.9351 -15.5900   15.377 -10.0690   7.7703   57.427   28.367   43.008   21.025 14.41874 35.30886 
1 1 1   10   20   34 o   70.859   28.039   8.4725   7.6325   10.970   17.274   7.8667   8.5081   78.051   36.126   69.892   28.888 8.159721 46.25579 
1 1 1   10   20   35 o   49.014   23.020  -2.8674   7.4361  -9.4010   16.192  -1.1211   8.3710   60.567   29.760   53.763   24.977 6.803425 38.85234 
1 1 1   10   20   36 o   42.177   20.680  -9.5407   7.6882   0.0000   0.0000  -9.5407   7.6882  ?   ?    42.177   20.680 0.000000 20.68010 
1 1 1   10   20   37 o   70.674   29.689   10.058   9.2030 -10.2900   15.872   20.362   11.295   57.145   28.334   88.685   34.399 -31.53922 44.56567 
1 1 1   10   21    0 o  277.424   15.137  101.746   10.837   89.005   15.819  113.012   14.875  255.394   24.201  290.324   19.901 -34.93039 31.33243 
1 1 1   10   21    1 f  262.298   15.997   91.209   10.817  100.410   16.253   83.894   14.493  271.840   23.307  248.601   22.758 23.23888 32.57565 
1 1 1   10   21    2 o  300.813   14.124  119.049   11.005  112.161   16.446  124.636   14.810  287.942   22.221  305.430   18.811 -17.48761 29.11404 
1 1 1   10   21    3 o  199.342   19.259   53.444   9.8206   31.422   14.959   70.123   13.019  144.514   39.040  227.173   22.416 -82.65887 45.01796 
1 1 1   10   21    4 o  100.797   30.684   14.396   8.7296   1.4280   13.738   23.177   11.305   82.346   35.483  125.712   33.930 -43.36591 49.09478 
1 1 1   10   21    5 o  221.675   17.747   65.716   10.105   57.323   15.816   71.504   13.135  200.336   31.520  229.207   22.411 -28.87102 38.67500 
1 1 1   10   21    6 f   62.814   27.598  -1.1699   8.6572   12.466   14.316  -9.0316   10.870  101.824   38.926   59.984   28.063 41.84011 47.98683 
1 1 1   10   21    7 o  113.059   31.334   18.609   9.4940 -14.8400   16.983   33.815   11.450   72.712   34.346  153.406   29.890 -80.69412 45.53060 
1 1 1   10   21    8 f  116.933   31.649   20.035   9.8205   12.850   19.287   22.550   11.410  108.793   44.052  123.179   34.427 -14.38631 55.90825 
1 1 1   10   21    9 o  246.593   20.477   82.452   12.962   86.530   19.739   79.360   17.186  245.266   31.819  237.024   28.567 8.241257 42.76161 
1 1 1   10   21   10 o  173.673   28.633   43.115   12.432   30.080   19.534   51.990   16.118  137.270   46.316  187.384   34.477 -50.11435 57.73994 
1 1 1   10   21   11 o  107.026   32.475   16.831   9.7901   2.6098   13.669   31.810   14.029   82.696   35.510  143.899   37.321 -61.20297 51.51556 
1 1 1   10   21   12 o  240.438   16.189   77.337   10.024   53.994   14.536   98.501   13.841  193.269   30.010  269.307   19.984 -76.03810 36.05507 
1 1 1   10   21   13 o  222.648   16.885   66.641   9.6656   77.954   15.338   59.190   12.448  235.614   25.541  206.126   23.748 29.48784 34.87587 
1 1 1   10   21   14 o  275.018   14.865  100.840   10.550   91.633   16.566  107.122   13.685  255.278   25.389  281.038   18.908 -25.76035 31.65644 
1 1 1   10   21   15 o  291.990   13.954  113.169   10.554  129.010   16.598  102.416   13.675  306.466   21.036  274.117   19.384 32.34937 28.60539 
1 1 1   10   21   16 o   78.396   29.182   7.6479   7.9260   0.1019   12.291   13.020   10.370   74.253   32.744   95.358   33.677 -21.10583 46.97099 
1 1 1   10   21   17 o  159.914   20.707   35.645   8.3761   47.402   13.586   28.436   10.638  178.038   30.560  136.945   30.744 41.09250 43.34876 
1 1 1   10   21   18 o   78.793   29.123   8.0810   7.8663   3.4904   12.422   11.155   10.164   78.679   33.821   89.583   33.105 -10.90424 47.32652 
1 1 1   10   21   19 o   98.697   29.347   14.881   8.0548   25.520   13.491   8.9872   10.041  123.349   38.251   83.836   32.456 39.51320 50.16509 
1 1 1   10   21   20 o   59.102   25.647   0.6192   7.2788   0.0000   0.0000   0.6192   7.2788  ?   ?    59.102   25.647 0.000000 25.64654 
1 1 1   10   21   21 o   60.596   25.323   2.4409   6.6420  -6.0320   16.171   4.1603   7.2848   73.524   34.342   66.440   27.012 7.084312 43.69231 
1 1 1   10   21   22 o   86.277   27.612   11.382   6.9780   1.7150   16.592   13.459   7.6912   81.307   36.781   92.764   28.900 -11.45725 46.77655 
1 1 1   10   21   23 o   72.004   26.500   7.1014   6.5013  -4.3740   15.076   9.7228   7.2057   71.598   33.347   80.619   28.100 -9.020798 43.60823 
1 1 1   10   21   24 o   92.909   28.632   13.789   7.5724   0.0000   0.0000   13.789   7.5724  ?   ?    92.909   28.632 0.000000 28.63196 
1 1 1   10   21   25 o  143.781   24.073   31.161   8.6489   28.280   18.171   32.005   9.8343  115.882   43.960  142.699   27.604 -26.81712 51.90842 
1 1 1   10   21   26 o  117.905   23.830   21.233   7.0275   11.400   16.277   23.486   7.7911   88.895   38.463  123.006   25.297 -34.11064 46.03652 
1 1 1   10   21   27 o   87.808   27.557   12.581   6.9785  -8.7740   16.130   17.499   7.7404   67.261   32.244  102.906   28.201 -35.64519 42.83647 
1 1 1   10   21   28 o   76.651   31.402   8.4298   9.9404 -10.7600   15.412   22.100   13.008   63.617   30.753  104.688   37.636 -41.07153 48.60298 
1 1 1   10   21   29 o   59.771   25.270   3.2186   6.7358 -11.0600   15.442   6.5738   7.4854   62.534   30.360   68.933   27.607 -6.398724 41.03559 
1 1 1   10   21   30 o   81.861   28.130   11.617   7.2084   19.850   15.872   9.4782   8.0910   93.428   39.104   75.661   29.179 17.76670 48.79042 
1 1 1   10   21   31 o   43.704   20.899  -5.8343   6.6842 -27.3900   15.377  -0.8126   7.4220   51.916   26.064   53.017   24.223 -1.101761 35.58203 
1 1 1   10   21   32 o   76.653   28.143   10.519   7.3263   20.660   16.682   8.0956   8.1549   89.621   38.858   70.530   28.614 19.09182 48.25644 
1 1 1   10   21   33 o   61.769   26.269   4.7674   7.3510   20.290   17.158   1.2774   8.1355   86.846   38.472   56.947   25.758 29.89921 46.29919 
1 1 1   10   21   34 o   56.490   25.194   2.1954   7.4838   7.1640   16.973   0.9963   8.3380   72.191   34.172   56.325   25.711 15.86648 42.76382 
1 1 1   10   21   35 o   43.229   21.010  -7.4143   7.4482 -19.2500   18.223  -5.0405   8.1610   56.827   28.508   47.715   22.890 9.111679 36.56031 
1 1 1   10   21   36 f   66.523   29.963   7.6375   10.873   0.0000   0.0000   7.6375   10.873  ?   ?    66.523   29.963 0.000000 29.96258 
1 1 1   10   21   37 o   52.212   26.433 -23.3200   17.777 -23.3200   17.777   0.0000   0.0000   52.212   26.433  ?   ?  0.000000 26.43312 
1 1 1   10   22    0 o  294.474   16.775  115.696   12.743  119.869   17.263  110.700   18.888  296.236   22.669  282.248   26.132 13.98770 34.59447 
1 1 1   10   22    1 o  190.749   23.531   50.259   11.380   50.581   15.290   49.860   17.040  186.137   32.915  181.896   37.414 4.241119 49.83172 
1 1 1   10   22    2 o  372.740   15.438  184.126   14.906  169.933   19.283  205.200   23.496  354.051   21.122  387.110   23.544 -33.05832 31.63007 
1 1 1   10   22    3 o  382.049   14.911  193.200   14.757  186.977   19.470  201.600   22.621  371.976   20.283  384.177   22.834 -12.20074 30.54199 
1 1 1   10   22    4 o  201.291   22.661   55.758   11.610   55.025   15.927   56.590   16.959  194.003   32.868  195.534   34.756 -1.530609 47.83628 
1 1 1   10   22    5 o   98.204   34.507   13.264   10.877  -2.9577   15.236   30.120   15.532   79.288   35.612  138.743   40.619 -59.45467 54.02016 
1 1 1   10   22    6 o   94.622   30.809   12.671   8.6616   19.938   13.732   7.8701   11.162  115.545   38.835   86.340   33.989 29.20504 51.60860 
1 1 1   10   22    7 f  257.827   15.967   88.767   10.611   91.258   16.503   87.012   13.854  255.833   25.232  252.273   21.403 3.559830 33.08723 
1 1 1   10   22    8 o   84.678   30.628   9.2245   8.6304   7.8774   13.322   10.199   11.329   90.146   36.572   91.256   34.690 -1.110603 50.40738 
1 1 1   10   22    9 o  149.384   23.393   31.290   8.7547   29.043   13.953   32.748   11.243  136.341   38.057  149.422   30.089 -13.08090 48.51513 
1 1 1   10   22   10 o  216.722   17.363   63.355   9.6652   63.893   14.887   62.963   12.708  211.303   27.880  212.643   23.462 -1.339661 36.43777 
1 1 1   10   22   11 o  207.904   17.146   58.351   9.1515   52.686   13.851   62.741   12.192  190.611   28.965  212.632   22.476 -22.02069 36.66236 
1 1 1   10   22   12 o  235.693   15.900   74.585   9.6505   57.788   13.767   90.815   13.532  200.624   27.192  257.278   20.475 -56.65446 34.03834 
1 1 1   10   22   13 o  143.725   23.495   29.311   8.4448   27.138   13.422   30.734   10.865  130.330   37.647  143.440   30.196 -13.11029 48.26127 
1 1 1   10   22   14 o  114.985   28.324   19.738   8.3808   29.936   14.123   14.196   10.412  135.712   38.433   98.018   33.801 37.69386 51.18171 
1 1 1   10   22   15 o  131.205   25.237   25.045   8.2655   54.845   14.237   9.8944   10.151  192.148   29.551   86.863   32.880 105.2843 44.20843 
1 1 1   10   22   16 o  199.929   17.640   54.716   9.0417   48.703   14.441   58.592   11.596  177.754   32.564  203.744   22.338 -25.98975 39.48940 
1 1 1   10   22   17 o  176.087   19.236   43.124   8.6311   28.940   12.914   54.573   11.603  132.355   36.491  195.243   23.410 -62.88817 43.35458 
1 1 1   10   22   18 o  313.670   14.736  132.573   11.973  126.100   20.970  135.703   14.583  290.478   28.227  313.942   18.008 -23.46356 33.48206 
1 1 1   10   22   19 o  163.665   21.745   38.419   8.9905   39.260   15.833   38.018   10.922  148.725   40.159  158.340   27.635 -9.614960 48.74851 
1 1 1   10   22   20 f  222.870   17.829   69.041   10.207   52.250   19.269   75.590   12.034  165.975   44.077  230.952   20.322 -64.97725 48.53649 
1 1 1   10   22   21 o   88.811   27.364   12.283   6.9170   0.1702   16.140   15.009   7.6557   78.026   35.677   97.211   28.535 -19.18498 45.68433 
1 1 1   10   22   22 o   58.587   25.349   1.2856   7.0693 -18.3300   16.553   5.6616   7.8182   63.236   30.864   70.023   28.154 -6.787163 41.77607 
1 1 1   10   22   23 o  226.482   21.014   74.319   12.188   0.0000   0.0000   74.319   12.188  ?   ?   226.482   21.014 0.000000 21.01408 
1 1 1   10   22   24 o   45.095   21.747  -8.9780   7.5951  -5.7430   16.825  -9.8059   8.5116   71.710   33.967   47.588   22.968 24.12199 41.00315 
1 1 1   10   22   25 o   49.891   22.455  -1.1051   6.0945 -10.9700   15.827   0.6124   6.6037   65.185   31.425   54.959   24.126 10.22586 39.61808 
1 1 1   10   22   26 o   91.914   38.927   15.560   16.029   15.560   16.029   0.0000   0.0000   91.914   38.927  ?   ?  0.000000 38.92685 
1 1 1   10   22   27 o   91.855   33.382   15.629   10.270   30.940   16.456   5.8610   13.144  115.074   42.189   75.328   33.506 39.74577 53.87574 
1 1 1   10   22   28 o   82.265   27.169   11.477   6.7274   15.080   16.186   10.724   7.3965   87.590   38.127   79.459   28.400 8.131744 47.54160 
1 1 1   10   22   29 o  121.557   24.067   23.868   7.3097   30.500   16.867   22.334   8.1109  107.546   41.945  113.466   27.812 -5.920189 50.32827 
1 1 1   10   22   30 o   77.674   27.629   10.679   6.9923   2.7190   15.862   12.598   7.7900   70.813   33.370   82.533   29.183 -11.72071 44.33108 
1 1 1   10   22   31 o   70.307   27.649   8.3707   7.3788   3.7720   17.210   9.4064   8.1675   71.434   33.985   72.958   28.962 -1.523300 44.65229 
1 1 1   10   22   32 o   60.850   26.219   4.4263   7.5006 -41.9800   17.106   15.471   8.3456   48.351   24.623   87.604   30.258 -39.25326 39.01101 
1 1 1   10   22   33 o   53.033   24.098   0.6922   7.2191  -0.7419   17.014   1.0071   7.9724   65.587   31.848   55.190   25.173 10.39738 40.59539 
1 1 1   10   22   34 o   65.989   27.049   7.6383   7.3806   15.060   17.591   6.0528   8.1308   75.988   35.598   63.114   27.247 12.87391 44.82833 
1 1 1   10   22   35 o   59.155   27.368   3.0155   9.8981   0.0000   0.0000   3.0155   9.8981  ?   ?    59.155   27.368 0.000000 27.36819 
1 1 1   10   22   36 o   36.680   18.564 -20.8093   8.7226 -15.2100   16.318 -23.0493   10.321   53.156   26.709   39.656   20.083 13.49994 33.41711 
1 1 1   10   23    0 o  286.587   15.029  109.442   11.118   96.637   16.164  120.938   15.316  263.650   23.930  298.180   19.944 -34.53058 31.15140 
1 1 1   10   23    1 o  123.535   29.255   22.476   9.2169   23.177   14.538   22.005   11.918  121.930   39.924  119.871   35.711 2.058388 53.56493 
1 1 1   10   23    2 o  231.348   18.335   72.440   10.897   68.038   16.436   75.893   14.557  216.590   30.110  233.019   24.483 -16.42830 38.80779 
1 1 1   10   23    3 o  436.669   12.411  251.455   14.038  265.387   21.089  240.371   18.811  443.930   18.340  423.509   17.147 20.42087 25.10750 
1 1 1   10   23    4 o  474.757   12.159  297.082   14.953  291.985   22.024  301.441   20.366  465.615   18.261  474.712   16.562 -9.097076 24.65274 
1 1 1   10   23    5 o  267.389   15.590   95.628   10.751   94.009   16.809   96.748   13.986  258.493   25.434  265.963   20.458 -7.470490 32.64088 
1 1 1   10   23    6 o   81.182   30.672   7.9347   8.8228   11.438   13.464   5.2981   11.680   96.053   37.472   81.580   33.793 14.47240 50.45914 
1 1 1   10   23    7 o  108.413   29.976   17.532   8.7000   8.8166   12.730   25.171   11.918   89.845   35.995  127.458   35.019 -37.61303 50.21951 
1 1 1   10   23    8 o  165.846   21.979   38.387   9.2093   75.814   15.258   16.940   11.550  230.931   25.957  106.022   35.616 124.9090 44.07173 
1 1 1   10   23    9 o  177.349   20.627   43.540   9.2989   39.749   14.221   46.372   12.291  160.042   35.255  178.954   27.386 -18.91119 44.64206 
1 1 1   10   23   10 o  132.468   26.143   25.550   8.6519   35.709   13.522   18.508   11.258  151.105   35.201  109.406   35.079 41.69920 49.69519 
1 1 1   10   23   11 o  100.367   29.508   15.131   8.1812   16.518   12.952   14.211   10.553  104.469   37.556   97.935   34.014 6.534599 50.66942 
1 1 1   10   23   12 o   98.911   30.344   14.793   8.5158   1.9823   12.933   24.599   11.315   77.732   33.951  124.822   34.051 -47.09051 48.08534 
1 1 1   10   23   13 o  114.074   28.611   19.726   8.4391   27.969   13.412   14.324   10.858  130.173   37.641   97.541   34.458 32.63141 51.03190 
1 1 1   10   23   14 o  120.064   26.699   21.559   8.0886   8.0374   12.535   31.207   10.588   85.726   35.208  143.150   29.535 -57.42433 45.95504 
1 1 1   10   23   15 o   95.788   29.143   14.078   7.8761   24.895   13.105   7.9620   9.8543  121.295   37.714   80.809   31.897 40.48621 49.39423 
1 1 1   10   23   16 o  107.180   28.620   17.838   8.0953   2.5119   13.088   27.334   10.302   76.944   33.867  131.706   30.755 -54.76234 45.74762 
1 1 1   10   23   17 o   92.098   30.410   13.256   8.4280   5.1440   16.506   16.117   9.8021   85.434   37.796   99.770   32.788 -14.33598 50.03625 
1 1 1   10   23   18 o  129.214   24.491   24.988   7.8971   5.2592   11.627   41.886   10.760   77.132   32.925  167.029   25.693 -89.89738 41.76373 
1 1 1   10   23   19 o   69.499   27.509   5.7291   7.3482 -14.6185   11.307   20.605   9.6680   52.937   25.765  111.269   31.897 -58.33152 41.00289 
1 1 1   10   23   20 f  137.703   20.971   27.627   7.2441   12.951   10.450   41.203   10.051   89.619   33.479  165.872   24.098 -76.25315 41.24955 
1 1 1   10   23   21 o   69.409   27.796   5.8043   7.5879   0.0000   0.0000   5.8043   7.5879  ?   ?    69.409   27.796 0.000000 27.79631 
1 1 1   10   23   22 f   53.772   25.545  -7.3332   9.6543   0.0000   0.0000  -7.3332   9.6543  ?   ?    53.772   25.545 0.000000 25.54490 
1 1 1   10   23   23 o  109.473   25.699   19.015   7.1626   33.070   16.567   15.784   7.9433  123.434   42.632   96.981   29.213 26.45293 51.68095 
1 1 1   10   23   24 o  176.632   18.023   44.751   8.1305   45.150   17.774   44.645   9.1432  142.890   43.838  173.814   20.716 -30.92412 48.48645 
1 1 1   10   23   25 o  173.486   26.425   48.269   11.500   25.920   17.888   64.010   15.013  104.656   42.408  193.481   31.002 -88.82447 52.53115 
1 1 1   10   23   26 o  103.761   26.419   17.949   7.1196   38.280   17.380   13.849   7.8045  124.477   43.627   88.702   29.262 35.77412 52.53170 
1 1 1   10   23   27 o   71.152   27.122   8.0438   6.9375   8.7130   15.477   7.8755   7.7608   78.326   35.469   71.237   28.247 7.088707 45.34263 
1 1 1   10   23   28 o  100.540   26.676   17.566   7.0619   0.5796   15.957   21.703   7.8751   69.433   32.943  111.401   27.465 -41.96862 42.89006 
1 1 1   10   23   29 o   55.335   24.525   1.6932   6.9811   11.140   15.683  -0.6412   7.7960   77.761   35.405   53.555   24.601 24.20575 43.11238 
1 1 1   10   23   30 o   43.678   21.057  -6.4655   7.1062   10.160   16.136 -10.4660   7.9151   75.277   34.868   42.501   20.868 32.77659 40.63560 
1 1 1   10   23   31 f   77.424   28.721   11.724   7.6648   5.2650   16.804   13.420   8.6130   69.946   33.361   80.639   30.341 -10.69247 45.09489 
1 1 1   10   23   32 o   94.836   29.313   18.187   7.9303   27.430   17.809   15.902   8.8569   89.086   39.344   85.361   31.004 3.725456 50.09123 
1 1 1   10   23   33 f   66.118   27.251   7.9661   7.5424  -5.3030   17.432   11.022   8.3661   61.083   30.178   72.754   29.169 -11.67049 41.97095 
1 1 1   10   23   34 o   54.182   25.500   0.1424   9.2086   0.0000   0.0000   0.1424   9.2086  ?   ?    54.182   25.500 0.000000 25.50036 
1 1 1   10   23   35 o   67.760   29.063   10.459   9.1366   5.4780   17.807   12.239   10.645   63.578   31.234   69.761   30.627 -6.182854 43.74434 
1 1 1   10   24    0 o   81.826   30.984   8.2724   9.0161   7.0038   14.106   9.1485   11.723   88.440   36.927   88.229   34.802 0.2115707 50.74224 
1 1 1   10   24    1 o   92.638   31.909   12.335   9.2779   2.6523   13.937   20.040   12.433   81.589   35.446  113.140   36.915 -31.55067 51.17803 
1 1 1   10   24    2 o  131.075   27.771   25.343   9.1358   12.060   13.624   36.197   12.315   96.422   37.673  154.655   31.803 -58.23320 49.30180 
1 1 1   10   24    3 o  184.051   19.944   46.763   9.3563   52.515   14.264   42.418   12.395  188.123   30.301  169.438   29.302 18.68483 42.15215 
1 1 1   10   24    4 o  165.176   22.503   38.406   9.3776   15.892   13.870   57.365   12.728  103.928   38.619  200.573   25.044 -96.64485 46.02868 
1 1 1   10   24    5 o  139.195   26.342   28.267   9.1498   30.500   14.055   26.625   12.054  136.958   38.183  129.844   35.031 7.113159 51.81861 
1 1 1   10   24    6 o  180.035   21.063   45.205   9.6368   46.033   14.345   44.524   13.010  173.190   33.183  172.544   30.209 0.6460724 44.87470 
1 1 1   10   24    7 o  115.296   29.170   20.111   8.7182   11.050   13.286   26.962   11.553   93.311   36.972  130.977   33.819 -37.66698 50.10655 
1 1 1   10   24    8 o   84.847   30.465   9.9880   8.5201   9.7279   12.892   10.190   11.353   90.069   36.174   88.866   34.481 1.203133 49.97540 
1 1 1   10   24    9 o  129.426   27.077   24.922   8.7859   15.451   13.346   32.165   11.672  101.301   37.836  143.979   32.112 -42.67805 49.62656 
1 1 1   10   24   10 o  174.193   19.393   42.186   8.6020   26.287   13.648   52.665   11.080  125.137   38.418  192.553   22.647 -67.41518 44.59653 
1 1 1   10   24   11 o   81.541   29.829   9.1523   8.2198   19.187   13.328   2.9926   10.442  108.239   38.183   72.619   31.106 35.62024 49.24977 
1 1 1   10   24   12 o   98.809   29.861   15.151   8.2896   9.5935   12.685   19.294   10.951   87.947   35.685  108.858   34.566 -20.91125 49.68133 
1 1 1   10   24   13 o   59.291   26.275  -0.4897   8.0103   10.302   12.323  -8.3874   10.541   88.249   35.394   57.043   26.980 31.20630 44.50409 
1 1 1   10   24   14 o  113.199   27.263   19.742   7.8989   18.836   12.446   20.353   10.221  105.498   36.922  111.222   33.057 -5.723831 49.55750 
1 1 1   10   24   15 o   53.681   24.488  -2.6783   7.5485 -13.4577   12.258   3.9057   9.5804   56.931   27.498   70.804   30.046 -13.87292 40.73022 
1 1 1   10   24   16 o  167.567   22.008   40.857   9.3213   69.210   19.147   32.049   10.671  198.722   38.587  141.666   30.014 57.05594 48.88563 
1 1 1   10   24   17 o  219.599   16.430   66.854   9.2784   56.698   14.471   73.944   12.091  187.745   30.826  226.611   20.831 -38.86577 37.20461 
1 1 1   10   24   18 o  234.581   15.038   75.660   9.0898   73.394   13.508   77.536   12.288  221.604   23.912  231.639   20.697 -10.03442 31.62527 
1 1 1   10   24   19 o  118.270   28.340   22.678   8.5684   21.690   16.427   23.047   10.043  104.321   41.181  115.586   32.295 -11.26489 52.33429 
1 1 1   10   24   20 o  107.128   34.088   20.735   10.646   25.600   16.070   16.930   14.213  110.347   41.458   95.775   38.147 14.57183 56.33808 
1 1 1   10   24   21 o   83.772   33.685   11.195   11.193   11.160   15.825   11.230   15.834   86.523   37.680   86.620   37.707 -0.9715271E-01 53.30700 
1 1 1   10   24   22 o   52.271   23.679  -1.1902   6.9046  -4.2020   15.671  -0.4646   7.6914   69.224   32.787   55.967   25.205 13.25726 41.35508 
1 1 1   10   24   23 o   93.037   33.713   16.192   10.464   0.8908   15.578   28.770   14.124   72.856   33.921  115.841   39.383 -42.98456 51.97746 
1 1 1   10   24   24 o   83.680   30.218   12.314   8.3964  -7.8930   16.045   19.934   9.8532   65.382   31.551  102.580   32.810 -37.19762 45.51845 
1 1 1   10   24   25 o   89.175   26.945   13.711   6.7501   13.750   16.039   13.702   7.4411   84.620   37.356   87.838   28.554 -3.218643 47.01854 
1 1 1   10   24   26 o  101.248   27.525   18.082   7.4083   18.310   16.406   18.024   8.3031   88.306   38.411   98.256   29.929 -9.950127 48.69424 
1 1 1   10   24   27 o   34.494   17.322 -16.4471   6.8154 -19.1100   14.915 -15.7444   7.6621   54.100   26.931   37.980   18.969 16.11928 32.94059 
1 1 1   10   24   28 o   80.146   27.964   12.065   7.1369  -1.0290   16.495   15.081   7.9162   66.354   32.012   87.736   29.485 -21.38229 43.52210 
1 1 1   10   24   29 o  120.523   26.031   25.684   7.8890   6.9580   17.351   30.564   8.8575   71.537   34.059  130.329   27.120 -58.79160 43.53779 
1 1 1   10   24   30 o  107.326   27.853   21.858   7.8103   16.430   17.172   23.274   8.7699   78.122   36.110  107.072   30.272 -28.94994 47.12056 
1 1 1   10   24   31 o   78.269   28.904   12.806   7.7450   21.380   17.591   10.744   8.6260   80.812   37.059   72.198   29.377 8.614113 47.29081 
1 1 1   10   24   32 o   44.794   21.560  -4.8528   7.3798   6.8520   16.590  -7.7402   8.2399   66.889   32.228   44.341   21.671 22.54810 38.83656 
1 1 1   10   24   33 o   60.113   26.733   5.6772   8.3620   0.0000   0.0000   5.6772   8.3620  ?   ?    60.113   26.733 0.000000 26.73284 
1 1 1   10   24   34 o   52.235   24.664   0.5575   8.7419   4.1670   17.586  -0.6271   10.075   61.684   30.444   52.887   25.387 8.796757 39.64063 
1 1 1   10   25    0 o   78.367   30.824   7.1353   9.1725   10.642   14.252   4.6553   11.985   92.829   37.765   79.167   33.601 13.66166 50.54955 
1 1 1   10   25    1 o  195.214   20.288   53.177   10.109   63.536   14.995   44.546   13.687  206.508   28.818  169.641   32.328 36.86691 43.30795 
1 1 1   10   25    2 o   93.907   36.211   12.347   12.460   12.347   12.460   0.0000   0.0000   93.907   36.211  ?   ?  0.000000 36.21100 
1 1 1   10   25    3 o  150.402   24.432   32.816   9.1917   44.704   13.363   22.139   12.663  170.537   31.407  115.867   37.210 54.67017 48.69279 
1 1 1   10   25    4 o  307.187   14.155  126.420   11.263  126.189   16.603  126.617   15.330  299.856   21.519  302.258   19.688 -2.401611 29.16648 
1 1 1   10   25    5 o  212.714   17.755   62.180   9.6934   64.172   14.784   60.679   12.838  207.507   28.237  204.812   24.698 2.695221 37.51438 
1 1 1   10   25    6 o   84.226   29.748   10.214   8.0921   5.6944   12.438   13.532   10.656   81.156   34.326   94.546   34.056 -13.39066 48.35382 
1 1 1   10   25    7 o  104.689   29.989   17.104   8.5490   4.5977   12.667   27.566   11.586   79.613   34.185  130.324   33.973 -50.71082 48.19506 
1 1 1   10   25    8 o   71.344   28.985   5.0664   8.3809  -1.0574   13.082   9.3295   10.915   72.444   32.725   84.862   33.547 -12.41824 46.86488 
1 1 1   10   25    9 o  167.319   21.822   40.102   9.2325   44.882   14.667   36.965   11.882  165.268   35.331  153.493   30.954 11.77507 46.97228 
1 1 1   10   25   10 o  134.072   26.369   27.173   8.8314   41.573   14.143   17.971   11.306  158.148   35.408  103.997   35.237 54.15045 49.95312 
1 1 1   10   25   11 o  120.542   27.500   22.485   8.3969   0.8063   13.142   37.439   10.915   73.892   33.140  156.091   28.026 -82.19906 43.40166 
1 1 1   10   25   12 o  192.307   18.213   51.801   8.9644   62.175   13.893   44.402   11.734  202.044   27.241  170.127   27.570 31.91692 38.75772 
1 1 1   10   25   13 o  114.885   27.120   20.648   7.9412  -6.4595   12.510   38.940   10.277   63.453   29.819  160.382   25.598 -96.92906 39.29982 
1 1 1   10   25   14 o   58.376   26.208  -0.8151   8.2426  -5.6860   15.420   1.1334   9.7529   70.175   33.019   65.623   29.041 4.552528 43.97316 
1 1 1   10   25   15 o  137.276   27.129   29.597   9.3047   55.560   18.616   20.951   10.743  168.557   42.613  108.974   34.189 59.58350 54.63329 
1 1 1   10   25   16 o   53.430   24.426  -2.2741   7.5615  -5.1644   11.851  -0.2898   9.8199   62.089   29.129   62.971   28.408 -0.8815842 40.68781 
1 1 1   10   25   17 o   82.293   30.381   10.823   8.5559   22.380   15.249   5.5129   10.336  105.089   40.175   72.840   31.068 32.24899 50.78587 
1 1 1   10   25   18 o  114.281   36.958   25.280   12.476   29.760   18.885   21.810   16.620  112.724   44.264  102.094   41.049 10.62961 60.36791 
1 1 1   10   25   19 o  154.044   24.503   36.838   9.4498   19.634   11.559   71.500   16.408  101.328   35.576  204.362   32.050 -103.0337 47.88342 
1 1 1   10   25   20 o   78.269   28.326   9.9267   7.3834   16.008   10.718   4.4348   10.185   92.781   34.044   69.395   30.225 23.38676 45.52512 
1 1 1   10   25   21 o   57.323   26.650  -2.7637   9.5592  -2.8970   14.654  -2.6650   12.612   67.592   31.920   64.218   30.102 3.374115 43.87514 
1 1 1   10   25   22 f   71.510   30.912   6.2338   10.494  -1.0040   15.851   11.880   14.001   70.195   33.165   82.778   35.744 -12.58295 48.76017 
1 1 1   10   25   23 o   45.856   21.719  -4.8270   6.8766  -3.6410   15.718  -5.1078   7.6472   66.904   32.008   48.143   22.831 18.76123 39.31667 
1 1 1   10   25   24 o   43.419   20.775  -5.8075   6.6260 -20.7000   15.096  -2.2538   7.3743   54.297   27.039   50.589   23.482 3.707428 35.81216 
1 1 1   10   25   25 o   93.405   28.348   16.147   7.4593 -20.5000   16.233   25.956   8.3985   55.651   27.765  121.429   27.357 -65.77861 38.97871 
1 1 1   10   25   26 o   54.507   24.412   1.3695   7.1049   2.8270   16.249   1.0250   7.9001   68.927   32.856   55.740   25.282 13.18689 41.45733 
1 1 1   10   25   27 o  100.543   27.381   18.836   7.3237   24.450   16.452   17.448   8.1787   89.410   38.678   92.802   29.914 -3.391808 48.89625 
1 1 1   10   25   28 o   76.627   28.283   11.705   7.4138  -2.8930   16.786   15.243   8.2635   63.020   30.827   84.869   30.052 -21.84968 43.05166 
1 1 1   10   25   29 o   61.453   26.421   5.6990   7.5833   5.7550   17.139   5.6854   8.4561   67.726   32.663   62.203   27.304 5.522594 42.57189 
1 1 1   10   25   30 o   43.749   21.195  -5.9946   7.4214  -7.4720   16.777  -5.6352   8.2750   58.502   29.028   46.405   22.457 12.09779 36.70084 
1 1 1   10   25   31 o   59.960   26.118   5.7568   7.6071   10.680   17.453   4.6022   8.4521   68.183   32.903   58.704   26.431 9.478977 42.20451 
1 1 1   10   25   32 o   63.955   28.895   8.4570   10.203   0.0000   0.0000   8.4570   10.203  ?   ?    63.955   28.895 0.000000 28.89490 
1 1 1   10   25   33 o   61.980   27.373   8.1991   8.6210   46.880   17.594  -4.0230   9.8896   97.114   40.936   48.920   23.872 48.19416 47.38853 
1 1 1   10   26    0 o  117.700   29.195   21.730   8.8576   18.143   13.088   24.761   12.032  103.966   37.699  120.695   35.864 -16.72800 52.03301 
1 1 1   10   26    1 o  143.996   25.784   31.045   9.2639   35.690   13.630   27.058   12.630  145.224   36.325  125.582   36.589 19.64183 51.55867 
1 1 1   10   26    2 o  131.149   27.410   26.326   9.0116   8.0491   13.055   42.959   12.454   84.650   35.450  166.070   30.059 -81.41951 46.47861 
1 1 1   10   26    3 o  171.017   21.392   41.904   9.2689   25.925   13.060   58.119   13.157  121.768   37.615  197.074   26.440 -75.30596 45.97771 
1 1 1   10   26    4 o  124.464   28.734   24.210   9.0762   28.666   13.489   20.525   12.269  127.536   37.991  109.282   36.707 18.25385 52.82753 
1 1 1   10   26    5 o  159.802   22.473   37.105   9.0453   41.867   13.983   33.679   11.861  158.425   35.007  143.831   32.591 14.59386 47.82947 
1 1 1   10   26    6 o  138.281   25.219   28.745   8.7003   22.023   12.958   34.263   11.740  111.578   37.723  145.330   32.048 -33.75142 49.49850 
1 1 1   10   26    7 f   57.124   25.763  -1.5356   8.0699 -11.0309   11.729   7.0009   11.121   57.319   27.482   79.035   32.876 -21.71595 42.84965 
1 1 1   10   26    8 o  157.283   22.476   36.244   8.8966   48.362   13.289   26.403   11.976  174.132   30.579  122.940   35.576 51.19164 46.91185 
1 1 1   10   26    9 o   73.633   29.182   6.8390   8.2792   2.3179   12.064   10.864   11.383   72.649   32.218   85.976   34.172 -13.32693 46.96504 
1 1 1   10   26   10 o   69.786   27.746   5.8972   7.5065   12.878   10.908  -0.3816   10.345   89.473   34.033   64.765   29.193 24.70783 44.83823 
1 1 1   10   26   11 o   88.391   29.219   12.626   7.7799   5.4290   11.483   18.734   10.578   75.498   32.486  103.291   34.067 -27.79316 47.07340 
1 1 1   10   26   12 o   87.972   29.449   12.634   7.8963   28.234   12.831   3.1253   10.018  122.882   37.155   68.705   29.949 54.17657 47.72229 
1 1 1   10   26   13 o   86.171   30.736   12.227   8.6587   11.260   15.848   12.638   10.338   87.697   37.949   87.260   33.145 0.4366455 50.38565 
1 1 1   10   26   14 o   99.276   31.498   17.181   9.0953   31.490   17.644   12.003   10.614  117.962   43.612   85.384   33.282 32.57821 54.86110 
1 1 1   10   26   15 o   73.726   31.918   5.6818   11.221   5.7040   17.085   5.6650   14.881   80.797   36.852   78.400   35.205 2.397148 50.96507 
1 1 1   10   26   16 o   69.835   31.032   3.3682   11.246   4.6720   15.042   1.7160   16.933   76.847   34.867   76.110   35.413 0.7374649 49.69688 
1 1 1   10   26   17 o   66.813   27.751   5.1917   7.9069   4.1472   11.445   6.1454   10.936   70.852   31.403   73.172   31.594 -2.320320 44.54555 
1 1 1   10   26   18 o   41.004   20.317 -14.9102   8.1115 -18.9400   15.520 -13.3958   9.5143   57.815   28.547   46.751   22.940 11.06346 36.62196 
1 1 1   10   26   19 o  128.375   33.701   31.030   11.349   25.880   17.326   34.900   15.020  102.504   41.664  124.514   40.571 -22.01054 58.15410 
1 1 1   10   26   20 o   68.803   27.823   6.8007   7.6834   4.6309   9.4548   11.020   13.185   66.922   29.135   80.463   34.716 -13.54125 45.32159 
1 1 1   10   26   21 o   82.468   28.678   12.178   7.5029  -3.0927   10.393   28.803   10.843   57.655   27.121  121.573   33.404 -63.91851 43.02785 
1 1 1   10   26   22 o   73.155   29.696   9.0129   8.7886   7.9560   15.417   9.5217   10.697   75.424   34.627   74.927   31.770 0.4972687 46.99302 
1 1 1   10   26   23 o   69.479   27.452   8.0521   7.3059  -7.0520   15.742   12.198   8.2480   62.127   30.273   79.870   29.761 -17.74291 42.45252 
1 1 1   10   26   24 o   63.497   26.325   5.9505   7.0969   12.250   15.968   4.3998   7.9224   76.921   35.287   61.348   26.689 15.57377 44.24316 
1 1 1   10   26   25 o   57.397   25.219   3.2454   7.2299   0.9343   15.747   3.8627   8.1385   65.477   31.510   59.967   26.534 5.509350 41.19393 
1 1 1   10   26   26 o   50.545   23.379  -0.5368   7.2167  -3.2590   16.304   0.1266   8.0481   62.039   30.355   53.386   24.692 8.653179 39.12917 
1 1 1   10   26   27 o   45.444   21.532  -3.0649   6.7723 -32.8100   15.887   3.5409   7.4866   47.528   24.158   57.092   25.347 -9.563972 35.01502 
1 1 1   10   26   28 o   67.276   27.465   8.8987   7.5711   34.920   17.445   2.8602   8.4038   93.317   40.096   56.695   25.853 36.62264 47.70797 
1 1 1   10   26   29 o   37.848   18.852 -12.2050   7.3570  -1.9200   16.348 -14.8168   8.2384   59.824   29.494   38.706   19.381 21.11849 35.29218 
1 1 1   10   26   30 o   53.417   24.491   2.3403   7.6768   10.650   17.058   0.2297   8.5966   66.337   32.137   52.060   24.543 14.27699 40.43708 
1 1 1   10   26   31 o   47.188   23.234  -6.8826   10.039   0.0000   0.0000  -6.8826   10.039  ?   ?    47.188   23.234 0.000000 23.23439 
1 1 1   10   26   32 o   58.811   26.637   6.9532   8.7331  -4.3340   17.780   10.542   10.026   55.279   27.790   63.728   28.731 -8.448887 39.97216 
1 1 1   10   27    0 o  104.082   30.928   18.077   8.9480   11.787   13.524   22.975   11.933   88.724   36.520  112.844   36.109 -24.11953 51.35733 
1 1 1   10   27    1 o   68.497   28.943   4.1027   8.8290  -9.3504   12.652   16.872   12.326   60.602   28.917   98.104   36.417 -37.50298 46.50103 
1 1 1   10   27    2 o  145.480   25.697   32.488   9.3295   20.981   13.392   43.339   13.004  106.262   38.190  161.691   32.181 -55.42822 49.94088 
1 1 1   10   27    3 o  167.622   22.616   41.576   9.5690   42.984   13.821   40.279   13.262  157.859   34.741  153.155   34.284 4.704636 48.80907 
1 1 1   10   27    4 o   91.155   30.584   13.684   8.5170   18.426   12.213   9.1941   11.883  101.075   36.454   82.381   34.102 18.69443 49.91816 
1 1 1   10   27    5 o   46.114   22.266  -9.5903   8.0197 -22.3755   12.606  -0.8982   10.394   50.791   25.195   63.761   28.950 -12.97033 38.37851 
1 1 1   10   27    6 o  102.469   29.823   17.515   8.3946   33.463   13.257   6.8390   10.846  134.905   36.880   76.497   32.188 58.40815 48.95144 
1 1 1   10   27    7 o  118.252   26.674   22.227   7.9757   26.050   12.383   19.516   10.427  117.952   36.657  104.616   33.782 13.33617 49.84933 
1 1 1   10   27    8 f   68.933   28.348   5.4274   8.1393   11.635   12.765   1.1748   10.566   86.135   35.470   66.464   29.768 19.67046 46.30618 
1 1 1   10   27    9 o  143.333   24.574   31.720   8.7955   20.719   12.939   41.171   11.992  103.355   37.483  157.101   30.570 -53.74622 48.36858 
1 1 1   10   27   10 o   73.598   30.041   7.1907   9.0555 -14.2100   14.793   20.017   11.452   60.380   29.406  102.959   35.452 -42.57865 46.05974 
1 1 1   10   27   11 o   62.388   27.712   1.3747   8.9603  -1.3330   16.214   2.5653   10.751   72.677   34.087   67.990   30.269 4.687103 45.58705 
1 1 1   10   27   12 o   73.584   32.001   5.8494   11.383  -1.4070   15.724   13.840   16.500   71.446   33.529   88.773   38.568 -17.32681 51.10420 
1 1 1   10   27   13 o   73.838   32.378   5.8727   11.864   26.360   16.965 -13.7400   16.599  106.191   41.872   63.234   30.873 42.95692 52.02283 
1 1 1   10   27   14 o   53.274   25.306  -6.0934   9.4693 -17.7304   12.000   13.110   15.415   50.653   25.028   86.129   37.349 -35.47509 44.95913 
1 1 1   10   27   15 o   95.191   32.107   16.896   9.3869   18.240   17.276   16.333   11.181   92.175   39.754   91.652   34.553 0.5227127 52.67148 
1 1 1   10   27   16 o   42.146   20.990 -17.6607   9.1017 -10.3200   13.850 -23.2400   12.075   59.368   28.807   47.268   23.639 12.10010 37.26445 
1 1 1   10   27   17 o   47.047   22.493  -6.3597   7.7348 -16.2315   9.8350   9.6460   12.523   45.142   22.369   77.896   33.721 -32.75427 40.46537 
1 1 1   10   27   18 o   65.369   26.842   5.7735   7.2837   17.443   10.583  -4.7291   10.040   92.445   33.842   55.093   26.137 37.35183 42.76026 
1 1 1   10   27   19 o  146.863   21.137   33.462   7.8093   35.737   10.759   30.929   11.353  139.889   30.548  123.867   34.240 16.02183 45.88640 
1 1 1   10   27   20 o   47.122   22.264  -3.9958   7.1438  -5.9794   10.131  -2.0338   10.075   53.177   25.508   57.132   26.820 -3.954659 37.01352 
1 1 1   10   27   21 o   53.177   24.166   0.2720   7.2624  -6.1705   10.154   7.0199   10.392   52.521   25.282   68.914   30.258 -16.39292 39.42986 
1 1 1   10   27   22 o   54.428   24.034   2.1375   6.6435   2.7799   8.5744   1.1724   10.509   59.251   26.655   60.170   27.963 -0.9198418 38.63188 
1 1 1   10   27   23 f   60.954   25.662   5.3835   6.9000  -1.0340   15.327   7.0147   7.7273   63.114   30.548   65.174   27.282 -2.060135 40.95736 
1 1 1   10   27   24 o   60.741   26.150   5.3417   7.4479   22.560   16.360   0.8404   8.3650   83.404   37.220   54.700   25.255 28.70370 44.97959 
1 1 1   10   27   25 o   81.760   28.735   14.227   7.5420   34.370   16.296   8.7358   8.5081   97.028   40.031   67.156   28.396 29.87205 49.07980 
1 1 1   10   27   26 o   44.821   21.326  -3.1261   6.7793 -10.9100   15.758  -1.3583   7.5098   55.045   27.446   48.930   23.029 6.114872 35.82729 
1 1 1   10   27   27 o   77.339   28.941   13.656   7.8160   20.730   17.234   11.825   8.7698   75.216   35.236   71.341   29.392 3.875725 45.88491 
1 1 1   10   27   28 o   56.543   25.384   4.3998   7.7311   0.7173   17.122   5.3429   8.6647   60.171   29.762   58.795   26.590 1.376511 39.90962 
1 1 1   10   27   29 o   46.308   22.261  -2.8358   7.8071   16.180   19.154  -6.6243   8.5495   67.186   32.879   44.395   21.776 22.79100 39.43637 
1 1 1   10   27   30 o   48.857   23.915  -3.7209   10.151   0.0000   0.0000  -3.7209   10.151  ?   ?    48.857   23.915 0.000000 23.91491 
1 1 1   10   27   31 o   47.926   23.204  -1.3975   8.8618   27.340   17.933 -10.6824   10.193   69.788   33.595   43.371   21.694 26.41793 39.99090 
1 1 1   10   28    0 o  101.844   33.765   19.138   10.387   16.187   12.721   25.040   17.990   93.032   36.387  105.102   42.549 -12.07000 55.98638 
1 1 1   10   28    1 o  191.950   24.666   57.079   11.980   61.552   14.736   48.360   20.575  191.269   30.788  139.462   47.532 51.80667 56.63238 
1 1 1   10   28    2 o   92.905   36.773   16.237   13.131 -24.2800   17.995   62.380   19.203   60.582   30.060  172.901   43.045 -112.3190 52.50222 
1 1 1   10   28    3 o  126.902   39.687   33.319   14.488   36.670   21.044   30.300   19.976  118.264   46.634  110.444   44.793 7.819443 64.66177 
1 1 1   10   28    4 o   87.061   35.267   13.255   12.367   18.730   17.710   8.0450   17.277   95.545   40.707   82.659   37.450 12.88513 55.31314 
1 1 1   10   28    5 o   75.355   33.468   5.5956   13.065   19.090   18.540  -7.7170   18.415   95.509   41.188   70.414   33.934 25.09456 53.36597 
1 1 1   10   28    6 o   89.995   35.654   15.108   12.355   13.550   18.808   16.290   16.385   88.699   39.722   91.591   39.092 -2.892105 55.73159 
1 1 1   10   28    7 o  214.762   25.812   73.330   14.072   77.920   19.189   67.990   20.696  201.323   38.195  173.584   45.482 27.73973 59.39238 
1 1 1   10   28    8 o   95.846   33.676   17.451   10.359   18.468   12.870   15.580   17.458   95.491   36.807   89.762   39.320 5.729538 53.85903 
1 1 1   10   28    9 o  112.369   33.460   23.889   10.465   20.360   12.646   31.560   18.642   99.117   36.867  110.462   43.786 -11.34470 57.23963 
1 1 1   10   28   10 o  127.237   29.219   27.926   9.4268   9.1220   17.786   35.273   11.117   81.707   37.394  141.004   31.257 -59.29632 48.73716 
1 1 1   10   28   11 o  108.430   34.658   23.375   10.996   0.0000   0.0000   23.375   10.996  ?   ?   108.430   34.658 0.000000 34.65820 
1 1 1   10   28   12 f   68.761   29.192   5.9397   9.0498 -17.7400   16.988   15.323   10.694   60.236   29.766   88.700   33.706 -28.46419 44.96769 
1 1 1   10   28   13 o   56.840   26.648  -3.0742   9.8912   18.380   15.871 -16.7000   12.648   90.506   38.547   52.062   25.719 38.44366 46.33943 
1 1 1   10   28   14 o   83.328   29.541   12.633   7.9870   18.836   10.054   2.0190   13.151   96.921   33.225   68.114   31.525 28.80688 45.80109 
1 1 1   10   28   15 o  103.318   27.593   18.819   7.5238   17.072   10.462   20.691   10.828   91.051   33.599   99.149   34.453 -8.098122 48.12409 
1 1 1   10   28   16 f   55.229   24.286   1.8150   6.7168   0.8167   9.2129   2.9477   9.8135   59.240   27.035   63.360   28.508 -4.120476 39.28931 
1 1 1   10   28   17 o   66.754   26.883   6.9324   7.1413   4.1843   10.460   9.3320   9.7738   65.491   29.453   73.320   30.687 -7.829185 42.53391 
1 1 1   10   28   18 o   82.746   28.075   12.885   7.1776   5.6374   10.108   20.257   10.194   66.516   29.494   96.390   33.434 -29.87463 44.58384 
1 1 1   10   28   19 o   75.437   28.822   10.925   7.8457   8.9083   11.682   12.581   10.590   71.495   31.705   77.472   32.141 -5.977104 45.14702 
1 1 1   10   28   20 f  125.922   25.264   27.776   7.9538   15.832   11.089   40.433   11.415   81.859   33.308  141.697   31.873 -59.83853 46.10110 
1 1 1   10   28   21 o  163.620   19.847   42.587   8.2396   48.539   11.563   36.446   11.744  159.445   29.068  126.617   34.754 32.82747 45.30708 
1 1 1   10   28   22 o   61.723   26.349   6.0991   7.4463   8.8993   10.725   3.4925   10.347   67.857   30.219   60.423   27.964 7.433636 41.17296 
1 1 1   10   28   23 o   39.055   19.509 -14.0488   8.1169 -17.6400   15.247 -12.6286   9.5884   51.481   25.861   43.857   21.792 7.623978 33.81836 
1 1 1   10   28   24 f   70.760   27.850   10.805   7.4924 -13.5800   15.946   17.713   8.4876   53.452   26.794   86.584   30.478 -33.13196 40.58180 
1 1 1   10   28   25 o   38.481   19.012  -9.2252   6.9185  -2.1010   15.735 -10.9325   7.7030   58.137   28.713   39.477   19.602 18.66001 34.76591 
1 1 1   10   28   26 o   49.679   23.201   0.4185   7.3772  -1.6890   16.312   0.9603   8.2714   57.829   28.682   51.904   24.345 5.924709 37.62089 
1 1 1   10   28   27 o   56.927   25.535   5.3440   7.8061   5.5510   16.915   5.2880   8.7991   60.759   29.964   57.424   26.288 3.334919 39.86113 
1 1 1   10   28   28 o   53.536   25.042   3.1784   8.6506   0.0000   0.0000   3.1784   8.6506  ?   ?    53.536   25.042 0.000000 25.04238 
1 1 1   10   28   29 o   42.130   20.756  -6.3617   8.0517 -48.1600   17.228   5.3204   9.1077   41.639   21.421   55.333   25.821 -13.69382 33.54977 
1 1 1   10   28   30 o   49.311   23.959   0.3475   9.6643   55.090   18.293 -20.8477   11.382   89.137   39.594   39.921   20.307 49.21583 44.49796 
1 1 1   10   29    0 o  148.409   27.988   37.209   10.365   40.690   18.413   35.595   12.540  123.651   44.735  134.486   35.483 -10.83513 57.09854 
1 1 1   10   29    1 o  119.759   31.939   26.559   10.090   19.590   18.380   29.566   12.072   91.996   40.320  120.668   35.938 -28.67175 54.01183 
1 1 1   10   29    2 o   82.348   31.308   12.224   9.2289   19.380   17.718   9.5595   10.811   91.873   39.940   77.072   32.267 14.80154 51.34571 
1 1 1   10   29    3 o  128.900   29.300   29.032   9.5613   20.270   16.500   33.462   11.732   93.470   39.535  132.092   34.066 -38.62224 52.18718 
1 1 1   10   29    4 f  119.036   30.270   25.479   9.3545   2.0170   15.601   38.649   11.689   71.839   33.612  145.843   31.834 -74.00369 46.29498 
1 1 1   10   29    5 o  144.152   26.392   34.442   9.4914   32.850   15.111   35.480   12.198  117.332   40.705  134.865   34.712 -17.53313 53.49596 
1 1 1   10   29    6 f  112.271   34.487   25.371   10.996   49.000   16.590   6.8570   14.685  146.214   41.741   75.469   34.322 70.74419 54.03993 
1 1 1   10   29    7 o   81.678   33.032   12.454   10.830   17.170   16.522   8.9020   14.341   88.042   38.417   77.352   34.659 10.69003 51.74091 
1 1 1   10   29    8 o   96.106   34.696   19.359   11.068   2.5650   17.828   29.890   14.118   73.550   34.874  112.515   39.327 -38.96519 52.56261 
1 1 1   10   29    9 o   73.223   31.350   8.1823   10.597   1.9020   16.637   12.470   13.746   71.567   33.863   81.129   35.225 -9.562172 48.86177 
1 1 1   10   29   10 o   62.054   28.283   1.4809   10.041  -1.7460   15.236   3.9580   13.349   66.647   31.782   69.766   32.100 -3.119545 45.17231 
1 1 1   10   29   11 o   65.023   27.225   5.6810   7.6980   6.9016   10.730   4.3865   11.050   70.548   30.867   67.219   30.247 3.329285 43.21625 
1 1 1   10   29   12 o   75.500   28.476   10.199   7.5964   19.476   11.020   1.7983   10.486   94.294   34.531   62.613   28.676 31.68028 44.88601 
1 1 1   10   29   13 f   67.851   27.284   7.3699   7.3436  -3.8985   10.240   19.301   10.537   55.274   26.273   94.123   33.870 -38.84858 42.86573 
1 1 1   10   29   14 o  110.666   27.220   21.965   7.7488   14.181   10.940   29.803   10.977   81.545   33.121  119.149   33.932 -37.60359 47.41742 
1 1 1   10   29   15 o   50.419   23.125  -0.6096   6.8541   6.4470   9.8490  -7.2367   9.5445   67.010   29.439   49.798   24.104 17.21191 38.04768 
1 1 1   10   29   16 o   64.442   26.556   6.5826   7.1612   1.7778   10.022   11.595   10.236   59.964   27.671   75.269   31.445 -15.30552 41.88606 
1 1 1   10   29   17 o  130.726   23.885   29.163   7.7899   26.078   10.821   32.483   11.224  105.578   34.438  120.723   34.286 -15.14452 48.59561 
1 1 1   10   29   18 o  162.891   19.901   42.324   8.2224   38.435   11.725   46.087   11.533  131.667   34.106  153.135   30.149 -21.46788 45.52103 
1 1 1   10   29   19 o   97.235   27.420   18.596   7.2047   18.750   9.5930   18.397   10.912   88.204   32.231   84.005   33.436 4.199959 46.44128 
1 1 1   10   29   20 o   97.351   28.734   19.792   7.7442   11.842   11.137   27.235   10.776   70.898   31.222  103.294   34.399 -32.39624 46.45531 
1 1 1   10   29   21 o   41.683   20.296  -6.3764   7.0356 -14.8764   10.527   0.4857   9.4583   44.183   22.092   54.278   25.636 -10.09472 33.84204 
1 1 1   10   29   22 o   50.799   23.353   1.3039   7.0450  -4.4019   9.6116   7.9281   10.356   49.169   23.890   63.373   28.822 -14.20409 37.43580 
1 1 1   10   29   23 o   73.786   28.407   12.875   7.6584   15.677   11.100   10.330   10.580   73.196   31.717   65.681   29.572 7.515358 43.36424 
1 1 1   10   29   24 o   73.048   28.569   13.137   7.8408   22.970   16.824   10.408   8.8621   72.978   34.383   65.756   28.416 7.221397 44.60614 
1 1 1   10   29   25 o   48.268   22.903  -0.3809   7.7146  -9.9900   16.398   2.3503   8.7425   52.452   26.410   52.981   24.907 -0.5293617 36.30244 
1 1 1   10   29   26 o   46.532   22.214  -0.9954   7.4850 -19.3300   17.212   3.2807   8.3121   49.052   24.953   52.902   24.680 -3.850601 35.09655 
1 1 1   10   29   27 o   42.773   21.342  -9.4825   9.5972   0.0000   0.0000  -9.4825   9.5972  ?   ?    42.773   21.342 0.000000 21.34199 
1 1 1   10   29   28 o   63.070   28.151   12.448   9.3643   3.0910   17.752   16.055   11.023   54.523   27.456   65.651   29.810 -11.12782 40.52753 
1 1 1   10   30    0 o   77.781   29.916   11.249   8.4875   5.7698   12.898   15.435   11.272   70.458   32.090   85.141   33.953 -14.68319 46.71861 
1 1 1   10   30    1 o   74.280   29.238   9.7778   8.2579   8.3540   12.222   10.974   11.202   73.278   32.466   76.930   32.559 -3.651512 45.97936 
1 1 1   10   30    2 o   78.055   29.730   11.336   8.3314   12.089   12.974   10.807   10.869   78.807   34.218   76.562   32.219 2.245277 46.99941 
1 1 1   10   30    3 o   50.956   23.682  -2.0173   7.5373  -0.8431   10.989  -3.0604   10.358   60.224   28.188   56.607   26.764 3.617142 38.87033 
1 1 1   10   30    4 o   96.398   29.760   17.763   8.1764   20.872   12.002   15.071   11.169   95.013   35.803   84.218   33.725 10.79433 49.18568 
1 1 1   10   30    5 o   88.769   29.149   14.980   7.7477   13.978   11.744   15.752   10.310   81.616   33.853   86.346   33.027 -4.730461 47.29500 
1 1 1   10   30    6 o   69.826   28.132   8.1285   7.8232   11.051   11.882   5.8924   10.394   76.459   32.973   67.686   29.966 8.773148 44.55540 
1 1 1   10   30    7 o   90.717   29.604   15.968   7.9958   9.3925   12.620   20.378   10.335   73.948   32.865   96.777   33.657 -22.82925 47.04208 
1 1 1   10   30    8 o   73.954   29.926   10.094   8.8952   28.800   17.830   3.8959   10.264   96.117   40.895   64.172   28.988 31.94525 50.12708 
1 1 1   10   30    9 o   68.066   27.772   7.6844   7.7355   5.3719   11.411   9.6506   10.522   67.117   30.419   72.925   31.231 -5.808220 43.59685 
1 1 1   10   30   10 o  122.438   25.525   26.020   7.8330   33.492   11.868   20.251   10.427  122.977   35.365   94.602   33.730 28.37493 48.87072 
1 1 1   10   30   11 o   86.486   28.316   14.536   7.3128   8.5293   9.9777   21.507   10.749   69.944   30.189   96.007   34.245 -26.06297 45.65209 
1 1 1   10   30   12 o  122.836   25.519   26.546   7.8545   21.889   11.095   31.225   11.121   94.991   34.670  118.776   34.257 -23.78545 48.73931 
1 1 1   10   30   13 o   95.138   28.039   17.631   7.3790   2.6573   10.190   34.136   10.699   60.516   27.918  128.065   32.267 -67.54893 42.66791 
1 1 1   10   30   14 o  116.722   25.855   24.699   7.6112   25.443   10.965   24.008   10.573  101.689   34.699   99.671   34.074 2.017273 48.63197 
1 1 1   10   30   15 o   54.878   24.360   2.8744   6.9125   9.5829   9.6213  -4.2831   9.9379   69.015   29.717   51.641   24.897 17.37442 38.76800 
1 1 1   10   30   16 o   63.459   26.603   7.2065   7.3640   8.7966   10.366   5.5864   10.463   66.877   29.751   62.492   28.630 4.384392 41.28927 
1 1 1   10   30   17 o   66.155   26.957   8.7043   7.2758   1.0310   10.283   16.396   10.296   56.285   26.629   79.009   32.116 -22.72418 41.71995 
1 1 1   10   30   18 o   90.816   28.149   17.664   7.3073   16.683   10.401   18.620   10.269   78.105   32.073   82.341   32.542 -4.235901 45.69119 
1 1 1   10   30   19 o   55.888   24.807   4.4034   7.1682   4.1823   10.496   4.5968   9.8134   58.484   27.429   58.463   27.119 0.2098846E-01 38.57205 
1 1 1   10   30   20 o   72.536   27.860   12.288   7.3545   18.997   10.454   5.7143   10.349   79.850   32.397   59.363   27.642 20.48725 42.58673 
1 1 1   10   30   21 o   43.614   21.133  -4.2409   7.3838  -0.1896   10.545  -8.1376   10.342   52.843   25.519   46.485   23.017 6.358799 34.36575 
1 1 1   10   30   22 o  110.555   28.725   27.242   8.3009   26.331   11.829   28.126   11.652   86.329   34.658   90.714   35.007 -4.384430 49.26109 
1 1 1   10   30   23 o   70.564   28.269   13.099   7.8509   26.758   11.257   0.1649   10.955   87.913   34.273   52.288   25.428 35.62529 42.67627 
1 1 1   10   30   24 o   47.197   22.548  -0.3377   7.7428   0.0849   16.616  -0.4550   8.7511   54.864   27.480   48.555   23.398 6.309135 36.09168 
1 1 1   10   30   25 o   39.463   19.741 -10.5899   8.4521   0.0000   0.0000 -10.5899   8.4521  ?   ?    39.463   19.741 0.000000 19.74146 
1 1 1   10   30   26 o   41.910   20.798  -6.5483   8.6256 -15.1000   16.825  -3.4994   10.046   47.424   24.176   46.132   22.814 1.292347 33.24072 
1 1 1   10   30   27 o   63.096   28.006   13.970   9.1353   19.550   17.582   11.906   10.692   58.810   29.270   58.282   27.444 0.5281906 40.12361 
1 1 1   10   31    0 o   49.439   23.121  -1.9139   7.3664   1.1479   11.037  -4.3731   9.8919   60.412   28.268   52.688   25.256 7.724785 37.90673 
1 1 1   10   31    1 o   52.221   24.276  -0.9070   7.9287 -13.8447   11.687   10.126   10.792   49.241   24.397   72.233   31.287 -22.99275 39.67424 
1 1 1   10   31    2 o   58.292   26.042   3.0208   8.0322  -1.5942   12.087   6.6707   10.749   59.143   28.232   66.943   30.000 -7.800346 41.19563 
1 1 1   10   31    3 f   55.122   24.999   1.4504   7.7220  -3.8105   12.193   4.9734   9.9779   57.309   27.617   63.783   28.718 -6.473862 39.84241 
1 1 1   10   31    4 o  103.776   29.548   21.433   8.3250   34.570   12.969   12.227   10.857  117.034   37.664   75.389   31.989 41.64440 49.41476 
1 1 1   10   31    5 o  109.461   28.707   23.169   8.2399   0.2805   12.394   41.299   11.031   60.920   28.941  145.915   30.181 -84.99458 41.81503 
1 1 1   10   31    6 o  124.013   29.607   30.034   9.3792   28.320   19.243   30.569   10.741   87.747   39.659  117.682   33.583 -29.93549 51.96842 
1 1 1   10   31    7 o   77.461   29.950   12.756   8.5414   13.810   15.482   12.295   10.241   75.195   34.588   74.920   31.388 0.2746506 46.70646 
1 1 1   10   31    8 o   71.659   27.886   10.106   7.4421   0.9097   11.359   17.023   9.8510   59.473   28.091   84.805   32.321 -25.33123 42.82243 
1 1 1   10   31    9 o  100.695   27.891   19.894   7.5248   3.2774   10.775   35.713   10.513   61.001   28.338  131.410   31.328 -70.40833 42.24328 
1 1 1   10   31   10 o   49.413   23.041  -0.9217   7.2305   4.3438   10.369  -5.9053   10.088   61.463   28.284   50.424   24.494 11.03912 37.41582 
1 1 1   10   31   11 o  116.960   25.327   25.036   7.4509   23.796   10.196   26.456   10.915   98.033   33.461  101.549   34.620 -3.515472 48.14750 
1 1 1   10   31   12 o   48.133   22.610  -1.3575   7.1785  -2.6555   10.216  -0.0915   10.089   52.801   25.402   55.109   26.161 -2.308754 36.46461 
1 1 1   10   31   13 o   97.693   28.822   20.339   7.7933   3.6487   10.628   39.754   11.462   59.208   27.715  130.458   33.687 -71.24986 43.62248 
1 1 1   10   31   14 o   74.520   28.134   12.489   7.4198   20.267   10.466   4.6283   10.521   84.935   33.065   59.583   27.787 25.35204 43.18998 
1 1 1   10   31   15 o   58.589   25.721   5.7838   7.5067  -4.4136   10.831   15.211   10.414   50.869   24.858   73.958   31.352 -23.08894 40.01070 
1 1 1   10   31   16 o   48.544   22.597   0.4190   6.9077  -1.6170   9.4977   2.7055   10.065   50.718   24.424   55.771   26.373 -5.052753 35.94539 
1 1 1   10   31   17 o   77.576   28.674   14.780   7.6256   14.128   10.986   15.387   10.593   69.319   30.743   71.806   31.049 -2.486458 43.69389 
1 1 1   10   31   18 o   48.207   22.664   0.3140   7.2407   1.9237   10.246  -1.2922   10.234   53.901   25.802   50.989   24.746 2.911644 35.75050 
1 1 1   10   31   19 o   53.924   24.515   4.3870   7.4830   3.5484   10.357   5.3030   10.824   54.945   26.202   56.926   27.044 -1.980896 37.65562 
1 1 1   10   31   20 o   73.252   29.149   15.076   8.2918   6.6492   12.137   22.452   11.355   57.789   27.773   78.182   32.918 -20.39315 43.06874 
1 1 1   10   31   21 o   61.501   26.644   9.5167   7.8302   7.0036   11.101   12.005   11.046   57.152   27.220   62.506   28.916 -5.353508 39.71207 
1 1 1   10   31   22 o   64.117   27.099   11.257   7.7433   20.732   10.607   0.4463   11.330   74.582   31.631   51.001   25.026 23.58182 40.33363 
1 1 1   10   31   23 o   46.353   22.653  -1.6210   8.9994  -5.2830   14.301   0.7798   11.579   49.166   24.744   50.543   24.899 -1.377220 35.10328 
1 1 1   10   31   24 o   41.796   21.186 -14.6195   11.656 -43.8400   17.567   8.3670   15.580   40.962   21.101   54.683   27.270 -13.72094 34.48018 
1 1 1   10   31   25 o   42.850   21.306  -4.6633   9.2240   19.510   16.687 -15.2993   11.069   58.048   28.828   40.018   20.323 18.02983 35.27112 
1 1 1   10   32    0 o  105.122   28.466   22.533   7.9418   22.533   11.533   22.533   10.952   89.130   34.706   91.028   34.221 -1.898186 48.74004 
1 1 1   10   32    1 o   62.024   26.627   6.6073   7.6820 -10.9527   11.242   21.987   10.521   48.398   23.970   91.286   33.693 -42.88866 41.34924 
1 1 1   10   32    2 o  118.660   26.284   26.590   7.8659   32.661   11.056   20.368   11.193  115.813   34.371   85.556   33.924 30.25713 48.29262 
1 1 1   10   32    3 o   67.406   27.855   9.2701   7.9089   10.545   11.598   8.1617   10.813   68.644   30.929   65.442   29.640 3.201363 42.83833 
1 1 1   10   32    4 o   53.791   24.514   2.1495   7.5399 -12.0534   10.879   15.280   10.460   46.817   23.254   76.730   31.898 -29.91306 39.47438 
1 1 1   10   32    5 o   79.249   30.756   15.365   9.0334   28.350   16.589   9.8912   10.770   84.620   37.641   67.384   30.126 17.23576 48.21197 
1 1 1   10   32    6 o   47.040   22.350  -2.3564   7.3950  -3.7734   11.043  -1.2043   9.9574   52.637   25.583   53.249   25.475 -0.6123238 36.10355 
1 1 1   10   32    7 f   91.067   28.693   18.087   7.5574   11.274   10.794   24.638   10.585   68.606   30.448   95.097   33.976 -26.49049 45.62234 
1 1 1   10   32    8 o   90.008   29.089   18.189   7.7299   23.839   11.548   13.603   10.405   88.563   34.661   72.035   30.959 16.52766 46.47399 
1 1 1   10   32    9 o   96.613   28.348   20.166   7.5573   16.882   10.543   23.635   10.838   76.953   32.010   89.888   33.987 -12.93526 46.68777 
1 1 1   10   32   10 o   72.844   28.269   12.499   7.6312   15.209   11.170   10.128   10.450   72.304   31.568   65.391   29.421 6.912216 43.15202 
1 1 1   10   32   11 o   84.389   29.093   17.019   7.7134   16.988   10.932   17.051   10.885   74.710   31.910   74.904   31.913 -0.1936874 45.13001 
1 1 1   10   32   12 o   79.973   29.178   15.967   7.8572   9.1346   11.281   22.404   10.950   62.626   29.060   83.611   33.424 -20.98511 44.29027 
1 1 1   10   32   13 o   50.658   23.622   1.6731   7.5998 -10.5809   10.875   13.368   10.625   45.538   22.721   67.712   30.122 -22.17406 37.72983 
1 1 1   10   32   14 o   54.142   24.197   4.6685   6.9423   0.3163   9.1443   10.590   10.666   50.730   24.308   63.089   28.904 -12.35870 37.76674 
1 1 1   10   32   15 o   62.267   26.520   9.2213   7.5120   2.7933   11.050   14.745   10.243   54.302   26.199   68.568   30.075 -14.26571 39.88585 
1 1 1   10   32   16 o   54.379   24.708   5.1682   7.5885  -3.7776   10.536   14.810   10.939   48.171   23.735   66.698   30.046 -18.52737 38.28972 
1 1 1   10   32   17 o   51.662   23.894   3.7051   7.5358   3.6945   10.475   3.7166   10.849   53.592   25.768   53.807   25.960 -0.2144279 36.57721 
1 1 1   10   32   18 o   56.547   25.377   7.1813   7.7196   8.0741   10.960   6.3024   10.874   57.228   27.196   55.525   26.580 1.702843 38.02761 
1 1 1   10   32   19 o   80.245   29.649   19.093   8.1519   0.3055   11.222   40.082   11.861   50.207   24.691  105.920   36.090 -55.71305 43.72807 
1 1 1   10   32   20 o   79.837   29.287   18.983   7.9316   14.377   10.962   24.044   11.491   62.173   28.778   74.070   32.183 -11.89704 43.17265 
1 1 1   10   32   21 f   55.927   26.784   9.5980   11.068   19.730   15.258  -1.6570   16.081   60.824   29.675   50.229   25.395 10.59546 39.05779 
1 1 1   10   32   22 o   35.179   17.930 -19.6322   9.2120 -20.4819   11.446 -18.0700   15.521   38.637   19.718   43.844   22.423 -5.206631 29.85941 
1 1 1   10   32   23 o   40.309   20.245  -7.9376   9.3251   1.3480   16.605 -12.2150   11.270   49.200   24.976   40.842   20.717 8.358459 32.44967 
1 1 1   10   32   24 o   56.421   25.880   11.821   8.5860   10.325   10.082   15.770   16.380   53.041   25.444   52.964   26.632 0.7700348E-01 36.83318 
1 1 1   10   33    0 o   47.595   22.710  -1.3349   7.8042  -2.0115   11.225  -0.7018   10.858   52.069   25.414   52.688   25.552 -0.6190681 36.03880 
1 1 1   10   33    1 o  109.359   28.018   25.721   7.9723   35.913   11.540   16.416   11.026  111.418   35.494   72.541   31.522 38.87635 47.47055 
1 1 1   10   33    2 o   57.219   25.588   5.6936   7.7762   3.2062   11.255   7.9658   10.757   56.374   27.000   61.094   28.359 -4.720558 39.15668 
1 1 1   10   33    3 o   65.117   28.508   10.595   9.1651 -18.7900   16.796   23.054   10.937   49.838   25.281   84.402   33.512 -34.56420 41.97827 
1 1 1   10   33    4 f   74.281   30.381   15.719   9.2851  -9.8330   16.105   28.442   11.364   52.330   26.327   93.535   34.918 -41.20483 43.73030 
1 1 1   10   33    5 o   63.814   27.120   9.5506   7.8251   8.1902   11.362   10.778   10.793   60.760   28.510   63.893   29.199 -3.132710 40.80930 
1 1 1   10   33    6 o   43.330   21.022  -4.0412   7.3700  -3.0659   10.563  -4.9663   10.288   49.775   24.371   47.982   23.605 1.792904 33.92860 
1 1 1   10   33    7 o   60.478   26.275   8.1021   7.6586   16.272   11.253   1.0531   10.453   70.035   31.085   52.766   25.464 17.26897 40.18281 
1 1 1   10   33    8 o   60.724   26.167   8.3665   7.4718   24.619   11.211  -4.6208   10.022   83.527   33.668   47.384   23.308 36.14334 40.94888 
1 1 1   10   33    9 o   59.099   25.837   7.7302   7.5052   13.482   10.545   1.8243   10.685   65.887   29.607   52.975   25.608 12.91192 39.14521 
1 1 1   10   33   10 o   59.767   26.229   8.3990   7.7998   6.1527   11.108   10.584   10.955   56.669   27.055   61.296   28.508 -4.627415 39.30252 
1 1 1   10   33   11 o   42.234   20.619  -4.2697   7.4010   0.7135   10.829  -8.6379   10.138   51.393   25.057   44.097   21.992 7.296436 33.33915 
1 1 1   10   33   12 o   80.145   29.199   17.939   7.8646   26.557   11.264   9.7415   10.986   83.011   33.646   59.173   27.850 23.83828 43.67756 
1 1 1   10   33   13 f   39.633   19.687  -7.9429   7.7988  -3.2863   11.525 -11.8761   10.592   48.448   24.043   42.478   21.367 5.969936 32.16531 
1 1 1   10   33   14 o   52.863   24.275   5.2967   7.5823   1.4484   10.608   9.3172   10.842   50.491   24.658   57.557   27.264 -7.065220 36.76017 
1 1 1   10   33   15 o   62.842   27.050   11.656   7.9669   5.2323   11.200   18.236   11.335   53.270   25.861   66.500   30.209 -13.22944 39.76641 
1 1 1   10   33   16 o   58.160   25.973   9.4121   7.9822   11.434   11.640   7.6170   10.967   57.896   27.656   54.676   26.308 3.220425 38.17050 
1 1 1   10   33   17 o   48.891   23.163   3.2617   7.8322  -5.0609   10.906   12.127   11.255   45.133   22.555   58.006   27.564 -12.87279 35.61564 
1 1 1   10   33   18 o   66.662   28.859   16.846   9.1727   17.670   14.828   16.336   11.675   58.477   28.682   60.717   28.617 -2.239758 40.51667 
1 1 1   10   33   19 o   45.050   22.460  -2.6297   10.541   10.440   14.840 -15.9400   14.976   53.314   26.591   43.489   22.224 9.824146 34.65521 
1 1 1   10   33   20 o   61.971   28.927   19.817   11.443   18.850   16.716   20.670   15.698   55.213   27.641   56.801   28.166 -1.588081 39.46375 
1 1 1   10   33   21 o   47.061   23.506   2.6227   11.777   20.750   17.380 -12.7700   16.015   54.076   27.223   43.521   22.297 10.55442 35.18886 
1 1 1   10   33   22 o   52.959   25.210   11.463   9.4976   13.242   11.881   8.3120   15.809   52.289   25.652   48.537   24.611 3.751667 35.54914 
1 1 1   10   34    0 o   54.389   24.825   5.9967   7.7707  -7.4759   11.088   19.001   10.894   45.509   22.743   70.325   30.926 -24.81610 38.38848 
1 1 1   10   34    1 o   63.198   27.994   12.152   9.0823   8.4000   16.921   13.670   10.764   56.850   28.361   63.187   28.981 -6.336189 40.54973 
1 1 1   10   34    2 f  101.492   32.380   30.277   9.6013   42.620   19.000   26.044   11.127   74.836   35.633   81.374   33.267 -6.537849 48.74799 
1 1 1   10   34    3 o   57.687   25.722   8.1467   7.7953   5.9920   11.206   10.167   10.851   54.814   26.430   58.857   27.695 -4.042267 38.28234 
1 1 1   10   34    4 o   48.152   22.879   1.5187   7.7517  -3.3936   11.238   5.9780   10.707   47.852   23.746   54.561   26.186 -6.708328 35.34914 
1 1 1   10   34    5 o   40.607   20.049  -5.9485   7.6495   8.4457   11.174 -18.6458   10.494   56.638   27.067   38.993   19.801 17.64547 33.53614 
1 1 1   10   34    6 f  125.372   26.192   34.256   8.2317   31.979   11.389   36.748   11.912   90.091   34.653   96.616   35.812 -6.525864 49.83273 
1 1 1   10   34    7 o   53.704   24.719   6.1354   7.9264   6.8124   11.417   5.5053   11.013   54.619   26.419   53.482   25.888 1.136387 36.98878 
1 1 1   10   34    8 o   63.436   27.130   12.093   7.9203   16.022   11.657   8.7244   10.794   62.875   29.297   56.040   26.732 6.834209 39.65999 
1 1 1   10   34    9 o   48.953   22.930   3.2850   7.2947   7.2172   10.776  -0.0410   9.9107   54.255   26.099   47.847   23.464 6.407688 35.09560 
1 1 1   10   34   10 o   62.419   26.841   11.929   7.8287  -1.2771   11.297   24.133   10.859   47.846   23.754   74.816   31.876 -26.97038 39.75311 
1 1 1   10   34   11 o   44.284   21.533  -0.9478   7.8474  -8.6180   11.105   6.7034   11.091   43.361   21.820   53.007   25.734 -9.645878 33.73935 
1 1 1   10   34   12 o   47.129   22.444   2.3413   7.5449   4.2225   10.483   0.3192   10.868   50.519   24.636   47.890   23.691 2.628937 34.17903 
1 1 1   10   34   13 o   43.392   21.170  -1.2074   7.7641   9.8530   11.459 -10.5951   10.557   54.523   26.396   41.198   20.799 13.32577 33.60563 
1 1 1   10   34   14 f   58.489   26.888   12.555   9.3386   17.410   16.349   10.204   11.377   56.097   27.969   54.245   26.271 1.852516 38.37185 
1 1 1   10   34   15 o   89.513   33.930   34.549   10.820   36.770   14.315   31.590   16.523   72.428   33.294   62.580   30.607 9.847694 45.22450 
1 1 1   10   34   16 o   46.014   22.959   0.0961   11.106   16.950   16.637 -13.4500   14.915   53.950   27.089   43.203   22.086 10.74720 34.95125 
1 1 1   10   34   17 o   48.223   23.743   5.0051   10.481   9.2350   16.539   2.1660   13.550   50.069   25.364   47.233   23.811 2.835831 34.78929 
1 1 1   10   34   18 o   52.834   25.761   13.060   11.449   16.830   16.205   9.3030   16.178   51.884   26.141   49.131   24.910 2.753387 36.10895 
1 1 1   10   34   19 o   49.503   23.822   8.4517   8.9990   9.5340   11.285   6.5620   14.913   49.256   24.325   47.186   23.923 2.070099 34.11814 
1 1 1   10   34   20 o   35.289   17.833  -8.8399   7.8732   4.5898   11.155 -22.1712   11.114   45.204   22.623   34.948   17.948 10.25597 28.87776 
1 1 1   10   35    0 o   41.377   21.016 -13.2982   11.864   1.6250   16.611 -28.8400   16.952   49.756   25.229   42.008   21.592 7.747498 33.20701 
1 1 1   10   35    1 f   41.646   20.809  -5.9485   9.2678  -4.0070   17.490  -6.7065   10.928   48.272   24.612   43.217   21.734 5.055084 32.83484 
1 1 1   10   35    2 o   46.000   22.524   0.6327   9.0286 -42.6700   16.283   19.858   10.849   38.785   19.995   65.015   29.542 -26.22986 35.67234 
1 1 1   10   35    3 o   38.604   19.419  -9.7132   8.7522   1.8730   15.364 -15.2793   10.649   49.487   24.997   38.990   19.814 10.49768 31.89712 
1 1 1   10   35    4 o   42.812   21.254  -3.4769   9.0411   14.910   17.427 -10.2482   10.576   54.284   27.319   40.974   20.702 13.31002 34.27693 
1 1 1   10   35    5 o   53.532   25.293   8.7569   9.2216   12.080   16.758   7.3135   11.044   53.155   26.756   51.645   25.208 1.509968 36.76013 
1 1 1   10   35    6 o   64.304   28.307   16.724   9.1473   30.090   16.560   10.855   10.973   61.724   30.282   54.361   26.197 7.362808 40.04058 
1 1 1   10   35    7 o   53.286   25.324   9.0931   9.5076 -13.2200   17.549   18.363   11.311   45.226   23.182   60.933   28.545 -15.70708 36.77264 
1 1 1   10   35    8 o   39.959   20.072  -7.6322   9.1852  -7.0030   16.167  -7.9320   11.161   45.952   23.450   42.189   21.310 3.763077 31.68575 
1 1 1   10   35    9 o   51.480   25.193   8.5606   11.247  -0.7221   14.693   21.700   17.481   47.107   23.869   55.364   27.794 -8.256321 36.63659 
1 1 1   10   35   10 o   57.256   27.563   17.265   12.073   8.7110   16.575   26.930   17.619   50.328   25.484   56.911   28.475 -6.582584 38.21316 
1 1 1   10   35   11 o   44.707   22.379  -0.8861   10.939 -11.2500   15.589   9.1680   15.355   43.601   22.312   50.151   25.290 -6.549973 33.72563 
1 1 1   10   35   12 o   40.425   20.267  -5.1080   9.1377  -5.6800   11.316  -4.0360   15.491   42.264   21.361   45.161   23.038 -2.897060 31.41710 
1 1 1   10   35   13 o   38.985   19.829 -11.6480   10.834  -1.6330   15.729 -20.6900   14.945   45.435   23.181   40.117   20.612 5.317657 31.01933 
1 1 1   10   35   14 o   42.647   21.532  -2.8629   11.324   26.620   16.546 -28.8400   15.531   54.465   27.301   38.505   19.835 15.96063 33.74582 
1 1 1   10   35   15 o   44.003   22.093   1.4416   11.054   6.3850   16.116  -2.9500   15.190   46.497   23.700   43.682   22.327 2.815266 32.56025 
1 1 1   10   35   16 o   44.990   22.146   4.8210   9.0990   7.7864   11.230  -0.8453   15.524   46.703   23.268   43.611   22.313 3.092178 32.23777 
1 1 1   10   35   17 o   45.478   22.110   6.2774   8.2660  -2.7404   11.530   15.815   11.857   40.936   20.784   50.112   24.783 -9.176338 32.34421 
1 1 1   10   36    0 o   44.443   21.936   2.1631   9.1324 -13.4000   15.679   10.155   11.235   41.938   21.525   50.045   24.630 -8.107628 32.70990 
1 1 1   10   36    1 o   55.671   26.031   14.135   9.3307   5.9680   15.877   18.443   11.532   47.315   24.059   56.186   27.021 -8.871685 36.17963 
1 1 1   10   36    2 o   37.734   19.022  -7.7374   8.6429  -8.6350   14.361  -7.2276   10.822   42.450   21.698   40.459   20.499 1.990608 29.84957 
1 1 1   10   36    3 o   46.911   22.818   5.3780   8.8325  -2.5630   15.282   9.3613   10.823   44.531   22.731   49.594   24.361 -5.062931 33.31898 
1 1 1   10   36    4 o   47.348   23.079   6.0213   9.1697   3.1730   15.515   7.5505   11.368   46.205   23.523   48.107   23.874 -1.901562 33.51551 
1 1 1   10   36    5 o   36.272   18.408 -11.3885   8.9801  -9.0390   15.296 -12.6242   11.093   42.546   21.797   38.428   19.593 4.117451 29.30891 
1 1 1   10   36    6 o   36.320   18.425 -10.8923   8.9300   20.200   15.180 -27.3476   11.043   52.270   26.193   33.888   17.419 18.38214 31.45645 
1 1 1   10   36    7 o   52.326   24.990   12.320   9.4925   10.040   16.432   13.463   11.629   47.637   24.248   51.076   25.121 -3.438206 34.91484 
1 1 1   10   36    8 o   46.625   23.119   6.5341   10.573   8.3730   15.325   4.8640   14.605   46.897   23.826   45.744   23.242 1.153191 33.28433 
1 1 1   10   36    9 o   38.184   19.424  -9.5801   10.428  -4.1960   15.036 -14.5700   14.475   42.746   21.877   39.866   20.474 2.880566 29.96335 
1 1 1   10   36   10 o   39.547   19.891  -3.3610   9.1652  -1.5027   11.669  -6.3540   14.808   42.001   21.281   41.729   21.383 0.2721024 30.16802 
1 1 1   10   36   11 o   48.853   23.713   10.640   9.4053   14.191   11.794   4.4360   15.588   49.339   24.457   44.319   22.650 5.020294 33.33357 
1 1 1   10   36   12 o   40.380   20.061   0.4922   8.1113   8.6315   11.072  -8.9377   11.917   45.821   22.872   38.674   19.768 7.146072 30.23102 
1 1 1   10   36   13 o   44.786   22.506   8.2779   11.603   8.2779   11.603   0.0000   0.0000   44.786   22.506  ?   ?  0.000000 22.50606 
1 1 1   10   36   14 o   49.614   23.596   12.302   8.2811   4.0424   11.854   20.176   11.574   42.160   21.370   50.767   24.987 -8.607189 32.87942 
1 1 1   10   36   15 o   36.020   18.215  -4.6047   8.2966  -9.2863   11.728   0.0845   11.738   36.951   18.941   39.931   20.341 -2.979584 27.79438 
1 1 1   10   37    0 o   49.813   23.600   11.698   8.1314   6.9859   10.976   17.431   12.106   44.038   22.097   49.049   24.391 -5.011280 32.91196 
1 1 1   10   37    1 o   49.749   23.779   12.395   8.6339   17.441   11.928   6.8400   12.514   49.262   24.449   43.749   22.152 5.513390 32.99143 
1 1 1   10   37    2 o   45.252   22.099   7.6437   8.5209   7.9937   12.059   7.2947   12.042   44.259   22.331   43.955   22.194 0.3033485 31.48374 
1 1 1   10   37    3 o   50.186   23.915   12.908   8.5944   9.6024   11.907   16.504   12.418   44.937   22.611   48.054   24.022 -3.117172 32.98962 
1 1 1   10   37    4 o   46.011   22.224   8.3486   8.0067   1.2342   11.049   16.215   11.619   41.071   20.798   48.478   24.072 -7.407063 31.81171 
1 1 1   10   37    5 o   47.489   22.863   10.338   8.3117   20.214   11.656   0.1197   11.856   50.684   24.972   40.673   20.692 10.01176 32.43084 
1 1 1   10   37    6 o   37.927   19.027  -1.5402   8.1205  -0.1647   11.427  -2.9435   11.542   40.232   20.453   39.265   20.017 0.9672928 28.61844 
1 1 1   10   37    7 o   51.151   24.230   14.831   8.5652   3.1139   11.941   27.246   12.292   41.299   20.987   53.304   26.139 -12.00508 33.52109 
1 1 1   10   37    8 f   45.101   21.787   8.3613   7.7020   8.6599   10.326   7.9869   11.563   43.678   21.846   42.945   21.692 0.7325287 30.78571 
1 1 1   10   37    9 o   42.700   21.037   6.5895   8.2676   10.410   11.414   2.3730   11.991   43.637   21.980   40.302   20.533 3.335621 30.07844 
1 1 1   10   37   10 o   45.447   22.065   10.273   8.1584   11.365   11.872   9.2972   11.230   43.304   21.886   42.656   21.525 0.6477585 30.69733 
1 1 1   10   37   11 o   39.378   19.560   3.3795   7.6984  -4.3442   11.110   10.513   10.677   36.947   18.902   42.881   21.554 -5.934296 28.66809 
1 1 1   10   38    0 o   42.477   20.957   9.6026   8.3078   17.784   12.165   2.4519   11.373   43.473   21.992   38.076   19.450 5.396790 29.35947 
1 1 1   10   38    1 o   35.625   18.043  -1.5030   8.3420   3.2732   12.182  -5.7204   11.447   38.376   19.645   35.657   18.307 2.718998 26.85239 
1 1 1   10   38    2 o   33.810   17.188  -4.8516   8.0651 -11.1155   11.726   0.7718   11.110   34.408   17.700   37.436   19.131 -3.027531 26.06323 
1 1 1   10   38    3 o   36.387   18.340   0.5030   8.0198   11.208   11.047 -11.4248   11.661   41.263   20.884   34.224   17.608 7.039234 27.31637 
1 1 1   10   38    4 o   40.535   20.121   7.2794   8.0917   0.1191   11.191   15.125   11.714   37.006   18.935   42.303   21.421 -5.297577 28.58990 
1 1 1   10   38    5 o   37.159   18.701   2.3523   8.1707 -11.8868   11.750   15.686   11.370   33.907   17.456   42.540   21.489 -8.632877 27.68582 
1 1 1   10   38    6 o   40.942   20.411   9.2415   8.7029   8.1576   12.124   10.394   12.500   39.047   19.957   39.644   20.262 -0.5973206 28.44021 
1 1 1   11    0    0 o  401.539   11.633  209.526   12.076  209.526   12.076  209.526   12.076  401.539   11.633  401.539   11.633 0.000000 0.000000 
1 1 1   11    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    5 o  1113.53   17.346  1610.46   50.006  1610.46   50.006  1610.46   50.006  1113.53   17.346  1113.53   17.346 0.000000 0.000000 
1 1 1   11    0    6 o  831.287   14.503  897.172   31.207  897.172   31.207  897.172   31.207  831.287   14.503  831.287   14.503 0.000000 0.000000 
1 1 1   11    0    7 o  158.926   12.628   33.366   5.1232   33.366   5.1232   33.366   5.1232  158.926   12.628  158.926   12.628 0.000000 0.000000 
1 1 1   11    0    8 o   31.539   19.781   0.6656   3.3565   0.6656   3.3565   0.6656   3.3565   31.539   19.781   31.539   19.781 0.000000 0.000000 
1 1 1   11    0    9 o   73.225   25.639   9.1262   4.4046   9.1262   4.4046   9.1262   4.4046   73.225   25.639   73.225   25.639 0.000000 0.000000 
1 1 1   11    0   10 o  128.033   18.492   22.576   5.7608   22.576   5.7608   22.576   5.7608  128.033   18.492  128.033   18.492 0.000000 0.000000 
1 1 1   11    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0   12 f  228.757   14.129   68.682   8.2990   68.682   8.2990   68.682   8.2990  228.757   14.129  228.757   14.129 0.000000 0.000000 
1 1 1   11    0   13 o  521.746   12.415  353.756   16.757  353.756   16.757  353.756   16.757  521.746   12.415  521.746   12.415 0.000000 0.000000 
1 1 1   11    0   14 o  135.682   26.627   26.580   8.3295   26.580   8.3295   26.580   8.3295  135.682   26.627  135.682   26.627 0.000000 0.000000 
1 1 1   11    0   15 o  365.516   12.007  173.920   11.340  173.920   11.340  173.920   11.340  365.516   12.007  365.516   12.007 0.000000 0.000000 
1 1 1   11    0   16 o  514.343   12.520  344.020   16.659  344.020   16.659  344.020   16.659  514.343   12.520  514.343   12.520 0.000000 0.000000 
1 1 1   11    0   17 o  627.508   13.292  512.153   21.583  512.153   21.583  512.153   21.583  627.508   13.292  627.508   13.292 0.000000 0.000000 
1 1 1   11    0   18 o  1021.45   16.720  1359.49   44.213  1359.49   44.213  1359.49   44.213  1021.45   16.720  1021.45   16.720 0.000000 0.000000 
1 1 1   11    0   19 o  746.170   14.285  725.093   27.587  725.093   27.587  725.093   27.587  746.170   14.285  746.170   14.285 0.000000 0.000000 
1 1 1   11    0   20 o  718.779   14.131  673.315   26.287  673.315   26.287  673.315   26.287  718.779   14.131  718.779   14.131 0.000000 0.000000 
1 1 1   11    0   21 o  472.253   12.889  290.920   15.740  290.920   15.740  290.920   15.740  472.253   12.889  472.253   12.889 0.000000 0.000000 
1 1 1   11    0   22 o  186.671   16.079   46.519   7.6420   46.519   7.6420   46.519   7.6420  186.671   16.079  186.671   16.079 0.000000 0.000000 
1 1 1   11    0   23 o   29.119   20.668  -8.5740   6.5972  -8.5740   6.5972  -8.5740   6.5972   29.119   20.668   29.119   20.668 0.000000 0.000000 
1 1 1   11    0   24 o   42.023   28.461  -4.0280   9.1951  -4.0280   9.1951  -4.0280   9.1951   42.023   28.461   42.023   28.461 0.000000 0.000000 
1 1 1   11    0   25 o  114.879   24.589   19.659   6.4261   19.659   6.4261   19.659   6.4261  114.879   24.589  114.879   24.589 0.000000 0.000000 
1 1 1   11    0   26 o   67.803   31.816   9.1394   6.2677   9.1394   6.2677   9.1394   6.2677   67.803   31.816   67.803   31.816 0.000000 0.000000 
1 1 1   11    0   27 o   76.263   32.704   11.261   6.6101   11.261   6.6101   11.261   6.6101   76.263   32.704   76.263   32.704 0.000000 0.000000 
1 1 1   11    0   28 o   95.915   36.716   17.240   8.6117   17.240   8.6117   17.240   8.6117   95.915   36.716   95.915   36.716 0.000000 0.000000 
1 1 1   11    0   29 o  113.984   30.577   21.056   7.8015   21.056   7.8015   21.056   7.8015  113.984   30.577  113.984   30.577 0.000000 0.000000 
1 1 1   11    0   30 o  103.302   31.544   18.202   7.3739   18.202   7.3739   18.202   7.3739  103.302   31.544  103.302   31.544 0.000000 0.000000 
1 1 1   11    0   31 o  194.073   17.942   51.680   8.8424   51.680   8.8424   51.680   8.8424  194.073   17.942  194.073   17.942 0.000000 0.000000 
1 1 1   11    0   32 o   37.600   25.075  -1.1835   6.6456  -1.1835   6.6456  -1.1835   6.6456   37.600   25.075   37.600   25.075 0.000000 0.000000 
1 1 1   11    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0   34 o  301.235   16.021  123.055   12.421  123.055   12.421  123.055   12.421  301.235   16.021  301.235   16.021 0.000000 0.000000 
1 1 1   11    0   35 o   47.502   30.134   3.0431   8.0402   3.0431   8.0402   3.0431   8.0402   47.502   30.134   47.502   30.134 0.000000 0.000000 
1 1 1   11    0   36 o   57.773   33.537   7.7790   8.2226   7.7790   8.2226   7.7790   8.2226   57.773   33.537   57.773   33.537 0.000000 0.000000 
1 1 1   11    0   37 o  344.173   16.302  163.561   14.459  163.561   14.459  163.561   14.459  344.173   16.302  344.173   16.302 0.000000 0.000000 
1 1 1   11    0   38 o   56.233   34.019   7.9401   9.1190   7.9401   9.1190   7.9401   9.1190   56.233   34.019   56.233   34.019 0.000000 0.000000 
1 1 1   11    0   39 o   70.426   37.980   14.248   9.6257   14.248   9.6257   14.248   9.6257   70.426   37.980   70.426   37.980 0.000000 0.000000 
1 1 1   11    0   40 o   48.720   31.699   4.8662   9.6438   4.8662   9.6438   4.8662   9.6438   48.720   31.699   48.720   31.699 0.000000 0.000000 
1 1 1   11    0   41 o   51.443   32.977   7.1759   9.9397   7.1759   9.9397   7.1759   9.9397   51.443   32.977   51.443   32.977 0.000000 0.000000 
1 1 1   11    0   42 o   68.381   43.231   23.560   16.392   23.560   16.392   23.560   16.392   68.381   43.231   68.381   43.231 0.000000 0.000000 
1 1 1   11    1    0 o  331.651   8.1063  142.565   6.9639  144.576   9.8618  140.564   9.8353  333.859   11.404  329.189   11.534 4.670227 16.21978 
1 1 1   11    1    1 o  504.431   8.4342  329.822   11.020  308.507   15.200  353.445   16.001  487.652   12.033  521.975   11.835 -34.32303 16.87769 
1 1 1   11    1    2 o  638.336   10.548  528.422   17.441  540.900   30.947  522.614   21.113  644.960   18.524  634.620   12.843 10.33978 22.54104 
1 1 1   11    1    3 o  440.916   11.775  252.197   13.448  202.500   17.968  315.500   20.278  394.697   17.574  492.828   15.885 -98.13065 23.68931 
1 1 1   11    1    4 o  473.567   12.012  290.960   14.735  270.700   20.503  312.600   21.190  456.355   17.345  490.469   16.679 -34.11435 24.06310 
1 1 1   11    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    1    6 o  758.656   11.334  746.640   22.273  728.700   37.859  756.136   27.545  748.299   19.532  763.151   13.934 -14.85205 23.99266 
1 1 1   11    1    7 o  316.000   7.9529  129.435   6.5097  133.502   9.0372  125.048   9.3850  320.812   10.875  310.452   11.670 10.35977 15.95201 
1 1 1   11    1    8 o  330.533   8.1805  141.626   7.0040  141.596   9.7580  141.657   10.059  330.358   11.403  330.411   11.753 -0.5319214E-01 16.37579 
1 1 1   11    1    9 o  427.037   12.017  236.664   13.292   0.0000   0.0000  236.664   13.292  ?   ?   427.037   12.017 0.000000 12.01654 
1 1 1   11    1   10 o  192.534   9.5930   48.075   4.7842   38.841   6.5789   58.440   6.9698  172.256   14.891  211.782   12.765 -39.52635 19.61324 
1 1 1   11    1   11 o  181.354   10.526   42.813   4.9234   36.530   6.8198   49.653   7.1152  166.858   15.974  194.982   14.185 -28.12407 21.36300 
1 1 1   11    1   12 o  250.089   9.0172   81.113   5.8414  102.500   11.431   73.555   6.7956  280.301   15.809  238.073   11.020 42.22772 19.27024 
1 1 1   11    1   13 o  707.864   13.622  651.095   24.978  647.800   35.296  654.400   35.353  704.902   19.330  708.500   19.263 -3.597900 27.28998 
1 1 1   11    1   14 o  222.995   15.404   64.999   8.8430   0.0000   0.0000   64.999   8.8430  ?   ?   222.995   15.404 0.000000 15.40369 
1 1 1   11    1   15 o  267.459   8.7792   92.795   6.0822   94.099   8.6005   91.491   8.6026  269.122   12.337  265.355   12.516 3.767365 17.57420 
1 1 1   11    1   16 o  432.188   8.6282  242.325   9.6592  237.563   13.608  247.160   13.713  427.550   12.287  436.119   12.139 -8.568573 17.27224 
1 1 1   11    1   17 o  461.847   8.7519  276.793   10.470  276.297   14.851  277.284   14.763  460.980   12.438  461.816   12.341 -0.8363342 17.52123 
1 1 1   11    1   18 f  251.174   9.0379   81.898   5.8802   78.575   8.2804   85.280   8.3519  245.371   13.075  256.027   12.594 -10.65599 18.15367 
1 1 1   11    1   19 o  439.936   8.8159  251.298   10.046  252.464   14.289  250.158   14.127  440.394   12.526  438.393   12.441 2.001221 17.65439 
1 1 1   11    1   20 o  358.434   8.9429  166.890   8.3031  167.682   11.729  166.095   11.755  358.755   12.622  357.038   12.711 1.716675 17.91302 
1 1 1   11    1   21 o  123.194   14.482   20.097   4.5332   14.049   6.7225   25.141   6.1390  100.834   25.671  137.330   17.667 -36.49644 31.16305 
1 1 1   11    1   22 o  371.237   9.1201  179.217   8.7701  178.285   12.653  180.080   12.167  369.450   13.221  371.439   12.646 -1.988800 18.29543 
1 1 1   11    1   23 o   82.844   26.119   9.1625   6.2615   16.700   10.091   4.4440   7.9844  109.444   32.918   72.896   28.731 36.54742 43.69342 
1 1 1   11    1   24 o  203.135   14.998   54.452   7.8359   52.360   10.536   57.040   11.721  197.456   20.919  205.676   22.362 -8.219254 30.62073 
1 1 1   11    1   25 o  156.087   12.876   32.109   5.1594   29.736   7.1889   34.629   7.4092  148.610   19.118  160.837   18.099 -12.22749 26.32633 
1 1 1   11    1   26 o  268.381   10.077   93.978   7.0056   91.099   10.180   96.567   9.6554  262.655   15.025  270.846   13.808 -8.191101 20.40677 
1 1 1   11    1   27 o  121.242   18.155   19.938   5.5261   19.540   8.6769   20.210   7.1677  116.773   28.853  120.302   23.844 -3.529022 37.43080 
1 1 1   11    1   28 o  231.438   12.278   70.510   7.3343   67.773   9.1968   75.290   12.156  225.689   15.832  236.077   20.069 -10.38893 25.56200 
1 1 1   11    1   29 o  175.652   14.039   41.008   6.3344   41.768   7.9433   39.680   10.498  176.002   17.662  168.365   24.816 7.637115 30.45934 
1 1 1   11    1   30 o  417.443   9.7292  228.139   10.520  229.084   15.082  227.243   14.682  415.926   13.998  414.458   13.676 1.467834 19.57009 
1 1 1   11    1   31 o  259.984   10.954   88.874   7.3771   93.215   10.381   84.445   10.485  264.012   15.244  250.716   16.233 13.29549 22.26868 
1 1 1   11    1   32 o  140.957   22.811   28.123   8.0442   28.123   8.0442   0.0000   0.0000  140.957   22.811  ?   ?  0.000000 22.81097 
1 1 1   11    1   33 o  272.342   23.424  104.500   16.364   0.0000   0.0000  104.500   16.364  ?   ?   272.342   23.424 0.000000 23.42430 
1 1 1   11    1   34 o  165.164   15.530   36.997   6.5660   41.973   9.3258   32.105   9.2462  172.762   21.290  148.711   24.882 24.05121 32.74734 
1 1 1   11    1   35 o   63.049   24.534   4.2575   5.7599   3.9021   8.2173   4.6007   8.0760   68.727   28.397   69.906   28.433 -1.179413 40.18449 
1 1 1   11    1   36 o  135.293   19.056   25.793   6.4931   24.479   9.1933   27.102   9.1719  125.541   28.873  133.318   27.473 -7.777107 39.85500 
1 1 1   11    1   37 o   95.666   25.558   14.048   6.4538   14.993   9.1392   13.109   9.1148   96.200   31.662   90.978   31.611 5.221878 44.74077 
1 1 1   11    1   38 o   85.167   26.696   11.306   6.5515   8.7708   9.2377   13.872   9.2931   79.252   31.005   92.002   31.921 -12.75052 44.50021 
1 1 1   11    1   39 o   98.497   26.458   15.442   6.8938   25.566   9.7125   5.1629   9.7864  123.977   30.462   71.886   30.429 52.09031 43.05666 
1 1 1   11    1   40 o   59.323   25.502   2.1104   7.0639   4.0519   10.340   0.4109   9.6733   70.240   30.523   63.172   28.375 7.068214 41.67480 
1 1 1   11    1   41 o   66.656   28.027   4.6759   8.2135  -0.3953   10.255   13.750   13.718   62.727   28.587   88.334   36.609 -25.60700 46.44809 
1 1 1   11    1   42 o   71.052   31.221   5.1188   11.082   18.640   16.694  -5.5350   14.818   93.272   39.625   65.418   31.237 27.85421 50.45652 
1 1 1   11    2    0 o  251.426   8.3343   81.939   5.4279   82.313   7.6473   81.559   7.7054  251.899   11.720  250.738   11.864 1.160690 16.67663 
1 1 1   11    2    1 o  179.519   10.265   41.926   4.7535   42.650   9.7935   41.703   5.4369  179.727   21.461  178.909   11.798 0.8182526 24.49002 
1 1 1   11    2    2 o  238.473   12.999   74.019   7.9996   62.550   11.687   84.130   10.973  218.212   20.933  253.897   16.779 -35.68515 26.82808 
1 1 1   11    2    3 f  299.741   12.261  116.571   9.5200  115.800   13.655  117.300   13.280  297.929   17.775  299.934   17.164 -2.004242 24.70932 
1 1 1   11    2    4 o  545.664   12.582  386.371   17.785  343.700   24.132  437.100   26.312  514.121   18.121  579.859   17.518 -65.73810 25.20362 
1 1 1   11    2    5 o  272.457   12.588   96.332   8.8839  111.600   12.973   82.850   12.191  292.506   17.198  251.672   18.836 40.83351 25.50664 
1 1 1   11    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    2    8 f  890.078   10.730  1027.68   24.740  1026.35   34.728  1029.05   35.252  888.820   15.084  889.951   15.292 -1.130615 21.47978 
1 1 1   11    2    9 o  851.035   10.513  939.505   23.175  963.107   33.151  916.948   32.410  860.982   14.865  840.091   14.894 20.89081 21.04214 
1 1 1   11    2   10 o  366.192   12.324  174.070   11.690   0.0000   0.0000  174.070   11.690  ?   ?   366.192   12.324 0.000000 12.32400 
1 1 1   11    2   11 o  296.564   8.6343  114.043   6.6328  121.200   12.971  111.509   7.7182  304.814   16.490  293.185   10.163 11.62903 19.36986 
1 1 1   11    2   12 o  388.795   11.769  196.233   11.853  189.500   17.001  202.600   16.533  381.564   17.201  394.646   16.173 -13.08145 23.61067 
1 1 1   11    2   13 o  724.850   9.9217  681.684   18.629  691.600   37.129  678.349   21.535  728.221   19.684  722.856   11.501 5.365112 22.79756 
1 1 1   11    2   14 o  658.165   11.242  562.403   19.166   0.0000   0.0000  562.403   19.166  ?   ?   658.165   11.242 0.000000 11.24223 
1 1 1   11    2   15 o  242.570   9.8429   76.362   6.1846   84.010   12.150   73.688   7.1850  253.089   18.666  238.188   11.645 14.90085 22.00047 
1 1 1   11    2   16 o  345.228   8.6385  154.625   7.7249  147.385   10.921  161.875   10.929  336.731   12.520  352.951   11.954 -16.22067 17.31035 
1 1 1   11    2   17 o  360.352   8.7370  168.509   8.1553  172.023   11.686  165.173   11.387  363.729   12.403  356.422   12.333 7.307373 17.49140 
1 1 1   11    2   18 o  214.178   9.8626   59.578   5.4716   54.998   7.7775   64.066   7.6992  204.906   14.752  221.425   13.488 -16.51869 19.98859 
1 1 1   11    2   19 o  323.267   8.9984  135.706   7.5349  138.589   10.756  132.928   10.559  326.248   12.727  319.511   12.758 6.737518 18.02091 
1 1 1   11    2   20 o  166.712   11.672   36.356   5.0086   32.663   7.4449   39.410   6.7696  156.702   18.712  173.022   15.261 -16.31976 24.14591 
1 1 1   11    2   21 o  423.255   9.0621  232.847   9.9353  239.552   14.281  226.557   13.831  428.534   12.865  416.760   12.812 11.77386 18.15674 
1 1 1   11    2   22 o  215.574   10.845   60.688   6.0365   62.875   8.8823   58.811   8.2290  218.439   15.805  211.379   15.129 7.060608 21.87883 
1 1 1   11    2   23 o  216.139   15.219   61.572   8.4662   66.540   13.866   58.620   10.690  221.771   24.550  209.566   19.933 12.20461 31.62304 
1 1 1   11    2   24 o  228.661   14.668   68.878   8.6423   69.630   11.684   67.970   12.842  228.298   19.959  224.671   22.364 3.626266 29.97462 
1 1 1   11    2   25 o  255.604   10.357   85.223   6.8572   83.431   9.8206   86.929   9.5790  251.451   15.148  256.895   14.454 -5.444687 20.93776 
1 1 1   11    2   26 o  128.306   16.519   22.084   5.3625   19.010   9.0858   23.727   6.6429  115.251   30.105  132.051   20.051 -16.80015 36.17138 
1 1 1   11    2   27 o  299.238   11.025  117.126   8.5460   94.200   14.183  130.196   10.708  264.276   20.888  314.844   13.130 -50.56793 24.67233 
1 1 1   11    2   28 o  146.691   14.103   28.623   5.2926   31.717   7.3116   25.218   7.6711  152.981   18.850  134.770   22.787 18.21140 29.57286 
1 1 1   11    2   29 o  158.135   15.622   33.501   6.3154   25.605   7.6642   50.200   11.146  135.521   22.631  190.556   23.050 -55.03476 32.30300 
1 1 1   11    2   30 o  131.284   15.943   23.283   5.3103   21.771   7.4026   24.885   7.6219  123.849   23.941  133.057   22.943 -9.208443 33.15973 
1 1 1   11    2   31 o  223.094   11.608   65.741   6.6848   63.686   9.6604   67.628   9.2598  217.002   17.331  224.325   16.042 -7.322647 23.61552 
1 1 1   11    2   32 o   65.864   24.943   4.8738   5.8434   6.2976   7.6666   2.9000   9.0265   74.196   28.457   69.992   29.403 4.204567 40.91860 
1 1 1   11    2   33 o   91.830   29.122   12.466   7.7756   5.0670   10.223   22.620   11.976   76.791   31.697  118.981   35.877 -42.19073 47.87318 
1 1 1   11    2   34 o  107.711   21.747   16.658   5.8584   14.039   8.0969   19.535   8.4870   96.233   29.599  113.259   28.849 -17.02604 41.33242 
1 1 1   11    2   35 o  227.295   12.973   69.145   7.6064   64.133   10.733   74.203   10.781  214.564   19.525  232.033   18.081 -17.46835 26.61102 
1 1 1   11    2   36 f   77.192   26.165   8.6258   6.2340   11.499   8.8892   5.8451   8.7450   87.469   31.148   73.481   29.694 13.98775 43.03427 
1 1 1   11    2   37 o  150.597   18.028   31.850   6.8928   43.250   9.9579   21.362   9.5508  171.923   22.932  114.207   31.338 57.71641 38.83212 
1 1 1   11    2   38 o  195.229   15.810   52.685   7.9265   50.529   11.526   54.619   10.918  183.027   24.964  193.099   22.234 -10.07256 33.42939 
1 1 1   11    2   39 o  292.145   12.507  115.193   9.4642  117.145   13.534  113.326   13.240  287.692   18.255  283.085   18.152 4.607544 25.74387 
1 1 1   11    2   40 o  186.640   16.784   49.096   8.0276   45.412   11.405   52.714   11.302  169.468   26.877  185.991   24.020 -16.52295 36.04635 
1 1 1   11    2   41 o   82.922   30.272   11.513   8.4597   16.421   10.658   3.1540   13.908   94.227   34.043   73.641   33.456 20.58534 47.73103 
1 1 1   11    2   42 o  111.820   34.141   24.095   10.796   16.990   14.841   32.080   15.733   91.185   37.958  117.171   41.469 -25.98563 56.21835 
1 1 1   11    3    0 o  661.123   10.898  566.891   18.663  567.100   33.100  566.793   22.598  660.240   19.354  660.848   13.201 -0.6074829 23.42772 
1 1 1   11    3    1 o  501.509   12.634  326.366   16.412  317.500   23.365  335.000   23.058  494.138   18.255  507.651   17.535 -13.51321 25.31205 
1 1 1   11    3    2 o  112.955   22.017   17.187   6.2103   10.030   9.3121   22.920   8.3344   92.152   31.955  130.297   25.607 -38.14497 40.94899 
1 1 1   11    3    3 o  396.085   12.419  203.570   12.742  193.100   18.125  213.800   17.916  385.353   18.158  405.578   17.054 -20.22476 24.91084 
1 1 1   11    3    4 o  552.582   12.868  396.283   18.418  398.800   26.411  393.900   25.698  553.739   18.413  550.375   18.026 3.364258 25.76788 
1 1 1   11    3    5 o  273.892   13.231   97.373   9.3867   85.190   13.346  109.300   13.205  254.996   20.376  289.392   17.700 -34.39610 26.99008 
1 1 1   11    3    6 o  437.586   12.641  248.515   14.328  250.100   20.498  247.000   20.037  438.507   18.046  435.810   17.749 2.696014 25.31207 
1 1 1   11    3    7 o  500.874   12.406  325.595   16.096   0.0000   0.0000  325.595   16.096  ?   ?   500.874   12.406 0.000000 12.40625 
1 1 1   11    3    8 o  322.338   8.2092  134.695   6.8543  120.863   9.0467  153.338   10.502  305.203   11.443  343.750   11.795 -38.54709 16.43376 
1 1 1   11    3    9 o  291.982   12.789  110.679   9.6726   0.0000   0.0000  110.679   9.6726  ?   ?   291.982   12.789 0.000000 12.78909 
1 1 1   11    3   10 o  382.885   8.4113  190.076   8.3422  212.900   16.696  182.482   9.6305  404.655   15.929  375.079   9.9123 29.57574 18.76098 
1 1 1   11    3   11 o  552.887   12.387  396.889   17.740  390.400   25.165  403.300   25.012  547.637   17.740  556.673   17.346 -9.036133 24.81140 
1 1 1   11    3   12 o  385.842   8.7900  193.071   8.7852  215.600   17.541  185.528   10.150  407.035   16.637  378.132   10.363 28.90298 19.60038 
1 1 1   11    3   13 o  539.049   9.0983  376.911   12.704  371.300   24.766  378.914   14.799  533.857   17.909  540.336   10.574 -6.479309 20.79781 
1 1 1   11    3   14 o  781.586   10.309  792.841   20.871  800.700   41.718  790.218   24.104  783.005   20.569  780.015   11.930 2.990601 23.77818 
1 1 1   11    3   15 o  449.018   10.803  261.781   12.565  279.700   20.900  251.639   15.723  463.204   17.419  439.887   13.799 23.31723 22.22274 
1 1 1   11    3   16 o  502.791   9.2873  328.082   12.096  348.800   23.969  321.003   14.010  516.995   17.898  497.149   10.880 19.84616 20.94538 
1 1 1   11    3   17 o  451.148   10.117  264.320   11.823  267.800   21.058  262.718   14.287  452.801   17.954  449.494   12.271 3.306732 21.74683 
1 1 1   11    3   18 o  348.525   8.8036  157.684   7.9478  152.197   11.123  163.407   11.360  342.002   12.556  354.396   12.375 -12.39398 17.62943 
1 1 1   11    3   19 o  233.865   9.8289   71.068   5.9541   79.137   8.6399   63.770   8.2169  246.048   13.609  220.650   14.456 25.39743 19.85433 
1 1 1   11    3   20 o  242.972   9.8198   76.748   6.1803   90.232   9.1594   65.477   8.3739  262.676   13.507  223.462   14.546 39.21393 19.85035 
1 1 1   11    3   21 o  213.346   10.427   59.237   5.7625   66.694   8.5014   52.899   7.8378  225.387   14.641  200.509   15.204 24.87764 21.10719 
1 1 1   11    3   22 o  505.368   13.170  333.681   17.240  345.900   25.783  323.800   23.186  511.916   19.444  495.937   18.049 15.97864 26.52946 
1 1 1   11    3   23 o  301.055   9.6184  118.000   7.5007  107.831   10.888  127.184   10.347  286.426   14.726  311.923   12.807 -25.49750 19.51543 
1 1 1   11    3   24 o  330.643   13.630  143.229   11.673  144.900   16.147  141.400   16.896  330.304   18.951  325.765   20.121 4.539185 27.64071 
1 1 1   11    3   25 o  233.069   11.004   70.934   6.6432   73.340   9.7567   68.855   9.0706  235.374   16.099  228.233   15.434 7.140686 22.30223 
1 1 1   11    3   26 o   63.766   22.660   4.8238   4.7022   3.0230   7.8981   5.8125   5.8524   68.732   28.055   70.187   25.244 -1.454330 37.74039 
1 1 1   11    3   27 o  173.167   12.604   39.552   5.6147   41.266   8.2910   38.100   7.6308  175.102   18.563  168.454   17.755 6.648300 25.68686 
1 1 1   11    3   28 o  274.822   10.190   98.769   7.2539   95.461   10.420  101.880   10.105  268.264   15.055  277.561   14.101 -9.296417 20.62770 
1 1 1   11    3   29 o  218.547   12.981   63.169   7.3155   57.810   9.1315   72.770   12.223  207.436   17.148  231.108   20.635 -23.67238 26.83042 
1 1 1   11    3   30 o  217.016   13.206   62.465   7.3881   60.020   9.3278   66.580   12.102  210.989   17.218  219.929   21.520 -8.940796 27.55989 
1 1 1   11    3   31 o  177.942   13.031   42.123   5.9646   39.430   8.5991   44.620   8.2804  169.141   20.015  181.110   17.884 -11.96851 26.84118 
1 1 1   11    3   32 o   95.380   28.906   13.477   7.7598  -0.7735   12.531   22.340   9.8826   73.418   32.683  120.981   31.298 -47.56337 45.25222 
1 1 1   11    3   33 o  120.785   26.380   21.535   8.0224   15.450   10.808   29.000   11.971  100.771   34.450  135.664   34.104 -34.89303 48.47571 
1 1 1   11    3   34 o   48.304   21.313  -0.7929   5.2147   1.2942   7.3471  -2.9115   7.4025   61.022   26.114   53.634   24.383 7.388161 35.72759 
1 1 1   11    3   35 o  179.849   14.964   43.871   6.9080   42.666   9.9470   44.994   9.6010  172.390   22.838  178.244   21.211 -5.854584 31.16855 
1 1 1   11    3   36 o  119.951   21.441   20.824   6.4173   5.8634   9.1984   35.011   8.9573   74.302   30.297  155.136   22.986 -80.83324 38.02944 
1 1 1   11    3   37 o   95.875   25.022   14.076   6.2803   12.580   8.7944   15.633   8.9718   89.281   31.048   97.896   31.307 -8.614738 44.09252 
1 1 1   11    3   38 o   96.834   25.901   14.685   6.6235   12.850   9.4818   16.433   9.2563   89.052   32.119   98.882   31.819 -9.830070 45.21141 
1 1 1   11    3   39 o  164.529   18.103   38.515   7.5876   33.624   10.860   43.179   10.606  142.788   30.300  167.749   25.185 -24.96103 39.40058 
1 1 1   11    3   40 o  119.090   24.303   22.023   7.2431   29.312   10.585   15.605   9.9325  130.505   31.640   93.918   32.977 36.58663 45.70135 
1 1 1   11    3   41 o   60.182   27.935  -2.6117   10.437   8.3130   15.194 -12.3700   14.360   81.031   36.035   60.175   29.230 20.85623 46.39943 
1 1 1   11    3   42 o  135.484   31.334   32.710   10.778   42.120   15.052   22.810   15.439  141.280   39.560   99.902   39.769 41.37844 56.09405 
1 1 1   11    4    0 o  513.590   10.273  342.071   13.667  304.400   23.806  360.591   16.692  483.727   18.999  527.167   12.224 -43.44006 22.59185 
1 1 1   11    4    1 o  475.847   12.788  293.852   15.762  299.200   22.733  288.900   21.875  479.652   18.297  471.364   17.916 8.288513 25.60776 
1 1 1   11    4    2 o  405.390   12.778  213.278   13.418  209.700   19.192  216.700   18.767  401.534   18.452  408.245   17.747 -6.711304 25.60155 
1 1 1   11    4    3 o  509.690   12.908  337.164   17.042  265.000   22.318  438.100   26.395  451.304   19.091  580.479   17.554 -129.1746 25.93480 
1 1 1   11    4    4 o  856.281   15.229  952.444   33.778  1001.00   49.712  910.800   46.038  876.453   21.897  836.180   21.255 40.27332 30.51635 
1 1 1   11    4    5 o  574.210   13.267  428.017   19.733  417.500   27.862  438.600   27.950  566.429   18.990  580.624   18.584 -14.19452 26.57017 
1 1 1   11    4    6 o  436.947   12.898  247.827   14.599  178.400   19.091  345.600   22.655  369.611   20.015  515.570   16.964 -145.9584 26.23681 
1 1 1   11    4    7 o  832.198   15.087  899.798   32.522  904.200   46.273  895.500   45.718  832.892   21.448  828.914   21.293 3.978638 30.22231 
1 1 1   11    4    8 f  260.151   10.027   87.781   6.7570   0.0000   0.0000   87.781   6.7570  ?   ?   260.151   10.027 0.000000 10.02721 
1 1 1   11    4    9 o  383.417   11.287  190.763   11.209  210.000   16.645  174.800   15.163  401.897   15.989  366.673   15.965 35.22452 22.59490 
1 1 1   11    4   10 o  355.002   11.302  163.553   10.393  186.300   15.529  145.100   13.987  378.518   15.839  334.024   16.166 44.49371 22.63206 
1 1 1   11    4   11 o  576.627   9.1541  431.239   13.673  472.800   27.998  418.223   15.668  602.578   17.938  567.717   10.655 34.86072 20.86330 
1 1 1   11    4   12 o  582.403   9.2433  439.973   13.944  434.700   27.325  441.830   16.215  577.631   18.262  583.477   10.728 -5.845093 21.18053 
1 1 1   11    4   13 o  453.797   8.9050  267.115   10.468  367.100   22.943  240.831   11.763  530.989   16.681  430.762   10.542 100.2272 19.73291 
1 1 1   11    4   14 o  265.457   9.3556   91.430   6.4331  111.400   13.182   85.186   7.3704  291.848   17.518  256.139   11.109 35.70920 20.74294 
1 1 1   11    4   15 o  522.958   10.844  355.135   14.690  353.100   24.769  356.239   18.245  520.184   18.382  523.401   13.457 -3.216858 22.78157 
1 1 1   11    4   16 o  286.843   9.6219  106.806   7.1492  158.100   15.086   91.951   8.1187  348.190   16.727  265.998   11.783 82.19266 20.46022 
1 1 1   11    4   17 o  400.019   9.2943  207.734   9.6304  207.400   18.879  207.852   11.197  398.346   18.297  399.966   10.807 -1.619141 21.25002 
1 1 1   11    4   18 o  194.725   11.575   49.485   5.8122   55.360   11.684   47.553   6.7000  203.979   22.487  190.584   13.662 13.39502 26.31242 
1 1 1   11    4   19 o  249.429   9.5596   80.838   6.1764   81.366   8.9230   80.354   8.5580  249.419   13.866  247.943   13.374 1.475906 19.26501 
1 1 1   11    4   20 o  425.549   8.9687  235.309   9.8862  235.353   14.258  235.269   13.720  424.837   12.956  424.867   12.467 -0.3048706E-01 17.98018 
1 1 1   11    4   21 f  406.718   9.1518  215.076   9.6417  212.475   13.617  217.692   13.654  403.450   13.030  408.403   12.907 -4.952576 18.34019 
1 1 1   11    4   22 o  164.770   18.002   36.159   7.5584   38.260   12.412   34.920   9.5289  165.791   30.007  160.308   23.659 5.483032 38.21187 
1 1 1   11    4   23 f  477.020   9.2511  296.180   11.431  295.145   16.213  297.203   16.119  474.973   13.178  476.671   13.054 -1.698090 18.54945 
1 1 1   11    4   24 o  188.613   16.533   47.216   7.9958   40.120   10.386   57.540   12.527  171.389   24.058  205.817   23.946 -34.42764 33.94410 
1 1 1   11    4   25 o  570.029   11.034  424.417   16.292  435.600   28.320  418.886   19.918  572.695   19.090  565.062   13.608 7.633118 23.44412 
1 1 1   11    4   26 o  224.291   10.928   65.754   6.3491   60.037   9.1216   71.128   8.8429  212.412   16.713  231.950   14.795 -19.53786 22.32125 
1 1 1   11    4   27 o  231.407   10.932   70.066   6.5530   77.521   9.6054   63.575   8.9626  241.738   15.420  218.643   15.935 23.09456 22.17433 
1 1 1   11    4   28 o  132.419   15.771   23.555   5.3031   19.776   7.7939   26.814   7.2366  117.677   26.238  139.751   20.609 -22.07461 33.36416 
1 1 1   11    4   29 o  179.058   12.949   42.486   5.9653   50.763   8.8386   35.562   8.0842  193.947   17.792  161.280   19.765 32.66690 26.59307 
1 1 1   11    4   30 o  150.016   17.475   30.579   6.6635   37.585   8.7735   21.030   10.243  164.897   21.018  117.993   32.486 46.90334 38.69265 
1 1 1   11    4   31 o  135.499   19.664   25.430   6.7002   20.619   8.5643   33.020   10.757  117.917   28.382  149.797   28.769 -31.88027 40.41242 
1 1 1   11    4   32 o   53.498   23.346  -0.3044   6.1025   2.0810   12.557  -1.0420   6.9826   77.394   33.635   55.582   24.587 21.81196 41.66282 
1 1 1   11    4   33 f  177.717   16.917   43.058   7.6935   52.350   12.728   37.709   9.6573  189.596   26.653  162.458   23.643 27.13744 35.62813 
1 1 1   11    4   34 o  146.609   16.896   29.511   6.2990   36.804   9.3512   23.452   8.5225  160.203   23.210  125.129   27.080 35.07422 35.66596 
1 1 1   11    4   35 o  199.179   13.993   53.497   7.1737   62.788   10.713   45.944   9.6591  211.855   19.749  180.062   21.110 31.79346 28.90790 
1 1 1   11    4   36 o   89.660   25.584   12.223   6.2342   12.354   9.2635   12.115   8.4284   89.558   31.807   88.671   30.420 0.8869705 44.01244 
1 1 1   11    4   37 o  155.787   17.765   34.066   7.0406   34.831   10.051   33.328   9.8654  150.707   26.725  147.243   26.855 3.463913 37.88756 
1 1 1   11    4   38 o   75.513   27.164   8.4167   6.7769   12.649   9.7054   4.3895   9.4669   88.354   32.399   70.237   29.839 18.11749 44.04644 
1 1 1   11    4   39 o   60.032   25.429   2.6308   6.8424   1.5732   9.7473   3.6582   9.6074   65.415   28.987   68.533   29.602 -3.117729 41.43076 
1 1 1   11    4   40 o   96.272   27.752   15.335   7.3003   12.253   10.300   18.446   10.348   85.527   32.939  100.594   33.712 -15.06731 47.13288 
1 1 1   11    4   41 o   54.363   25.089  -2.4577   8.2428   6.4930   15.081  -6.2706   9.8432   78.425   35.309   54.413   25.833 24.01186 43.74996 
1 1 1   11    4   42 o   55.829   26.107  -3.2670   9.3902  -8.1470   13.203   1.7280   13.358   59.821   28.805   69.371   31.989 -9.550468 43.04620 
1 1 1   11    5    0 o  829.603   12.048  893.030   25.891  921.700   47.496  880.909   30.882  841.044   21.801  823.615   14.476 17.42877 26.16954 
1 1 1   11    5    1 o  625.143   12.641  507.186   20.470   0.0000   0.0000  507.186   20.470  ?   ?   625.143   12.641 0.000000 12.64110 
1 1 1   11    5    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    5    3 o  356.883   19.002  166.200   17.503   0.0000   0.0000  166.200   17.503  ?   ?   356.883   19.002 0.000000 19.00193 
1 1 1   11    5    4 o   83.530   31.988   6.2610   9.6778   0.0000   0.0000   6.2610   9.6778  ?   ?    83.530   31.988 0.000000 31.98768 
1 1 1   11    5    5 o  552.051   19.228  396.700   27.496   0.0000   0.0000  396.700   27.496  ?   ?   552.051   19.228 0.000000 19.22812 
1 1 1   11    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    5    8 o  299.799   15.103  117.100   11.691   0.0000   0.0000  117.100   11.691  ?   ?   299.799   15.103 0.000000 15.10269 
1 1 1   11    5    9 o  227.416   8.9453   67.067   5.2695  103.400   10.778   55.655   6.0406  281.681   14.825  206.781   11.321 74.89909 18.65270 
1 1 1   11    5   10 o  310.528   8.7546  125.046   7.0419  102.300   13.425  133.680   8.2710  279.635   18.641  321.010   9.9469 -41.37488 21.12886 
1 1 1   11    5   11 o  577.342   9.2062  432.344   13.768  430.300   26.979  433.064   16.009  574.756   18.121  577.673   10.699 -2.917175 21.04389 
1 1 1   11    5   12 o  602.007   9.4031  470.148   14.663  477.400   28.921  467.639   17.012  605.222   18.448  600.224   10.942 4.997864 21.44890 
1 1 1   11    5   13 o  288.569   9.2334  108.032   6.9018  165.000   14.780   92.146   7.8050  356.023   16.027  266.397   11.311 89.62653 19.61637 
1 1 1   11    5   14 o  225.695   11.724   66.344   6.8304   0.0000   0.0000   66.344   6.8304  ?   ?   225.695   11.724 0.000000 11.72389 
1 1 1   11    5   15 o  232.544   12.781   70.515   7.6691   70.550   12.753   70.495   9.5986  231.172   21.546  232.058   16.067 -0.8864899 26.87689 
1 1 1   11    5   16 o  193.866   11.144   48.993   5.5724   56.420   10.916   46.376   6.4803  206.580   20.678  188.326   13.371 18.25398 24.62480 
1 1 1   11    5   17 o  335.651   9.5143  146.295   8.2721  147.100   16.261  146.014   9.6081  334.791   18.828  335.175   11.067 -0.3834839 21.83934 
1 1 1   11    5   18 o  147.650   13.844   28.656   5.2329   37.530   10.787   25.925   5.9843  166.593   25.833  139.852   16.859 26.74106 30.84806 
1 1 1   11    5   19 o  607.237   9.8097  479.286   15.430  475.100   30.462  480.731   17.896  601.384   19.555  607.778   11.367 -6.393799 22.61874 
1 1 1   11    5   20 o  216.322   12.009   61.165   6.7025   93.490   13.606   50.808   7.7018  265.719   19.913  196.515   15.250 69.20346 25.08166 
1 1 1   11    5   21 o  261.446   13.956   89.612   9.4174   91.430   14.710   88.350   12.259  261.817   21.891  258.435   18.434 3.381531 28.61847 
1 1 1   11    5   22 o  179.712   11.721   42.317   5.4264   33.902   8.1370   49.057   7.2821  158.835   20.237  192.951   14.680 -34.11626 25.00097 
1 1 1   11    5   23 o  116.287   16.497   18.137   4.8298   15.194   7.2048   20.538   6.5088  104.151   26.609  122.643   21.259 -18.49216 34.05822 
1 1 1   11    5   24 o  263.461   14.822   91.476   10.074   89.990   13.675   93.240   14.897  259.272   20.529  263.292   22.046 -4.019684 30.12416 
1 1 1   11    5   25 o  167.638   14.433   37.204   6.2064   34.240   10.482   38.805   7.7014  156.717   26.784  170.318   17.716 -13.60106 32.11267 
1 1 1   11    5   26 o  167.260   13.203   36.956   5.6737   37.334   8.3479   36.631   7.7346  166.145   19.787  165.020   18.409 1.124908 27.02556 
1 1 1   11    5   27 o  115.147   17.565   18.009   5.0731   15.047   6.9112   21.471   7.4702  102.819   25.949  123.717   24.177 -20.89804 35.46653 
1 1 1   11    5   28 o   96.794   20.851   13.101   5.0735   18.020   7.0524   7.8236   7.3043  112.574   24.850   78.884   28.220 33.68953 37.60153 
1 1 1   11    5   29 o   52.141   21.622   1.2949   4.7888   1.5153   7.0080   1.1018   6.5591   61.466   25.869   58.894   24.919 2.572227 35.91899 
1 1 1   11    5   30 o  135.101   16.693   24.787   5.7176   25.436   8.4274   24.233   7.7827  133.135   25.363  130.563   23.893 2.572632 34.84498 
1 1 1   11    5   31 o  247.753   15.944   82.564   10.178   69.560   15.241   93.030   13.673  219.589   27.391  259.994   20.468 -40.40463 34.19339 
1 1 1   11    5   32 o   54.827   22.478   1.9690   5.0982  -5.2228   7.6848   7.6225   6.8135   51.616   23.963   76.055   27.250 -24.43903 36.28758 
1 1 1   11    5   33 o   58.719   25.809  -0.3778   7.5778  -3.7230   10.370   3.4560   11.101   62.816   28.673   75.534   32.206 -12.71776 43.12068 
1 1 1   11    5   34 o  112.010   22.234   18.132   6.2235   17.811   8.8026   18.452   8.8001  107.008   30.355  108.985   30.154 -1.976944 42.78627 
1 1 1   11    5   35 f  108.092   22.836   17.137   6.1934   33.136   9.2333   4.0498   8.3507  150.144   24.593   68.983   28.574 81.16043 37.69999 
1 1 1   11    5   36 o  103.830   23.849   16.163   6.2792   10.002   8.8772   22.332   8.8831   82.991   30.885  118.934   29.078 -35.94223 42.41946 
1 1 1   11    5   37 o  168.033   17.027   39.407   7.3087   52.347   10.639   27.844   10.057  189.474   22.093  131.169   30.222 58.30499 37.43618 
1 1 1   11    5   38 o  107.855   25.032   18.052   6.8585   6.7115   10.045   27.955   9.3870   75.398   31.295  132.186   28.271 -56.78816 42.17323 
1 1 1   11    5   39 o   77.721   27.036   9.3915   6.6683   3.9027   9.5945   14.520   9.2745   68.736   29.636   92.021   31.891 -23.28439 43.53526 
1 1 1   11    5   40 o   68.261   28.108   5.5087   8.0154   6.3712   10.087   4.0310   13.203   73.202   30.934   74.153   33.239 -0.9508591 45.40649 
1 1 1   11    5   41 f   75.633   29.727   8.8661   8.5248   7.8643   10.440   10.870   14.766   75.257   31.619   83.212   36.313 -7.954193 48.14993 
1 1 1   11    5   42 o   50.638   24.481  -9.0927   9.7701 -11.8900   13.690  -6.1890   13.948   57.749   28.160   62.535   29.979 -4.785225 41.13095 
1 1 1   11    6    0 o  316.501   8.8867  129.876   7.2856  102.900   16.743  136.178   8.0919  279.904   23.304  324.057   9.6400 -44.15363 25.21961 
1 1 1   11    6    1 o  472.055   8.7529  288.903   10.703  298.200   23.751  286.534   11.989  478.656   19.156  470.051   9.8466 8.605164 21.53865 
1 1 1   11    6    2 o  299.086   8.6817  115.973   6.7259   97.560   15.761  120.073   7.4371  272.610   22.522  304.298   9.4352 -31.68848 24.41831 
1 1 1   11    6    3 o  303.617   14.570  119.740   11.459  141.500   17.046  101.800   15.477  329.018   20.097  278.642   21.612 50.37582 29.51263 
1 1 1   11    6    4 f  390.334   13.676  197.847   13.828  196.200   19.851  199.400   19.273  387.648   19.836  391.387   19.010 -3.738495 27.47491 
1 1 1   11    6    5 o  477.731   13.593  296.369   16.821  268.000   23.401  326.700   24.197  453.606   19.916  500.999   18.645 -47.39362 27.28206 
1 1 1   11    6    6 o  368.164   20.034  177.100   19.034  177.100   19.034   0.0000   0.0000  368.164   20.034  ?   ?  0.000000 20.03431 
1 1 1   11    6    7 o  382.716   8.6516  189.919   8.5767  205.080   12.556  176.656   11.743  397.476   12.195  368.897   12.290 28.57861 17.31354 
1 1 1   11    6    8 o  327.661   8.8227  139.221   7.4882  135.141   10.692  143.148   10.490  322.605   12.795  332.065   12.196 -9.459076 17.67651 
1 1 1   11    6    9 o  196.660   11.317   50.362   5.7406   36.000   9.5420   58.508   7.1866  164.447   23.033  211.835   13.162 -47.38861 26.52829 
1 1 1   11    6   10 o  479.073   8.8607  297.657   10.996  372.100   23.499  276.789   12.442  534.671   16.967  461.856   10.400 72.81458 19.90100 
1 1 1   11    6   11 o  322.183   8.9669  134.638   7.4834  138.900   15.168  133.266   8.6034  326.022   18.031  320.459   10.364 5.563385 20.79743 
1 1 1   11    6   12 o  818.400   10.539  869.348   22.341  879.600   44.600  865.914   25.813  820.580   20.983  816.480   12.205 4.099609 24.27424 
1 1 1   11    6   13 o  298.072   9.2043  115.275   7.1066  144.700   14.490  105.954   8.1549  332.841   16.861  285.658   11.021 47.18317 20.14354 
1 1 1   11    6   14 o  297.164   14.393  114.908   11.079   0.0000   0.0000  114.908   11.079  ?   ?   297.164   14.393 0.000000 14.39296 
1 1 1   11    6   15 o  724.476   10.130  681.512   19.010  722.600   38.971  668.681   21.777  743.175   20.244  717.316   11.720 25.85950 23.39192 
1 1 1   11    6   16 o  399.730   9.2818  207.434   9.6106  211.400   18.978  206.066   11.146  402.183   18.217  398.243   10.804 3.939240 21.17965 
1 1 1   11    6   17 o  102.408   17.902   14.106   4.5759   19.700   10.035   12.637   5.1415  119.389   31.858   96.284   21.190 23.10542 38.26160 
1 1 1   11    6   18 o  343.944   9.6426  153.710   8.5908  166.200   17.454  149.718   9.8689  355.497   19.024  339.252   11.230 16.24460 22.09140 
1 1 1   11    6   19 o  368.109   9.7042  176.157   9.2531  209.500   19.412  166.353   10.526  399.397   18.763  357.470   11.368 41.92673 21.93810 
1 1 1   11    6   20 o  332.844   13.246  144.626   11.420  164.600   18.053  131.300   14.746  352.834   19.833  315.562   18.116 37.27164 26.86147 
1 1 1   11    6   21 o  222.600   11.284   64.758   6.4852   67.640   13.471   63.888   7.3990  224.239   23.544  220.773   12.996 3.466232 26.89267 
1 1 1   11    6   22 o  348.912   9.4318  158.475   8.5243  159.057   12.421  157.958   11.720  348.555   13.757  347.543   13.019 1.011810 18.94067 
1 1 1   11    6   23 o  316.264   10.879  130.511   8.9120  121.800   14.915  135.348   11.114  302.634   19.125  321.470   13.347 -18.83618 23.32204 
1 1 1   11    6   24 o  292.049   13.829  111.918   10.462  113.300   14.703  110.500   14.890  291.347   19.596  287.478   20.122 3.869232 28.08774 
1 1 1   11    6   25 o  260.040   10.362   88.288   6.9799   80.098   10.180   95.554   9.5885  245.809   16.077  269.360   13.789 -23.55118 21.18016 
1 1 1   11    6   26 o   62.053   22.689   4.3436   4.7548   6.0430   6.9356   2.8366   6.5312   73.390   27.302   63.499   25.661 9.890495 37.46880 
1 1 1   11    6   27 o  233.516   11.004   71.418   6.6562   66.514   9.3480   76.462   9.4798  223.341   16.270  239.911   15.335 -16.57039 22.35801 
1 1 1   11    6   28 o  168.838   13.107   37.795   5.6872   41.651   8.3454   34.451   7.7711  175.289   18.667  159.025   19.258 16.26379 26.82054 
1 1 1   11    6   29 o   86.787   22.388   10.702   5.0662   7.3176   7.5728   13.445   6.8162   77.426   28.583   96.364   26.487 -18.93755 38.96857 
1 1 1   11    6   30 o  170.241   21.119   40.189   9.1130   40.189   9.1130   0.0000   0.0000  170.241   21.119  ?   ?  0.000000 21.11914 
1 1 1   11    6   31 o  211.560   18.212   61.065   9.8831   48.130   15.038   70.900   13.113  177.002   34.035  224.934   22.821 -47.93280 40.97799 
1 1 1   11    6   32 o   67.012   25.432   5.1408   6.0833  -0.8530   7.9594   13.560   9.4333   59.376   26.258   95.408   32.187 -36.03293 41.53870 
1 1 1   11    6   33 o   68.845   28.060   4.1721   7.8865   2.9410   10.507   5.7610   11.936   73.061   31.246   80.972   33.902 -7.910591 46.10517 
1 1 1   11    6   34 o   87.990   25.091   11.519   5.9982   6.1836   8.5459   16.699   8.4208   74.492   29.609  103.680   29.782 -29.18798 41.99570 
1 1 1   11    6   35 o   49.608   22.128  -1.1700   5.7753  -4.4287   8.4457   1.6922   7.9151   54.672   25.289   62.846   27.005 -8.173454 36.99791 
1 1 1   11    6   36 o  206.206   14.324   57.824   7.6033   59.226   10.970   56.528   10.548  203.184   21.154  198.792   20.791 4.392151 29.66057 
1 1 1   11    6   37 o   62.045   25.537   3.5098   6.6124   12.404   9.7684  -4.0124   8.9836   88.159   32.477   56.102   25.997 32.05733 41.60078 
1 1 1   11    6   38 o   68.520   26.544   6.1371   6.7194   7.8256   9.5652   4.4921   9.4413   76.661   31.029   69.929   29.756 6.732620 42.99083 
1 1 1   11    6   39 o   50.635   23.028  -1.7420   6.6103  -9.7593   9.5807   5.5422   9.1322   50.822   24.488   70.663   29.624 -19.84133 38.43493 
1 1 1   11    6   40 o  179.749   26.151   51.227   11.819   54.230   17.321   48.610   16.168  163.475   40.982  155.943   39.870 7.531891 57.17647 
1 1 1   11    6   41 o   63.778   27.502   3.5730   8.2647   5.0876   10.456   1.0510   13.492   70.159   30.589   69.484   32.079 0.6752548 44.32521 
1 1 1   11    6   42 o   94.169   33.041   17.467   9.9699   17.170   13.144   17.870   15.299   90.045   36.399   90.016   38.071 0.2839661E-01 52.67155 
1 1 1   11    7    0 o  753.482   10.105  736.370   19.723  707.500   39.822  745.754   22.703  736.821   20.864  758.098   11.561 -21.27631 23.85353 
1 1 1   11    7    1 o  692.760   20.520  625.300   36.822  625.300   36.822   0.0000   0.0000  692.760   20.520  ?   ?  0.000000 20.51974 
1 1 1   11    7    2 o  755.480   10.112  740.296   19.789  703.500   39.974  752.240   22.775  734.678   21.005  761.380   11.548 -26.70227 23.97042 
1 1 1   11    7    3 o  273.125   10.803   96.779   7.6425   91.970   15.978   98.205   8.7026  264.387   23.578  275.065   12.214 -10.67871 26.55427 
1 1 1   11    7    4 o  379.010   8.6563  186.254   8.4983  204.200   19.984  182.292   9.3897  395.958   19.484  374.906   9.6689 21.05161 21.75131 
1 1 1   11    7    5 o  650.630   11.314  549.327   19.068  418.400   30.268  635.474   24.552  566.552   20.625  699.496   13.550 -132.9435 24.67784 
1 1 1   11    7    6 o  1093.21   12.343  1551.53   34.952  1620.17   51.350  1492.28   47.710  1115.71   17.768  1070.94   17.199 44.77490 24.72859 
1 1 1   11    7    7 o  471.124   8.9166  287.837   10.881  305.398   15.888  272.324   14.934  484.967   12.648  457.960   12.589 27.00766 17.84492 
1 1 1   11    7    8 o  249.549   9.6263   80.780   6.2225   88.906   9.3068   74.212   8.3678  261.224   13.803  238.620   13.594 22.60391 19.37357 
1 1 1   11    7    9 o  275.820   9.7139   98.694   6.9401   85.939   10.091  110.143   9.5603  256.622   15.249  291.211   12.674 -34.58865 19.82833 
1 1 1   11    7   10 o  186.852   10.444   45.450   5.0349   58.900   10.560   41.493   5.7279  211.636   19.481  178.300   12.481 33.33565 23.13640 
1 1 1   11    7   11 o  397.384   8.9354  204.842   9.1976  263.000   19.733  188.701   10.396  449.366   16.953  381.291   10.526 68.07513 19.95493 
1 1 1   11    7   12 o  299.390   9.4114  116.304   7.2986  133.700   15.080  110.982   8.3406  319.674   18.287  292.361   11.014 27.31299 21.34768 
1 1 1   11    7   13 o  452.710   13.456  266.513   15.779   0.0000   0.0000  266.513   15.779  ?   ?   452.710   13.456 0.000000 13.45618 
1 1 1   11    7   14 o  556.495   13.796  402.947   19.887   0.0000   0.0000  402.947   19.887  ?   ?   556.495   13.796 0.000000 13.79602 
1 1 1   11    7   15 o  288.536   12.212  108.255   9.1275  158.900   15.515   81.447   11.288  348.900   17.167  249.137   17.604 99.76350 24.58880 
1 1 1   11    7   16 o  271.271   9.9092   95.584   6.9629  107.100   14.354   92.041   7.9625  285.312   19.540  266.057   11.554 19.25488 22.70006 
1 1 1   11    7   17 o  212.354   11.260   58.812   6.1717  122.900   14.061   43.519   6.8687  305.936   17.820  182.077   14.689 123.8593 23.09376 
1 1 1   11    7   18 o  217.087   11.319   61.496   6.3429   83.890   13.774   55.469   7.1455  251.492   21.346  205.814   13.478 45.67847 25.24483 
1 1 1   11    7   19 o  251.976   14.231   83.205   9.2507   85.530   14.759   81.700   11.872  253.227   22.743  248.662   18.566 4.565125 29.35891 
1 1 1   11    7   20 f  391.020   9.9507  198.979   10.079  217.700   20.663  193.134   11.545  406.189   19.638  384.907   11.580 21.28180 22.79820 
1 1 1   11    7   21 o  331.233   10.146  142.895   8.7050  140.300   17.563  143.741   10.023  324.622   21.000  331.915   11.657 -7.292816 24.01843 
1 1 1   11    7   22 o  278.780   12.573  101.621   9.0795   0.0000   0.0000  101.621   9.0795  ?   ?   278.780   12.573 0.000000 12.57331 
1 1 1   11    7   23 o  292.013   11.992  111.489   9.0708   0.0000   0.0000  111.489   9.0708  ?   ?   292.013   11.992 0.000000 11.99205 
1 1 1   11    7   24 o  153.061   18.737   31.533   7.2736   33.380   10.108   29.550   10.474  154.965   26.110  144.523   28.988 10.44119 39.01334 
1 1 1   11    7   25 o  170.505   12.807   38.347   5.6152   26.645   8.4238   47.705   7.5329  138.442   24.381  189.536   15.478 -51.09415 28.87921 
1 1 1   11    7   26 o  126.646   16.676   21.616   5.3375   20.071   7.6882   23.053   7.4159  119.057   25.684  128.739   23.087 -9.681862 34.53507 
1 1 1   11    7   27 o   76.400   22.787   8.0816   4.8507   5.8509   6.9972   10.145   6.7304   72.607   27.342   85.511   27.092 -12.90374 38.49059 
1 1 1   11    7   28 o  242.119   11.146   76.961   6.9902   94.244   10.522   63.307   9.3522  265.927   15.340  217.177   16.754 48.75012 22.71615 
1 1 1   11    7   29 o  289.459   10.593  110.008   7.9423  103.418   11.345  116.341   11.122  277.936   15.824  295.921   14.510 -17.98529 21.46966 
1 1 1   11    7   30 f  218.409   17.357   64.645   9.7387   67.970   15.360   62.410   12.593  216.671   28.025  210.818   23.459 5.852936 36.54771 
1 1 1   11    7   31 o  115.697   20.272   18.819   5.8539   24.184   8.6150   14.218   7.9788  128.171   26.810   97.506   29.258 30.66472 39.68401 
1 1 1   11    7   32 o   75.701   26.247   7.8389   6.2825   11.214   8.0468   2.5690   10.054   87.840   29.727   71.534   30.579 16.30561 42.64706 
1 1 1   11    7   33 o  136.425   25.887   27.482   8.8134   41.070   11.969   11.390   13.026  165.039   29.060   92.394   36.608 72.64424 46.73989 
1 1 1   11    7   34 o   65.274   24.804   5.0378   5.7910   12.723   8.7721  -0.8989   7.7098   91.316   31.037   57.694   25.662 33.62185 40.27225 
1 1 1   11    7   35 o   60.919   24.555   3.4845   5.9636   9.5498   9.0100  -1.2442   7.9557   82.244   31.014   57.551   25.799 24.69368 40.34185 
1 1 1   11    7   36 o  139.067   20.350   27.848   7.1136   30.616   10.230   25.256   9.8986  138.861   29.359  124.476   30.855 14.38448 42.59036 
1 1 1   11    7   37 o   96.830   26.755   14.883   6.9337   15.161   10.019   14.627   9.6059   94.615   33.126   93.403   32.451 1.212036 46.37212 
1 1 1   11    7   38 o   88.289   27.379   12.601   6.9118   15.785   9.9317   9.6105   9.6251   95.137   33.000   80.200   31.566 14.93765 45.66634 
1 1 1   11    7   39 o   78.570   29.575   9.6708   8.1853   23.710   10.424 -12.9100   13.220  114.757   33.185   57.801   28.069 56.95602 43.46397 
1 1 1   11    7   40 o   57.132   26.981  -5.2983   10.471   1.3360   15.431 -10.9600   14.256   73.352   34.020   60.823   29.445 12.52906 44.99246 
1 1 1   11    7   41 o  149.826   21.433   34.194   8.0810   27.765   11.434   40.609   11.422  119.158   34.843  153.485   29.805 -34.32668 45.85129 
1 1 1   11    7   42 o  201.592   24.019   65.094   12.296   78.080   17.952   53.620   16.875  199.438   36.078  153.567   41.455 45.87137 54.95631 
1 1 1   11    8    0 o  706.346   11.651  647.516   21.317  626.600   37.399  657.581   25.944  693.278   20.826  711.477   14.077 -18.19910 25.13722 
1 1 1   11    8    1 o  551.678   9.2579  394.693   13.230  396.000   28.237  394.325   14.975  551.310   19.773  551.319   10.486 -0.9155273E-02 22.38150 
1 1 1   11    8    2 o  433.649   10.906  244.000   12.250  219.700   22.329  254.464   14.652  409.932   21.100  442.699   12.777 -32.76657 24.66678 
1 1 1   11    8    3 f  488.349   10.832  309.438   13.703  297.400   25.104  314.547   16.354  477.664   20.289  492.183   12.828 -14.51984 24.00418 
1 1 1   11    8    4 o  615.574   11.196  491.750   17.852  455.400   31.064  509.676   21.814  591.046   20.290  626.418   13.444 -35.37207 24.33967 
1 1 1   11    8    5 o  530.197   9.3145  364.591   12.792  321.284   17.405  415.466   18.865  497.327   13.511  565.618   12.876 -68.29172 18.66381 
1 1 1   11    8    6 o  699.584   9.9297  634.914   17.994  631.269   25.574  638.488   25.322  696.979   14.166  700.989   13.946 -4.010010 19.87813 
1 1 1   11    8    7 o  226.195   10.169   66.384   5.9584   58.953   8.6896   72.977   8.1858  212.297   15.918  236.630   13.410 -24.33360 20.81346 
1 1 1   11    8    8 o  255.922   9.8648   84.976   6.5395   72.023   9.5233   96.534   8.9958  234.771   15.751  272.613   12.739 -37.84215 20.25810 
1 1 1   11    8    9 o  341.736   12.993  151.733   11.501   0.0000   0.0000  151.733   11.501  ?   ?   341.736   12.993 0.000000 12.99286 
1 1 1   11    8   10 o  521.839   9.4801  353.319   12.814  335.348   17.960  371.956   18.289  507.909   13.651  534.978   13.198 -27.06900 18.98787 
1 1 1   11    8   11 o  352.448   9.2420  161.172   8.4374  206.000   17.802  148.184   9.5821  397.571   17.286  337.826   10.950 59.74466 20.46245 
1 1 1   11    8   12 o  178.982   11.632   41.790   5.3637   47.270   11.413   40.236   6.0767  188.389   23.927  175.389   13.479 13.00015 27.46207 
1 1 1   11    8   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    8   14 o  186.683   11.582   45.469   5.5732   42.510   11.704   46.337   6.3379  177.770   26.203  188.276   13.077 -10.50581 29.28451 
1 1 1   11    8   15 o  309.818   12.216  124.855   9.8034  173.400   17.098  101.080   11.966  364.172   18.125  277.754   16.709 86.41809 24.65188 
1 1 1   11    8   16 o  291.466   9.8841  110.373   7.4623  138.500   15.691  102.151   8.4831  324.656   18.738  280.225   11.687 44.43097 22.08387 
1 1 1   11    8   17 o  140.272   14.636   25.954   5.2395   29.810   11.556   24.957   5.8785  146.508   31.395  137.099   16.912 9.409592 35.66045 
1 1 1   11    8   18 o  429.719   12.959  240.818   14.424  261.800   22.164  225.400   18.999  446.227   19.175  414.505   17.695 31.72159 26.09172 
1 1 1   11    8   19 o  279.094   13.111  101.692   9.4781   93.280   16.159  106.104   11.703  263.886   23.900  284.107   15.967 -20.22055 28.74254 
1 1 1   11    8   20 o  179.600   13.085   42.370   6.0456   54.590   13.812   39.473   6.7240  199.768   27.415  172.899   15.167 26.86897 31.33051 
1 1 1   11    8   21 o  273.608   11.104   97.657   7.8700   96.350   16.822   98.023   8.9045  267.054   24.595  273.848   12.553 -6.794037 27.61342 
1 1 1   11    8   22 o  151.806   17.083   30.766   6.6008   0.0000   0.0000   30.766   6.6008  ?   ?   151.806   17.083 0.000000 17.08315 
1 1 1   11    8   23 o  167.197   16.235   37.197   6.9427   0.0000   0.0000   37.197   6.9427  ?   ?   167.197   16.235 0.000000 16.23519 
1 1 1   11    8   24 f  156.967   20.314   33.402   8.0660   36.910   14.432   31.809   9.7270  158.508   35.973  151.138   25.770 7.369644 44.25127 
1 1 1   11    8   25 o  153.844   16.359   31.668   6.4191   26.050   14.483   33.042   7.1608  131.659   39.399  156.677   17.969 -25.01794 43.30295 
1 1 1   11    8   26 o  119.391   17.225   19.324   5.1728   16.436   7.4760   21.978   7.1649  107.084   26.968  125.549   22.874 -18.46545 35.36234 
1 1 1   11    8   27 o  336.109   9.9204  147.809   8.6369  152.885   12.550  143.242   11.904  340.006   14.250  329.247   13.958 10.75922 19.94732 
1 1 1   11    8   28 o  170.428   13.812   38.688   6.0449   41.024   8.8419   36.638   8.2830  172.952   20.112  163.395   19.987 9.557297 28.35445 
1 1 1   11    8   29 o   86.551   25.047   10.773   5.9361   2.7200   7.5060   24.220   9.6993   65.420   27.094  127.405   29.903 -61.98524 40.35202 
1 1 1   11    8   30 o  150.830   18.726   31.320   7.1588   42.270   14.833   27.994   8.1738  164.122   35.890  140.271   23.315 23.85100 42.79782 
1 1 1   11    8   31 o  100.944   21.853   14.622   5.5483   17.863   8.3603   12.071   7.4171  108.594   29.122   90.428   28.415 18.16634 40.68776 
1 1 1   11    8   32 f  115.696   23.499   19.443   6.8021   18.453   8.8781   20.850   10.585  109.350   30.298  114.567   33.530 -5.216507 45.19129 
1 1 1   11    8   33 o  159.609   33.136   40.310   13.251   40.310   13.251   0.0000   0.0000  159.609   33.136  ?   ?  0.000000 33.13643 
1 1 1   11    8   34 o  105.575   23.353   16.477   6.2172   21.647   9.1781   12.094   8.4516  117.123   30.092   89.081   30.464 28.04248 42.81980 
1 1 1   11    8   35 o   48.560   22.023  -2.0922   5.9928   7.6654   8.6313 -11.1742   8.3271   76.830   29.994   46.271   22.425 30.55922 37.45069 
1 1 1   11    8   36 o  104.138   26.083   16.912   7.0206   27.229   10.570   8.7667   9.3917  127.796   32.001   79.486   31.214 48.30997 44.70327 
1 1 1   11    8   37 o  188.385   15.870   49.325   7.6719   54.828   10.959   44.038   10.743  192.480   22.400  169.634   25.217 22.84641 33.72893 
1 1 1   11    8   38 o  129.240   22.827   25.314   7.3625   25.336   10.749   25.294   10.105  119.106   33.459  120.789   31.844 -1.683464 46.19014 
1 1 1   11    8   39 f  131.515   42.755   38.360   16.684   38.360   16.684   0.0000   0.0000  131.515   42.755  ?   ?  0.000000 42.75527 
1 1 1   11    8   40 o   62.471   27.236   2.7523   8.2886  -0.8464   10.323   9.2800   13.904   61.613   28.305   80.284   35.131 -18.67120 45.11466 
1 1 1   11    8   41 o  104.814   27.987   19.062   7.7413   22.962   11.218   15.516   10.696  106.166   35.085   89.098   33.746 17.06815 48.67998 
1 1 1   11    9    0 o  914.923   12.855  1087.09   30.464  1116.00   55.408  1074.57   36.472  924.206   23.145  909.082   15.488 15.12494 27.84911 
1 1 1   11    9    1 o  727.199   10.131  686.059   19.083  629.600   38.086  704.984   22.050  694.663   21.166  736.974   11.551 -42.31140 24.11283 
1 1 1   11    9    2 f  402.945   9.2297  210.585   9.6335  173.000   21.226  220.335   10.811  363.243   22.672  412.109   10.128 -48.86581 24.83137 
1 1 1   11    9    3 o  388.712   11.085  196.098   11.162  174.400   20.924  204.729   13.196  364.775   22.251  397.034   12.831 -32.25974 25.68565 
1 1 1   11    9    4 o  365.735   9.5258  173.512   9.0244  176.641   13.055  170.649   12.488  368.715   13.669  362.438   13.302 6.276489 19.07361 
1 1 1   11    9    5 o  484.267   9.4269  304.206   11.825  275.073   16.432  335.495   17.030  460.087   13.788  508.213   12.937 -48.12616 18.90690 
1 1 1   11    9    6 o  317.029   9.7085  130.394   7.9726  128.146   11.627  132.390   10.953  313.972   14.296  319.211   13.247 -5.239838 19.49002 
1 1 1   11    9    7 o  633.675   9.7565  520.988   16.014  541.785   23.304  502.378   22.044  645.601   13.935  621.718   13.688 23.88293 19.53352 
1 1 1   11    9    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    9    9 o  484.435   9.4647  304.499   11.877  314.652   17.285  295.419   16.346  491.972   13.564  476.741   13.237 15.23053 18.95244 
1 1 1   11    9   10 o  387.966   9.6508  195.334   9.6986  195.445   14.050  195.233   13.405  387.649   13.992  387.511   13.354 0.1376953 19.34204 
1 1 1   11    9   11 o  157.711   14.136   32.617   5.7134   29.947   8.7527   34.600   7.5418  149.407   23.383  161.818   18.315 -12.41081 29.70222 
1 1 1   11    9   12 o  366.850   10.910  174.808   10.367   0.0000   0.0000  174.808   10.367  ?   ?   366.850   10.910 0.000000 10.90978 
1 1 1   11    9   13 o  295.667   12.319  113.676   9.4347  106.700   15.822  117.526   11.753  284.476   21.633  299.944   15.176 -15.46811 26.42585 
1 1 1   11    9   14 o  219.284   11.164   62.663   6.3201   77.890   14.005   58.769   7.0824  242.454   22.558  212.112   12.952 30.34265 26.01222 
1 1 1   11    9   15 f  279.046   10.475  101.202   7.5717   80.960   15.016  108.104   8.7679  246.719   23.792  288.274   11.742 -41.55504 26.53158 
1 1 1   11    9   16 o  180.749   12.681   42.761   5.8998   44.340   12.714   42.328   6.6603  180.550   28.099  179.546   14.443 1.003281 31.59396 
1 1 1   11    9   17 o  415.096   13.060  224.694   14.043  252.100   21.814  205.300   18.351  437.940   19.230  395.591   17.908 42.34930 26.27693 
1 1 1   11    9   18 o  230.033   11.310   68.932   6.7394   83.070   15.094   65.412   7.5318  249.060   23.682  223.493   13.067 25.56648 27.04782 
1 1 1   11    9   19 o  329.986   10.124  141.769   8.6532  188.600   19.552  130.362   9.6498  377.232   20.082  316.140   11.784 61.09222 23.28365 
1 1 1   11    9   20 o  207.072   12.161   56.190   6.4945   66.560   14.170   53.432   7.3073  221.484   25.144  201.504   14.088 19.97987 28.82172 
1 1 1   11    9   21 o  235.274   13.203   72.697   8.0136   0.0000   0.0000   72.697   8.0136  ?   ?   235.274   13.203 0.000000 13.20274 
1 1 1   11    9   22 o  145.144   15.918   28.070   5.8863   27.070   14.496   28.268   6.4412  135.572   39.114  145.251   17.470 -9.678848 42.83865 
1 1 1   11    9   23 f  185.348   21.458   46.557   10.111   0.0000   0.0000   46.557   10.111  ?   ?   185.348   21.458 0.000000 21.45759 
1 1 1   11    9   24 o  221.349   12.401   64.443   7.0819   86.140   15.975   59.136   7.9007  250.589   24.942  211.404   14.516 39.18459 28.85834 
1 1 1   11    9   25 o  295.999   11.147  114.738   8.5471  123.100   18.518  112.475   9.6347  299.815   24.047  292.581   12.713 7.233856 27.20050 
1 1 1   11    9   26 o  262.010   11.712   90.125   7.9490  100.200   17.158   87.372   8.9697  269.029   24.904  257.068   13.518 11.96078 28.33659 
1 1 1   11    9   27 o  116.502   21.664   19.000   6.2970   16.320   12.816   19.853   7.2298  106.420   37.453  118.074   24.444 -11.65444 44.72417 
1 1 1   11    9   28 o  152.012   14.780   31.002   5.7460   32.692   8.5167   29.590   7.7847  153.013   22.131  145.872   21.225 7.140656 30.66369 
1 1 1   11    9   29 o   62.538   26.670   1.2808   7.6148   8.9810   13.126  -2.6250   9.3486   90.215   36.407   61.669   27.779 28.54525 45.79450 
1 1 1   11    9   30 o   91.109   22.419   11.975   5.2548   13.201   7.9320   11.017   7.0151   94.211   29.349   87.027   27.668 7.184052 40.33468 
1 1 1   11    9   31 o   49.574   21.676  -0.3913   5.2841  -4.5170   8.1227   2.6357   6.9575   54.089   24.943   62.794   26.052 -8.704681 36.06740 
1 1 1   11    9   32 o   88.874   24.547   11.676   5.8377   3.3958   8.4643   19.188   8.0620   68.468   28.598  112.405   27.835 -43.93666 39.90795 
1 1 1   11    9   33 o  177.695   22.368   45.239   10.067   45.239   10.067   0.0000   0.0000  177.695   22.368  ?   ?  0.000000 22.36788 
1 1 1   11    9   34 o  143.358   18.611   28.894   6.7479   34.108   9.6673   23.940   9.4232  150.997   25.633  122.974   29.877 28.02260 39.36641 
1 1 1   11    9   35 o  234.937   13.592   74.756   8.2363   91.676   11.997   59.669   11.328  255.909   18.217  202.892   21.902 53.01700 28.48752 
1 1 1   11    9   36 o  168.480   17.475   39.951   7.5153   37.941   10.533   42.035   10.726  156.075   27.032  165.553   25.859 -9.477905 37.40834 
1 1 1   11    9   37 o   83.907   27.802   11.308   7.0423   6.4012   9.8541   16.429   10.068   73.859   30.854   96.662   33.243 -22.80359 45.35433 
1 1 1   11    9   38 o   57.821   24.965   1.8326   6.8280   0.0392   9.7266   3.5749   9.5874   62.393   28.199   67.580   29.380 -5.186779 40.72263 
1 1 1   11    9   39 o   86.106   33.717   13.077   10.931   7.0740   15.633   18.820   15.291   79.677   35.904   95.629   39.035 -15.95217 53.03591 
1 1 1   11    9   40 o  126.082   24.823   25.514   7.8185   15.852   11.181   34.760   10.937   90.438   34.442  140.396   30.910 -49.95795 46.27858 
1 1 1   11    9   41 o   48.416   22.801  -4.1061   7.3834   7.8481   11.356 -12.8605   9.7179   73.791   32.027   47.045   23.104 26.74599 39.49099 
1 1 1   11   10    0 o  392.327   9.4670  199.671   9.6208  209.100   21.606  197.339   10.745  399.703   20.941  389.947   10.638 9.756195 23.48794 
1 1 1   11   10    1 o  698.676   10.029  633.369   18.151  626.000   38.083  635.534   20.647  692.427   21.233  699.686   11.392 -7.259399 24.09608 
1 1 1   11   10    2 o  261.838   12.915   89.063   8.7592   76.890   17.228   93.307   10.172  240.354   28.209  267.480   14.738 -27.12631 31.82664 
1 1 1   11   10    3 o  606.411   9.7699  477.108   15.346  464.660   21.635  489.715   21.772  597.902   13.969  613.853   13.693 -15.95087 19.56078 
1 1 1   11   10    4 o  513.720   9.5969  342.391   12.770  323.042   17.875  362.566   18.252  498.529   13.842  528.214   13.340 -29.68500 19.22351 
1 1 1   11   10    5 o  408.743   9.7459  216.777   10.319  185.344   14.408  249.878   14.785  377.507   14.734  438.529   13.016 -61.02167 19.65965 
1 1 1   11   10    6 o  374.276   9.6462  181.763   9.3519  195.053   13.736  170.279   12.768  387.357   13.689  361.929   13.620 25.42789 19.31050 
1 1 1   11   10    7 o  271.687   10.662   95.823   7.5034   91.200   10.893   99.997   10.351  264.193   15.993  276.896   14.481 -12.70313 21.57513 
1 1 1   11   10    8 o  361.803   9.7108  169.878   9.1007  164.096   12.988  175.455   12.756  355.194   14.117  367.359   13.405 -12.16492 19.46720 
1 1 1   11   10    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   10   10 o  765.067   10.590  760.099   20.988  762.969   29.916  757.316   29.452  765.468   15.088  762.676   14.908 2.792664 21.21053 
1 1 1   11   10   11 o  400.845   11.869  208.839   12.324  192.900   23.105  215.177   14.569  382.603   23.427  406.624   13.832 -24.02124 27.20567 
1 1 1   11   10   12 f  196.252   17.558   50.690   8.8312   53.028   10.408   44.680   16.689  200.226   20.350  179.368   37.141 20.85789 42.35116 
1 1 1   11   10   13 o  264.948   12.817   91.356   8.7959  150.400   16.112   66.289   10.498  338.592   18.441  224.424   18.216 114.1684 25.92090 
1 1 1   11   10   14 o  610.095   9.8726  483.595   15.602  463.700   30.746  490.494   18.106  594.538   19.965  614.115   11.382 -19.57690 22.98136 
1 1 1   11   10   15 o  390.573   13.359  198.831   13.515  194.600   20.136  202.300   18.232  384.292   20.301  392.973   17.911 -8.681091 27.07244 
1 1 1   11   10   16 o  121.359   23.982   20.157   7.2715   12.740   12.578   23.880   8.9116  103.098   37.015  131.617   27.044 -28.51926 45.84191 
1 1 1   11   10   17 o  358.169   10.091  166.911   9.3625  204.900   20.126  156.420   10.577  394.315   19.704  346.442   11.786 47.87317 22.96026 
1 1 1   11   10   18 o  113.659   19.114   17.478   5.4277   45.740   13.962   12.446   5.8911  181.469   30.803   94.857   23.967 86.61147 39.02868 
1 1 1   11   10   19 f  365.863   10.254  174.388   9.7179  148.600   20.486  181.876   11.039  332.635   23.936  373.373   11.414 -40.73813 26.51801 
1 1 1   11   10   20 o  505.159   11.516  333.228   15.069   0.0000   0.0000  333.228   15.069  ?   ?   505.159   11.516 0.000000 11.51577 
1 1 1   11   10   21 o   56.237   23.340   1.3069   5.5872   0.0000   0.0000   1.3069   5.5872  ?   ?    56.237   23.340 0.000000 23.34015 
1 1 1   11   10   22 o  162.173   15.457   34.955   6.4145   30.020   15.335   36.001   7.0620  141.745   40.014  164.221   16.840 -22.47627 43.41325 
1 1 1   11   10   23 o  309.591   16.819  127.282   13.437   0.0000   0.0000  127.282   13.437  ?   ?   309.591   16.819 0.000000 16.81877 
1 1 1   11   10   24 o  314.487   11.188  129.495   9.1138  121.600   19.537  131.691   10.304  297.078   25.640  316.695   12.560 -19.61743 28.55110 
1 1 1   11   10   25 o  180.681   14.328   43.372   6.6508   43.060   15.617   43.441   7.3507  169.179   36.693  180.306   15.902 -11.12689 39.99053 
1 1 1   11   10   26 o  127.509   18.699   22.251   5.9926   0.5340   14.599   26.652   6.5717   81.849   35.903  139.788   18.612 -57.93875 40.43994 
1 1 1   11   10   27 o  158.716   15.645   33.876   6.3483   38.040   14.155   32.828   7.1027  157.467   35.545  155.308   17.989 2.158661 39.83765 
1 1 1   11   10   28 o  124.176   25.136   22.261   7.8076   25.630   12.915   20.320   9.8014  127.223   36.981  115.644   31.752 11.57959 48.74207 
1 1 1   11   10   29 o   67.654   25.191   5.4435   5.9072   8.7260   12.293   4.4579   6.7360   87.922   35.320   66.962   26.391 20.95933 44.09007 
1 1 1   11   10   30 f   94.042   23.132   12.865   5.5961   18.213   8.7851   9.2129   7.2595  109.051   30.110   81.204   28.211 27.84663 41.26084 
1 1 1   11   10   31 o   76.352   24.002   8.3579   5.2918   16.631   7.9484   1.7712   7.0921  104.423   28.561   61.119   25.889 43.30401 38.54865 
1 1 1   11   10   32 o   83.590   26.310   10.343   6.3560   34.020   11.722   0.4834   7.5646  147.229   31.676   59.794   26.045 87.43512 41.00907 
1 1 1   11   10   33 o  131.299   28.167   26.528   9.2927   26.528   9.2927   0.0000   0.0000  131.299   28.167  ?   ?  0.000000 28.16708 
1 1 1   11   10   34 o   82.420   28.062   10.268   7.1714   7.3655   9.0658   15.120   11.722   76.720   30.495   96.171   35.550 -19.45139 46.83796 
1 1 1   11   10   35 o   92.399   26.957   13.478   6.8513   10.275   9.8414   16.490   9.5438   83.225   32.157   99.000   32.345 -15.77493 45.60938 
1 1 1   11   10   36 o  113.542   24.789   19.974   7.0862   25.020   10.147   15.171   9.9000  120.999   31.916   93.984   32.928 27.01496 45.85691 
1 1 1   11   10   37 o   63.919   26.380   4.2597   7.0803   8.9927   10.270  -0.0276   9.7745   78.845   32.065   62.626   28.289 16.21895 42.76065 
1 1 1   11   10   38 o  102.498   40.348   22.680   15.728   22.680   15.728   0.0000   0.0000  102.498   40.348  ?   ?  0.000000 40.34837 
1 1 1   11   10   39 o   97.031   28.584   16.264   7.6701   10.192   10.602   22.932   11.110   79.461   32.478  108.372   34.858 -28.91056 47.64329 
1 1 1   11   10   40 o  167.998   19.169   41.897   8.1923   60.447   11.663   23.830   11.510  196.230   23.407  107.574   35.539 88.65614 42.55458 
1 1 1   11   10   41 o   54.731   25.424  -1.8108   8.6711   10.180   14.557  -8.4045   10.795   77.880   34.907   53.093   25.683 24.78696 43.33698 
1 1 1   11   11    0 o  1061.35   14.343  1464.87   39.433  1399.00   66.653  1500.34   48.911  1033.00   24.910  1073.02   17.597 -40.01953 30.49864 
1 1 1   11   11    1 f  238.538   14.054   74.238   8.6456   55.830   16.966   80.694   10.048  202.889   33.450  248.515   15.690 -45.62628 36.94639 
1 1 1   11   11    2 o  608.002   9.9950  479.731   15.741  451.472   21.989  509.437   22.544  589.188   14.408  625.959   13.904 -36.77094 20.02267 
1 1 1   11   11    3 o  450.266   9.8980  263.101   11.544  235.603   15.997  292.984   16.676  425.601   14.511  474.735   13.561 -49.13470 19.86109 
1 1 1   11   11    4 o  652.843   10.094  553.163   17.069  548.256   24.314  557.930   23.967  649.223   14.458  654.990   14.126 -5.766907 20.21378 
1 1 1   11   11    5 o  398.462   14.351  206.532   14.812  206.532   14.812   0.0000   0.0000  398.462   14.351  ?   ?  0.000000 14.35106 
1 1 1   11   11    6 o  266.310   11.134   92.102   7.6808   82.058   11.121  101.265   10.621  250.312   17.257  278.570   14.772 -28.25720 22.71581 
1 1 1   11   11    7 o  350.714   10.225  159.682   9.2889  153.471   13.368  165.481   12.917  343.355   15.030  356.659   13.982 -13.30402 20.52775 
1 1 1   11   11    8 o  131.557   17.286   22.954   5.7481   14.674   8.6084   29.616   7.7218  104.187   30.166  149.118   20.536 -44.93186 36.49221 
1 1 1   11   11    9 o  313.006   12.335  127.370   10.001   87.450   18.184  144.682   11.975  255.960   27.878  333.434   13.865 -77.47443 31.13515 
1 1 1   11   11   10 o  223.931   21.707   66.344   12.433   67.250   17.234   65.360   17.955  223.211   30.613  219.419   32.580 3.791504 44.70575 
1 1 1   11   11   11 o  241.683   12.432   76.179   7.7564   79.623   11.638   73.426   10.404  246.109   18.389  236.529   17.096 9.579620 25.10824 
1 1 1   11   11   12 o  593.125   10.230  457.083   15.717  446.343   22.536  467.251   21.929  585.082   14.870  598.821   14.137 -13.73907 20.51810 
1 1 1   11   11   13 o  385.860   11.782  193.721   11.776  197.600   19.988  191.659   14.574  387.545   19.979  383.315   14.678 4.229645 24.79130 
1 1 1   11   11   14 o  253.174   14.696   83.943   9.5964   97.210   15.531   75.750   12.205  270.641   22.354  239.340   19.866 31.30161 29.90626 
1 1 1   11   11   15 o  217.592   12.037   61.867   6.7579   90.250   15.461   55.164   7.5135  260.188   23.184  205.056   14.234 55.13153 27.20457 
1 1 1   11   11   16 o  244.115   11.535   77.647   7.2942   83.990   16.114   76.012   8.1802  249.911   25.239  240.964   13.156 8.946228 28.46177 
1 1 1   11   11   17 o  413.103   10.135  222.170   10.845  211.200   22.447  225.510   12.386  398.494   21.829  415.889   11.498 -17.39459 24.67206 
1 1 1   11   11   18 o  189.732   13.722   47.353   6.6982   21.560   15.264   53.505   7.4543  124.258   40.919  201.594   14.369 -77.33631 43.36887 
1 1 1   11   11   19 o  269.017   13.229   94.748   9.2187   0.0000   0.0000   94.748   9.2187  ?   ?   269.017   13.229 0.000000 13.22937 
1 1 1   11   11   20 o  335.369   11.918  147.070   10.353   0.0000   0.0000  147.070   10.353  ?   ?   335.369   11.918 0.000000 11.91756 
1 1 1   11   11   21 o  307.972   10.853  123.899   8.6575   88.600   17.563  135.230   9.9505  253.593   27.159  321.455   11.950 -67.86150 29.67170 
1 1 1   11   11   22 o  166.907   22.702   38.144   9.5603   0.0000   0.0000   38.144   9.5603  ?   ?   166.907   22.702 0.000000 22.70213 
1 1 1   11   11   23 o  182.218   14.374   44.026   6.7292   46.990   14.706   43.242   7.5680  180.236   32.704  179.946   16.417 0.2899323 36.59356 
1 1 1   11   11   24 o  182.890   14.624   44.463   6.8701   49.250   15.856   43.357   7.6228  182.630   34.788  179.947   16.539 2.683609 38.51922 
1 1 1   11   11   25 o   86.163   24.728   10.511   5.8075   14.160   14.394   9.8012   6.3471  103.803   39.187   83.821   26.277 19.98190 47.18118 
1 1 1   11   11   26 o  211.312   13.433   59.274   7.3146   67.760   16.616   57.235   8.1464  215.811   30.579  206.880   15.311 8.930969 34.19770 
1 1 1   11   11   27 o  163.213   21.621   37.098   8.9159   24.130   14.928   44.290   11.116  122.731   40.469  176.589   25.001 -53.85791 47.56915 
1 1 1   11   11   28 o  153.173   16.951   31.965   6.6129   30.880   15.184   32.219   7.3462  136.601   40.211  152.869   18.959 -16.26854 44.45611 
1 1 1   11   11   29 o   65.432   25.080   4.7391   5.9527  -0.8526   13.008   6.2201   6.6948   73.942   33.079   71.494   26.779 2.448074 42.56016 
1 1 1   11   11   30 o   96.312   24.411   13.679   6.0979   15.150   12.788   13.246   6.9375   99.994   37.097   94.018   27.039 5.976555 45.90565 
1 1 1   11   11   31 o  197.964   16.459   53.533   8.3635   29.700   16.360   61.966   9.7312  128.685   42.363  212.105   17.879 -83.42026 45.98129 
1 1 1   11   11   32 o  103.367   29.330   16.722   8.2169   25.270   11.219   6.8320   12.068  123.976   33.942   81.621   34.124 42.35527 48.13049 
1 1 1   11   11   33 o  170.634   15.656   39.961   6.8425   43.528   9.9837   36.801   9.3965  172.941   22.846  158.255   23.647 14.68501 32.88069 
1 1 1   11   11   34 o  138.996   22.286   28.403   7.7527   18.457   9.7153   45.840   12.864  104.801   32.454  169.311   30.451 -64.51046 44.50297 
1 1 1   11   11   35 o  243.825   19.313   84.889   12.098   84.889   12.098   0.0000   0.0000  243.825   19.313  ?   ?  0.000000 19.31327 
1 1 1   11   11   36 o  151.127   19.444   33.133   7.4349   29.527   10.956   36.212   10.123  130.351   32.547  151.292   26.812 -20.94054 42.16829 
1 1 1   11   11   37 o   55.960   26.438  -5.7145   10.070  -5.7145   10.070   0.0000   0.0000   55.960   26.438  ?   ?  0.000000 26.43753 
1 1 1   11   11   38 o   60.693   28.034  -1.6963   10.323   3.0330   14.950  -6.0060   14.272   74.107   34.051   64.509   30.762 9.597336 45.88832 
1 1 1   11   11   39 o   63.570   26.458   4.6603   7.2084  -2.0246   10.243   11.218   10.146   59.408   27.609   80.522   32.179 -21.11404 42.39948 
1 1 1   11   11   40 o   79.300   28.713   11.111   7.5879   7.9344   11.245   13.766   10.281   73.664   31.921   84.380   32.793 -10.71591 45.76421 
1 1 1   11   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   12    0 o  312.672   16.619  127.743   13.412  124.100   19.081  131.300   18.856  306.653   24.218  315.707   23.221 -9.053436 33.55213 
1 1 1   11   12    1 o  813.883   15.755  862.625   33.215  864.300   47.339  861.000   46.614  812.373   22.496  810.941   22.191 1.431335 31.59958 
1 1 1   11   12    2 o  234.520   19.927   72.368   11.990   78.870   17.999   67.180   16.077  242.828   29.202  224.071   28.333 18.75677 40.68747 
1 1 1   11   12    3 o  647.058   11.930  544.007   19.995  534.600   35.919  548.231   24.069  639.072   21.698  649.106   14.315 -10.03394 25.99485 
1 1 1   11   12    4 o  385.200   11.900  192.801   11.873  181.200   21.799  197.695   14.158  371.148   22.784  389.811   14.021 -18.66309 26.75301 
1 1 1   11   12    5 o  551.914   11.701  395.794   16.728  366.000   29.521  409.885   20.302  528.693   21.557  561.268   13.964 -32.57465 25.68428 
1 1 1   11   12    6 f  308.417   13.098  123.713   10.464  122.600   20.350  124.113   12.200  304.085   26.089  308.685   15.258 -4.599487 30.22283 
1 1 1   11   12    7 o  434.699   15.650  246.262   17.622  249.200   25.317  243.500   24.544  435.281   22.531  430.390   22.091 4.891174 31.55403 
1 1 1   11   12    8 o  320.006   17.227  134.054   14.227  144.800   21.103  125.100   19.262  330.783   24.809  307.446   24.388 23.33649 34.78893 
1 1 1   11   12    9 o  420.001   10.142  229.127   11.034  220.551   15.972  236.955   15.260  411.364   14.990  426.591   13.810 -15.22687 20.38132 
1 1 1   11   12   10 o  416.219   11.348  225.234   12.235  230.000   20.863  222.736   15.105  419.101   19.218  413.473   14.103 5.627594 23.83758 
1 1 1   11   12   11 o  485.315   13.355  306.791   16.788  285.500   24.183  326.600   23.325  466.523   20.012  499.572   18.025 -33.04880 26.93274 
1 1 1   11   12   12 o  416.242   17.937  226.900   19.339   0.0000   0.0000  226.900   19.339  ?   ?   416.242   17.937 0.000000 17.93690 
1 1 1   11   12   13 o  255.029   12.487   84.735   8.2492   82.045   12.377   86.884   11.065  249.213   19.325  257.123   16.704 -7.910080 25.54360 
1 1 1   11   12   14 o  190.531   13.182   47.580   6.4660   43.770   14.200   48.577   7.2626  177.651   32.036  192.252   14.695 -14.60069 35.24543 
1 1 1   11   12   15 o  268.668   11.014   94.015   7.6647  107.300   16.973   90.612   8.5904  283.379   23.330  263.535   12.584 19.84457 26.50796 
1 1 1   11   12   16 o  129.627   17.538   22.488   5.7376   49.820   14.715   17.587   6.2308  189.370   31.076  113.305   22.023 76.06463 38.08855 
1 1 1   11   12   17 o  176.075   14.612   40.910   6.6043   53.070   16.581   38.617   7.2000  193.690   34.305  170.598   16.499 23.09207 38.06670 
1 1 1   11   12   18 o  165.705   17.436   36.615   7.3718   0.0000   0.0000   36.615   7.3718  ?   ?   165.705   17.436 0.000000 17.43624 
1 1 1   11   12   19 o  234.412   13.849   72.343   8.3719   0.0000   0.0000   72.343   8.3719  ?   ?   234.412   13.849 0.000000 13.84921 
1 1 1   11   12   20 o  631.385   10.476  520.490   17.133  451.100   33.069  545.952   20.032  579.888   22.016  645.850   11.974 -65.96143 25.06115 
1 1 1   11   12   21 o  206.992   14.762   56.723   7.8633   0.0000   0.0000   56.723   7.8633  ?   ?   206.992   14.762 0.000000 14.76242 
1 1 1   11   12   22 o  224.568   15.986   67.069   9.2385   97.230   18.814   57.486   10.605  264.073   27.929  206.236   20.108 57.83774 34.41425 
1 1 1   11   12   23 o  278.136   11.575  101.460   8.3390   93.510   17.547  103.779   9.4776  259.160   26.513  280.829   13.029 -21.66885 29.54093 
1 1 1   11   12   24 o  148.078   17.236   29.628   6.4875   14.560   14.923   33.140   7.2039  105.252   39.860  156.382   18.120 -51.12981 43.78497 
1 1 1   11   12   25 o  219.753   13.190   64.012   7.4735   71.990   15.562   61.620   8.5203  225.132   27.240  214.693   15.424 10.43881 31.30379 
1 1 1   11   12   26 o   78.417   29.211   7.5462   7.9446   14.680   12.450   2.6460   10.318  101.357   36.767   73.415   31.170 27.94146 48.20130 
1 1 1   11   12   27 o  103.737   23.805   15.566   6.2611   33.420   13.378   10.559   7.0849  145.583   35.740   85.809   27.860 59.77375 45.31565 
1 1 1   11   12   28 o   78.504   25.544   8.7327   5.9545   7.6780   12.901   9.0181   6.7121   86.573   35.656   80.144   27.150 6.429611 44.81594 
1 1 1   11   12   29 f  141.271   18.837   27.756   6.7214   36.440   14.011   25.160   7.6604  149.585   36.485  132.119   23.232 17.46570 43.25410 
1 1 1   11   12   30 o  102.619   24.252   15.574   6.3444 -10.2800   14.074   22.167   7.1075   65.622   31.078  123.608   23.046 -57.98579 38.69061 
1 1 1   11   12   31 o   71.873   26.248   6.8573   6.3607   22.970   14.493   3.0131   7.0789  114.720   39.859   63.339   26.278 51.38146 47.74229 
1 1 1   11   12   32 o   64.640   27.145   3.0061   7.6892   6.6350   14.584   1.6089   9.0492   84.430   36.469   65.650   28.542 18.78048 46.31041 
1 1 1   11   12   33 o   39.657   19.478 -12.1705   6.9140  -4.3860   14.051 -14.6575   7.9420   69.267   32.239   41.647   20.537 27.61982 38.22460 
1 1 1   11   12   34 o   89.098   26.925   12.573   6.7396   12.064   8.1439   13.680   12.006   86.754   29.894   91.208   35.440 -4.454086 46.36419 
1 1 1   11   12   35 o   77.479   27.760   9.2431   7.0708   16.095   10.384   3.3196   9.6550   95.518   33.703   67.949   29.511 27.56924 44.79718 
1 1 1   11   12   36 o   87.695   27.436   12.674   6.9233   7.9088   9.6429   17.743   9.9462   75.612   30.947   98.958   33.052 -23.34551 45.27831 
1 1 1   11   12   37 o   59.239   28.879 -13.4200   14.370 -13.4200   14.370   0.0000   0.0000   59.239   28.879  ?   ?  0.000000 28.87893 
1 1 1   11   12   38 f   72.107   27.638   8.0391   7.2287   3.0387   10.433   12.657   10.026   66.723   29.753   83.994   32.455 -17.27163 44.02940 
1 1 1   11   12   39 o  234.356   15.111   77.638   9.1241   83.897   13.302   72.076   12.539  232.569   22.356  214.646   22.905 17.92372 32.00706 
1 1 1   11   12   40 o  158.123   20.561   38.506   8.2224   42.862   11.777   34.363   11.485  153.023   30.779  132.118   33.509 20.90541 45.49932 
1 1 1   11   13    0 o  529.157   13.882  364.387   19.027  371.000   27.851  358.600   26.056  532.525   20.191  523.800   19.204 8.724487 27.86501 
1 1 1   11   13    1 o  519.318   11.489  350.441   15.454  272.400   24.711  400.576   19.806  456.127   20.915  554.824   13.781 -98.69699 25.04680 
1 1 1   11   13    2 o  503.118   11.507  328.932   14.996  358.800   26.409  314.718   18.218  523.845   19.462  491.682   14.304 32.16370 24.15357 
1 1 1   11   13    3 o  862.766   12.901  968.173   28.832  982.600   49.969  960.973   35.301  865.535   22.288  858.617   15.872 6.917358 27.36191 
1 1 1   11   13    4 o  634.647   20.164  527.200   33.148  527.200   33.148   0.0000   0.0000  634.647   20.164  ?   ?  0.000000 20.16390 
1 1 1   11   13    5 o  222.255   14.866   64.639   8.5091   52.820   14.249   71.190   10.608  197.873   28.633  232.811   17.724 -34.93832 33.67486 
1 1 1   11   13    6 o  329.769   14.174  141.631   12.107  148.800   17.912  135.600   16.429  336.353   20.658  321.224   19.842 15.12839 28.64367 
1 1 1   11   13    7 o  349.945   13.930  159.500   12.627  159.500   18.844  159.500   17.011  348.099   20.997  348.628   18.908 -0.5282288 28.25533 
1 1 1   11   13    8 o  151.410   20.847   30.625   7.9592   30.190   12.388   30.930   10.387  147.456   33.228  150.571   27.650 -3.114456 43.22796 
1 1 1   11   13    9 f  215.794   14.874   61.024   8.2636   43.540   10.908   84.570   12.659  180.199   23.964  253.275   19.444 -73.07648 30.86028 
1 1 1   11   13   10 o  209.873   13.376   57.626   7.2336   54.185   10.689   60.534   9.8256  202.046   20.716  214.301   17.863 -12.25462 27.35393 
1 1 1   11   13   11 o  192.468   14.972   48.660   7.4056   44.032   11.182   52.276   9.8838  180.853   24.500  198.606   19.462 -17.75296 31.28972 
1 1 1   11   13   12 o  236.008   12.995   72.845   7.9136   65.061   11.933   78.956   10.573  221.212   21.081  244.971   16.763 -23.75954 26.93293 
1 1 1   11   13   13 f  193.111   14.945   49.058   7.4176   50.696   11.254   47.800   9.8629  194.396   22.783  189.335   20.434 5.060837 30.60413 
1 1 1   11   13   14 o  278.860   12.220  101.447   8.8269   88.160   13.022  112.741   12.006  257.783   19.650  292.831   15.888 -35.04770 25.26914 
1 1 1   11   13   15 o  159.450   15.663   33.667   6.3855   30.940   15.219   34.249   7.0347  146.041   39.347  160.482   17.190 -14.44110 42.93769 
1 1 1   11   13   16 o  182.231   14.124   43.765   6.6150   25.520   15.226   48.010   7.3443  132.864   40.541  190.713   14.988 -57.84930 43.22252 
1 1 1   11   13   17 o  150.016   18.031   30.153   6.8662   0.0000   0.0000   30.153   6.8662  ?   ?   150.016   18.031 0.000000 18.03072 
1 1 1   11   13   18 o  128.976   19.924   22.613   6.4420   0.0000   0.0000   22.613   6.4420  ?   ?   128.976   19.924 0.000000 19.92444 
1 1 1   11   13   19 o  229.696   15.653   69.896   9.2579   49.370   17.917   77.373   10.813  182.299   39.113  241.090   17.433 -58.79012 42.82244 
1 1 1   11   13   20 o  156.092   17.290   32.682   6.8735   8.5440   16.017   38.130   7.6098   98.259   40.012  168.611   17.687 -70.35204 43.74702 
1 1 1   11   13   21 o   99.308   30.968   13.962   8.8287   0.0000   0.0000   13.962   8.8287  ?   ?    99.308   30.968 0.000000 30.96782 
1 1 1   11   13   22 o  263.745   12.093   91.345   8.2619  103.300   18.018   88.163   9.2969  272.935   25.792  258.170   13.954 14.76483 29.32459 
1 1 1   11   13   23 o  214.038   13.643   60.713   7.5248   84.410   17.265   55.155   8.3607  244.496   27.752  203.087   16.023 41.40868 32.04584 
1 1 1   11   13   24 o  241.148   12.435   76.845   7.7410  109.100   17.151   68.593   8.6749  280.421   23.838  226.833   14.846 53.58772 28.08274 
1 1 1   11   13   25 o  259.424   16.390   90.463   10.957   93.560   16.695   88.120   14.522  257.501   25.359  252.054   22.478 5.446991 33.88749 
1 1 1   11   13   26 o  112.060   22.252   17.892   6.2312   27.440   13.163   15.135   7.0741  130.904   37.115  101.322   26.611 29.58204 45.66879 
1 1 1   11   13   27 o  203.788   14.254   55.707   7.4768   22.850   15.614   65.482   8.5168  117.559   41.343  220.624   14.992 -103.0651 43.97749 
1 1 1   11   13   28 o  124.076   20.956   21.844   6.4952   39.410   14.808   17.659   7.2276  155.014   37.325  108.909   25.983 46.10464 45.47788 
1 1 1   11   13   29 o  103.443   24.380   15.838   6.4257   23.070   14.855   14.174   7.1270  115.989   40.351   96.710   27.271 19.27827 48.70271 
1 1 1   11   13   30 o  157.130   17.501   34.182   7.0021   40.520   14.618   32.295   7.9767  155.631   36.834  150.609   21.020 5.021957 42.40975 
1 1 1   11   13   31 o   96.964   28.437   14.683   7.6065   0.0000   0.0000   14.683   7.6065  ?   ?    96.964   28.437 0.000000 28.43712 
1 1 1   11   13   32 f   75.216   27.244   8.0388   6.8324   16.790   14.624   5.5952   7.7276   99.625   39.001   70.109   28.060 29.51590 48.04644 
1 1 1   11   13   33 o   52.181   23.439  -1.1771   6.6021   5.4000   14.234  -2.9798   7.4522   80.030   35.268   52.345   24.048 27.68491 42.68584 
1 1 1   11   13   34 o   61.720   25.819   3.2913   6.9147   1.5970   14.691   3.7735   7.8370   74.861   34.155   64.996   27.355 9.865631 43.75939 
1 1 1   11   13   35 o   83.869   32.467   11.576   10.047   9.8510   15.246   12.900   13.359   84.134   36.802   87.555   36.194 -3.421326 51.61779 
1 1 1   11   13   36 o   73.632   33.842   2.4500   14.781   2.4500   14.781   0.0000   0.0000   73.632   33.842  ?   ?  0.000000 33.84164 
1 1 1   11   13   37 o   88.255   28.210   13.425   7.2852   14.693   10.626   12.301   10.008   88.526   33.608   83.375   32.368 5.150696 46.66039 
1 1 1   11   13   38 o   99.829   28.174   17.464   7.6031   21.657   11.261   13.952   10.307  102.576   35.164   85.701   32.966 16.87568 48.19993 
1 1 1   11   13   39 o   55.311   24.818   0.7756   7.3802   7.0527   10.640  -5.0456   10.246   71.165   30.944   54.951   26.165 16.21383 40.52362 
1 1 1   11   13   40 o   59.916   26.818   2.5762   8.5614   3.5770   14.830   2.0758   10.485   69.167   32.492   62.418   28.619 6.748928 43.29905 
1 1 1   11   14    0 o  318.177   11.448  131.606   9.4348  142.061   14.149  123.235   12.660  329.483   16.632  306.944   15.979 22.53983 23.06394 
1 1 1   11   14    1 o  338.408   11.216  148.855   9.8315  141.556   14.293  155.410   13.545  328.849   16.836  345.269   15.145 -16.42023 22.64534 
1 1 1   11   14    2 o  845.195   11.272  928.596   24.677  916.475   34.864  940.765   34.933  838.083   16.060  849.186   15.881 -11.10345 22.58600 
1 1 1   11   14    3 o  337.967   11.054  148.465   9.6768  150.893   14.262  146.394   13.173  340.022   16.192  335.071   15.178 4.951569 22.19360 
1 1 1   11   14    4 o  260.912   12.443   88.579   8.4094   73.296   12.071  102.991   11.722  235.668   19.962  280.428   16.206 -44.75986 25.71218 
1 1 1   11   14    5 o  200.470   14.589   52.665   7.5237   49.560   10.797   55.596   10.490  192.983   21.992  204.979   20.011 -11.99611 29.73415 
1 1 1   11   14    6 o  330.770   10.933  142.246   9.3671  134.905   13.481  149.099   13.025  320.974   16.268  338.093   14.873 -17.11896 22.04159 
1 1 1   11   14    7 o  229.191   13.358   68.670   7.8959   64.925   11.471   72.042   10.886  221.496   20.215  233.882   18.109 -12.38643 27.14042 
1 1 1   11   14    8 o  294.602   16.312  113.802   12.399   0.0000   0.0000  113.802   12.399  ?   ?   294.602   16.312 0.000000 16.31166 
1 1 1   11   14    9 o  448.372   10.293  261.411   11.955  248.033   17.088  274.237   16.731  435.745   15.139  458.446   14.089 -22.70163 20.68107 
1 1 1   11   14   10 o  223.866   18.610   66.244   10.694   0.0000   0.0000   66.244   10.694  ?   ?   223.866   18.610 0.000000 18.60961 
1 1 1   11   14   11 o  393.298   10.760  201.349   10.962  204.004   16.191  199.101   14.896  394.729   15.835  390.240   14.737 4.489471 21.63122 
1 1 1   11   14   12 o  339.340   11.343  150.049   9.9708  144.593   14.760  154.628   13.523  331.368   17.255  343.654   15.192 -12.28650 22.98961 
1 1 1   11   14   13 o  234.665   13.663   72.246   8.2691   76.472   13.026   69.394   10.702  239.342   21.232  228.833   18.205 10.50893 27.96819 
1 1 1   11   14   14 o  155.860   18.261   32.464   7.2328   34.283   11.535   31.286   9.2846  156.653   29.510  151.131   24.560 5.522675 38.39347 
1 1 1   11   14   15 o  110.966   27.617   17.322   7.9065   15.820   15.682   17.834   9.1553  112.246   41.180  112.248   30.633 -0.2517700E-02 51.32428 
1 1 1   11   14   16 o  240.869   13.818   76.342   8.5852   0.0000   0.0000   76.342   8.5852  ?   ?   240.869   13.818 0.000000 13.81789 
1 1 1   11   14   17 o  226.937   14.222   67.931   8.3182   0.0000   0.0000   67.931   8.3182  ?   ?   226.937   14.222 0.000000 14.22232 
1 1 1   11   14   18 o  174.995   15.018   40.636   6.7416   52.560   17.184   38.467   7.3292  189.607   36.310  169.683   16.900 19.92361 40.05013 
1 1 1   11   14   19 o  263.855   11.902   91.229   8.1346   89.600   18.401   91.625   9.0689  253.322   28.540  263.720   13.319 -10.39752 31.49457 
1 1 1   11   14   20 o  109.986   30.445   17.519   8.9686   0.0000   0.0000   17.519   8.9686  ?   ?   109.986   30.445 0.000000 30.44464 
1 1 1   11   14   21 o  170.677   15.670   38.924   6.8505   74.740   17.544   32.481   7.4412  228.793   30.352  154.660   18.972 74.13382 35.79372 
1 1 1   11   14   22 o   99.809   24.416   14.218   6.2605   31.870   15.350   10.697   6.8566  142.625   39.955   87.230   27.306 55.39484 48.39425 
1 1 1   11   14   23 o   73.421   25.103   7.1076   5.7390  -5.2970   13.257   9.9682   6.3664   70.766   32.348   84.123   26.308 -13.35700 41.69537 
1 1 1   11   14   24 o  343.924   15.429  157.866   13.745  158.700   20.626  157.200   18.436  337.415   23.751  338.290   21.145 -0.8757324 31.79915 
1 1 1   11   14   25 o  273.992   12.061   99.225   8.5597   85.920   18.285  102.959   9.6866  241.702   29.839  278.428   13.431 -36.72707 32.72233 
1 1 1   11   14   26 o  137.136   19.031   26.114   6.5780   13.310   13.958   29.769   7.4582   98.081   38.184  145.929   20.279 -47.84818 43.23507 
1 1 1   11   14   27 o  132.663   19.949   24.729   6.6430   9.9280   13.386   29.565   7.6517   90.434   36.671  144.666   21.036 -54.23192 42.27551 
1 1 1   11   14   28 o  137.511   18.755   26.412   6.5063   31.870   13.592   24.790   7.4104  137.937   37.193  131.063   22.647 6.873474 43.54550 
1 1 1   11   14   29 o   62.566   24.820   3.9450   5.9945  -8.0920   12.952   7.2265   6.7625   64.301   30.257   73.624   27.037 -9.322319 40.57707 
1 1 1   11   14   30 o   53.614   23.338   0.2690   6.0646   15.660   13.650  -3.5165   6.7695   98.676   37.941   49.569   22.826 49.10694 44.27862 
1 1 1   11   14   31 o  105.859   32.688   18.669   9.8641   0.0000   0.0000   18.669   9.8641  ?   ?   105.859   32.688 0.000000 32.68795 
1 1 1   11   14   32 o   96.505   27.363   14.801   7.1546   1.7630   16.396   17.867   7.9515   79.086   36.083  105.359   28.463 -26.27278 45.95776 
1 1 1   11   14   33 o   40.792   19.802  -9.1186   6.5626  -3.2940   13.661 -10.8660   7.4826   67.974   31.687   42.755   20.842 25.21878 37.92721 
1 1 1   11   14   34 o   89.785   27.919   13.331   7.1815   5.9040   14.773   15.630   8.2180   78.843   35.263   95.683   29.884 -16.83992 46.22281 
1 1 1   11   14   35 o   79.241   35.822   6.5580   15.709   6.5580   15.709   0.0000   0.0000   79.241   35.822  ?   ?  0.000000 35.82228 
1 1 1   11   14   36 o   38.756   19.228 -14.1812   7.3537   11.470   14.965 -22.3467   8.4434   83.344   36.459   37.368   18.833 45.97549 41.03581 
1 1 1   11   14   37 o   72.088   29.315   7.8367   8.5830 -17.5700   16.744   16.892   9.9962   59.909   29.594   93.199   33.047 -33.29011 44.36172 
1 1 1   11   14   38 o   88.636   30.791   14.950   8.6484   29.670   16.590   9.4563   10.134  105.392   41.454   75.262   31.352 30.13007 51.97484 
1 1 1   11   14   39 o  100.755   27.084   18.111   7.2207   26.907   10.254   9.4568   10.170  115.761   32.735   73.754   31.109 42.00695 45.15852 
1 1 1   11   15    0 o  404.513   10.756  212.742   11.271  210.334   16.383  214.905   15.529  401.336   15.759  405.876   14.771 -4.539917 21.59938 
1 1 1   11   15    1 o  373.203   10.944  181.112   10.580  162.675   15.165  198.597   14.768  352.785   16.595  390.195   14.611 -37.40985 22.11059 
1 1 1   11   15    2 o  546.042   10.421  387.583   14.739  382.428   21.302  392.318   20.414  541.284   15.193  548.463   14.369 -7.178650 20.91209 
1 1 1   11   15    3 f   77.288   27.097   7.0893   6.7048   9.2520   10.151   5.4157   8.9300   90.836   33.161   78.644   30.563 12.19128 45.09703 
1 1 1   11   15    4 o  160.877   17.395   34.260   7.1335   20.543   10.571   45.729   9.6661  121.575   32.808  185.463   20.461 -63.88786 38.66542 
1 1 1   11   15    5 o  177.162   16.302   41.380   7.3970   48.716   10.955   35.231   10.029  190.924   22.589  161.398   24.780 29.52615 33.53030 
1 1 1   11   15    6 o  262.180   12.737   89.574   8.6502   62.173   12.510  114.682   11.974  215.878   22.711  295.787   15.685 -79.90857 27.60118 
1 1 1   11   15    7 o  156.274   18.502   32.487   7.3443   24.782   10.912   38.868   9.9303  133.096   32.037  169.976   23.157 -36.87932 39.52936 
1 1 1   11   15    8 o  729.173   10.872  692.030   20.535  655.585   28.533  731.186   29.575  707.887   15.561  747.729   15.270 -39.84192 21.80177 
1 1 1   11   15    9 o  175.713   16.755   40.842   7.5337   25.754   11.344   52.748   10.077  135.243   32.733  199.143   19.797 -63.90051 38.25449 
1 1 1   11   15   10 o  215.567   14.505   61.058   8.0522   58.209   12.015   63.380   10.849  208.323   22.630  218.446   19.374 -10.12337 29.79061 
1 1 1   11   15   11 o  316.387   11.707  130.565   9.5945  118.480   14.299  140.462   12.940  299.263   18.537  327.355   15.260 -28.09155 24.01055 
1 1 1   11   15   12 o  210.088   15.053   58.172   8.1375   60.702   12.688   56.404   10.606  212.072   23.491  205.440   20.192 6.632202 30.97657 
1 1 1   11   15   13 f  285.946   12.557  106.910   9.3008   96.496   14.135  114.862   12.351  268.853   20.450  295.033   16.224 -26.17996 26.10420 
1 1 1   11   15   14 o  134.120   22.153   24.614   7.4274   13.294   12.160   31.351   9.3806  102.039   36.421  150.811   24.881 -48.77232 44.10784 
1 1 1   11   15   15 o  205.672   18.467   56.522   9.7335   36.660   19.001   63.588   11.333  154.979   44.800  217.551   20.348 -62.57248 49.20471 
1 1 1   11   15   16 o  246.027   13.258   79.662   8.4180   0.0000   0.0000   79.662   8.4180  ?   ?   246.027   13.258 0.000000 13.25808 
1 1 1   11   15   17 o   54.927   23.139   0.8152   5.6160   5.6520   15.945   0.1303   6.0004   93.663   39.198   54.982   23.567 38.68124 45.73652 
1 1 1   11   15   18 o  162.725   15.741   35.332   6.5519   34.950   15.370   35.416   7.2430  151.870   38.898  162.369   17.498 -10.49916 42.65263 
1 1 1   11   15   19 o   62.456   26.757   0.5392   7.7279   0.0000   0.0000   0.5392   7.7279  ?   ?    62.456   26.757 0.000000 26.75657 
1 1 1   11   15   20 o   61.663   24.254   3.3677   5.6788   15.850   13.921   0.8757   6.2199  107.143   38.876   57.280   24.253 49.86283 45.82071 
1 1 1   11   15   21 o   66.611   24.780   5.0239   5.7133   17.940   13.514   2.2133   6.3043  110.693   38.489   60.633   24.943 50.06062 45.86472 
1 1 1   11   15   22 o   71.829   25.649   6.4881   6.0316   30.610   14.473   1.4179   6.6353  139.210   38.725   59.773   25.165 79.43793 46.18299 
1 1 1   11   15   23 o   93.521   31.597   12.571   9.0909   18.090   15.642   9.7560   11.171  110.310   41.009   89.024   34.299 21.28597 53.46132 
1 1 1   11   15   24 o  220.837   13.420   65.012   7.6405   71.680   16.509   63.194   8.6191  220.556   29.648  216.719   15.455 3.836288 33.43479 
1 1 1   11   15   25 o  165.562   16.557   37.340   7.0053   20.210   15.132   42.012   7.9032  111.942   40.545  175.123   17.664 -63.18151 44.22561 
1 1 1   11   15   26 o   84.327   26.074   10.450   6.2738   14.980   15.113   9.5071   6.8961  100.923   39.608   81.423   27.519 19.49998 48.22945 
1 1 1   11   15   27 f   95.498   26.167   13.744   6.6647   13.290   14.513   13.865   7.5026   96.545   38.518   95.249   28.324 1.295723 47.81095 
1 1 1   11   15   28 o  135.809   19.787   26.104   6.7562   16.650   14.546   28.705   7.6290  101.762   39.157  141.493   21.491 -39.73054 44.66745 
1 1 1   11   15   29 o   82.713   26.646   10.287   6.4899   28.950   13.945   5.1268   7.3324  127.536   38.772   68.607   27.377 58.92865 47.46292 
1 1 1   11   15   30 o   57.303   26.246  -2.9715   8.7852   0.0000   0.0000  -2.9715   8.7852  ?   ?    57.303   26.246 0.000000 26.24565 
1 1 1   11   15   31 o   72.633   27.062   7.3439   6.8195   9.7020   15.216   6.7512   7.6286   87.254   37.467   72.207   28.196 15.04762 46.89117 
1 1 1   11   15   32 o   69.059   26.984   6.1877   6.9906   8.6680   14.319   5.4115   8.0101   83.443   36.090   68.997   28.218 14.44656 45.81218 
1 1 1   11   15   33 o   76.173   27.728   8.9656   7.0897   16.860   15.042   6.7110   8.0385   94.527   38.666   71.239   28.581 23.28722 48.08251 
1 1 1   11   15   34 o   53.420   25.695  -9.0215   10.439   0.5993   14.142 -20.5400   15.474   70.835   32.751   57.275   28.323 13.55971 43.29928 
1 1 1   11   15   35 o   64.727   31.385  -9.8040   16.360  -9.8040   16.360   0.0000   0.0000   64.727   31.385  ?   ?  0.000000 31.38459 
1 1 1   11   15   36 o  126.366   28.351   27.441   9.0519   11.000   16.090   35.054   10.949   81.746   36.665  139.951   31.017 -58.20490 48.02457 
1 1 1   11   15   37 o  145.002   25.161   34.499   9.1077   53.500   16.789   26.574   10.842  153.370   41.327  115.104   34.005 38.26604 53.51920 
1 1 1   11   15   38 o   93.209   29.739   16.585   8.0988   23.070   16.506   14.529   9.2945   92.559   39.364   85.188   31.622 7.371582 50.49249 
1 1 1   11   15   39 o   51.089   23.827  -1.8199   7.7384  -6.3180   17.424  -0.7147   8.6368   63.526   31.145   54.718   25.403 8.807384 40.19110 
1 1 1   11   16    0 o  436.936   10.897  248.421   12.333  242.896   17.781  253.544   17.122  430.907   15.930  440.497   15.006 -9.589355 21.88473 
1 1 1   11   16    1 o  532.680   10.526  369.116   14.524  328.591   20.156  412.888   20.948  501.299   15.522  562.312   14.382 -61.01294 21.16089 
1 1 1   11   16    2 o  554.132   10.490  399.457   15.057  411.702   21.948  388.569   20.696  561.233   15.097  545.383   14.650 15.85010 21.03683 
1 1 1   11   16    3 o  459.720   10.688  275.004   12.727  260.632   18.169  288.853   17.835  446.337   15.715  470.191   14.643 -23.85397 21.47985 
1 1 1   11   16    4 o   95.327   26.975   12.462   6.9602   12.566   10.581   12.382   9.2410   99.456   34.086   97.146   31.832 2.310768 46.63793 
1 1 1   11   16    5 o  624.759   10.648  508.025   17.233  513.890   24.870  502.609   23.900  626.709   15.320  619.969   14.883 6.740295 21.35867 
1 1 1   11   16    6 o  414.751   15.023  225.079   16.140   0.0000   0.0000  225.079   16.140  ?   ?   414.751   15.023 0.000000 15.02326 
1 1 1   11   16    7 o  469.976   10.654  287.624   12.970  281.759   18.674  293.091   18.027  463.746   15.546  473.265   14.705 -9.518677 21.39859 
1 1 1   11   16    8 o  665.624   10.760  577.183   18.552  570.827   26.329  583.452   26.146  659.937   15.402  667.336   15.125 -7.398743 21.58691 
1 1 1   11   16    9 o  363.677   11.346  172.484   10.688  160.253   15.477  183.635   14.779  349.017   17.120  374.214   15.246 -25.19733 22.92448 
1 1 1   11   16   10 o  268.849   12.627   94.471   8.7936   95.753   13.190   93.445   11.798  268.472   19.091  265.821   17.227 2.651215 25.71479 
1 1 1   11   16   11 o   94.375   27.512   12.344   7.1386   9.1575   11.151   14.557   9.2923   91.289   34.484  102.524   31.738 -11.23562 46.86607 
1 1 1   11   16   12 o   67.159   27.176   3.0431   7.3350   5.7408   11.590   1.2408   9.4736   85.006   34.244   70.506   29.897 14.50049 45.45810 
1 1 1   11   16   13 o  366.272   11.855  175.474   11.247  159.479   16.799  188.468   15.142  346.142   18.807  378.296   15.452 -32.15417 24.34039 
1 1 1   11   16   14 o  116.291   29.139   19.325   8.7596   17.490   19.276   19.802   9.8336  118.007   45.155  117.224   31.647 0.7829514 55.14062 
1 1 1   11   16   15 o  155.089   23.304   33.128   9.0723   2.7770   19.347   41.682   10.272   96.706   41.888  174.280   23.339 -77.57439 47.95135 
1 1 1   11   16   16 o  129.146   22.708   23.124   7.3190   6.2568   11.838   33.562   9.3122   85.584   34.561  155.719   23.846 -70.13511 41.98943 
1 1 1   11   16   17 o  155.961   17.906   32.801   7.1024   18.420   18.584   35.261   7.6859  117.126   44.451  161.480   18.722 -44.35429 48.23330 
1 1 1   11   16   18 o   94.691   31.107   12.533   8.8227   0.0000   0.0000   12.533   8.8227  ?   ?    94.691   31.107 0.000000 31.10655 
1 1 1   11   16   19 f  114.165   22.130   18.261   6.3081   28.410   15.098   16.114   6.9431  134.923   40.193  106.023   25.577 28.90018 47.64108 
1 1 1   11   16   20 f   61.610   23.927   3.6614   5.4704   17.040   13.582   1.0709   5.9766  108.425   38.514   56.549   23.849 51.87630 45.30000 
1 1 1   11   16   21 o   77.859   29.190   7.2612   7.9581   8.0590   14.423   6.9120   9.5420   91.672   37.722   80.246   31.479 11.42625 49.13097 
1 1 1   11   16   22 o  112.397   25.267   18.350   7.1776   11.570   16.018   20.054   8.0287   98.869   40.106  116.804   27.066 -17.93484 48.38432 
1 1 1   11   16   23 o   75.261   25.452   7.7752   5.8990 -12.1400   13.734   12.281   6.5323   64.086   30.451   91.434   26.221 -27.34724 40.18502 
1 1 1   11   16   24 o  219.678   14.054   64.718   7.9555   55.520   17.845   66.999   8.8876  184.309   38.614  222.714   15.502 -38.40550 41.61000 
1 1 1   11   16   25 o   78.602   25.944   8.8611   6.1346   32.930   14.545   3.6533   6.7658  139.291   38.848   64.356   26.079 74.93480 46.78983 
1 1 1   11   16   26 o   83.730   26.420   10.408   6.4055   8.7250   14.962   10.786   7.0879   89.365   37.715   85.123   27.877 4.241768 46.89938 
1 1 1   11   16   27 o   75.925   26.342   8.2013   6.3283   17.170   15.381   6.3738   6.9432  102.654   40.050   71.322   27.146 31.33178 48.38327 
1 1 1   11   16   28 o  131.583   21.219   24.995   6.9863   87.280   18.033   13.995   7.5782  237.076   30.039   94.550   28.546 142.5262 41.43895 
1 1 1   11   16   29 o  162.835   19.756   37.787   8.1622   0.0000   0.0000   37.787   8.1622  ?   ?   162.835   19.756 0.000000 19.75574 
1 1 1   11   16   30 o   42.848   20.824 -10.3421   7.3142 -37.1000   14.970  -1.9520   8.3829   49.876   25.129   57.030   25.935 -7.153889 36.11172 
1 1 1   11   16   31 o   60.605   25.052   3.3578   6.4000   0.2539   14.666   4.0880   7.1130   73.519   33.760   64.094   26.446 9.424988 42.88496 
1 1 1   11   16   32 o  105.226   26.287   17.858   7.1442   24.220   15.180   16.048   8.0970  107.345   40.301   97.155   29.546 10.19086 49.97120 
1 1 1   11   16   33 o   74.645   31.759   7.1322   10.753   7.4110   15.059   6.8420   15.361   79.520   35.582   79.127   35.629 0.3925018 50.35350 
1 1 1   11   16   34 o   53.351   25.603  -7.8989   10.231  -0.8668   14.464 -14.9400   14.474   68.743   32.228   57.816   28.354 10.92657 42.92485 
1 1 1   11   16   35 o   51.961   23.826  -1.4849   7.2679 -29.3200   15.644   6.1768   8.2075   52.144   26.194   68.024   28.265 -15.87981 38.53602 
1 1 1   11   16   36 o   86.076   31.188   14.130   8.9549   21.350   16.179   10.942   10.752   93.112   39.253   78.304   32.428 14.80805 50.91580 
1 1 1   11   16   37 o   76.641   30.110   10.784   8.7422   32.950   16.165   1.6221   10.393  109.179   41.453   62.238   28.521 46.94076 50.31664 
1 1 1   11   16   38 o   69.321   29.017   8.0500   8.7414  -3.6340   15.983   13.037   10.441   63.801   30.955   79.109   32.270 -15.30750 44.71692 
1 1 1   11   17    0 o  234.178   14.544   72.013   8.7787   61.868   12.864   80.855   12.010  214.547   23.534  247.061   18.910 -32.51399 30.19004 
1 1 1   11   17    1 o  317.570   12.263  131.568   10.088  122.921   14.782  139.106   13.801  304.923   18.807  325.208   16.437 -20.28506 24.97698 
1 1 1   11   17    2 o  519.976   10.783  352.172   14.524  336.734   20.546  367.593   20.535  506.865   15.649  529.851   14.962 -22.98547 21.65041 
1 1 1   11   17    3 o  399.802   11.214  208.322   11.613  196.754   16.821  218.861   16.054  387.046   16.778  408.731   15.163 -21.68546 22.61443 
1 1 1   11   17    4 o  286.489   12.786  107.196   9.4882  123.722   14.290   94.164   12.689  305.993   18.109  266.699   18.482 39.29428 25.87520 
1 1 1   11   17    5 o  396.019   11.356  204.515   11.649  201.136   17.199  207.378   15.834  391.090   16.978  397.655   15.372 -6.564758 22.90339 
1 1 1   11   17    6 o  401.356   11.191  210.081   11.634  183.919   16.567  235.535   16.342  373.815   17.110  423.854   14.884 -50.03891 22.67783 
1 1 1   11   17    7 o  351.856   11.610  161.600   10.582  162.644   15.521  160.694   14.465  351.413   17.051  349.657   15.971 1.755676 23.36243 
1 1 1   11   17    8 o  341.067   11.988  151.984   10.591  147.863   15.675  155.445   14.367  334.063   18.183  343.717   16.137 -9.653900 24.31066 
1 1 1   11   17    9 o  328.435   12.009  141.009   10.217  131.364   14.897  149.575   14.039  314.567   18.362  337.031   16.081 -22.46426 24.40849 
1 1 1   11   17   10 o   94.025   28.198   12.270   7.4126   12.588   11.136   12.016   9.9328   98.815   34.897   95.771   33.014 3.043167 48.03930 
1 1 1   11   17   11 o  122.398   25.068   20.945   7.6802   24.598   11.623   18.113   10.233  130.051   34.088  112.473   32.982 17.57806 47.43181 
1 1 1   11   17   12 f  285.665   13.423  107.159   9.9326   90.762   14.804  120.582   13.395  258.963   22.287  301.236   17.238 -42.27252 28.17559 
1 1 1   11   17   13 o   68.136   28.387   2.2111   8.3103   13.860   19.211  -0.4705   9.2173  111.478   44.366   66.117   28.775 45.36134 52.88104 
1 1 1   11   17   14 o  418.375   13.157  230.088   14.259  236.400   28.152  227.910   16.537  414.289   26.370  415.276   15.373 -0.9865417 30.52421 
1 1 1   11   17   15 o  104.362   28.250   15.646   7.8236   26.240   12.788   9.3080   9.8906  132.277   36.247   87.823   32.617 44.45463 48.76202 
1 1 1   11   17   16 o  148.827   24.979   31.076   9.2883   36.090   20.012   29.699   10.486  149.464   46.626  143.524   29.200 5.940247 55.01455 
1 1 1   11   17   17 o   68.506   31.314  -5.5866   12.422 -21.2800   19.667   4.8290   16.023   73.949   35.490   91.096   38.763 -17.14767 52.55628 
1 1 1   11   17   18 o  172.394   15.781   39.845   6.9687   67.210   18.515   35.328   7.5219  212.344   34.873  161.289   18.330 51.05493 39.39638 
1 1 1   11   17   19 o   48.044   22.548  -6.4049   7.1125  -2.5380   14.652  -7.5970   8.1353   77.541   34.867   50.810   23.930 26.73150 42.28891 
1 1 1   11   17   20 o  267.132   17.876   96.582   12.298   83.050   20.948  103.700   15.192  233.376   35.794  274.203   21.563 -40.82790 41.78739 
1 1 1   11   17   21 o  180.506   15.825   43.973   7.3247   56.400   17.340   41.274   8.0812  189.857   36.586  173.704   18.232 16.15265 40.87688 
1 1 1   11   17   22 o   85.631   25.200   10.688   5.9641   35.790   14.649   5.7006   6.5297  148.023   38.010   69.696   26.373 78.32648 46.26326 
1 1 1   11   17   23 o  136.317   19.477   25.987   6.6818   17.970   14.615   28.106   7.5130  106.572   39.635  140.917   21.242 -34.34524 44.96883 
1 1 1   11   17   24 o   92.221   26.189   12.770   6.5484   21.530   15.718   10.930   7.2033  112.466   41.233   85.844   28.103 26.62194 49.89906 
1 1 1   11   17   25 o  153.749   18.088   32.893   7.0658   50.820   15.625   28.285   7.9221  176.405   35.425  139.775   22.656 36.62984 42.05021 
1 1 1   11   17   26 o  100.337   29.090   15.819   8.0007   39.510   14.935   6.2834   9.4750  151.046   38.158   75.680   30.791 75.36568 49.03215 
1 1 1   11   17   27 o  185.088   15.632   47.004   7.4245  143.500   19.174   29.982   8.0527  313.524   23.787  143.350   22.421 170.1735 32.68822 
1 1 1   11   17   28 o  109.973   23.757   18.220   6.5696   22.610   15.788   17.301   7.2248  109.531   41.105  105.377   26.496 4.154114 48.90430 
1 1 1   11   17   29 o  181.595   22.876   48.793   10.522   0.0000   0.0000   48.793   10.522  ?   ?   181.595   22.876 0.000000 22.87558 
1 1 1   11   17   30 o  154.728   19.135   34.483   7.5056   25.520   16.243   36.917   8.4633  110.664   41.660  158.461   21.147 -47.79634 46.71994 
1 1 1   11   17   31 o  126.584   23.694   24.710   7.4836   3.4940   15.472   31.190   8.5505   76.720   35.021  142.182   24.076 -65.46220 42.49872 
1 1 1   11   17   32 o   81.308   30.576   11.097   8.7445   50.510   15.442  -7.5071   10.609  161.798   37.567   55.168   26.367 106.6295 45.89640 
1 1 1   11   17   33 o  104.885   40.576   25.960   15.685   25.960   15.685   0.0000   0.0000  104.885   40.576  ?   ?  0.000000 40.57630 
1 1 1   11   17   34 o   65.204   26.859   5.5237   7.3216   14.950   15.500   2.8162   8.3068   85.961   37.363   61.574   27.044 24.38696 46.12340 
1 1 1   11   17   35 o  134.468   23.274   28.934   7.8132   18.210   16.038   32.272   8.9468   88.497   38.235  139.267   25.749 -50.77005 46.09731 
1 1 1   11   17   36 o   46.268   22.587  -9.9944   8.8764   6.1680   15.445 -17.9659   10.847   72.850   33.871   46.009   22.913 26.84116 40.89324 
1 1 1   11   17   37 o   52.644   24.720  -2.3234   8.5682   16.170   16.244  -9.4514   10.085   81.400   36.647   49.366   24.094 32.03408 43.85783 
1 1 1   11   17   38 o   61.401   27.160   4.5717   8.5196   10.950   16.250   2.1537   10.005   73.460   34.350   59.898   27.643 13.56217 44.09116 
1 1 1   11   18    0 o  405.179   11.680  214.343   12.258  221.222   17.963  208.347   16.770  409.828   16.921  397.975   16.267 11.85297 23.47233 
1 1 1   11   18    1 o  349.508   12.143  159.600   10.994  148.877   15.976  169.246   15.152  335.172   18.472  358.661   16.309 -23.48868 24.64198 
1 1 1   11   18    2 o  217.465   15.999   62.515   8.9489   58.772   13.029   65.857   12.313  207.943   24.670  221.384   21.752 -13.44075 32.89034 
1 1 1   11   18    3 o  185.410   17.847   45.788   8.4653   51.657   12.843   41.278   11.257  194.127   26.210  173.335   25.863 20.79161 36.82218 
1 1 1   11   18    4 o  393.230   11.643  201.984   11.860  186.217   17.173  216.360   16.398  375.505   17.656  405.615   15.608 -30.10953 23.56527 
1 1 1   11   18    5 o  197.565   17.117   51.876   8.6729   35.642   13.115   64.491   11.562  157.834   33.135  219.261   20.599 -61.42700 39.01555 
1 1 1   11   18    6 o  406.543   11.464  215.956   12.072  213.303   17.718  218.255   16.494  401.919   17.018  407.165   15.639 -5.245667 23.11263 
1 1 1   11   18    7 o  229.939   15.133   69.863   8.9627   53.127   13.412   83.368   12.048  195.962   27.152  249.994   18.741 -54.03235 32.99215 
1 1 1   11   18    8 o  240.741   14.440   76.471   8.9630   65.292   13.505   85.272   11.983  218.693   24.248  252.839   18.423 -34.14568 30.45245 
1 1 1   11   18    9 o  159.965   20.680   34.735   8.3685   39.913   12.885   30.958   11.006  167.390   30.854  147.389   29.850 20.00179 42.93007 
1 1 1   11   18   10 o  205.744   16.711   56.405   8.8289   53.858   13.017   58.574   12.015  197.124   26.138  207.285   22.751 -10.16083 34.65270 
1 1 1   11   18   11 o  212.744   16.345   60.276   8.9386   55.515   13.364   64.130   12.024  199.749   26.482  217.288   21.651 -17.53908 34.20632 
1 1 1   11   18   12 o  219.667   18.584   64.831   10.475   53.960   20.597   68.624   12.166  186.081   43.510  224.881   21.133 -38.80042 48.37065 
1 1 1   11   18   13 o  366.409   13.927  177.029   13.218  154.500   25.732  185.105   15.407  330.385   30.409  373.657   15.918 -43.27209 34.32365 
1 1 1   11   18   14 o  115.708   30.709   19.610   9.3572   24.720   19.965   18.171   10.593  127.958   46.538  111.159   33.791 16.79927 57.51194 
1 1 1   11   18   15 o  118.339   37.774   21.113   13.066   28.120   20.833   16.570   16.775  133.339   47.662  110.883   42.196 22.45644 63.65733 
1 1 1   11   18   16 o   72.279   28.491   5.0103   7.8525   14.399   12.764  -0.7065   9.9603  102.231   37.206   67.347   29.595 34.88412 47.54115 
1 1 1   11   18   17 o   61.562   26.879  -0.3351   8.0992  -1.0580   16.832  -0.1174   9.2390   84.329   37.684   65.796   28.718 18.53347 47.37996 
1 1 1   11   18   18 o  149.842   26.794   32.404   10.018   29.200   16.568   34.250   12.577  133.429   42.532  150.276   33.196 -16.84753 53.95292 
1 1 1   11   18   19 o  201.647   14.923   54.524   7.7392   59.080   18.268   53.528   8.5438  193.786   37.749  198.919   16.737 -5.133377 41.29350 
1 1 1   11   18   20 f  152.949   18.455   32.204   7.1638   24.800   16.690   33.876   7.9316  121.838   42.750  156.097   20.082 -34.25864 47.23163 
1 1 1   11   18   21 o  204.570   15.065   56.443   7.9270   37.680   18.904   60.446   8.7317  144.337   45.365  211.156   16.085 -66.81877 48.13192 
1 1 1   11   18   22 f  155.755   17.395   33.409   6.8984   53.800   16.543   29.116   7.5897  182.396   36.291  143.347   21.069 39.04942 41.96373 
1 1 1   11   18   23 o  110.930   22.989   18.006   6.3887   9.6510   14.463   20.032   7.1211   90.118   37.489  116.364   24.405 -26.24623 44.73305 
1 1 1   11   18   24 o  159.402   16.685   35.048   6.7870   42.880   15.790   33.273   7.5168  157.139   38.981  153.730   19.302 3.409195 43.49820 
1 1 1   11   18   25 o  100.855   24.880   15.410   6.4596   15.400   14.783   15.413   7.1815   98.236   38.975   99.724   27.096 -1.488113 47.46841 
1 1 1   11   18   26 o   89.604   25.738   12.347   6.2894   1.2880   13.978   15.154   7.0425   75.602   34.020   98.598   26.850 -22.99665 43.33873 
1 1 1   11   18   27 o  202.697   14.588   56.184   7.6081   65.580   16.487   53.641   8.5758  199.499   33.061  196.168   17.047 3.330566 37.19733 
1 1 1   11   18   28 o  184.715   22.940   50.661   10.740   0.0000   0.0000   50.661   10.740  ?   ?   184.715   22.940 0.000000 22.94034 
1 1 1   11   18   29 o   76.863   27.245   9.0952   6.7937   17.290   15.862   7.2542   7.5182   96.310   39.586   72.308   28.059 24.00188 48.52169 
1 1 1   11   18   30 o   47.875   22.155  -3.0376   6.4920   0.4175   15.272  -3.7997   7.1723   72.978   33.845   49.271   22.966 23.70680 40.90119 
1 1 1   11   18   31 o   72.844   29.499   7.6231   8.6498  -1.4090   15.749   11.525   10.351   70.738   33.310   82.262   32.621 -11.52393 46.62226 
1 1 1   11   18   32 o   80.254   33.073   11.026   11.108   4.8860   15.600   17.340   15.820   75.268   34.657   90.404   38.495 -15.13614 51.79727 
1 1 1   11   18   33 o   58.318   25.244   2.6682   7.0177   8.9440   14.662   0.8034   7.9926   77.676   34.908   57.302   25.760 20.37369 43.38395 
1 1 1   11   18   34 o   63.245   26.472   5.0377   7.2748   4.2680   15.503   5.2551   8.2381   72.135   33.671   65.117   27.754 7.018684 43.63463 
1 1 1   11   18   35 o   98.053   28.472   17.778   7.6589   55.460   16.742   7.8048   8.6130  152.562   41.337   69.785   28.972 82.77631 50.47951 
1 1 1   11   18   36 o   73.892   28.379   10.128   7.6315   9.9930   16.113   10.168   8.6649   74.756   34.703   73.670   29.633 1.086433 45.63329 
1 1 1   11   18   37 o   67.919   29.100   8.0294   9.1432   5.4850   16.649   9.1281   10.941   68.977   32.984   70.296   30.951 -1.318855 45.23224 
1 1 1   11   19    0 o  112.660   28.948   18.077   8.4932  -0.0900   12.766   32.506   11.377   77.998   33.905  151.262   30.094 -73.26440 45.33460 
1 1 1   11   19    1 o   83.955   29.761   8.7739   8.1062   14.510   12.137   4.1553   10.891  104.309   36.464   79.870   32.812 24.43877 49.05364 
1 1 1   11   19    2 o  332.465   12.696  144.863   10.933  137.728   15.615  151.727   15.314  321.400   18.838  338.018   17.551 -16.61804 25.74691 
1 1 1   11   19    3 o   67.182   27.934   2.1250   8.0237  -4.5266   12.456   6.8429   10.490   70.927   31.996   84.173   33.010 -13.24522 45.97189 
1 1 1   11   19    4 o  334.931   12.825  147.121   11.127  122.169   16.197  169.419   15.312  301.487   20.869  357.953   16.514 -56.46603 26.61237 
1 1 1   11   19    5 o  303.699   13.609  121.199   10.706   91.081   15.693  147.416   14.642  258.592   23.692  333.187   17.022 -74.59467 29.17332 
1 1 1   11   19    6 o  366.153   12.352  175.789   11.715  162.049   17.608  186.700   15.692  347.826   19.624  375.732   16.123 -27.90567 25.39761 
1 1 1   11   19    7 o  486.892   11.292  310.325   14.242  308.861   20.991  311.573   19.386  482.653   16.790  485.654   15.411 -3.000793 22.79033 
1 1 1   11   19    8 o  311.319   12.883  127.344   10.389  127.328   15.905  127.357   13.720  307.597   20.072  309.172   17.200 -1.574768 26.43334 
1 1 1   11   19    9 f  253.297   14.532   84.948   9.4945   74.050   14.460   93.207   12.588  231.840   24.448  263.590   18.555 -31.75047 30.69170 
1 1 1   11   19   10 f  247.203   14.962   81.089   9.5358   72.243   14.733   87.467   12.509  228.229   25.350  254.897   19.085 -26.66782 31.73080 
1 1 1   11   19   11 o  404.228   13.459  215.380   14.093  222.500   26.732  212.640   16.584  400.874   25.882  400.212   15.998 0.6618347 30.42742 
1 1 1   11   19   12 o   84.544   34.538   5.9810   11.982   2.4930   16.959   9.4580   16.932   89.885   39.076   99.516   40.901 -9.630516 56.56710 
1 1 1   11   19   13 o  104.094   38.154   14.860   13.457   2.4120   19.803   25.540   18.344   94.857   41.706  127.875   44.820 -33.01810 61.22317 
1 1 1   11   19   14 o  341.630   13.896  154.443   12.297  132.400   22.095  164.334   14.800  305.351   28.255  351.012   16.278 -45.66083 32.60868 
1 1 1   11   19   15 o  221.945   20.695   67.534   11.760   65.750   20.491   68.410   14.361  204.577   40.102  220.227   25.656 -15.64973 47.60663 
1 1 1   11   19   16 o  202.797   19.357   56.220   10.045   54.257   13.848   58.400   14.592  193.558   28.471  200.591   28.919 -7.032562 40.58168 
1 1 1   11   19   17 o  119.697   26.099   20.903   7.8638   19.595   11.777   21.955   10.564  112.368   35.863  119.458   33.032 -7.089874 48.75660 
1 1 1   11   19   18 o   99.382   27.591   14.688   7.3548   12.259   10.766   16.813   10.071   93.333   34.139  104.751   33.136 -11.41806 47.57534 
1 1 1   11   19   19 o   69.702   26.396   5.7328   6.5440   11.650   14.622   4.2508   7.3177   95.556   38.474   67.719   27.234 27.83711 47.13721 
1 1 1   11   19   20 o  167.780   17.233   38.640   7.3832   26.050   16.763   41.670   8.2239  121.837   42.837  173.516   18.586 -51.67915 46.69574 
1 1 1   11   19   21 o  112.689   24.366   18.778   6.9053   22.830   17.777   18.058   7.4937  114.177   43.441  109.209   26.711 4.968567 50.99622 
1 1 1   11   19   22 o   38.088   18.557  -9.4945   5.9094  -3.6360   14.758 -10.6131   6.4489   72.915   33.623   39.399   19.237 33.51593 38.73743 
1 1 1   11   19   23 o   71.474   25.918   6.9515   6.1858  -6.4930   13.938   10.249   6.9028   67.691   31.703   82.620   27.533 -14.92909 41.98955 
1 1 1   11   19   24 o   77.210   25.949   8.8089   6.1310  -5.5120   14.725   11.812   6.7434   69.914   32.694   87.476   27.029 -17.56176 42.42021 
1 1 1   11   19   25 o   86.135   26.061   11.464   6.3111   18.670   14.518   9.7844   7.0079  102.431   39.190   80.429   27.730 22.00202 48.00838 
1 1 1   11   19   26 o  148.414   18.365   31.278   6.9093   5.3290   15.073   38.181   7.7742   81.042   35.973  163.922   18.641 -82.88005 40.51541 
1 1 1   11   19   27 o   55.684   25.491  -2.3478   8.2736   0.0000   0.0000  -2.3478   8.2736  ?   ?    55.684   25.491 0.000000 25.49133 
1 1 1   11   19   28 o   58.754   25.822   1.0966   7.5840  -6.1590   15.396   3.4213   8.7146   67.928   32.267   65.821   28.312 2.107101 42.92642 
1 1 1   11   19   29 o   84.008   27.178   11.638   6.7465   14.910   14.561   10.743   7.6129   90.013   37.545   80.799   28.820 9.213776 47.33108 
1 1 1   11   19   30 o   57.902   25.892   0.6615   7.9606  -9.6260   14.608   5.0066   9.4940   61.868   29.916   68.522   29.512 -6.654140 42.02256 
1 1 1   11   19   31 o   69.962   30.312   5.8465   10.136   16.660   15.197  -2.8190   13.604   88.901   37.788   64.747   30.631 24.15411 48.64402 
1 1 1   11   19   32 o   99.347   28.114   17.565   7.5602   21.730   17.065   16.548   8.4329   93.047   39.809   93.793   30.390 -0.7466507 50.08299 
1 1 1   11   19   33 f  149.243   21.654   34.943   8.1268   33.200   17.093   35.452   9.2377  108.052   42.202  145.860   25.371 -37.80797 49.24152 
1 1 1   11   19   34 o  111.645   27.893   22.528   8.0433   59.320   17.064   12.018   9.1200  157.843   41.269   78.639   30.796 79.20400 51.49305 
1 1 1   11   19   35 f   95.386   29.477   17.899   8.0198   14.710   16.881   18.828   9.1140   78.958   36.244   94.575   31.638 -15.61655 48.11038 
1 1 1   11   19   36 o   60.343   26.114   4.7870   7.5055   6.9830   15.979   4.1654   8.5017   69.582   33.000   60.505   26.929 9.076733 42.59269 
1 1 1   11   20    0 o  171.137   33.905   42.854   14.498   95.380   21.874   1.6940   19.363  257.338   33.618   94.797   41.470 162.5416 53.38511 
1 1 1   11   20    1 o  197.753   29.330   55.383   14.568   46.670   20.853   63.690   20.362  171.183   46.030  205.571   39.676 -34.38808 60.76936 
1 1 1   11   20    2 o  176.341   32.857   45.188   14.456   34.430   21.056   54.780   19.883  146.924   48.045  188.734   41.775 -41.81023 63.66652 
1 1 1   11   20    3 o  388.871   14.286  199.476   14.391  178.900   26.375  208.197   17.172  357.645   28.713  395.941   16.743 -38.29623 33.23773 
1 1 1   11   20    4 o  221.299   19.675   66.148   11.161   57.520   22.461   68.977   12.861  189.806   46.135  224.680   22.397 -34.87390 51.28371 
1 1 1   11   20    5 f  316.393   15.635  132.633   12.814  137.900   25.199  130.796   14.882  310.737   31.753  312.315   18.478 -1.578033 36.73808 
1 1 1   11   20    6 o  200.196   20.272   54.442   10.367   33.750   21.581   60.649   11.821  144.408   48.684  210.560   21.998 -66.15239 53.42286 
1 1 1   11   20    7 o  226.374   18.474   69.016   10.739  106.800   21.950   57.128   12.313  272.672   31.667  203.235   23.841 69.43707 39.63861 
1 1 1   11   20    8 o  208.066   27.540   61.169   14.478   75.050   21.655   49.950   19.469  222.198   39.049  177.609   42.818 44.58897 57.95021 
1 1 1   11   20    9 o  213.100   26.157   63.748   14.135   77.390   20.882   52.210   19.204  227.187   36.738  182.236   41.598 44.95085 55.49836 
1 1 1   11   20   10 o  130.079   37.004   26.022   13.062   0.9894   18.530   50.750   18.417   90.729   40.097  179.995   40.482 -89.26582 56.97848 
1 1 1   11   20   11 o  194.064   21.426   51.818   10.591   27.020   18.726   63.480   12.842  129.941   45.299  213.729   23.590 -83.78745 51.07351 
1 1 1   11   20   12 o  102.618   33.093   15.496   10.009   7.5530   16.909   19.780   12.418   95.406   40.169  113.987   36.872 -18.58102 54.52653 
1 1 1   11   20   13 o  241.754   20.425   80.075   12.670   64.230   19.982   90.730   16.386  201.980   39.609  253.885   25.251 -51.90541 46.97290 
1 1 1   11   20   14 o  225.028   15.840   68.034   9.1738   81.824   14.453   58.727   11.872  241.993   23.346  205.131   22.725 36.86169 32.58040 
1 1 1   11   20   15 o   83.542   28.866   9.6674   7.5958   13.190   11.904   7.2482   9.8650   96.916   35.825   80.995   31.932 15.92094 47.99042 
1 1 1   11   20   16 o  110.790   27.794   18.333   7.9627   13.200   12.377   21.957   10.401   96.804   36.381  118.899   32.735 -22.09500 48.94038 
1 1 1   11   20   17 o  236.018   14.825   74.921   9.0172   81.885   13.925   69.891   11.833  241.100   22.559  224.113   20.615 16.98764 30.55964 
1 1 1   11   20   18 o   62.858   26.109   2.7031   6.9991  -7.6502   10.734   10.361   9.2316   58.981   27.687   86.018   31.590 -27.03702 42.00561 
1 1 1   11   20   19 o  134.459   20.443   25.633   6.8957   18.520   16.000   27.256   7.6419  106.518   41.046  137.724   22.174 -31.20521 46.65197 
1 1 1   11   20   20 o  139.692   20.304   27.731   7.1318   49.700   16.023   22.304   7.9641  172.381   36.992  121.634   26.062 50.74714 45.25038 
1 1 1   11   20   21 o  179.648   16.369   44.439   7.5337   56.910   17.408   41.565   8.3568  182.306   38.091  171.899   19.090 10.40710 42.60720 
1 1 1   11   20   22 o  168.757   16.942   39.544   7.3057   36.630   16.536   40.251   8.1436  138.564   42.242  168.890   18.941 -30.32614 46.29391 
1 1 1   11   20   23 o   55.930   23.680   1.7176   5.9287  -2.1820   13.958   2.5759   6.5488   71.206   32.786   59.901   25.098 11.30433 41.28930 
1 1 1   11   20   24 o   63.219   25.692   4.0256   6.5868   5.6240   15.670   3.6826   7.2593   82.374   36.616   64.093   26.603 18.28073 45.25939 
1 1 1   11   20   25 o   74.180   26.279   8.1642   6.3194   12.380   14.221   7.1270   7.0542   89.410   37.183   71.884   27.361 17.52674 46.16540 
1 1 1   11   20   26 o   88.148   29.402   12.837   7.8710   0.0000   0.0000   12.837   7.8710  ?   ?    88.148   29.402 0.000000 29.40157 
1 1 1   11   20   27 o   71.948   28.300   7.2569   7.7317 -21.9900   15.350   17.199   8.9499   56.721   28.077   98.991   31.228 -42.26927 41.99453 
1 1 1   11   20   28 o   84.133   26.616   11.707   6.4979   1.1020   14.826   14.228   7.2291   72.056   33.393   91.590   27.932 -19.53426 43.53480 
1 1 1   11   20   29 o  107.392   33.352   22.146   10.252   33.810   15.864   13.780   13.435  119.322   41.688   85.643   35.919 33.67903 55.02833 
1 1 1   11   20   30 o   47.950   22.887  -6.0472   7.9377   4.4680   14.990 -10.1451   9.3575   73.133   33.780   48.268   23.480 24.86460 41.13911 
1 1 1   11   20   31 o   80.378   27.899   11.539   7.0990   7.0890   15.641   12.694   7.9668   75.008   34.597   82.815   29.488 -7.806755 45.45885 
1 1 1   11   20   32 o   63.793   26.390   5.6523   7.1091  -6.3120   15.861   8.6602   7.9527   63.112   30.671   71.455   28.512 -8.342930 41.87598 
1 1 1   11   20   33 o   62.359   26.294   5.2028   7.2623   18.020   15.660   1.6911   8.1970   84.399   37.099   57.526   25.953 26.87330 45.27546 
1 1 1   11   20   34 o   52.019   23.885  -0.2136   7.3382 -14.7600   16.520   3.3621   8.1906   57.277   28.484   59.457   26.449 -2.180748 38.87013 
1 1 1   11   20   35 o   39.917   19.686 -10.3578   7.3026 -34.4700   15.555  -3.5405   8.2708   46.966   23.875   49.348   23.501 -2.382652 33.50079 
1 1 1   11   20   36 o   38.077   18.993 -13.3491   7.5791   1.6120   16.464 -17.3723   8.5376   63.423   30.917   38.397   19.297 25.02589 36.44453 
1 1 1   11   21    0 o  127.418   30.457   23.875   9.9160   20.520   18.688   25.189   11.699  119.124   44.717  129.283   34.349 -10.15856 56.38723 
1 1 1   11   21    1 o  162.115   24.428   36.813   9.9396   25.250   18.546   41.473   11.773  127.543   45.037  170.582   27.586 -43.03896 52.81384 
1 1 1   11   21    2 o  189.384   22.059   49.391   10.618   40.790   18.625   53.532   12.924  158.903   43.828  194.947   26.263 -36.04465 51.09396 
1 1 1   11   21    3 o   90.403   32.281   10.846   9.5538 -12.4800   17.366   20.969   11.441   74.857   35.164  118.000   34.951 -43.14289 49.57861 
1 1 1   11   21    4 o   60.183   27.395  -4.2231   9.3824 -16.2400   17.685   0.4840   11.069   72.527   34.490   72.605   31.566 -0.7746124E-01 46.75397 
1 1 1   11   21    5 o   96.316   32.155   13.167   9.4136   25.450   16.229   6.9393   11.556  127.313   42.207   85.036   34.215 42.27733 54.33344 
1 1 1   11   21    6 f  105.334   35.044   16.256   11.184   36.840   17.703   2.5810   14.429  150.626   43.156   83.985   36.276 66.64030 56.37785 
1 1 1   11   21    7 o  109.936   33.385   18.078   10.343   0.4593   15.940   30.890   13.593   84.349   37.238  141.226   36.791 -56.87730 52.34717 
1 1 1   11   21    8 o   96.931   35.863   12.620   11.935   0.0000   0.0000   12.620   11.935  ?   ?    96.931   35.863 0.000000 35.86337 
1 1 1   11   21    9 o  145.557   30.475   31.391   11.122   20.940   20.601   35.690   13.213  118.940   46.366  153.128   34.177 -34.18799 57.60055 
1 1 1   11   21   10 o   61.579   27.288  -1.2949   8.6388  -4.4507   11.982   2.1210   12.466   67.747   30.885   78.053   33.717 -10.30653 45.72377 
1 1 1   11   21   11 o  150.971   22.008   31.919   8.3534   38.131   13.333   27.904   10.718  158.080   33.596  136.166   31.073 21.91417 45.76263 
1 1 1   11   21   12 o  228.928   15.715   70.485   9.2625   81.987   14.429   62.422   12.080  241.809   23.325  211.397   22.403 30.41270 32.34084 
1 1 1   11   21   13 o  253.753   14.600   86.234   9.5558   68.721   14.300  100.365   12.845  219.023   25.693  271.256   18.390 -52.23274 31.59602 
1 1 1   11   21   14 o  148.965   22.800   31.558   8.5176   18.955   13.156   40.653   11.176  109.384   37.979  166.810   26.771 -57.42538 46.46577 
1 1 1   11   21   15 o  159.794   20.339   35.741   8.2276   37.725   13.261   34.498   10.491  154.609   34.035  152.432   27.585 2.176361 43.81018 
1 1 1   11   21   16 o  200.488   16.139   54.723   8.3103   43.568   12.362   63.921   11.225  169.837   29.150  213.669   20.534 -43.83205 35.65635 
1 1 1   11   21   17 o  101.953   27.080   15.840   7.2723   24.362   11.117   9.4655   9.6148  122.229   33.918   83.627   31.917 38.60175 46.57373 
1 1 1   11   21   18 o  124.229   24.086   22.818   7.4709   4.9667   11.014   38.030   10.167   76.360   32.299  160.210   25.343 -83.85004 41.05531 
1 1 1   11   21   19 o   65.826   26.087   4.7107   6.6160  -0.6762   9.4503   9.8890   9.2655   62.994   28.187   83.209   31.433 -20.21517 42.22034 
1 1 1   11   21   20 o  130.595   21.260   24.751   6.9444   22.790   17.218   25.132   7.5890  110.100   42.536  130.230   23.355 -20.13009 48.52580 
1 1 1   11   21   21 o  139.420   19.844   27.901   6.9642   22.390   16.061   29.177   7.7285  108.697   41.307  141.238   21.829 -32.54118 46.71997 
1 1 1   11   21   22 o  123.693   22.985   22.875   7.0934   14.810   15.691   24.947   7.9525   94.930   39.233  127.861   24.907 -32.93137 46.47092 
1 1 1   11   21   23 o  155.481   17.994   34.296   7.1132   6.6170   15.940   41.178   7.9485   83.018   36.914  170.248   18.312 -87.22961 41.20675 
1 1 1   11   21   24 o  135.219   21.298   27.061   7.2130   23.080   15.808   28.108   8.1061  106.368   40.847  135.728   23.931 -29.35983 47.34053 
1 1 1   11   21   25 o   48.268   23.159  -8.2306   8.3623   0.0000   0.0000  -8.2306   8.3623  ?   ?    48.268   23.159 0.000000 23.15938 
1 1 1   11   21   26 o   74.290   28.841   8.3033   7.9459   17.000   15.511   5.2089   9.2522   93.070   38.779   69.311   29.474 23.75895 48.70879 
1 1 1   11   21   27 o   65.754   26.154   5.8085   6.6724  -2.9070   14.645   8.0917   7.4956   67.329   31.831   72.596   28.060 -5.267105 42.43287 
1 1 1   11   21   28 o   55.828   26.351  -4.2803   9.9628   11.980   14.562 -18.5900   13.660   82.257   35.975   53.339   26.418 28.91816 44.63277 
1 1 1   11   21   29 o   67.345   28.149   6.2327   8.2088   15.900   15.271   2.3045   9.7348   85.852   37.201   62.910   28.341 22.94256 46.76714 
1 1 1   11   21   30 o   74.552   27.946   9.7721   7.2935   14.830   15.855   8.4145   8.2142   82.640   36.777   71.260   28.785 11.37965 46.70293 
1 1 1   11   21   31 o  104.140   27.310   19.549   7.4579   36.810   16.733   15.270   8.3311  112.104   42.267   87.870   30.239 24.23431 51.96997 
1 1 1   11   21   32 o   72.551   27.571   9.5978   7.1555   28.280   16.221   5.0841   7.9732   96.713   39.923   62.608   27.005 34.10476 48.19875 
1 1 1   11   21   33 o   67.583   27.125   8.0365   7.2435   19.560   16.675   5.3563   8.0418   82.320   37.089   62.378   27.013 19.94204 45.88315 
1 1 1   11   21   34 o  141.297   23.040   33.865   8.1421   39.260   17.967   32.471   9.1337  101.776   42.016  131.482   27.693 -29.70663 50.32113 
1 1 1   11   21   35 o   69.462   28.157   10.001   7.8889   3.7280   18.363   11.421   8.7361   65.085   31.922   71.916   29.448 -6.830841 43.43024 
1 1 1   11   22    0 o  216.265   18.024   63.378   10.005   68.902   14.594   58.480   13.742  220.468   26.060  202.388   26.879 18.07967 37.43747 
1 1 1   11   22    1 o  241.471   16.436   78.358   10.220   55.001   15.057   98.308   13.916  193.249   31.137  268.204   20.178 -74.95505 37.10385 
1 1 1   11   22    2 o  341.213   12.972  153.939   11.465  141.433   16.882  164.644   15.620  321.738   20.362  350.158   17.221 -28.41995 26.66820 
1 1 1   11   22    3 o  182.136   19.493   45.438   9.0538   35.108   13.048   55.031   12.574  151.698   34.041  197.244   25.184 -45.54597 42.34438 
1 1 1   11   22    4 o  326.243   13.399  140.988   11.323  116.144   16.359  163.836   15.688  290.063   21.935  349.065   17.351 -59.00256 27.96724 
1 1 1   11   22    5 o  268.055   14.575   95.868   10.082   98.379   14.687   93.630   13.864  267.119   21.407  261.094   20.668 6.024719 29.75593 
1 1 1   11   22    6 o  110.786   28.751   18.250   8.3222   25.366   13.241   13.603   10.700  126.376   37.638   97.277   34.223 29.09898 50.87112 
1 1 1   11   22    7 o  137.581   28.707   27.993   9.8998   16.470   19.316   32.098   11.529  109.770   44.211  145.884   31.437 -36.11407 54.24866 
1 1 1   11   22    8 o  165.067   24.264   38.765   10.065   72.200   20.335   27.916   11.584  213.997   38.080  134.380   33.418 79.61760 50.66404 
1 1 1   11   22    9 o  175.554   18.722   42.322   8.3822   41.976   13.210   42.555   10.845  166.537   31.782  172.370   25.021 -5.833008 40.44902 
1 1 1   11   22   10 o  134.887   24.521   26.266   8.2520   28.312   12.929   24.860   10.719  132.653   36.487  126.593   32.517 6.059814 48.87421 
1 1 1   11   22   11 o  114.913   26.904   19.659   7.8669   25.635   12.539   15.779   10.103  125.791   36.403  101.383   33.285 24.40758 49.32653 
1 1 1   11   22   12 o   54.279   24.647  -2.8555   7.5354  -9.3044   10.965   2.9149   10.373   58.131   27.501   72.742   31.076 -14.61117 41.49768 
1 1 1   11   22   13 o   99.241   28.335   14.999   7.6444   8.2236   11.822   19.868   10.022   84.818   34.437  111.942   32.587 -27.12393 47.41165 
1 1 1   11   22   14 o  268.013   13.930   96.561   9.6374   86.959   14.468  104.221   12.922  246.809   22.890  274.932   18.248 -28.12233 29.27399 
1 1 1   11   22   15 f  143.107   22.841   29.694   8.1821   29.897   12.882   29.556   10.593  133.133   36.339  137.220   30.584 -4.087021 47.49628 
1 1 1   11   22   16 o  226.399   15.513   69.942   9.0426   67.228   14.018   71.876   11.834  212.625   25.993  225.355   20.497 -12.72980 33.10232 
1 1 1   11   22   17 o  178.576   17.634   44.429   8.0502   22.349   11.663   64.523   11.126  113.940   35.603  213.034   20.412 -99.09440 41.03875 
1 1 1   11   22   18 o  145.602   20.981   30.648   7.6848   12.318   11.544   45.234   10.298   89.591   34.769  175.351   23.245 -85.75982 41.82329 
1 1 1   11   22   19 o  161.903   18.253   37.030   7.5214   31.989   11.517   40.779   9.9320  138.312   32.666  165.386   23.875 -27.07448 40.46150 
1 1 1   11   22   20 o  121.485   26.790   23.178   8.2036   30.380   16.218   20.702   9.5098  122.286   42.184  110.740   31.598 11.54563 52.70648 
1 1 1   11   22   21 o   46.696   21.542  -3.0364   6.0670 -21.1300   15.769   0.1072   6.5729   59.107   29.107   54.198   23.920 4.909126 37.67482 
1 1 1   11   22   22 o   83.413   27.010   11.113   6.6621   4.9230   13.928   12.949   7.5861   77.439   34.466   88.741   28.830 -11.30139 44.93398 
1 1 1   11   22   23 o  114.244   24.452   20.388   7.0175   12.770   15.549   22.337   7.8640   88.484   37.932  118.089   26.375 -29.60423 46.20002 
1 1 1   11   22   24 o   55.234   25.819  -4.0126   9.1696   0.0000   0.0000  -4.0126   9.1696  ?   ?    55.234   25.819 0.000000 25.81944 
1 1 1   11   22   25 o   95.629   26.728   15.292   6.8775   40.990   16.227   9.6656   7.5932  135.471   41.941   77.049   28.586 58.42106 50.75650 
1 1 1   11   22   26 o   69.120   28.169   6.7168   7.9464   8.9470   14.558   5.7702   9.4840   78.785   35.138   69.191   29.641 9.594719 45.97062 
1 1 1   11   22   27 o   40.680   20.121 -13.3296   7.8272 -14.5200   14.149 -12.8047   9.3958   56.292   27.692   46.086   22.650 10.20597 35.77497 
1 1 1   11   22   28 o   69.050   28.314   7.3646   8.0906   2.6060   15.048   9.2994   9.5954   69.723   32.746   73.936   30.628 -4.212814 44.83746 
1 1 1   11   22   29 o   73.553   27.723   9.6288   7.1969   2.4400   15.852   11.495   8.0774   69.152   32.817   78.076   29.381 -8.924919 44.04739 
1 1 1   11   22   30 o   49.507   23.075  -1.9997   7.2403 -22.3900   15.529   3.6639   8.1843   52.714   26.427   60.466   26.689 -7.752197 37.55905 
1 1 1   11   22   31 o   50.014   23.195  -1.2153   7.1733   18.870   16.529  -5.8761   7.9622   82.353   37.031   46.536   22.398 35.81653 43.27802 
1 1 1   11   22   32 o   98.398   27.620   18.604   7.3280   10.420   16.849   20.514   8.1380   72.295   34.168  100.981   29.357 -28.68507 45.04708 
1 1 1   11   22   33 o   50.691   23.258   0.3866   6.9407   25.110   16.393  -5.0137   7.6613   84.939   37.617   45.620   21.960 39.31877 43.55810 
1 1 1   11   22   34 o   76.060   28.723   12.858   7.7353 -11.9600   17.206   19.144   8.6598   55.837   27.967   90.500   30.837 -34.66293 41.63024 
1 1 1   11   23    0 f  195.589   19.551   52.730   9.7727   57.637   15.223   49.291   12.746  196.265   30.972  183.770   27.631 12.49486 41.50560 
1 1 1   11   23    1 o  134.597   26.909   26.615   9.0540   27.728   13.120   25.604   12.510  131.198   37.004  126.513   36.288 4.685265 51.82787 
1 1 1   11   23    2 o  187.290   18.979   48.237   9.0802   31.214   13.387   62.742   12.357  139.521   36.590  211.119   22.968 -71.59749 43.20113 
1 1 1   11   23    3 o  147.861   24.249   31.362   8.9654   41.441   13.470   23.344   12.013  164.384   32.783  121.002   35.808 43.38227 48.54867 
1 1 1   11   23    4 o  120.679   28.569   21.870   8.7920   1.3113   13.313   37.770   11.708   77.754   34.191  158.975   29.519 -81.22176 45.17080 
1 1 1   11   23    5 f   88.444   29.889   11.338   8.1346   7.9969   12.697   13.664   10.594   86.834   35.522   96.201   34.032 -9.366371 49.19328 
1 1 1   11   23    6 o   77.371   31.108   6.1839   9.5445   2.9590   18.731   7.3148   11.093   89.688   39.940   82.644   33.427 7.044136 52.08216 
1 1 1   11   23    7 o   61.111   27.169  -1.0702   8.6314   7.4540   17.896  -3.6542   9.8531   93.424   40.377   61.269   27.960 32.15593 49.11292 
1 1 1   11   23    8 o  145.316   22.937   30.249   8.3473   14.669   11.778   45.971   11.832   98.505   35.757  177.018   26.628 -78.51318 44.58249 
1 1 1   11   23    9 o  106.149   29.220   17.316   8.2881   9.3433   13.202   22.502   10.648   88.902   36.278  118.698   33.285 -29.79510 49.23443 
1 1 1   11   23   10 o  107.775   28.466   17.825   8.0652   9.9929   12.958   22.778   10.305   89.328   36.129  119.558   32.445 -30.22993 48.55941 
1 1 1   11   23   11 o  145.984   22.051   30.579   8.0786   9.5186   12.098   47.529   10.853   86.902   34.993  181.262   23.681 -94.36086 42.25286 
1 1 1   11   23   12 o  209.910   16.687   60.495   8.9984   54.162   13.119   66.121   12.366  189.830   27.480  214.642   22.579 -24.81192 35.56630 
1 1 1   11   23   13 o  186.924   17.694   48.514   8.4653   60.553   13.104   39.891   11.090  202.033   25.615  162.141   27.380 39.89162 37.49407 
1 1 1   11   23   14 f  228.626   14.598   71.074   8.5999   74.252   13.011   68.608   11.460  226.597   22.463  219.790   20.361 6.807190 30.31761 
1 1 1   11   23   15 o   96.494   28.171   14.736   7.4799   3.6773   11.561   22.698   9.8099   74.130   32.245  117.398   31.573 -43.26851 45.12815 
1 1 1   11   23   16 o  116.120   26.594   21.007   7.8269   2.6194   12.194   33.892   10.207   73.339   32.464  147.381   27.755 -74.04210 42.71128 
1 1 1   11   23   17 o  111.642   26.013   19.448   7.3830   20.623   11.311   18.576   9.7455  107.713   35.213  104.314   32.537 3.398949 47.94383 
1 1 1   11   23   18 o   87.590   27.223   12.234   6.8292   14.869   10.662   10.400   8.8927   93.283   33.996   82.128   30.843 11.15421 45.90260 
1 1 1   11   23   19 o  221.111   14.936   67.457   8.5045   70.357   13.225   65.412   11.105  215.778   24.071  212.182   20.459 3.596313 31.59108 
1 1 1   11   23   20 f   75.564   26.640   8.7674   6.4870   13.039   9.0260   4.2039   9.3294   87.977   31.381   68.617   29.397 19.35939 42.99946 
1 1 1   11   23   21 o   87.941   27.099   12.676   6.7835   24.770   14.295   9.1606   7.7066  109.307   39.435   76.892   28.745 32.41535 48.79971 
1 1 1   11   23   22 o   85.722   29.238   12.469   7.7849   0.0000   0.0000   12.469   7.7849  ?   ?    85.722   29.238 0.000000 29.23784 
1 1 1   11   23   23 o   60.601   26.279   2.5751   7.6319 -17.9300   15.458   9.1841   8.7760   58.265   28.717   76.321   30.109 -18.05536 41.60755 
1 1 1   11   23   24 o   74.451   27.571   9.0368   7.0570   31.310   16.008   3.6644   7.8621  113.403   41.606   62.648   26.917 50.75508 49.55439 
1 1 1   11   23   25 o   88.357   32.728   15.309   9.9449   1.3840   15.055   26.090   13.247   69.970   32.827  107.031   38.033 -37.06068 50.24092 
1 1 1   11   23   26 o   84.876   28.045   13.075   7.1676   4.5040   15.028   15.600   8.1550   71.650   33.345   90.716   29.911 -19.06626 44.79519 
1 1 1   11   23   27 o   65.883   28.130   5.9899   8.4906   11.500   15.906   3.7942   10.041   77.819   35.518   64.211   28.869 13.60774 45.77065 
1 1 1   11   23   28 o   86.483   28.346   14.301   7.3279  -1.9160   15.100   19.298   8.3810   63.952   30.796   98.893   30.057 -34.94100 43.03267 
1 1 1   11   23   29 o   60.145   25.696   4.6723   7.0924   10.080   15.690   3.2835   7.9512   73.457   34.148   58.838   26.121 14.61885 42.99319 
1 1 1   11   23   30 f   52.839   23.952   1.0502   7.0780   0.5967   15.385   1.1719   7.9717   64.139   30.937   54.920   25.097 9.218700 39.83629 
1 1 1   11   23   31 o   48.468   22.628  -1.3713   7.0072  -2.1730   15.765  -1.1739   7.8224   61.444   30.018   50.741   23.760 10.70255 38.28349 
1 1 1   11   23   32 o   47.083   22.081  -1.5678   6.8004   12.640   16.166  -4.6223   7.4958   70.920   33.503   45.239   21.763 25.68079 39.95067 
1 1 1   11   23   33 o   62.088   25.796   7.1885   6.8350   23.630   17.069   4.0485   7.4592   77.593   35.913   56.226   25.109 21.36716 43.82000 
1 1 1   11   24    0 o   93.352   31.322   13.236   8.9330   8.7605   13.373   16.842   12.004   87.942   36.271  102.983   36.247 -15.04051 51.27758 
1 1 1   11   24    1 o  169.827   20.606   40.572   8.8790   28.015   13.202   50.942   11.997  129.352   37.330  186.882   25.445 -57.53067 45.17757 
1 1 1   11   24    2 o  173.024   20.627   42.121   9.0624   32.338   13.473   50.206   12.247  139.617   36.752  184.746   26.337 -45.12941 45.21432 
1 1 1   11   24    3 o   46.323   22.360 -10.6599   8.0737 -20.6567   12.064  -2.5513   10.865   51.900   25.539   65.300   29.630 -13.39927 39.11722 
1 1 1   11   24    4 o  119.399   31.524   22.542   9.8934   29.190   19.811   20.333   11.419  124.776   46.197  111.432   35.287 13.34367 58.13237 
1 1 1   11   24    5 o  152.675   27.065   34.877   10.312   47.910   20.560   30.498   11.919  158.286   46.847  137.441   33.730 20.84462 57.72645 
1 1 1   11   24    6 o  235.715   16.221   75.829   9.8440   60.409   14.838   87.952   13.156  198.951   29.702  250.251   20.475 -51.30048 36.07541 
1 1 1   11   24    7 o  192.132   18.419   51.317   9.0547   47.379   13.385   54.639   12.295  174.654   30.708  192.840   25.217 -18.18636 39.73498 
1 1 1   11   24    8 o  129.885   25.548   25.270   8.2892   28.767   12.231   22.300   11.273  131.033   35.261  115.508   34.803 15.52489 49.54346 
1 1 1   11   24    9 o   91.462   29.489   13.029   7.9474   7.3897   11.526   18.140   10.973   81.153   33.589  104.409   34.709 -23.25603 48.30091 
1 1 1   11   24   10 o  109.954   35.160   20.596   11.316   20.596   11.316   0.0000   0.0000  109.954   35.160  ?   ?  0.000000 35.15991 
1 1 1   11   24   11 o   77.759   27.764   8.7968   7.0669   3.4527   10.779   12.825   9.3588   72.357   31.304   90.123   31.974 -17.76595 44.74708 
1 1 1   11   24   12 o  120.475   26.001   22.334   7.8761   11.973   11.627   31.120   10.707   88.703   34.762  138.795   30.604 -50.09214 46.31392 
1 1 1   11   24   13 o  139.152   22.251   28.546   7.7500   32.639   12.119   25.713   10.081  138.138   34.079  124.643   31.275 13.49559 46.25454 
1 1 1   11   24   14 o   53.313   24.057  -1.4081   7.0478 -14.9732   11.107   7.7363   9.1190   51.661   25.230   76.400   30.516 -24.73896 39.59497 
1 1 1   11   24   15 o   85.066   28.398   11.577   7.3424   2.2956   11.529   17.910   9.5235   70.589   31.391  101.993   32.217 -31.40398 44.98149 
1 1 1   11   24   16 o  207.520   15.732   59.875   8.3934   51.506   12.156   67.499   11.603  181.504   26.650  214.697   21.138 -33.19249 34.01525 
1 1 1   11   24   17 o   72.380   27.284   7.5866   6.9712   8.6204   10.791   6.8462   9.1329   78.868   32.560   73.375   30.084 5.492729 44.33081 
1 1 1   11   24   18 o  153.468   19.578   34.357   7.6055   29.865   11.212   38.186   10.351  129.562   33.245  154.897   26.766 -25.33443 42.68042 
1 1 1   11   24   19 o  249.977   13.847   86.022   8.9310   64.058   12.506  108.881   12.758  203.830   24.157  275.894   17.950 -72.06461 30.09587 
1 1 1   11   24   20 o  143.702   24.194   32.295   8.6857   18.380   14.006   40.989   11.072   95.192   37.884  157.658   28.143 -62.46638 47.19336 
1 1 1   11   24   21 o   65.250   31.073  -4.9140   14.459   0.0000   0.0000  -4.9140   14.459  ?   ?    65.250   31.073 0.000000 31.07296 
1 1 1   11   24   22 o   58.051   25.733   1.4419   7.6877  -1.8630   13.977   2.8754   9.2052   66.390   31.298   63.759   28.216 2.631226 42.13887 
1 1 1   11   24   23 o  120.553   33.140   28.142   10.670   22.310   15.724   33.120   14.526   95.565   39.362  118.555   39.941 -22.99026 56.07699 
1 1 1   11   24   24 o   73.014   27.469   9.1125   7.0592   13.000   14.773   7.9623   8.0360   80.939   35.785   70.407   28.461 10.53188 45.72276 
1 1 1   11   24   25 o  104.109   27.026   19.341   7.3521   6.1700   15.990   22.872   8.2792   72.541   33.969  111.797   28.503 -39.25626 44.34286 
1 1 1   11   24   26 o   74.724   29.810   10.651   8.6918  -2.1020   16.111   15.887   10.323   64.848   31.371   84.965   32.905 -20.11748 45.46254 
1 1 1   11   24   27 o   44.691   21.372  -4.8668   6.9922 -23.1800   15.052   0.1725   7.8958   50.944   25.605   53.764   24.719 -2.820000 35.58999 
1 1 1   11   24   28 o   59.316   25.388   4.6840   6.9459   14.000   16.047   2.5363   7.7051   75.727   34.969   56.503   25.355 19.22361 43.19416 
1 1 1   11   24   29 o   57.678   25.126   4.1054   7.0411   5.5180   15.754   3.7528   7.8710   66.905   32.018   58.201   25.906 8.704121 41.18614 
1 1 1   11   24   30 o   55.568   24.713   3.2532   7.1469   13.030   16.132   0.8657   7.9720   71.667   33.737   53.232   24.604 18.43543 41.75564 
1 1 1   11   24   31 o   92.555   28.538   18.279   7.5215   12.500   16.832   19.722   8.4076   69.201   33.111   92.832   30.360 -23.63088 44.92295 
1 1 1   11   24   32 o   51.660   23.778   1.7069   7.3341   5.8490   16.564   0.6968   8.1796   62.617   30.629   51.673   24.228 10.94464 39.05289 
1 1 1   11   25    0 o  159.604   22.870   37.129   9.1847   30.535   14.265   41.798   12.004  130.357   39.122  163.973   29.339 -33.61497 48.90093 
1 1 1   11   25    1 o  118.420   28.624   21.996   8.6831   16.974   13.498   25.542   11.342  100.793   37.971  123.279   34.276 -22.48610 51.15273 
1 1 1   11   25    2 o  227.395   16.925   71.399   9.8977   79.647   14.925   64.924   13.224  231.803   25.267  209.567   24.844 22.23593 35.43458 
1 1 1   11   25    3 o  199.718   20.840   56.949   10.622   48.910   20.373   59.950   12.448  155.475   46.775  201.708   24.315 -46.23245 52.71725 
1 1 1   11   25    4 o   69.176   29.511   3.3688   9.3293  -7.0020   18.010   7.1720   10.907   75.090   35.439   79.229   32.724 -4.138565 48.23630 
1 1 1   11   25    5 o  139.705   24.352   29.140   8.4922   32.344   13.002   26.757   11.215  136.591   36.176  126.107   33.691 10.48361 49.43474 
1 1 1   11   25    6 o  212.684   16.421   62.506   8.9766   43.636   13.344   78.103   12.132  163.227   32.700  234.224   20.194 -70.99695 38.43307 
1 1 1   11   25    7 f  151.649   20.733   33.200   7.9310   29.176   11.746   36.572   10.752  130.628   34.281  153.082   28.154 -22.45349 44.36021 
1 1 1   11   25    8 o  112.803   27.225   20.037   7.8641   6.4936   11.486   31.989   10.790   77.978   32.984  140.441   30.531 -62.46262 44.94514 
1 1 1   11   25    9 o   99.375   28.426   15.933   7.6863   8.1374   11.666   21.912   10.218   80.725   33.633  113.115   32.897 -32.38906 47.04701 
1 1 1   11   25   10 o   61.553   26.188   2.5587   7.3109  -3.5903   10.912   7.5672   9.8481   61.845   28.656   76.927   31.356 -15.08175 42.47751 
1 1 1   11   25   11 o  143.301   22.407   30.577   8.0451   24.989   11.649   35.672   11.124  117.459   35.377  147.692   30.098 -30.23296 46.44803 
1 1 1   11   25   12 f   60.312   25.997   2.0509   7.3786   3.3758   11.503   1.1248   9.6178   71.716   31.649   64.429   28.660 7.286491 42.69725 
1 1 1   11   25   13 o  148.831   21.585   32.903   8.0785   29.835   12.627   35.029   10.512  126.127   36.538  146.877   28.658 -20.74961 46.43613 
1 1 1   11   25   14 o  171.029   18.935   42.252   8.2477   36.950   12.347   46.524   11.083  144.677   33.592  172.724   25.542 -28.04662 42.19944 
1 1 1   11   25   15 o  104.185   27.888   18.038   7.6750   20.884   11.687   15.880   10.177  104.294   35.820   93.775   33.335 10.51930 48.93109 
1 1 1   11   25   16 o   71.651   27.495   7.5328   7.1593   2.7124   10.577   11.609   9.7261   67.621   30.069   83.146   32.012 -15.52518 43.91921 
1 1 1   11   25   17 o   64.139   25.884   5.0522   6.6353   5.3822   9.6366   4.7547   9.1498   69.930   29.916   68.011   29.125 1.919174 41.75223 
1 1 1   11   25   18 o  161.701   21.738   39.736   8.8746   41.220   16.096   39.088   10.637  135.977   41.718  153.669   27.745 -17.69193 50.10155 
1 1 1   11   25   19 o   78.980   31.485   10.555   9.6896   11.230   12.353   9.4760   15.622   81.156   34.261   80.401   36.090 0.7545395 49.76181 
1 1 1   11   25   20 o   64.770   29.139   2.5180   10.249  -0.1501   14.245   5.3810   14.756   67.951   31.897   74.141   33.979 -6.189850 46.60412 
1 1 1   11   25   21 o   84.206   32.748   13.856   10.259   10.070   15.139   17.070   13.950   78.501   35.356   88.068   36.743 -9.567650 50.99137 
1 1 1   11   25   22 o   48.421   22.790  -3.6038   7.3566   18.260   14.238 -11.5659   8.5923   88.060   36.957   44.201   21.711 43.85937 42.86269 
1 1 1   11   25   23 o   45.143   21.477  -4.6616   6.8728 -16.0200   14.258  -1.2235   7.8443   54.106   26.832   52.566   24.335 1.540653 36.22375 
1 1 1   11   25   24 o   45.770   21.700  -3.9512   6.8997  -7.0400   15.207  -3.1506   7.7424   60.207   29.428   49.285   23.253 10.92171 37.50616 
1 1 1   11   25   25 o   65.097   28.026   6.5429   8.5550   6.5340   15.032   6.5471   10.404   69.382   32.632   66.508   29.681 2.874130 44.11092 
1 1 1   11   25   26 o   45.107   21.539  -4.2923   7.0472   1.5300   14.889  -5.9734   8.0002   63.992   30.756   46.027   22.228 17.96452 37.94752 
1 1 1   11   25   27 o   80.220   28.130   13.239   7.2260   22.960   16.870   11.055   7.9968   82.368   37.190   73.004   28.760 9.363838 47.01278 
1 1 1   11   25   28 o  105.306   27.970   22.068   7.7583   30.010   18.247   20.315   8.5717   85.966   38.758   95.593   30.605 -9.627235 49.38470 
1 1 1   11   25   29 o  104.475   27.833   22.102   7.6678   39.750   17.000   17.595   8.5913   98.516   40.786   86.157   30.628 12.35958 51.00548 
1 1 1   11   25   30 o   53.574   24.294   2.8603   7.2894   10.700   16.632   0.9964   8.1098   66.201   31.989   52.138   24.342 14.06232 40.19724 
1 1 1   11   25   31 o   58.581   25.579   6.2827   7.3361 -11.3600   16.593   10.569   8.1789   52.932   26.641   66.760   28.014 -13.82795 38.65883 
1 1 1   11   26    0 o   64.777   27.319   3.4763   7.8420   10.491   11.746  -2.1646   10.533   84.573   34.331   62.564   28.686 22.00972 44.73808 
1 1 1   11   26    1 o  197.900   21.105   57.010   10.652   38.300   19.909   64.515   12.609  129.944   46.578  207.522   23.892 -77.57820 52.34862 
1 1 1   11   26    2 o  154.650   26.409   37.110   10.199   17.920   19.971   43.881   11.863   99.315   42.788  166.127   28.600 -66.81168 51.46644 
1 1 1   11   26    3 o  202.059   17.881   57.671   9.2620   44.919   14.335   66.809   12.135  159.917   35.529  212.796   22.350 -52.87869 41.97372 
1 1 1   11   26    4 o  128.335   26.145   25.755   8.3961   6.3414   12.833   40.284   11.102   78.537   34.067  159.498   27.887 -80.96046 44.02530 
1 1 1   11   26    5 o   94.680   29.443   14.863   7.9867   23.852   11.928   7.5577   10.753  113.632   36.074   77.573   32.302 36.05937 48.42277 
1 1 1   11   26    6 o  116.217   26.936   21.580   7.9504   25.526   12.037   18.527   10.589  117.314   36.090  101.731   34.102 15.58381 49.65334 
1 1 1   11   26    7 o  122.118   25.150   23.261   7.6905   16.487   11.850   28.190   10.108   95.520   35.657  129.524   30.613 -34.00346 46.99551 
1 1 1   11   26    8 o   59.481   25.914   1.6017   7.4914  -0.0324   11.039   2.9965   10.199   65.650   29.819   68.240   29.969 -2.589378 42.27622 
1 1 1   11   26    9 o  185.337   17.739   48.956   8.4120   48.881   12.554   49.017   11.332  173.033   29.039  177.534   25.363 -4.500961 38.55563 
1 1 1   11   26   10 o   84.201   28.567   11.716   7.4312   9.2062   10.934   13.871   10.130   79.404   32.778   88.995   33.018 -9.591019 46.52515 
1 1 1   11   26   11 o   53.993   24.007   0.1046   6.7412  -3.4535   10.448   2.6426   8.8237   59.404   27.699   64.101   28.020 -4.697063 39.39952 
1 1 1   11   26   12 o   61.200   26.068   3.1124   7.2594   9.7148   11.468  -1.3018   9.3772   79.989   33.339   59.173   27.107 20.81623 42.96792 
1 1 1   11   26   13 o  104.856   27.363   18.380   7.5110   12.671   11.268   22.945   10.076   85.011   33.933  111.746   32.716 -26.73551 47.13615 
1 1 1   11   26   14 o   73.505   27.703   8.4442   7.1861  -1.3797   10.871   16.069   9.5770   62.091   28.711   93.192   32.401 -31.10044 43.29113 
1 1 1   11   26   15 o   56.129   24.534   1.5425   6.7639  -6.2049   9.9922   8.0949   9.1893   54.349   25.868   73.834   30.214 -19.48471 39.77451 
1 1 1   11   26   16 f   84.121   28.791   12.405   7.5490   14.110   12.802   11.495   9.3470   85.794   35.446   80.849   31.311 4.944580 47.29414 
1 1 1   11   26   17 o   63.999   28.784   2.3149   9.9917  -0.8902   13.548   6.1370   14.795   66.189   31.081   74.952   34.227 -8.762878 46.23358 
1 1 1   11   26   18 o   92.497   39.509   21.140   16.760   21.140   16.760   0.0000   0.0000   92.497   39.509  ?   ?  0.000000 39.50912 
1 1 1   11   26   19 o   50.426   23.843  -4.1882   8.2211  -2.4882   10.491  -6.8940   13.235   57.917   27.246   59.190   28.585 -1.272953 39.49002 
1 1 1   11   26   20 o  113.192   25.360   21.844   7.2511   17.417   10.186   26.393   10.325   90.426   33.186  113.807   33.061 -23.38097 46.84411 
1 1 1   11   26   21 o   78.986   27.968   11.721   7.1569   5.1781   10.144   18.205   10.099   65.642   29.300   91.102   33.104 -25.46008 44.20778 
1 1 1   11   26   22 o   67.541   28.323   7.6488   8.3515   3.8020   15.678   9.1728   9.8680   68.055   32.394   70.976   30.316 -2.920937 44.36752 
1 1 1   11   26   23 o   78.057   28.313   12.147   7.3829   6.8610   15.069   13.816   8.4690   69.106   32.554   80.758   30.145 -11.65266 44.36702 
1 1 1   11   26   24 o   73.941   29.666   11.525   8.6603   38.940   15.551  -0.7991   10.427  110.562   40.931   56.299   26.688 54.26234 48.86325 
1 1 1   11   26   25 o   77.907   28.767   12.957   7.6717   5.5290   16.441   15.024   8.6740   66.306   31.982   81.209   30.469 -14.90233 44.17212 
1 1 1   11   26   26 o   53.418   24.253   2.0200   7.2940   28.970   15.818  -5.2579   8.2201   88.560   38.118   46.358   22.422 42.20184 44.22347 
1 1 1   11   26   27 o   47.774   22.425  -1.1163   7.0408  -4.1080   15.854  -0.3812   7.8582   57.931   28.651   50.518   23.706 7.412296 37.18671 
1 1 1   11   26   28 o   50.631   23.520   0.7952   7.4219  -2.5870   16.179   1.6966   8.3526   57.907   28.693   53.371   24.846 4.536041 37.95542 
1 1 1   11   26   29 o   50.185   23.353   1.0719   7.3677  -7.1470   16.223   3.2076   8.2697   54.499   27.276   54.395   25.113 0.1045494 37.07629 
1 1 1   11   26   30 o   37.685   18.704  -9.3196   6.9850 -15.1100   15.860  -7.9263   7.7801   49.718   25.147   40.900   20.198 8.817444 32.25415 
1 1 1   11   27    0 f   84.367   31.987   12.056   9.6172   30.950   19.850   6.2610   10.994  111.484   44.848   73.968   31.807 37.51601 54.98173 
1 1 1   11   27    1 o  161.754   24.296   40.546   9.8651   26.810   18.493   46.010   11.663  106.816   43.176  168.540   27.676 -61.72397 51.28493 
1 1 1   11   27    2 o  203.928   17.418   59.311   9.1125   46.227   13.483   70.313   12.364  161.791   33.283  215.866   22.439 -54.07419 40.14095 
1 1 1   11   27    3 o  148.834   22.483   33.661   8.3977   36.910   12.851   31.239   11.094  141.054   35.265  132.623   32.539 8.430328 47.98396 
1 1 1   11   27    4 o   43.888   21.256  -9.0666   7.4511  -6.9001   10.676 -11.1244   10.404   56.148   26.728   51.549   25.003 4.598763 36.59931 
1 1 1   11   27    5 o  182.907   18.280   48.340   8.5450   39.676   12.026   57.175   12.144  150.895   31.772  190.714   25.200 -39.81902 40.55221 
1 1 1   11   27    6 f  145.060   22.174   32.024   8.0671   12.409   11.407   51.650   11.410   84.642   34.016  181.282   24.961 -96.63972 42.19168 
1 1 1   11   27    7 o  160.491   21.203   38.727   8.5988   34.541   12.750   42.218   11.646  133.936   35.984  158.135   29.516 -24.19954 46.54080 
1 1 1   11   27    8 o  124.449   25.684   25.028   8.0048   25.077   12.568   24.994   10.383  110.339   37.152  116.105   32.979 -5.766434 49.67781 
1 1 1   11   27    9 f  121.559   26.122   24.160   7.9802   27.190   12.402   22.019   10.425  115.407   36.799  107.298   33.683 8.108498 49.88659 
1 1 1   11   27   10 o   62.008   26.190   3.8631   7.2241  -0.9030   11.145   7.3169   9.4871   62.856   29.066   72.521   30.282 -9.665684 41.97466 
1 1 1   11   27   11 o  101.352   27.666   17.644   7.4668   19.803   11.410   16.028   9.8745   98.688   35.274   91.694   32.810 6.994194 48.17441 
1 1 1   11   27   12 o   96.391   29.932   16.863   8.2577   4.0190   14.367   23.199   10.091   72.720   33.401  110.090   32.874 -37.37022 46.86481 
1 1 1   11   27   13 o   58.650   27.201  -1.4987   9.8653   0.8195   12.848  -4.8290   15.399   66.845   31.016   65.581   31.456 1.263695 44.17527 
1 1 1   11   27   14 o   89.021   38.411   18.040   16.143   0.0000   0.0000   18.040   16.143  ?   ?    89.021   38.411 0.000000 38.41117 
1 1 1   11   27   15 o   70.864   33.115   3.1580   15.063   3.1580   15.063   0.0000   0.0000   70.864   33.115  ?   ?  0.000000 33.11454 
1 1 1   11   27   16 o   46.573   22.684  -9.5769   8.8109 -16.2800   13.090  -4.0250   11.913   52.374   25.926   59.036   28.139 -6.661476 38.26186 
1 1 1   11   27   17 o   75.129   28.604   10.221   7.7106   4.8030   9.5660   20.270   13.028   65.181   28.808   91.714   36.524 -26.53294 46.51822 
1 1 1   11   27   18 o   88.481   28.426   14.894   7.3897   9.6929   10.636   19.748   10.275   73.225   31.380   94.656   33.511 -21.43115 45.90989 
1 1 1   11   27   19 o  124.939   23.298   26.030   7.2625   26.200   10.092   25.848   10.459  111.202   32.797  108.557   33.682 2.645226 47.01167 
1 1 1   11   27   20 o  132.782   23.418   29.745   7.7601   20.889   11.262   37.752   10.708   91.761   34.656  138.670   30.629 -46.90958 46.25133 
1 1 1   11   27   21 o   70.257   27.437   9.4737   7.2240  -4.8217   10.104   24.425   10.333   51.971   25.068  101.888   33.673 -49.91774 41.97956 
1 1 1   11   27   22 o   83.221   27.863   14.155   7.0687  -3.8871   9.0840   41.849   11.254   50.226   24.109  142.277   31.381 -92.05148 39.57260 
1 1 1   11   27   23 o   41.436   20.542 -11.5207   8.3301   5.1640   15.420 -18.3961   9.8987   64.748   31.165   41.263   20.743 23.48423 37.43668 
1 1 1   11   27   24 o   57.158   25.363   4.3205   7.4878   14.870   15.411   1.0604   8.5670   71.724   33.509   53.785   25.080 17.93900 41.85524 
1 1 1   11   27   25 o   53.746   24.399   2.7115   7.3783   18.360   15.614  -1.7875   8.3720   73.546   34.148   49.540   23.606 24.00589 41.51327 
1 1 1   11   27   26 o   41.477   20.293  -6.7789   7.2854 -23.9000   15.834  -2.1806   8.2056   48.217   24.468   48.262   23.099 -0.4494476E-01 33.64875 
1 1 1   11   27   27 o   47.647   22.568  -0.8352   7.4254 -28.3300   16.385   6.2708   8.3299   46.810   23.862   58.774   26.370 -11.96338 35.56361 
1 1 1   11   27   28 o   57.929   25.702   6.5265   7.6860   14.660   16.572   4.2975   8.6755   64.664   31.407   55.024   25.515 9.639481 40.46551 
1 1 1   11   27   29 o  104.920   29.084   26.147   8.1787   1.4650   17.657   32.889   9.2284   55.916   28.052  116.661   30.276 -60.74552 41.27429 
1 1 1   11   28    0 o  120.053   37.847   30.810   13.148   46.570   18.594   15.050   18.594  134.202   45.189   86.956   39.172 47.24644 59.80357 
1 1 1   11   28    1 o  141.927   37.583   41.190   14.035   40.220   20.058   42.120   19.646  118.335   45.855  122.537   45.878 -4.202362 64.86537 
1 1 1   11   28    2 o  146.253   36.336   42.347   13.704   44.580   19.458   40.150   19.304  127.262   45.995  120.066   45.368 7.196068 64.60470 
1 1 1   11   28    3 o  199.264   27.766   66.511   13.942   74.560   19.602   58.270   19.834  186.235   41.675  151.518   46.280 34.71660 62.27849 
1 1 1   11   28    4 o  124.212   35.106   30.651   11.796   32.780   16.066   28.160   17.375  115.012   41.760  104.199   41.944 10.81245 59.18771 
1 1 1   11   28    5 o   77.577   32.233   10.028   10.672   1.1040   14.095   22.020   16.339   69.047   32.187   95.759   39.842 -26.71136 51.21940 
1 1 1   11   28    6 o   57.787   27.513  -5.2923   11.322   11.350   16.296 -20.8200   15.741   81.612   36.727   56.126   27.894 25.48631 46.11944 
1 1 1   11   28    7 f   58.832   28.046  -5.2227   11.843 -38.7100   17.315   24.210   16.233   51.472   26.062   98.465   40.210 -46.99307 47.91700 
1 1 1   11   28    8 o   58.875   28.014  -4.6868   11.701  -8.1660   17.349  -1.7830   15.849   65.568   31.913   68.136   32.471 -2.568047 45.52787 
1 1 1   11   28    9 o  169.650   39.879   62.030   17.229   0.0000   0.0000   62.030   17.229  ?   ?   169.650   39.879 0.000000 39.87855 
1 1 1   11   28   10 o   66.749   32.005  -2.8190   15.913   0.0000   0.0000  -2.8190   15.913  ?   ?    66.749   32.005 0.000000 32.00539 
1 1 1   11   28   11 o  102.740   41.584   29.780   17.180   29.780   17.180   0.0000   0.0000  102.740   41.584  ?   ?  0.000000 41.58444 
1 1 1   11   28   12 o   61.257   28.144   1.0697   10.211   12.150   15.818  -6.8480   13.371   79.419   35.921   59.126   28.597 20.29299 45.91380 
1 1 1   11   28   13 o   64.276   27.400   5.4159   8.0321  -2.8297   10.142   19.290   13.156   56.199   26.545   89.732   36.365 -33.53283 45.02234 
1 1 1   11   28   14 o   53.733   23.895   1.4307   6.6805  -5.0735   9.0700   9.1430   9.8766   51.010   24.380   72.276   30.580 -21.26634 39.10874 
1 1 1   11   28   15 o   68.177   27.020   7.9196   7.0976   7.9431   10.146   7.8971   9.9328   69.630   30.247   69.439   30.046 0.1913300 42.63340 
1 1 1   11   28   16 o   99.995   26.530   18.266   6.9850   26.868   9.7927   9.3560   9.9661  114.072   31.897   71.185   30.438 42.88644 44.08964 
1 1 1   11   28   17 o   90.987   28.089   16.232   7.2844   8.6255   10.450   23.422   10.160   69.197   30.363  101.218   33.387 -32.02136 45.12894 
1 1 1   11   28   18 o  111.041   25.721   22.412   7.2528   14.595   10.432   29.727   10.091   78.605   32.182  117.686   32.178 -39.08114 45.50906 
1 1 1   11   28   19 o   88.876   28.870   16.565   7.6076   16.751   11.190   16.406   10.374   80.375   33.168   81.076   32.489 -0.7005692 46.42912 
1 1 1   11   28   20 o   79.859   28.517   13.755   7.4557   16.780   10.589   10.781   10.499   80.155   32.575   69.668   30.506 10.48697 44.62856 
1 1 1   11   28   21 o   45.047   21.571  -3.6543   7.1753   0.5312   10.133  -7.8632   10.162   55.406   26.277   48.059   23.607 7.347141 35.32393 
1 1 1   11   28   22 o   53.611   25.053   1.3297   8.6230  -1.7974   10.398   8.2150   15.430   52.929   25.505   64.865   31.209 -11.93607 40.30551 
1 1 1   11   28   23 o   48.405   23.272  -2.7339   8.5406   24.370   15.907 -13.7117   10.123   77.769   35.505   43.370   21.682 34.39959 41.60154 
1 1 1   11   28   24 o   64.111   26.928   8.9378   7.5689   14.740   15.787   7.2059   8.6249   67.560   32.255   60.696   27.060 6.864418 42.10227 
1 1 1   11   28   25 o   72.897   28.328   13.223   7.6714   4.8170   16.376   15.586   8.6832   59.638   29.424   75.845   29.940 -16.20775 41.97863 
1 1 1   11   28   26 o   85.650   29.781   19.105   8.0909   12.770   16.801   21.018   9.2319   62.747   30.725   85.010   31.524 -22.26307 44.02039 
1 1 1   11   28   27 o   79.730   29.862   18.122   8.3246   7.6950   17.643   21.108   9.4417   58.279   29.056   81.861   31.534 -23.58230 42.87927 
1 1 1   11   28   28 o   45.968   22.108  -0.5261   7.7234   17.110   17.459  -4.8173   8.6119   60.874   30.099   43.534   21.452 17.33971 36.96091 
1 1 1   11   29    0 o  207.773   23.718   69.888   12.536   63.130   18.018   76.230   17.453  163.149   42.287  194.469   35.972 -31.32028 55.51749 
1 1 1   11   29    1 o  214.251   22.293   72.621   12.191   62.310   17.297   82.800   17.185  165.951   40.577  208.933   32.837 -42.98248 52.19945 
1 1 1   11   29    2 o  254.556   20.600   99.792   13.467  113.700   20.243   88.750   18.037  244.946   32.722  214.955   33.484 29.99042 46.81800 
1 1 1   11   29    3 o   74.402   31.378   9.5952   10.345   14.990   15.858   5.5980   13.650   82.662   36.785   71.011   32.594 11.65099 49.14778 
1 1 1   11   29    4 o   63.202   28.532   2.9462   9.9247   28.840   15.960 -13.3800   12.673  102.254   40.520   53.093   26.135 49.16117 48.21706 
1 1 1   11   29    5 o   56.548   26.537  -2.0795   9.8483   3.4880   15.989  -5.4830   12.501   70.636   33.353   58.459   28.118 12.17679 43.62416 
1 1 1   11   29    6 o   90.115   36.354   19.420   13.084   0.0000   0.0000   19.420   13.084  ?   ?    90.115   36.354 0.000000 36.35442 
1 1 1   11   29    7 o   88.980   30.580   15.742   8.5189   6.3605   11.176   28.750   13.160   69.024   30.786  108.338   37.964 -39.31393 48.87767 
1 1 1   11   29    8 o   70.956   29.028   8.6686   8.4795   11.078   11.034   5.1930   13.252   75.969   32.242   69.073   31.855 6.896011 45.32439 
1 1 1   11   29    9 o   69.915   27.687   8.4582   7.4473   15.453   10.802   2.1213   10.281   83.847   33.300   61.659   28.296 22.18778 43.69897 
1 1 1   11   29   10 o  144.328   21.768   33.495   7.8850   32.511   11.370   34.407   10.944  123.221   34.341  130.759   32.462 -7.538010 47.25508 
1 1 1   11   29   11 o  167.076   18.680   42.784   7.9457   43.428   11.361   42.168   11.117  151.546   30.004  149.752   29.707 1.793640 42.22276 
1 1 1   11   29   12 o  154.416   19.558   37.293   7.6474   40.301   10.924   34.401   10.710  144.955   30.078  130.100   32.001 14.85524 43.91750 
1 1 1   11   29   13 o  101.458   27.003   19.274   7.2216   18.227   10.343   20.270   10.087   87.622   33.185   93.211   33.182 -5.588379 46.92818 
1 1 1   11   29   14 o   65.898   26.686   7.7292   7.0786   11.957   9.9513   3.3989   10.071   74.132   30.990   60.784   27.936 13.34776 41.72252 
1 1 1   11   29   15 o   47.273   22.176  -1.8610   6.8674   1.0617   9.9124  -4.5587   9.5233   57.133   26.751   50.581   24.383 6.551506 36.19577 
1 1 1   11   29   16 o   47.138   22.108  -1.6204   6.8180  -3.4169   9.7547   0.0955   9.5334   51.661   24.846   54.900   25.871 -3.239307 35.86964 
1 1 1   11   29   17 f  123.524   23.976   27.274   7.3949   30.058   10.595   24.631   10.326  111.123   33.800   98.089   33.670 13.03371 47.70799 
1 1 1   11   29   18 f   56.267   24.900   4.2114   7.1683   0.7462   10.236   7.5463   10.042   55.449   26.330   63.477   28.673 -8.028179 38.92872 
1 1 1   11   29   19 o   74.441   27.525   12.264   7.0283   12.624   9.5282   11.834   10.409   71.011   30.040   68.878   30.262 2.133476 42.63990 
1 1 1   11   29   20 o   49.917   23.771  -0.9734   8.4621  -2.8733   10.383   2.7840   14.602   51.186   24.861   59.389   28.987 -8.203167 38.18791 
1 1 1   11   29   21 o   60.409   27.059   7.1659   8.7330   14.988   10.752  -7.9990   14.971   71.472   31.092   52.878   26.425 18.59443 40.80479 
1 1 1   11   29   22 o   55.688   24.798   5.0659   7.2199   0.6199   9.7965   10.352   10.682   52.470   25.146   63.855   29.130 -11.38523 38.48221 
1 1 1   11   29   23 f   52.857   24.848   2.6926   8.6981   4.7600   15.685   1.7746   10.452   58.357   28.793   53.528   25.738 4.828693 38.61961 
1 1 1   11   29   24 o   45.794   22.000  -1.5547   7.5996 -23.9300   16.311   4.6496   8.5889   46.387   23.661   54.408   25.284 -8.021564 34.62819 
1 1 1   11   29   25 o   43.519   21.194  -3.3657   7.6850   5.9150   16.078  -6.1138   8.7492   56.503   28.100   43.235   21.364 13.26765 35.29900 
1 1 1   11   29   26 o   66.645   27.873   13.354   8.0558   13.170   17.094   13.407   9.1336   58.321   28.999   64.407   28.321 -6.086414 40.53430 
1 1 1   11   30    0 o  146.327   22.217   35.021   8.1562   25.102   12.052   43.402   11.079   99.864   36.182  152.467   29.114 -52.60278 46.44078 
1 1 1   11   30    1 o  114.642   26.540   23.683   7.7256   33.535   11.235   14.844   10.641  125.001   33.859   81.068   32.757 43.93349 47.11122 
1 1 1   11   30    2 o  168.318   20.329   44.798   8.6839   45.671   12.746   44.041   11.863  147.624   34.030  149.150   31.684 -1.525620 46.49629 
1 1 1   11   30    3 o  105.434   28.290   21.168   7.8869   27.077   11.652   16.172   10.714  105.686   35.772   83.458   33.159 22.22778 48.77633 
1 1 1   11   30    4 o   55.324   25.047   1.5594   7.7119  -1.0544   11.819   3.4975   10.177   59.239   28.177   62.048   28.355 -2.809101 39.97474 
1 1 1   11   30    5 o   44.447   21.362  -5.4604   7.1804   12.816   10.698 -20.4419   9.6861   76.539   32.074   40.560   20.407 35.97871 38.01561 
1 1 1   11   30    6 o   48.043   22.620  -2.5820   7.2587  -2.3496   10.608  -2.7867   9.9538   55.732   26.561   54.085   25.763 1.646969 37.00307 
1 1 1   11   30    7 o   44.286   21.142  -4.3571   6.7826  -6.4933   10.030  -2.5570   9.2071   50.601   24.544   52.639   24.989 -2.037945 35.02660 
1 1 1   11   30    8 f   89.212   28.022   15.824   7.2144   14.092   10.740   17.248   9.7388   77.651   32.305   85.856   32.271 -8.204765 45.66177 
1 1 1   11   30    9 o   50.882   23.164   0.6696   6.7106  -6.1271   9.4414   7.6084   9.5397   49.209   23.856   66.177   29.025 -16.96811 37.57113 
1 1 1   11   30   10 o   56.749   24.873   3.7955   6.9946   9.1083   10.082  -1.1344   9.7121   68.244   29.888   54.346   25.760 13.89744 39.45715 
1 1 1   11   30   11 o   55.680   24.574   3.4613   6.9365  -6.3836   10.017   12.533   9.6150   49.656   24.186   73.857   30.633 -24.20094 39.02987 
1 1 1   11   30   12 o   57.567   25.219   4.4933   7.1824   1.4092   10.098   7.6509   10.218   56.848   26.739   64.820   29.135 -7.972698 39.54527 
1 1 1   11   30   13 f   81.820   27.964   14.359   7.1216   9.5748   9.4423   20.672   10.846   67.096   29.163   86.231   33.634 -19.13501 44.51686 
1 1 1   11   30   14 o   61.790   26.259   7.0525   7.3352   14.406   10.742   0.6292   10.040   73.509   31.521   54.932   26.083 18.57684 40.91266 
1 1 1   11   30   15 o   66.162   26.287   9.0858   6.7336  -0.5178   9.0797   20.823   10.038   51.854   24.674   86.882   32.741 -35.02821 40.99781 
1 1 1   11   30   16 o   82.025   28.554   15.602   7.4390   6.3159   10.641   24.479   10.404   60.503   28.125   92.728   33.614 -32.22456 43.82827 
1 1 1   11   30   17 o   67.128   27.007   10.203   7.1994   5.3077   10.025   15.418   10.346   58.362   27.186   72.848   31.077 -14.48579 41.28989 
1 1 1   11   30   18 o   56.804   25.109   5.6302   7.2698   5.5072   10.315   5.7516   10.247   58.086   27.226   58.329   27.275 -0.2431717 38.53850 
1 1 1   11   30   19 o   53.795   25.110   3.3372   8.6214   5.8205   10.300  -2.4760   15.758   57.774   27.120   54.922   27.395 2.851662 38.54839 
1 1 1   11   30   20 o   73.309   28.963   14.597   8.1315   13.520   9.5812   17.370   15.375   67.954   29.456   66.271   31.692 1.682945 43.26744 
1 1 1   11   30   21 o   39.318   19.439  -7.6131   7.2782  -9.8322   10.504  -5.5637   10.094   44.356   22.162   46.395   22.930 -2.038792 31.88942 
1 1 1   11   30   22 o   53.315   24.406   4.8948   7.5823   7.4133   11.061   2.6619   10.415   57.094   27.186   52.488   25.351 4.606117 37.17146 
1 1 1   11   30   23 o   68.033   27.492   13.092   7.4961   13.145   10.719   13.042   10.487   62.235   28.683   62.370   28.606 -0.1345329 40.50984 
1 1 1   11   30   24 o   58.157   25.671   9.0553   7.5728 -14.5500   16.891   14.994   8.4720   47.110   24.034   67.676   28.461 -20.56597 37.25109 
1 1 1   11   30   25 o   44.255   21.452  -0.4740   7.6283 -26.3000   17.451   5.6265   8.4816   43.648   22.419   51.524   24.317 -7.875599 33.07472 
1 1 1   11   31    0 o   38.906   19.116  -8.4917   6.6779  -6.1256   9.1864 -11.1432   9.7246   47.919   23.300   45.245   22.388 2.674091 32.31265 
1 1 1   11   31    1 o   75.504   28.129   12.112   7.3676   17.217   10.689   7.4909   10.169   80.999   32.795   64.818   29.105 16.18101 43.84751 
1 1 1   11   31    2 o   59.381   25.675   5.3344   7.2424   3.1161   10.111   7.6717   10.379   58.973   27.414   65.085   29.298 -6.111973 40.12380 
1 1 1   11   31    3 o   79.157   28.357   13.472   7.3778   32.270   10.877  -2.5483   10.041  116.298   33.976   52.750   25.328 63.54781 42.37740 
1 1 1   11   31    4 o  191.946   17.765   57.535   8.7328   48.959   12.241   66.424   12.462  150.504   32.361  189.243   26.118 -38.73845 41.58617 
1 1 1   11   31    5 o   81.494   28.893   14.687   7.6405   17.689   10.615   11.460   11.007   81.172   32.746   69.936   30.906 11.23559 45.02716 
1 1 1   11   31    6 o   70.775   27.494   10.598   7.2249   0.3426   10.010   21.748   10.438   55.095   26.126   89.975   33.489 -34.87993 42.47476 
1 1 1   11   31    7 o   48.403   22.624  -0.6114   7.0373  -9.1706   9.9817   7.8479   9.9232   46.595   22.986   64.000   28.743 -17.40519 36.80371 
1 1 1   11   31    8 o  122.305   24.941   27.806   7.6337   23.754   10.800   31.852   10.792   91.796   34.085  112.393   34.095 -20.59718 48.21006 
1 1 1   11   31    9 o   39.205   19.260  -7.8135   6.7699  -5.5190   9.5499 -10.1315   9.5985   48.072   23.459   44.701   22.141 3.370815 32.25696 
1 1 1   11   31   10 o   79.067   28.467   14.459   7.4444   8.4030   10.427   20.754   10.632   63.421   28.873   84.060   33.147 -20.63896 43.95870 
1 1 1   11   31   11 o   86.118   28.702   17.108   7.5014   23.408   10.250   9.8403   11.008   90.527   33.280   64.641   29.521 25.88637 44.48609 
1 1 1   11   31   12 o   60.639   26.166   7.3495   7.4919   3.9623   10.642   10.678   10.549   57.216   27.076   65.245   29.438 -8.028240 39.99615 
1 1 1   11   31   13 o   64.086   26.390   9.1051   7.0661   10.075   9.9668   8.1251   10.019   63.976   28.763   61.280   28.053 2.696125 40.17804 
1 1 1   11   31   14 o   41.774   20.350  -5.0594   7.0994  -3.1745   10.013  -6.9647   10.067   49.107   23.976   46.372   22.915 2.735279 33.16528 
1 1 1   11   31   15 o   39.521   19.463  -7.1336   7.0546  -1.2974   9.8479 -13.2851   10.111   50.032   24.280   42.271   21.210 7.760464 32.23952 
1 1 1   11   31   16 o   47.778   22.478   0.6570   7.1433  -0.8836   9.8609   2.3583   10.362   49.982   24.265   53.359   25.649 -3.377018 35.30816 
1 1 1   11   31   17 o   38.484   19.080  -8.3108   7.1898  -0.8237   10.414 -15.1301   9.9386   50.212   24.502   40.449   20.391 9.763390 31.87650 
1 1 1   11   31   18 o   43.401   21.273  -4.5271   8.1119 -12.3099   9.9148   11.230   14.108   41.569   20.878   60.010   29.108 -18.44054 35.82117 
1 1 1   11   31   19 o   73.212   28.139   14.937   7.5058   18.489   10.889   11.721   10.361   69.924   30.828   61.434   28.271 8.490330 41.82887 
1 1 1   11   31   20 o   87.071   29.025   20.568   7.6709   17.034   11.718   23.218   10.147   65.032   29.978   79.247   32.000 -14.21490 43.84862 
1 1 1   11   31   21 o   44.594   21.523  -0.6382   7.4750  -3.1856   10.668   1.8185   10.477   46.483   23.078   49.799   24.359 -3.315479 33.55537 
1 1 1   11   31   22 o   51.304   23.775   5.4580   7.5152   8.3055   10.551   2.5259   10.707   54.265   26.031   49.522   24.306 4.742241 35.61444 
1 1 1   11   31   23 o   42.783   20.908  -1.3917   7.6667  -3.0899   11.214   0.0987   10.505   45.342   22.691   46.708   23.140 -1.365650 32.40880 
1 1 1   11   32    0 o   54.265   24.623   3.7840   7.5037   4.0271   10.546   3.5349   10.679   57.152   27.017   56.741   26.930 0.4103661 38.14606 
1 1 1   11   32    1 o  102.684   27.950   22.742   7.6334   22.743   11.061   22.742   10.548   84.506   33.655   86.474   33.324 -1.968750 47.36214 
1 1 1   11   32    2 o   61.409   28.268   7.8707   10.368   7.8707   10.368   0.0000   0.0000   61.409   28.268  ?   ?  0.000000 28.26822 
1 1 1   11   32    3 o   50.516   23.437   1.5283   7.3337  -9.3497   10.647   11.349   10.116   46.302   23.000   66.124   29.405 -19.82172 37.33133 
1 1 1   11   32    4 o   61.494   25.866   7.8896   7.0003   11.156   9.7771   4.4537   10.028   65.870   29.118   56.942   26.739 8.928440 39.53261 
1 1 1   11   32    5 o   64.718   27.040   9.6479   7.5704   1.4031   10.460   18.718   10.971   53.977   25.899   76.197   32.234 -22.22002 41.34948 
1 1 1   11   32    6 o   55.769   24.824   5.1912   7.2268   9.0839   10.547   1.7467   9.9218   62.057   28.546   53.565   25.572 8.491943 38.32491 
1 1 1   11   32    7 o   55.893   24.817   5.4085   7.1786   12.213   10.266  -1.1035   10.042   66.064   29.483   50.805   24.624 15.25927 38.41274 
1 1 1   11   32    8 o   56.525   25.076   5.8835   7.3150   3.6541   10.625   7.8922   10.086   55.428   26.462   59.885   27.678 -4.456806 38.29244 
1 1 1   11   32    9 o   36.176   18.042 -10.4305   6.8260 -14.9141   9.2608  -5.0970   10.101   39.553   19.907   47.236   23.267 -7.682396 30.62116 
1 1 1   11   32   10 o   64.206   26.591   10.034   7.2303   16.416   10.177   3.5286   10.274   71.223   30.614   54.349   25.967 16.87408 40.14376 
1 1 1   11   32   11 o   53.952   24.129   5.0802   6.9150  -5.5883   9.8578   15.415   9.7025   45.981   22.713   69.839   29.952 -23.85743 37.58974 
1 1 1   11   32   12 o   46.771   22.206   0.1455   7.2743 -16.1241   10.238   16.733   10.337   40.361   20.389   69.964   30.462 -29.60328 36.65590 
1 1 1   11   32   13 o   69.302   27.959   13.420   7.7386   21.471   11.010   5.5586   10.879   75.173   32.064   55.213   26.471 19.96006 41.57887 
1 1 1   11   32   14 o   56.588   25.043   7.1920   7.2524   12.849   10.067   1.0874   10.457   63.201   28.614   50.692   24.695 12.50842 37.79729 
1 1 1   11   32   15 o   45.684   21.876  -0.1782   7.3797   7.5777   10.693  -7.2333   10.198   56.059   26.703   44.239   22.062 11.81935 34.63753 
1 1 1   11   32   16 o   76.621   28.660   17.104   7.6633   16.140   10.712   18.115   10.967   65.156   29.507   67.343   30.233 -2.187157 42.24538 
1 1 1   11   32   17 o   46.544   22.598  -0.0932   8.5578 -12.5260   10.414   25.760   15.018   41.044   20.714   66.457   31.653 -25.41240 37.82841 
1 1 1   11   32   18 o   38.685   19.221  -6.8531   7.4546   3.3073   10.645 -16.6308   10.443   50.349   24.612   38.902   19.754 11.44706 31.55941 
1 1 1   11   32   19 o   56.454   25.238   9.1322   7.5579   5.9624   10.477   12.571   10.913   51.607   25.044   57.498   27.270 -5.891090 37.02487 
1 1 1   11   32   20 o   53.658   24.571   8.0950   7.6938   6.3699   10.546   10.057   11.249   50.956   24.819   53.776   26.063 -2.820518 35.98955 
1 1 1   11   32   21 o   46.173   22.230   2.8995   7.8582   0.1917   11.061   5.6594   11.167   45.912   22.909   49.330   24.331 -3.417912 33.41847 
1 1 1   11   33    0 o   64.389   27.024   11.115   7.6135   13.036   10.950   9.3160   10.594   63.073   29.040   58.973   27.626 4.100845 40.08125 
1 1 1   11   33    1 o   53.350   24.300   5.0454   7.3976   8.1210   10.890   2.4098   10.081   57.643   27.310   51.911   25.040 5.731987 37.05148 
1 1 1   11   33    2 o   61.582   26.667   9.9048   7.8375   12.096   11.252   7.8397   10.923   61.666   28.751   57.309   27.209 4.357395 39.58492 
1 1 1   11   33    3 o   97.409   29.259   23.955   7.9765   24.293   11.258   23.614   11.303   78.801   32.953   77.454   32.739 1.347878 46.45179 
1 1 1   11   33    4 o   57.236   25.340   7.5046   7.4323   6.9891   10.657   7.9927   10.370   56.207   26.742   57.258   26.983 -1.050949 37.98923 
1 1 1   11   33    5 o  129.546   25.830   35.448   8.3634   27.490   11.879   43.271   11.777   81.085   33.874  116.621   35.668 -35.53545 49.19017 
1 1 1   11   33    6 f   60.523   25.985   9.3920   7.3169   7.4808   10.131   11.476   10.579   56.300   26.573   60.632   28.137 -4.332493 38.70158 
1 1 1   11   33    7 o   51.985   23.974   4.6094   7.5062  -0.0999   10.622   9.3071   10.609   49.501   24.279   57.866   27.276 -8.364479 36.51583 
1 1 1   11   33    8 o   46.461   22.220   0.4294   7.5606  -4.3440   10.865   4.9101   10.527   46.659   23.187   53.259   25.664 -6.599976 34.58731 
1 1 1   11   33    9 o   55.696   24.895   7.2826   7.3508   5.4001   10.098   9.4044   10.721   53.291   25.538   57.215   27.104 -3.924213 37.24008 
1 1 1   11   33   10 o   47.087   22.406   1.4268   7.4877  -1.2343   10.773   3.9140   10.415   48.067   23.743   51.715   25.067 -3.647705 34.52709 
1 1 1   11   33   11 o   64.600   27.086   12.528   7.6363   8.6388   10.578   16.760   11.035   55.671   26.530   64.245   29.421 -8.573822 39.61607 
1 1 1   11   33   12 o   40.520   19.973  -4.7587   7.4864  -2.6998   10.698  -6.7347   10.480   46.459   23.074   43.838   21.938 2.620953 31.83827 
1 1 1   11   33   13 o   31.740   16.137 -17.0040   7.1221  -7.0208   10.273 -26.2424   9.8825   43.130   21.603   34.340   17.587 8.789940 27.85719 
1 1 1   11   33   14 o   46.987   22.138   2.7263   6.9740   8.7270   9.3301  -4.8715   10.499   54.686   25.716   44.258   22.119 10.42823 33.92004 
1 1 1   11   33   15 o   38.857   19.501  -8.9264   8.5698 -17.2504   10.122   12.140   16.103   37.521   19.092   54.001   27.049 -16.47964 33.10790 
1 1 1   11   33   16 o   57.707   26.686   12.556   9.3950   14.922   11.275   7.1820   16.994   57.821   27.508   51.094   25.864 6.727829 37.75809 
1 1 1   11   33   17 o  101.541   29.188   29.443   8.0857   28.277   10.970   30.830   11.965   74.318   31.859   73.250   32.304 1.068336 45.37147 
1 1 1   11   33   18 o   38.056   18.980  -5.5959   7.5568 -11.6564   10.782   0.2563   10.595   39.442   20.033   45.045   22.467 -5.602711 30.10136 
1 1 1   11   33   19 o   53.367   25.950   14.208   11.401   0.0000   0.0000   14.208   11.401  ?   ?    53.367   25.950 0.000000 25.95045 
1 1 1   11   34    0 o   66.294   27.842   14.831   8.0901   17.815   11.333   11.731   11.553   62.879   29.159   56.497   27.138 6.381752 39.83364 
1 1 1   11   34    1 o   40.112   19.819  -4.8039   7.5222  -2.5139   11.104  -6.7461   10.226   46.245   23.055   42.946   21.517 3.299572 31.53654 
1 1 1   11   34    2 o   74.336   29.095   18.516   8.1371   16.032   11.676   20.862   11.346   60.399   28.514   66.525   30.221 -6.126549 41.54980 
1 1 1   11   34    3 o   45.520   21.909   0.9555   7.6192  -1.4956   10.828   3.3589   10.723   46.548   23.135   49.751   24.399 -3.202393 33.62362 
1 1 1   11   34    4 o   59.280   26.225   11.075   7.9462   13.290   11.356   8.9494   11.123   57.834   27.540   54.080   26.139 3.753929 37.96963 
1 1 1   11   34    5 o  100.694   29.844   28.621   8.3397   22.409   11.994   34.435   11.604   66.198   30.447   86.467   34.459 -20.26928 45.98334 
1 1 1   11   34    6 o   48.231   22.821   3.6450   7.5562   1.4983   10.452   5.9951   10.936   47.912   23.614   51.371   25.076 -3.458393 34.44448 
1 1 1   11   34    7 o   43.248   21.094  -1.0223   7.6958  -1.5975   11.028  -0.4761   10.745   46.144   23.000   46.619   23.148 -0.4744797 32.63222 
1 1 1   11   34    8 o   55.632   25.141   9.2461   7.7300   0.2052   10.798   18.749   11.071   46.862   23.258   62.901   29.046 -16.03906 37.21039 
1 1 1   11   34    9 o   46.169   22.105   2.3937   7.5299  -5.8116   10.641   10.623   10.657   43.074   21.633   54.494   26.146 -11.42021 33.93503 
1 1 1   11   34   10 o   39.973   19.716  -3.5281   7.3313  -0.0036   10.482  -6.9035   10.258   45.995   22.843   41.860   21.052 4.135437 31.06457 
1 1 1   11   34   11 o   41.804   20.452  -1.2665   7.3955  -6.4777   10.484   3.8943   10.434   42.051   21.166   48.220   23.732 -6.169483 31.79943 
1 1 1   11   34   12 o   39.324   19.527  -4.4064   7.6473   11.111   10.550 -21.5847   11.101   53.459   25.743   36.637   18.754 16.82185 31.85021 
1 1 1   11   34   13 o   47.291   22.605   4.5862   7.8038   8.5293   10.994   0.5825   11.079   50.481   24.747   45.435   22.710 5.046005 33.58789 
1 1 1   11   34   14 o   41.384   20.655  -2.9307   9.0160   7.5160   10.674 -28.9400   16.842   49.134   24.147   39.995   20.605 9.139210 31.74352 
1 1 1   11   34   15 o   46.107   22.248   4.5512   7.9747   6.0896   10.954   2.8167   11.632   47.388   23.503   45.597   22.861 1.790695 32.78751 
1 1 1   11   34   16 o   48.442   24.031   9.3730   11.473   0.0000   0.0000   9.3730   11.473  ?   ?    48.442   24.031 0.000000 24.03103 
1 1 1   11   34   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   35    0 o   48.509   23.565   6.0858   9.3404 -13.8100   17.417   14.118   11.066   43.496   22.343   54.462   26.261 -10.96575 34.47977 
1 1 1   11   35    1 o   52.837   25.080   10.463   9.2679   31.570   17.767   2.5736   10.863   57.218   28.623   46.216   23.002 11.00205 36.72045 
1 1 1   11   35    2 o   44.344   21.461   2.1672   7.5608   2.4371   10.648   1.8928   10.737   46.039   22.891   45.741   22.783 0.2981873 32.29646 
1 1 1   11   35    3 o   49.057   23.280   6.4613   7.9772   5.1296   11.634   7.6428   10.959   47.777   23.784   49.413   24.320 -1.635918 34.01625 
1 1 1   11   35    4 o   39.993   19.844  -3.0707   7.8418 -13.7409   11.250   7.0127   10.937   38.864   19.808   48.859   24.095 -9.994781 31.19192 
1 1 1   11   35    5 o   48.615   23.022   6.2476   7.7213 -12.2304   10.705   26.282   11.147   38.709   19.690   66.839   30.200 -28.13052 36.05177 
1 1 1   11   35    6 o   41.753   20.508  -0.3030   7.6663  -3.6355   11.016   2.8263   10.675   42.529   21.443   45.795   22.794 -3.265690 31.29522 
1 1 1   11   35    7 o   37.361   18.684  -5.6953   7.5420 -13.2139   11.184   0.5762   10.214   38.607   19.684   44.042   21.982 -5.435364 29.50661 
1 1 1   11   35    8 o   45.653   22.105   4.1777   8.0443   5.4907   11.399   2.8751   11.354   46.909   23.382   45.464   22.764 1.444916 32.63293 
1 1 1   11   35    9 o   59.787   27.346   18.331   9.4925  -0.0666   16.443   27.527   11.625   45.058   23.047   64.032   29.637 -18.97375 37.54332 
1 1 1   11   35   10 o   48.776   23.672   8.6799   9.3658  -1.3240   16.917   13.102   11.247   44.407   22.762   50.921   24.976 -6.513672 33.79251 
1 1 1   11   35   11 o   32.948   16.956 -29.0289   10.940   0.0000   0.0000 -29.0289   10.940  ?   ?    32.948   16.956 0.000000 16.95645 
1 1 1   11   35   12 o   47.041   23.944   12.610   16.025   0.0000   0.0000   12.610   16.025  ?   ?    47.041   23.944 0.000000 23.94428 
1 1 1   11   35   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   35   14 o   31.779   16.377 -29.6015   10.764 -29.6015   10.764   0.0000   0.0000   31.779   16.377  ?   ?  0.000000 16.37697 
1 1 1   11   36    0 o   38.428   19.521  -6.4593   10.273 -20.7400   14.556   7.7140   14.501   37.668   19.394   44.909   22.851 -7.241245 29.97157 
1 1 1   11   36    1 o   53.867   26.116   20.549   11.320   12.990   15.475   29.250   16.604   46.422   23.620   51.262   25.904 -4.839920 35.05612 
1 1 1   11   36    2 o   36.881   18.819 -10.7261   10.387  -2.1020   14.558 -19.6700   14.825   41.957   21.477   38.033   19.581 3.923721 29.06385 
1 1 1   11   36    3 o   39.518   20.307 -11.6100   14.558 -11.6100   14.558   0.0000   0.0000   39.518   20.307  ?   ?  0.000000 20.30683 
1 1 1   11   36    4 o   45.586   23.271   11.770   16.045   11.770   16.045   0.0000   0.0000   45.586   23.271  ?   ?  0.000000 23.27116 
1 1 1   11   36    5 o   41.262   21.172  -3.8330   15.057  -3.8330   15.057   0.0000   0.0000   41.262   21.172  ?   ?  0.000000 21.17246 
1 1 1   11   36    6 o   51.612   26.076   33.920   16.777   33.920   16.777   0.0000   0.0000   51.612   26.076  ?   ?  0.000000 26.07611 
1 1 1   11   36    7 o   48.809   24.753   25.270   16.035   25.270   16.035   0.0000   0.0000   48.809   24.753  ?   ?  0.000000 24.75276 
1 1 1   11   36    8 o   33.694   17.186 -11.6899   8.6015 -15.7950   10.205  -1.6170   15.985   34.257   17.567   41.134   21.142 -6.877548 27.48778 
1 1 1   11   36    9 o   34.581   17.626  -9.8809   8.9126  -3.8215   11.267 -20.0100   14.568   38.749   19.756   36.594   18.867 2.155094 27.31794 
1 1 1   11   36   10 o   32.870   16.808 -12.9529   8.6853  -9.5545   10.733 -19.4000   14.783   36.144   18.497   36.491   18.822 -0.3472672 26.38995 
1 1 1   11   36   11 o   41.892   21.566   9.4960   17.915   9.4960   17.915   0.0000   0.0000   41.892   21.566  ?   ?  0.000000 21.56617 
1 1 1   11   37    0 o   35.761   18.039  -2.0429   7.8434  -7.4684   10.687   4.2918   11.548   35.525   18.202   39.700   20.219 -4.174526 27.20493 
1 1 1   11   37    1 o   55.448   25.565   21.077   8.5283   23.069   12.203   19.175   11.924   47.387   23.708   45.779   22.979 1.607822 33.01614 
1 1 1   11   37    2 o   43.241   21.276   9.2088   8.3696   4.6628   11.706   13.964   11.972   39.772   20.265   43.278   21.885 -3.506390 29.82648 
1 1 1   11   37    3 o   53.918   25.023   19.661   8.3685   15.624   11.885   23.631   11.785   43.922   22.162   48.098   23.942 -4.176651 32.62476 
1 1 1   11   37    4 o   42.178   20.806   8.0621   8.1751   0.0749   11.419   16.461   11.709   37.943   19.391   44.238   22.280 -6.294445 29.53635 
1 1 1   11   37    5 f   47.705   22.984   15.032   8.4368   13.048   11.974   16.989   11.889   42.296   21.444   44.023   22.207 -1.726631 30.87005 
1 1 1   12    0    0 o  900.777   15.268  1053.96   35.602  1053.96   35.602  1053.96   35.602  900.777   15.268  900.777   15.268 0.000000 0.000000 
1 1 1   12    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0    2 o  465.043   11.766  280.985   14.153  280.985   14.153  280.985   14.153  465.043   11.766  465.043   11.766 0.000000 0.000000 
1 1 1   12    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0    4 o  444.495   11.361  256.705   13.061  256.705   13.061  256.705   13.061  444.495   11.361  444.495   11.361 0.000000 0.000000 
1 1 1   12    0    5 o  453.523   11.425  267.238   13.403  267.238   13.403  267.238   13.403  453.523   11.425  453.523   11.425 0.000000 0.000000 
1 1 1   12    0    6 o  1293.01   19.429  2175.11   65.041  2175.11   65.041  2175.11   65.041  1293.01   19.429  1293.01   19.429 0.000000 0.000000 
1 1 1   12    0    7 o  474.220   11.777  292.228   14.446  292.228   14.446  292.228   14.446  474.220   11.777  474.220   11.777 0.000000 0.000000 
1 1 1   12    0    8 o  422.469   11.662  232.037   12.740  232.037   12.740  232.037   12.740  422.469   11.662  422.469   11.662 0.000000 0.000000 
1 1 1   12    0    9 o  381.874   11.796  189.719   11.644  189.719   11.644  189.719   11.644  381.874   11.796  381.874   11.796 0.000000 0.000000 
1 1 1   12    0   10 o  445.519   12.142  258.122   13.989  258.122   13.989  258.122   13.989  445.519   12.142  445.519   12.142 0.000000 0.000000 
1 1 1   12    0   11 o  895.571   15.400  1043.04   35.702  1043.04   35.702  1043.04   35.702  895.571   15.400  895.571   15.400 0.000000 0.000000 
1 1 1   12    0   12 o  867.745   15.239  979.475   34.230  979.475   34.230  979.475   34.230  867.745   15.239  867.745   15.239 0.000000 0.000000 
1 1 1   12    0   13 o  452.924   12.648  266.996   14.812  266.996   14.812  266.996   14.812  452.924   12.648  452.924   12.648 0.000000 0.000000 
1 1 1   12    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0   15 o  353.208   11.892  162.587   10.852  162.587   10.852  162.587   10.852  353.208   11.892  353.208   11.892 0.000000 0.000000 
1 1 1   12    0   16 o  997.059   16.414  1296.56   42.367  1296.56   42.367  1296.56   42.367  997.059   16.414  997.059   16.414 0.000000 0.000000 
1 1 1   12    0   17 o  394.617   12.154  203.038   12.397  203.038   12.397  203.038   12.397  394.617   12.154  394.617   12.154 0.000000 0.000000 
1 1 1   12    0   18 o  159.730   21.662   35.240   8.4978   35.240   8.4978   35.240   8.4978  159.730   21.662  159.730   21.662 0.000000 0.000000 
1 1 1   12    0   19 o  233.344   18.530   72.650   11.038   72.650   11.038   72.650   11.038  233.344   18.530  233.344   18.530 0.000000 0.000000 
1 1 1   12    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0   21 o  133.730   18.598   24.779   6.0862   24.779   6.0862   24.779   6.0862  133.730   18.598  133.730   18.598 0.000000 0.000000 
1 1 1   12    0   22 o  411.700   12.696  221.830   13.510  221.830   13.510  221.830   13.510  411.700   12.696  411.700   12.696 0.000000 0.000000 
1 1 1   12    0   23 o  106.069   23.917   16.943   5.7332   16.943   5.7332   16.943   5.7332  106.069   23.917  106.069   23.917 0.000000 0.000000 
1 1 1   12    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0   25 o  126.483   22.436   23.145   6.6609   23.145   6.6609   23.145   6.6609  126.483   22.436  126.483   22.436 0.000000 0.000000 
1 1 1   12    0   26 o   90.918   29.966   14.263   6.2668   14.263   6.2668   14.263   6.2668   90.918   29.966   90.918   29.966 0.000000 0.000000 
1 1 1   12    0   27 o  302.312   13.891  121.071   10.825  121.071   10.825  121.071   10.825  302.312   13.891  302.312   13.891 0.000000 0.000000 
1 1 1   12    0   28 o   25.524   18.301  -8.7259   5.6996  -8.7259   5.6996  -8.7259   5.6996   25.524   18.301   25.524   18.301 0.000000 0.000000 
1 1 1   12    0   29 o  136.650   22.193   27.135   7.2340   27.135   7.2340   27.135   7.2340  136.650   22.193  136.650   22.193 0.000000 0.000000 
1 1 1   12    0   30 o  157.962   22.106   35.892   8.5376   35.892   8.5376   35.892   8.5376  157.962   22.106  157.962   22.106 0.000000 0.000000 
1 1 1   12    0   31 o   88.404   33.879   15.166   7.3289   15.166   7.3289   15.166   7.3289   88.404   33.879   88.404   33.879 0.000000 0.000000 
1 1 1   12    0   32 o   44.697   28.178   2.4607   6.9095   2.4607   6.9095   2.4607   6.9095   44.697   28.178   44.697   28.178 0.000000 0.000000 
1 1 1   12    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0   34 o  113.898   34.194   23.611   8.7913   23.611   8.7913   23.611   8.7913  113.898   34.194  113.898   34.194 0.000000 0.000000 
1 1 1   12    0   35 o   42.562   28.115   0.8128   8.0301   0.8128   8.0301   0.8128   8.0301   42.562   28.115   42.562   28.115 0.000000 0.000000 
1 1 1   12    0   36 o   33.819   23.908  -7.2125   8.5306  -7.2125   8.5306  -7.2125   8.5306   33.819   23.908   33.819   23.908 0.000000 0.000000 
1 1 1   12    0   37 o   87.026   46.414   24.860   14.226   24.860   14.226   24.860   14.226   87.026   46.414   87.026   46.414 0.000000 0.000000 
1 1 1   12    0   38 o  189.022   22.650   54.996   10.669   54.996   10.669   54.996   10.669  189.022   22.650  189.022   22.650 0.000000 0.000000 
1 1 1   12    0   39 o  206.096   21.612   65.158   11.247   65.158   11.247   65.158   11.247  206.096   21.612  206.096   21.612 0.000000 0.000000 
1 1 1   12    0   40 o   42.557   29.081   1.1288   10.055   1.1288   10.055   1.1288   10.055   42.557   29.081   42.557   29.081 0.000000 0.000000 
1 1 1   12    0   41 o   63.525   37.362   15.227   10.428   15.227   10.428   15.227   10.428   63.525   37.362   63.525   37.362 0.000000 0.000000 
1 1 1   12    1    0 o  996.367   11.455  1288.41   29.564  1255.53   40.980  1324.10   42.692  982.581   16.101  1009.00   16.335 -26.41583 22.93598 
1 1 1   12    1    1 o  1117.14   12.331  1620.24   35.683  1615.09   50.344  1625.43   50.584  1114.03   17.446  1117.58   17.474 -3.554077 24.69206 
1 1 1   12    1    2 o  628.701   10.510  512.830   17.115  509.300   29.951  514.542   20.856  625.382   18.489  629.483   12.791 -4.101135 22.48220 
1 1 1   12    1    3 o  320.782   11.750  133.570   9.7637  125.400   14.098  141.100   13.535  309.890   17.636  329.398   15.863 -19.50851 23.72056 
1 1 1   12    1    4 o  473.737   12.001  291.356   14.727  262.900   20.372  322.500   21.313  449.409   17.500  497.886   16.526 -48.47647 24.06997 
1 1 1   12    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1    7 o  460.974   11.456  275.867   13.679  275.867   13.679   0.0000   0.0000  460.974   11.456  ?   ?  0.000000 11.45601 
1 1 1   12    1    8 o  760.977   9.8645  751.374   19.444  719.844   26.637  787.344   28.450  744.187   13.818  778.237   14.113 -34.05017 19.75138 
1 1 1   12    1    9 o  342.891   11.486  152.671   10.201  152.671   10.201   0.0000   0.0000  342.891   11.486  ?   ?  0.000000 11.48559 
1 1 1   12    1   10 o  299.672   8.5244  116.484   6.6170  117.822   9.2761  115.099   9.4418  301.174   11.890  297.646   12.246 3.527710 17.06909 
1 1 1   12    1   11 o  650.872   9.4545  549.753   15.940  568.649   22.883  531.942   22.217  661.315   13.358  639.605   13.410 21.71014 18.92781 
1 1 1   12    1   12 o  173.985   15.458   39.733   6.8939   0.0000   0.0000   39.733   6.8939  ?   ?   173.985   15.458 0.000000 15.45796 
1 1 1   12    1   13 o  450.917   12.730  264.434   14.869  264.434   14.869   0.0000   0.0000  450.917   12.730  ?   ?  0.000000 12.72983 
1 1 1   12    1   14 o  539.617   10.559  378.311   14.760   0.0000   0.0000  378.311   14.760  ?   ?   539.617   10.559 0.000000 10.55946 
1 1 1   12    1   15 o  402.667   10.525  210.720   10.978  227.400   18.396  201.495   13.681  417.143   17.025  393.331   13.428 23.81293 21.68339 
1 1 1   12    1   16 o  347.343   9.8690  156.786   8.8793  191.800   16.536  142.601   10.525  382.975   16.669  330.950   12.278 52.02521 20.70290 
1 1 1   12    1   17 f  414.767   9.8656  223.658   10.599  205.500   17.837  233.569   13.178  395.990   17.390  423.468   12.014 -27.47873 21.13615 
1 1 1   12    1   18 f  471.304   10.103  288.983   12.334  297.800   21.430  284.615   15.082  476.360   17.368  467.184   12.463 9.176300 21.37691 
1 1 1   12    1   19 o  256.376   10.515   85.593   6.9831   86.724   8.7841   83.650   11.511  257.329   13.223  251.588   17.777 5.741806 22.15585 
1 1 1   12    1   20 o  487.338   8.9974  308.961   11.358  306.185   16.018  311.768   16.107  484.059   12.775  488.468   12.730 -4.408417 18.03496 
1 1 1   12    1   21 o  248.763   9.4904   80.581   6.1153   81.789   8.8766   79.491   8.4369  249.507   13.788  246.092   13.285 3.414963 19.14650 
1 1 1   12    1   22 o  136.132   12.965   24.476   4.5166   22.119   6.3831   26.840   6.3918  127.634   19.961  141.452   17.842 -13.81790 26.77238 
1 1 1   12    1   23 o  233.051   11.435   70.994   6.9030   74.742   8.6742   64.520   11.399  238.152   14.124  219.167   20.311 18.98500 24.73910 
1 1 1   12    1   24 o  254.826   20.468   87.330   13.396   0.0000   0.0000   87.330   13.396  ?   ?   254.826   20.468 0.000000 20.46768 
1 1 1   12    1   25 o  301.878   9.4839  118.936   7.4160  116.615   10.405  121.332   10.573  297.758   13.490  303.738   13.438 -5.979889 19.04137 
1 1 1   12    1   26 o  126.565   14.456   21.415   4.6542   19.927   6.8133   22.717   6.3729  119.362   22.869  128.761   19.737 -9.399185 30.20820 
1 1 1   12    1   27 o  192.762   12.001   49.040   5.9625   53.244   8.5517   45.063   8.3176  199.175   16.730  182.702   17.801 16.47380 24.42951 
1 1 1   12    1   28 o  266.381   10.090   93.007   6.9624   91.333   9.9790   94.594   9.7189  261.818   14.775  266.789   14.114 -4.970306 20.43257 
1 1 1   12    1   29 o  212.629   11.409   59.705   6.2607   60.194   8.8574   59.216   8.8506  211.411   16.300  209.611   16.432 1.799896 23.14557 
1 1 1   12    1   30 o  162.156   13.266   35.112   5.5235   27.963   7.6532   42.885   7.9799  141.064   21.635  177.386   17.600 -36.32176 27.88953 
1 1 1   12    1   31 o  110.192   18.841   16.955   5.1847   21.796   7.4903   12.502   7.1837  122.593   24.445   91.921   27.802 30.67175 37.02078 
1 1 1   12    1   32 o  140.812   16.484   27.130   5.8986   24.341   8.2982   29.978   8.3863  128.538   25.819  144.592   23.174 -16.05426 34.69387 
1 1 1   12    1   33 o  125.444   36.002   26.050   12.311   0.0000   0.0000   26.050   12.311  ?   ?   125.444   36.002 0.000000 36.00231 
1 1 1   12    1   34 o  178.567   14.729   43.312   6.7520   42.065   9.5125   44.578   9.5854  171.294   21.943  176.822   21.361 -5.528534 30.62337 
1 1 1   12    1   35 o   71.180   25.197   7.0814   5.8088   9.8792   8.2238   4.2955   8.2061   81.981   29.860   68.429   28.334 13.55250 41.16313 
1 1 1   12    1   36 o   88.436   28.543   12.389   7.4445   9.0093   9.0402   19.510   13.122   79.731   30.816  104.171   37.752 -24.43928 48.73265 
1 1 1   12    1   37 o  176.257   19.163   44.475   8.6082   34.880   14.804   49.377   10.581  134.501   39.737  182.234   22.922 -47.73293 45.87445 
1 1 1   12    1   38 o  269.923   12.539   98.571   8.7667   96.372   12.473  100.718   12.324  259.776   18.661  266.500   17.958 -6.723450 25.89802 
1 1 1   12    1   39 o  165.511   17.747   39.201   7.4900   48.626   10.847   30.614   10.355  177.746   24.188  134.252   30.473 43.49394 38.90608 
1 1 1   12    1   40 o  230.988   14.617   74.276   8.7004   61.677   12.390   86.533   12.220  198.364   24.644  242.840   19.594 -44.47552 31.48448 
1 1 1   12    1   41 o  120.466   24.445   23.380   7.3674   31.941   10.563   15.271   10.281  133.247   31.161   89.044   33.217 44.20359 45.54560 
1 1 1   12    2    0 o  375.824   11.671  183.330   11.361   0.0000   0.0000  183.330   11.361  ?   ?   375.824   11.671 0.000000 11.67080 
1 1 1   12    2    1 o  459.942   12.359  274.656   14.724  233.400   20.143  322.000   21.578  423.368   18.368  497.500   16.744 -74.13208 24.85432 
1 1 1   12    2    2 o  526.175   12.600  359.496   17.173  328.100   23.833  393.400   24.767  501.957   18.330  549.791   17.391 -47.83417 25.26764 
1 1 1   12    2    3 f  768.587   14.221  767.616   28.312  756.300   39.980  779.000   40.099  761.605   20.266  773.011   20.026 -11.40594 28.49138 
1 1 1   12    2    4 o  598.360   12.974  465.012   20.109  433.600   27.629  500.400   29.325  576.963   18.487  619.857   18.264 -42.89410 25.98727 
1 1 1   12    2    5 o  558.253   12.760  404.756   18.451  413.100   26.496  396.900   25.709  563.175   18.163  552.053   17.978 11.12170 25.55618 
1 1 1   12    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2    7 o  822.331   14.655  879.257   31.217   0.0000   0.0000  879.257   31.217  ?   ?   822.331   14.655 0.000000 14.65516 
1 1 1   12    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2    9 o  532.080   8.7305  367.227   12.033  369.357   16.777  364.970   17.268  533.243   12.146  530.011   12.578 3.232300 17.48497 
1 1 1   12    2   10 o  470.523   8.6623  287.189   10.558  292.252   14.809  281.955   15.056  474.302   12.054  465.821   12.478 8.481628 17.34875 
1 1 1   12    2   11 o  376.428   8.6289  183.827   8.4137  188.740   11.831  178.800   11.968  381.130   11.984  370.910   12.457 10.21954 17.28523 
1 1 1   12    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2   13 o  421.573   10.155  230.799   11.089   0.0000   0.0000  230.799   11.089  ?   ?   421.573   10.155 0.000000 10.15481 
1 1 1   12    2   14 o  405.659   8.7793  213.599   9.2251  208.200   17.861  215.563   10.773  399.243   17.271  407.363   10.210 -8.119995 20.06285 
1 1 1   12    2   15 o  364.616   13.314  173.150   12.575   0.0000   0.0000  173.150   12.575  ?   ?   364.616   13.314 0.000000 13.31450 
1 1 1   12    2   16 o  525.726   9.3022  359.064   12.668  410.400   26.439  343.768   14.432  559.620   18.239  514.125   10.837 45.49487 21.21582 
1 1 1   12    2   17 f  236.508   11.624   72.837   7.1211   0.0000   0.0000   72.837   7.1211  ?   ?   236.508   11.624 0.000000 11.62390 
1 1 1   12    2   18 o  168.778   10.639   37.226   4.6273   36.644   6.7780   37.733   6.3326  166.532   15.906  169.274   14.585 -2.741898 21.58064 
1 1 1   12    2   19 o  241.004   10.495   75.641   6.5519   80.101   8.3220   68.370   10.626  247.304   13.037  227.185   18.210 20.11865 22.39574 
1 1 1   12    2   20 o  318.173   17.072  133.600   14.019   0.0000   0.0000  133.600   14.019  ?   ?   318.173   17.072 0.000000 17.07218 
1 1 1   12    2   21 o  101.032   16.231   13.752   4.1039   24.425   6.3061   5.9107   5.4052  134.744   18.560   69.725   24.336 65.01862 30.60571 
1 1 1   12    2   22 o  258.915   13.293   88.055   8.8851   0.0000   0.0000   88.055   8.8851  ?   ?   258.915   13.293 0.000000 13.29290 
1 1 1   12    2   23 o  216.909   15.056   62.206   8.4070   89.500   13.628   45.440   10.681  258.265   20.542  182.579   23.102 75.68616 30.91403 
1 1 1   12    2   24 o  271.293   10.949   96.218   7.6939   99.160   13.037   94.646   9.5305  272.454   18.584  268.005   13.775 4.449219 23.13284 
1 1 1   12    2   25 o  115.354   16.084   17.933   4.6752   17.815   6.7357   18.043   6.4943  112.631   23.831  113.673   22.849 -1.041214 33.01461 
1 1 1   12    2   26 f  392.156   9.3066  200.836   9.4536  198.318   13.604  203.188   13.147  387.904   13.539  392.943   12.916 -5.039551 18.71193 
1 1 1   12    2   27 o   94.737   20.390   12.564   4.8553   17.897   7.0943   7.8651   6.6594  111.856   25.101   77.660   27.017 34.19642 36.87839 
1 1 1   12    2   28 o  233.958   10.899   71.896   6.6048   70.895   9.7454   72.747   8.9824  229.734   16.486  233.477   14.931 -3.742233 22.24229 
1 1 1   12    2   29 o  264.092   10.508   91.635   7.1884   85.564   10.196   97.634   10.136  252.569   15.663  270.498   14.519 -17.92868 21.35668 
1 1 1   12    2   30 o  256.202   10.637   86.378   7.0591   95.765   10.268   77.965   9.7208  267.374   14.885  240.734   15.674 26.64066 21.61567 
1 1 1   12    2   31 o  126.169   17.473   21.920   5.5573   22.482   7.7098   21.312   8.0177  124.326   24.810  120.105   26.484 4.220627 36.28914 
1 1 1   12    2   32 o  346.742   10.422  158.504   9.3604  164.451   13.188  152.467   13.287  350.288   14.535  336.725   15.234 13.56244 21.05564 
1 1 1   12    2   33 o  102.020   29.598   16.121   8.2801   0.0000   0.0000   16.121   8.2801  ?   ?   102.020   29.598 0.000000 29.59820 
1 1 1   12    2   34 o  161.698   19.662   36.862   8.0660   39.267   10.006   32.400   13.630  163.592   24.357  137.464   37.319 26.12825 44.56383 
1 1 1   12    2   35 o  100.398   27.729   15.813   7.4493   22.673   8.9212   0.0146   13.538  119.622   29.075   73.413   33.215 46.20933 44.14339 
1 1 1   12    2   36 o   82.145   28.061   10.400   7.1710   9.5715   8.6957   12.160   12.678   80.684   30.458   89.267   35.866 -8.583656 47.05356 
1 1 1   12    2   37 o  134.273   20.394   26.300   6.8701   25.637   9.4762   27.034   9.9743  124.954   29.712  127.604   30.577 -2.649673 42.63513 
1 1 1   12    2   38 o  211.539   16.994   63.032   9.2332   51.980   16.596   67.986   11.112  165.234   39.342  216.412   20.049 -51.17786 44.15583 
1 1 1   12    2   39 o  167.933   17.649   40.334   7.5623   38.479   10.880   42.066   10.518  153.332   28.442  163.540   25.675 -10.20784 38.31625 
1 1 1   12    2   40 f   84.351   27.996   12.030   7.1398   8.5982   10.169   15.367   10.027   76.281   31.559   91.132   33.005 -14.85123 45.66538 
1 1 1   12    2   41 o  153.583   23.168   37.017   8.9303   26.443   10.959   57.920   15.408  116.154   34.152  174.150   35.363 -57.99572 49.16219 
1 1 1   12    3    0 o  764.416   11.609  758.466   22.986  795.600   41.784  742.351   27.526  781.048   20.653  755.864   14.059 25.18372 24.98396 
1 1 1   12    3    1 o  464.727   12.702  280.456   15.291  226.100   20.791  344.500   22.567  416.554   19.268  514.535   16.932 -97.98151 25.65108 
1 1 1   12    3    2 o  712.303   13.938  659.241   25.716  668.900   36.984  650.200   35.782  716.304   19.933  706.306   19.558 9.997559 27.92538 
1 1 1   12    3    3 o  685.227   13.776  610.057   24.452  597.600   34.452  622.700   34.710  677.086   19.644  691.217   19.386 -14.13104 27.59887 
1 1 1   12    3    4 o  161.268   17.328   34.241   7.1251   29.200   10.625   38.360   9.6049  146.625   29.002  169.950   22.361 -23.32449 36.62185 
1 1 1   12    3    5 o  240.269   14.051   75.281   8.7068   60.070   12.350   90.310   12.276  213.226   22.710  262.689   18.153 -49.46300 29.07408 
1 1 1   12    3    6 o  390.528   12.729  198.105   12.876  216.200   18.794  182.100   17.676  407.404   17.809  373.844   18.253 33.56042 25.50215 
1 1 1   12    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    3    8 o  372.637   12.228  180.367   11.803   0.0000   0.0000  180.367   11.803  ?   ?   372.637   12.228 0.000000 12.22842 
1 1 1   12    3    9 f  568.375   8.9304  419.079   13.148  416.802   18.142  421.599   19.081  566.406   12.365  569.572   12.933 -3.166992 17.89343 
1 1 1   12    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    3   11 o  540.668   12.198  379.897   17.083  423.500   25.602  344.900   22.936  569.861   17.344  514.293   17.217 55.56805 24.43856 
1 1 1   12    3   12 o  281.376   8.6888  102.731   6.3328  113.700   12.581   99.009   7.3289  294.841   16.541  276.131   10.246 18.71027 19.45707 
1 1 1   12    3   13 o  346.964   8.6979  156.232   7.8172  170.600   15.704  151.499   9.0133  361.572   16.767  341.538   10.188 20.03394 19.61954 
1 1 1   12    3   14 o  605.839   9.3569  476.599   14.684  502.500   29.719  468.234   16.889  619.762   18.512  600.229   10.863 19.53290 21.46391 
1 1 1   12    3   15 o  339.072   13.353  149.768   11.728   0.0000   0.0000  149.768   11.728  ?   ?   339.072   13.353 0.000000 13.35305 
1 1 1   12    3   16 o  197.287   12.432   50.893   6.3206   0.0000   0.0000   50.893   6.3206  ?   ?   197.287   12.432 0.000000 12.43177 
1 1 1   12    3   17 f  150.441   14.393   29.825   5.5401   0.0000   0.0000   29.825   5.5401  ?   ?   150.441   14.393 0.000000 14.39253 
1 1 1   12    3   18 o  458.956   9.1767  273.870   10.910  330.000   22.755  257.118   12.431  501.240   17.526  444.367   10.800 56.87250 20.58660 
1 1 1   12    3   19 o  162.490   13.004   34.708   5.4273   29.390   10.021   36.915   6.4562  145.665   27.569  167.199   15.069 -21.53450 31.41822 
1 1 1   12    3   20 o  383.024   10.129  191.116   10.050  188.017   12.493  196.800   16.918  379.273   12.716  386.688   16.890 -7.414642 21.14182 
1 1 1   12    3   21 o  104.366   18.173   14.786   4.7344   18.082   6.1954   10.160   7.3403  114.769   21.633   87.317   28.358 27.45125 35.66763 
1 1 1   12    3   22 o  194.026   12.308   49.444   6.1539   48.239   7.7854   51.450   10.047  190.756   15.901  195.736   20.101 -4.980118 25.62994 
1 1 1   12    3   23 o   93.425   21.454   12.123   5.0823   20.680   10.638   9.5925   5.7852  119.655   33.169   83.483   24.882 36.17257 41.46485 
1 1 1   12    3   24 o  113.800   17.759   17.571   5.0639   9.6850   8.5601   21.816   6.2807   87.007   30.610  126.440   19.829 -39.43256 36.47173 
1 1 1   12    3   25 o  200.984   11.069   53.038   5.7406   58.989   8.3995   47.822   7.8637  210.659   15.502  189.334   16.190 21.32503 22.41477 
1 1 1   12    3   26 o  129.883   14.717   22.579   4.8640   17.453   7.2833   26.704   6.5348  110.478   25.901  140.191   18.443 -29.71207 31.79624 
1 1 1   12    3   27 o  240.360   15.667   77.136   9.7007   77.136   9.7007   0.0000   0.0000  240.360   15.667  ?   ?  0.000000 15.66653 
1 1 1   12    3   28 o   78.633   22.126   8.7372   4.6965   13.176   6.9136   4.9339   6.3997   95.247   26.861   67.905   26.010 27.34264 37.39013 
1 1 1   12    3   29 o  106.824   19.239   15.910   5.1277   17.206   7.3704   14.693   7.1386  108.340   26.486   99.996   26.950 8.343384 37.78609 
1 1 1   12    3   30 o  222.864   11.731   65.773   6.7484   72.155   9.8912   60.215   9.2302  230.943   16.646  210.647   17.063 20.29597 23.83783 
1 1 1   12    3   31 o  100.299   20.935   14.346   5.2633   17.950   7.7538   11.266   7.1675  109.553   27.395   87.721   27.975 21.83224 39.15528 
1 1 1   12    3   32 o  203.772   15.203   56.128   7.9668   58.605   10.230   52.310   12.701  205.577   19.441  188.831   26.711 16.74643 33.03682 
1 1 1   12    3   33 o  122.447   19.440   21.154   5.9597   19.961   8.8240   22.155   8.0816  113.237   29.711  121.443   26.440 -8.206635 39.77249 
1 1 1   12    3   34 o  122.263   23.738   22.076   7.2467   22.335   9.0360   21.610   12.131  119.243   29.433  112.607   36.447 6.635803 46.84706 
1 1 1   12    3   35 o   85.438   27.723   11.250   7.0158   12.699   8.5837   8.3350   12.177   89.729   30.701   82.939   34.442 6.789932 46.13912 
1 1 1   12    3   36 o  192.572   14.767   50.859   7.3101   52.172   10.289   49.521   10.388  189.555   21.325  183.760   22.279 5.795486 30.84004 
1 1 1   12    3   37 o  114.417   23.201   19.861   6.6410   21.669   9.6294   18.221   9.1710  112.608   31.680  103.326   31.450 9.282303 44.63999 
1 1 1   12    3   38 f   94.135   28.879   14.783   7.7135   40.010   14.549   4.9200   9.0973  144.952   38.209   69.482   29.370 75.47037 48.19247 
1 1 1   12    3   39 o  108.561   25.384   18.847   7.0103   28.512   10.449   10.936   9.4535  127.604   31.744   81.768   31.538 45.83613 44.74721 
1 1 1   12    3   40 o  199.912   16.031   56.577   8.2316   56.784   11.951   56.390   11.354  189.539   24.949  190.796   23.469 -1.256485 34.25243 
1 1 1   12    3   41 o  159.923   22.280   39.698   8.9786   52.150   11.368   19.050   14.639  179.704   25.107   92.511   38.027 87.19303 45.56829 
1 1 1   12    4    0 o  766.663   11.515  762.959   22.868   0.0000   0.0000  762.959   22.868  ?   ?   766.663   11.515 0.000000 11.51518 
1 1 1   12    4    1 o  997.599   16.552  1294.92   42.772  1280.00   60.335  1310.00   60.645  989.498   23.540  1001.09   23.387 -11.58893 33.18233 
1 1 1   12    4    2 o  298.420   13.586  115.702   10.502  121.000   15.589  111.300   14.211  303.990   19.907  291.656   18.913 12.33334 27.45860 
1 1 1   12    4    3 o  487.363   13.036  308.534   16.457  325.000   24.078  294.100   22.544  499.438   18.612  475.147   18.317 24.29074 26.11328 
1 1 1   12    4    4 o  686.542   13.973  612.563   24.849  592.000   34.821  633.900   35.470  673.717   19.953  697.228   19.640 -23.51025 27.99745 
1 1 1   12    4    5 o  278.164   13.885  100.563   10.005  102.300   14.511   98.990   13.812  279.303   20.193  274.834   19.529 4.468964 28.09189 
1 1 1   12    4    6 o  269.344   14.471   94.595   10.059  106.500   14.514   83.590   13.955  285.047   19.779  252.054   21.582 32.99263 29.27462 
1 1 1   12    4    7 f  277.511   14.499  100.418   10.386   73.810   14.545  128.100   14.836  236.213   24.110  312.944   18.383 -76.73019 30.31886 
1 1 1   12    4    8 o  304.848   12.626  120.748   9.9697   0.0000   0.0000  120.748   9.9697  ?   ?   304.848   12.626 0.000000 12.62552 
1 1 1   12    4    9 o  336.342   11.212  146.905   9.7678  146.905   9.7678   0.0000   0.0000  336.342   11.212  ?   ?  0.000000 11.21158 
1 1 1   12    4   10 o  446.667   11.524  259.166   13.333  309.900   20.410  221.400   17.609  487.737   16.155  412.202   16.492 75.53461 23.08653 
1 1 1   12    4   11 o  359.455   8.4569  167.629   7.8742  181.000   15.536  163.008   9.1342  372.685   16.094  354.349   9.9516 18.33548 18.92200 
1 1 1   12    4   12 o  551.380   9.0297  394.578   12.897  394.100   25.447  394.742   14.960  549.370   17.882  551.296   10.476 -1.925781 20.72483 
1 1 1   12    4   13 o  420.663   8.7039  229.671   9.4842  255.800   19.308  221.362   10.888  442.669   16.838  412.823   10.182 29.84586 19.67773 
1 1 1   12    4   14 o  208.790   9.8120   56.627   5.3066   68.660   10.898   52.887   6.0755  228.307   18.590  201.317   11.701 26.99016 21.96570 
1 1 1   12    4   15 f  280.808   14.384  103.109   10.428   0.0000   0.0000  103.109   10.428  ?   ?   280.808   14.384 0.000000 14.38414 
1 1 1   12    4   16 o  404.305   10.511  212.600   11.008   0.0000   0.0000  212.600   11.008  ?   ?   404.305   10.511 0.000000 10.51090 
1 1 1   12    4   17 o  336.292   9.2820  147.012   8.0855  159.900   16.532  142.959   9.2698  348.393   18.384  331.409   10.798 16.98367 21.32089 
1 1 1   12    4   18 o  118.748   15.005   18.742   4.5124   13.510   9.4786   20.276   5.1311  100.334   32.189  123.273   16.482 -22.93980 36.16353 
1 1 1   12    4   19 o  118.586   15.784   18.765   4.7279   8.6060   9.6538   21.970   5.4228   87.353   32.267  128.263   16.719 -40.91069 36.34161 
1 1 1   12    4   20 o  155.349   13.075   31.785   5.2125   43.530   10.830   28.244   5.9466  178.926   23.970  145.749   16.015 33.17763 28.82796 
1 1 1   12    4   21 o  284.947   10.664  105.919   7.8711  105.356   9.8761  106.900   13.032  283.589   13.445  283.923   17.810 -0.3345032 22.31449 
1 1 1   12    4   22 o   69.577   23.928   6.0358   5.2161   7.7610   9.4989   5.2910   6.2414   84.300   31.831   69.717   25.907 14.58326 41.04116 
1 1 1   12    4   23 o  153.814   12.677   31.212   5.0057   36.239   7.5623   27.292   6.6783  164.366   18.060  142.233   18.570 22.13330 25.90330 
1 1 1   12    4   24 o  148.325   14.314   29.227   5.4311   28.000   9.0595   29.915   6.7857  141.384   25.683  149.038   17.937 -7.653748 31.32705 
1 1 1   12    4   25 o  143.178   16.154   27.496   5.8865   25.399   7.2130   31.680   10.186  135.885   21.183  149.508   27.308 -13.62274 34.56077 
1 1 1   12    4   26 o  148.550   12.861   29.263   4.8999   32.102   7.1687   26.774   6.7129  153.867   18.348  140.120   18.984 13.74677 26.40163 
1 1 1   12    4   27 o   96.839   19.112   13.038   4.6240   5.0715   6.6818   20.360   6.4055   69.249   26.565  120.824   21.242 -51.57494 34.01354 
1 1 1   12    4   28 o   84.563   21.506   10.155   4.7216   2.6906   6.8069   17.077   6.5550   63.209   25.951  109.181   23.846 -45.97223 35.24281 
1 1 1   12    4   29 o   79.699   22.602   9.0561   4.8809   15.785   7.5262   4.1717   6.4122  103.301   27.601   65.501   25.770 37.80003 37.76099 
1 1 1   12    4   30 o  104.870   19.340   15.424   5.0602   14.737   7.4609   16.010   6.8859   99.445   27.854  104.349   25.656 -4.904434 37.86884 
1 1 1   12    4   31 o  172.384   13.831   39.876   6.1240   37.789   8.9789   41.692   8.3740  163.746   21.704  173.739   18.913 -9.992340 28.78821 
1 1 1   12    4   32 o  115.554   27.159   20.100   7.9917   19.350   12.285   20.650   10.523  109.185   36.731  113.724   33.474 -4.539139 49.69576 
1 1 1   12    4   33 o  136.273   17.454   25.754   6.0193   24.303   8.7864   27.037   8.2629  126.437   27.602  135.672   24.410 -9.234909 36.84725 
1 1 1   12    4   34 o   95.913   26.737   14.147   6.8916   13.281   8.7076   15.600   11.275   92.112   30.924   98.095   35.064 -5.982719 46.75233 
1 1 1   12    4   35 o  154.220   17.257   33.222   6.7755   34.177   9.6176   32.281   9.5468  150.304   25.622  145.438   26.310 4.865585 36.72435 
1 1 1   12    4   36 o  126.174   20.768   23.251   6.5513   28.172   9.3420   18.489   9.1897  133.429   27.926  104.902   31.382 28.52689 42.00811 
1 1 1   12    4   37 o  171.076   16.458   40.996   7.2031   57.662   10.486   26.104   9.9120  199.027   20.639  124.625   30.866 74.40191 37.13065 
1 1 1   12    4   38 o   76.106   26.905   8.9732   6.6208   6.7321   9.5536   11.044   9.1837   73.557   30.524   82.665   31.278 -9.108322 43.70374 
1 1 1   12    4   39 o   70.592   28.513   6.6707   8.0589   28.780   15.826  -1.0694   9.3638  113.471   41.408   59.554   27.209 53.91716 49.54757 
1 1 1   12    4   40 o  199.217   16.003   56.259   8.1884   56.445   11.927   56.094   11.262  188.524   25.044  190.145   23.356 -1.621170 34.24488 
1 1 1   12    4   41 o   76.595   31.999   9.6858   10.600  -2.9410   15.367   21.150   14.642   66.875   31.898   95.436   38.473 -28.56087 49.97706 
1 1 1   12    5    0 o  592.690   9.1949  455.639   14.116  458.400   29.942  454.850   16.007  592.944   19.495  592.049   10.438 0.8951416 22.11319 
1 1 1   12    5    1 o  658.306   20.138  565.300   34.340  565.300   34.340   0.0000   0.0000  658.306   20.138  ?   ?  0.000000 20.13805 
1 1 1   12    5    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    5    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    5    7 o  265.225   23.922   92.880   16.258   92.880   16.258   0.0000   0.0000  265.225   23.922  ?   ?  0.000000 23.92210 
1 1 1   12    5    8 o  536.732   19.504  376.100   27.116   0.0000   0.0000  376.100   27.116  ?   ?   536.732   19.504 0.000000 19.50407 
1 1 1   12    5    9 o  451.220   16.601  265.300   19.403  265.300   19.403   0.0000   0.0000  451.220   16.601  ?   ?  0.000000 16.60113 
1 1 1   12    5   10 o  742.729   9.9281  716.116   19.101  704.600   37.329  720.201   22.231  734.274   19.626  744.545   11.527 -10.27136 22.76121 
1 1 1   12    5   11 o  681.041   9.6399  602.111   17.006  609.600   33.790  599.571   19.680  682.946   19.101  679.330   11.184 3.616089 22.13394 
1 1 1   12    5   12 o  177.760   10.796   41.204   4.9476   50.520   9.5338   37.770   5.7881  195.644   19.054  169.858   13.260 25.78601 23.21435 
1 1 1   12    5   13 o  331.786   8.8794  142.903   7.6312  130.200   14.839  147.471   8.8981  315.010   18.264  336.923   10.196 -21.91382 20.91698 
1 1 1   12    5   14 o  224.751   11.217   65.688   6.5299   0.0000   0.0000   65.688   6.5299  ?   ?   224.751   11.217 0.000000 11.21650 
1 1 1   12    5   15 o  149.329   19.519   29.751   7.3694   0.0000   0.0000   29.751   7.3694  ?   ?   149.329   19.519 0.000000 19.51906 
1 1 1   12    5   16 o  305.299   9.4299  121.149   7.4573  114.600   14.857  123.355   8.6221  294.581   19.582  307.894   10.811 -13.31265 22.36804 
1 1 1   12    5   17 o  162.680   12.191   34.694   5.0997   45.430   10.684   31.526   5.8036  183.811   22.938  154.599   14.668 29.21201 27.22720 
1 1 1   12    5   18 o  261.966   10.019   89.327   6.7983   88.320   13.969   89.640   7.7820  257.469   21.132  262.222   11.457 -4.753326 24.03813 
1 1 1   12    5   19 o  146.984   13.450   28.489   5.0640   28.410   10.699   28.512   5.7488  142.204   29.989  146.649   15.362 -4.445313 33.69458 
1 1 1   12    5   20 o  161.970   13.003   34.540   5.4093   51.360   11.841   30.104   6.0809  194.449   24.020  150.525   15.833 43.92393 28.76897 
1 1 1   12    5   21 o  214.723   14.987   60.875   8.2835   69.530   13.398   55.520   10.539  226.698   23.141  203.393   20.274 23.30431 30.76584 
1 1 1   12    5   22 o  253.981   14.161   84.987   9.2794   73.590   14.249   93.380   12.228  232.578   23.997  264.942   17.923 -32.36438 29.95109 
1 1 1   12    5   23 f   52.532   20.316   2.4808   3.9312   10.858   5.8781  -4.2986   5.2878   88.171   24.733   42.882   19.897 45.28833 31.74335 
1 1 1   12    5   24 o  211.253   12.123   58.707   6.6062   57.520   11.787   59.251   7.9770  205.286   22.536  211.488   14.652 -6.201202 26.88026 
1 1 1   12    5   25 f  197.204   13.774   51.502   6.9918   50.640   8.7120   53.060   11.720  194.238   17.503  196.184   23.532 -1.945389 29.32802 
1 1 1   12    5   26 o  163.676   12.764   35.491   5.3689   33.321   7.9050   37.349   7.3147  156.044   20.019  166.447   17.215 -10.40221 26.40246 
1 1 1   12    5   27 o  186.078   11.913   45.762   5.7117   53.709   8.3181   38.672   7.8568  200.013   16.194  168.679   18.274 31.33426 24.41707 
1 1 1   12    5   28 o   90.745   20.596   11.647   4.7303   10.511   6.8397   12.689   6.5492   85.906   27.321   93.442   26.070 -7.535484 37.76342 
1 1 1   12    5   29 o  160.555   13.802   34.505   5.6844   23.522   8.2979   44.217   7.8029  127.007   26.095  180.516   16.883 -53.50935 31.08090 
1 1 1   12    5   30 o  257.245   10.683   87.178   7.1184   89.068   10.121   85.329   10.013  257.371   15.250  251.785   15.428 5.585419 21.69262 
1 1 1   12    5   31 o  120.527   21.035   20.615   6.3282   18.398   7.9202   24.530   10.523  110.513   27.717  125.209   32.250 -14.69568 42.52377 
1 1 1   12    5   32 o  139.037   20.458   27.306   7.1476   21.620   12.872   29.841   8.5945  114.006   37.578  143.348   23.994 -29.34225 44.58524 
1 1 1   12    5   33 o   63.847   25.791   3.8023   6.5942  -1.4403   8.2290   13.210   11.023   58.475   26.224   93.257   34.474 -34.78131 43.31458 
1 1 1   12    5   34 o   97.002   28.091   14.716   7.4643   15.318   9.3036   13.630   12.505   97.455   31.940   93.781   36.244 3.674896 48.30906 
1 1 1   12    5   35 o  150.528   17.757   31.854   6.7905   31.352   9.9939   32.284   9.2550  141.354   28.282  145.932   25.407 -4.578201 38.01814 
1 1 1   12    5   36 o   52.151   23.122  -0.3495   6.2104   1.7225   9.2847  -2.0271   8.3545   65.096   28.591   56.631   25.806 8.464935 38.51493 
1 1 1   12    5   37 o   88.060   26.712   12.452   6.6241   13.017   9.6847   11.954   9.0803   88.164   32.359   85.488   31.340 2.676247 45.04775 
1 1 1   12    5   38 o  180.508   16.448   45.912   7.6061   53.625   11.214   39.341   10.351  187.631   23.595  157.791   26.247 29.83955 35.29324 
1 1 1   12    5   39 o  134.284   25.543   28.751   8.5600   50.740   16.715   20.935   9.9660  157.060   40.740  106.640   32.844 50.42052 52.33096 
1 1 1   12    5   40 o   47.577   22.834  -7.3933   8.1430 -13.3783   10.061   3.9750   13.866   48.147   23.617   72.725   33.181 -24.57798 40.72773 
1 1 1   12    5   41 o   58.974   26.387   1.5147   8.2809   1.7500   15.723   1.4244   9.7415   70.851   33.338   61.853   28.062 8.997753 43.57648 
1 1 1   12    6    0 o  323.164   8.8357  135.455   7.3963  131.800   17.170  136.288   8.1957  317.027   21.028  324.104   9.7622 -7.077118 23.18328 
1 1 1   12    6    1 o  723.783   9.8955  679.719   18.552  690.400   39.145  676.625   21.069  727.193   20.782  721.940   11.266 5.253967 23.63906 
1 1 1   12    6    2 o  314.307   14.547  128.456   11.843  112.400   16.805  144.300   16.694  292.391   22.358  332.044   19.495 -39.65344 29.66351 
1 1 1   12    6    3 o  521.215   13.670  353.102   18.457  351.300   26.495  354.800   25.725  518.891   19.712  521.598   19.040 -2.707031 27.40629 
1 1 1   12    6    4 o  476.891   13.678  295.621   16.896  255.100   23.344  340.200   24.485  442.026   20.388  510.819   18.505 -68.79251 27.53389 
1 1 1   12    6    5 o  624.952   13.989  507.814   22.646  504.600   32.097  511.000   31.955  621.729   19.930  625.711   19.716 -3.982971 28.03433 
1 1 1   12    6    6 o  568.608   13.801  420.379   20.328  393.000   28.042  450.700   29.509  548.664   19.731  587.644   19.386 -38.97913 27.66113 
1 1 1   12    6    7 o  670.575   14.301  584.929   24.840  586.300   35.406  583.600   34.860  669.857   20.405  668.391   20.135 1.466736 28.66664 
1 1 1   12    6    8 o  279.142   8.7708  101.091   6.3418  109.894   9.2720   93.353   8.6932  290.801   12.309  268.007   12.522 22.79337 17.55916 
1 1 1   12    6    9 o  590.752   10.714  453.208   16.394  480.500   28.125  439.163   20.176  606.823   17.893  581.085   13.404 25.73853 22.35705 
1 1 1   12    6   10 o  779.601   10.205  789.203   20.607  790.900   40.725  788.619   23.892  777.503   20.221  778.964   11.841 -1.460266 23.43290 
1 1 1   12    6   11 o  765.339   10.146  760.706   20.114  745.200   39.345  766.193   23.403  754.474   20.132  767.731   11.768 -13.25720 23.31969 
1 1 1   12    6   12 o  491.226   8.9585  313.243   11.399  356.800   23.886  300.398   12.971  522.540   17.647  480.854   10.414 41.68558 20.49091 
1 1 1   12    6   13 o  310.838   10.403  125.562   8.3760   0.0000   0.0000  125.562   8.3760  ?   ?   310.838   10.403 0.000000 10.40289 
1 1 1   12    6   14 o  145.970   13.631   28.010   5.0942   0.0000   0.0000   28.010   5.0942  ?   ?   145.970   13.631 0.000000 13.63058 
1 1 1   12    6   15 o  247.622   15.065   80.394   9.6172   0.0000   0.0000   80.394   9.6172  ?   ?   247.622   15.065 0.000000 15.06535 
1 1 1   12    6   16 o  234.230   10.318   71.381   6.2601   76.730   12.854   69.718   7.1677  240.316   20.856  230.990   12.021 9.326233 24.07185 
1 1 1   12    6   17 o  174.846   11.967   40.047   5.3875   59.880   11.479   34.444   6.1013  211.771   21.210  161.594   14.738 50.17737 25.82825 
1 1 1   12    6   18 o  253.427   10.215   83.640   6.7058  128.000   14.441   71.445   7.5716  311.228   17.990  233.567   12.561 77.66045 21.94090 
1 1 1   12    6   19 o  329.471   9.7013  141.361   8.2794  150.700   16.728  138.332   9.5283  336.980   19.244  325.605   11.297 11.37491 22.31532 
1 1 1   12    6   20 o  123.565   20.374   20.784   6.2939   35.440   10.727   13.090   7.7723  159.926   26.846   97.074   28.820 62.85172 39.38674 
1 1 1   12    6   21 o  211.352   11.947   58.599   6.5135   76.080   13.342   53.129   7.4634  237.586   21.927  200.610   14.460 36.97589 26.26534 
1 1 1   12    6   22 o   58.342   23.562   2.2648   5.5026   6.5060   10.104   0.4767   6.5608   82.594   32.395   58.217   24.789 24.37636 40.79163 
1 1 1   12    6   23 o  232.121   12.283   70.823   7.3590   78.110   14.216   68.156   8.6011  239.451   23.211  226.973   14.709 12.47855 27.47899 
1 1 1   12    6   24 o  168.446   13.297   37.546   5.7548   34.110   9.6016   39.472   7.1891  156.610   24.469  171.828   16.349 -15.21855 29.42866 
1 1 1   12    6   25 o  190.816   12.021   48.007   5.9114   49.437   8.6856   46.773   8.0684  191.710   17.690  186.751   16.861 4.959915 24.43840 
1 1 1   12    6   26 o  198.290   11.946   51.898   6.1074   54.762   9.0578   49.510   8.2701  201.582   17.521  191.906   16.806 9.675659 24.27839 
1 1 1   12    6   27 o  189.031   12.375   47.328   6.0259   49.284   8.7763   45.584   8.2883  190.620   17.987  183.416   17.664 7.204697 25.20988 
1 1 1   12    6   28 o  163.442   14.077   35.749   5.9016   33.793   8.3297   37.722   8.3628  155.777   21.193  165.351   19.927 -9.574265 29.08983 
1 1 1   12    6   29 f  136.111   16.319   25.226   5.6388   37.170   8.5087   15.873   7.5297  163.455   20.550  103.278   27.613 60.17744 34.42079 
1 1 1   12    6   30 o   77.652   22.878   8.6455   4.9134   15.657   7.1850   2.4863   6.7340  102.515   26.768   61.847   25.642 40.66797 37.06826 
1 1 1   12    6   31 f  183.773   19.779   47.015   9.2672   38.460   14.396   53.070   12.110  153.579   36.689  191.581   25.000 -38.00169 44.39682 
1 1 1   12    6   32 o  180.316   14.627   43.995   6.7729   41.832   10.066   45.784   9.1553  170.329   23.436  180.798   19.877 -10.46918 30.73023 
1 1 1   12    6   33 f  113.789   25.359   19.475   7.2836   12.195   8.9904   33.380   12.425   89.450   31.376  142.714   34.080 -53.26336 46.32397 
1 1 1   12    6   34 o  121.509   24.494   22.175   7.4431   27.491   9.2025   12.120   12.657  133.333   27.556   90.478   36.011 42.85547 45.34457 
1 1 1   12    6   35 o  134.615   19.506   26.012   6.6033   18.060   9.4894   33.477   9.1946  103.613   32.072  148.937   24.698 -45.32385 40.48009 
1 1 1   12    6   36 f   94.686   25.557   14.114   6.4141   11.615   9.2488   16.430   8.9029   85.219   31.562   98.540   31.153 -13.32091 44.34706 
1 1 1   12    6   37 o   48.730   22.336  -2.3972   6.3788 -14.5053   9.3140   8.2987   8.7540   45.974   22.586   76.115   30.057 -30.14084 37.59762 
1 1 1   12    6   38 o   44.916   21.253  -5.2858   6.5540 -15.6459   10.032   2.4282   8.6567   47.098   23.197   63.472   27.749 -16.37352 36.16780 
1 1 1   12    6   39 o  128.988   23.483   25.931   7.5572   24.915   11.173   26.787   10.260  113.859   34.726  121.938   32.059 -8.078911 47.26168 
1 1 1   12    6   40 o   82.654   32.393   12.378   10.097   5.2740   16.223   16.870   12.900   76.002   35.119   90.545   36.249 -14.54253 50.47118 
1 1 1   12    7    0 o  255.479   9.4012   84.681   6.2214   84.800   15.680   84.659   6.7778  253.309   24.192  255.404   10.245 -2.095383 26.27172 
1 1 1   12    7    1 o  238.540   9.4455   73.826   5.8363   81.170   15.553   72.622   6.2964  247.696   24.564  236.549   10.276 11.14662 26.62712 
1 1 1   12    7    2 o  281.877   8.8047  103.065   6.4287  111.200   16.572  101.624   6.9749  290.772   22.170  279.858   9.6217 10.91418 24.16756 
1 1 1   12    7    3 o  325.171   8.7288  137.156   7.3522  133.200   18.202  137.927   8.0370  318.354   22.212  326.037   9.5165 -7.682861 24.16436 
1 1 1   12    7    4 o  388.641   14.166  196.434   14.261  163.700   19.776  231.900   20.585  353.152   21.724  421.599   18.849 -68.44717 28.76141 
1 1 1   12    7    5 o  335.278   14.769  146.262   12.826  145.500   18.289  147.000   17.993  332.912   21.321  334.728   20.855 -1.815735 29.82479 
1 1 1   12    7    6 o  459.915   13.883  275.108   16.539  265.400   23.223  285.100   23.560  450.731   19.891  467.245   19.466 -16.51373 27.83135 
1 1 1   12    7    7 o  371.125   12.124  178.982   11.655   0.0000   0.0000  178.982   11.655  ?   ?   371.125   12.124 0.000000 12.12392 
1 1 1   12    7    8 o  404.270   8.9029  212.071   9.3229  212.801   13.478  211.402   12.910  404.551   12.862  403.280   12.358 1.271515 17.83674 
1 1 1   12    7    9 o  524.413   9.2281  356.939   12.535  363.943   18.198  350.615   17.292  528.929   13.282  519.226   12.857 9.703430 18.48572 
1 1 1   12    7   10 o  560.685   10.747  408.408   15.608  395.300   25.791  415.982   19.605  550.064   18.101  565.381   13.387 -15.31750 22.51355 
1 1 1   12    7   11 o  712.951   9.9007  660.171   18.284  666.100   36.573  658.195   21.112  713.161   19.798  711.547   11.454 1.614136 22.87308 
1 1 1   12    7   12 o  226.198   15.285   67.044   8.9035   0.0000   0.0000   67.044   8.9035  ?   ?   226.198   15.285 0.000000 15.28546 
1 1 1   12    7   13 f  531.381   10.619  367.099   14.617   0.0000   0.0000  367.099   14.617  ?   ?   531.381   10.619 0.000000 10.61936 
1 1 1   12    7   14 o  272.741   9.6601   96.680   6.8247   95.000   14.549   97.153   7.7277  267.812   21.144  273.278   10.917 -5.465179 23.79623 
1 1 1   12    7   15 o  392.130   11.225  200.191   11.402  219.900   19.954  190.635   13.893  409.056   18.832  382.098   14.037 26.95801 23.48766 
1 1 1   12    7   16 o  245.592   10.058   78.481   6.3982   90.250   13.541   75.098   7.2598  260.798   20.202  240.047   11.676 20.75110 23.33349 
1 1 1   12    7   17 o  194.377   11.432   49.427   5.7304   63.640   12.263   45.457   6.4816  217.961   22.022  185.995   13.547 31.96648 25.85475 
1 1 1   12    7   18 o  335.050   9.6039  146.146   8.3350  163.200   17.158  140.878   9.5358  350.974   18.943  328.651   11.201 22.32300 22.00695 
1 1 1   12    7   19 o  434.180   12.773  246.604   14.365  258.700   21.531  236.900   19.285  442.144   18.800  423.675   17.573 18.46902 25.73378 
1 1 1   12    7   20 o  308.111   10.133  123.791   8.0872  152.100   16.331  114.594   9.3088  338.295   18.709  296.007   12.141 42.28821 22.30328 
1 1 1   12    7   21 o  131.882   16.023   23.257   5.3612   33.820   11.291   20.182   6.0916  154.779   29.234  121.634   20.032 33.14516 35.43881 
1 1 1   12    7   22 o  254.010   11.014   84.353   7.2470   84.470   14.793   84.316   8.3129  249.293   23.173  253.575   12.656 -4.282272 26.40398 
1 1 1   12    7   23 o  251.725   23.877   86.690   15.383   86.690   15.383   0.0000   0.0000  251.725   23.877  ?   ?  0.000000 23.87699 
1 1 1   12    7   24 o  172.695   27.715   42.190   11.978   0.0000   0.0000   42.190   11.978  ?   ?   172.695   27.715 0.000000 27.71471 
1 1 1   12    7   25 o  221.688   12.158   64.810   6.9551   69.450   14.742   63.482   7.8882  222.685   26.050  218.766   13.994 3.919327 29.57104 
1 1 1   12    7   26 o  337.757   9.6523  149.337   8.4447  153.737   12.189  145.274   11.711  340.810   13.807  331.381   13.643 9.429108 19.41040 
1 1 1   12    7   27 o  127.697   16.766   22.202   5.4118   18.592   7.9411   25.332   7.3948  112.486   27.488  134.348   22.012 -21.86137 35.21485 
1 1 1   12    7   28 o  294.073   10.466  113.706   7.9722  106.392   11.404  120.697   11.149  281.439   15.706  301.031   14.298 -19.59216 21.23944 
1 1 1   12    7   29 o  199.950   12.190   53.117   6.2836   50.938   8.9817   55.205   8.7940  192.859   18.194  201.507   17.007 -8.647995 24.90503 
1 1 1   12    7   30 o   71.744   25.300   6.8516   5.8511   1.8491   7.6417   13.940   9.0964   63.232   26.834   96.010   31.588 -32.77800 41.44678 
1 1 1   12    7   31 o   65.421   24.284   5.2254   5.4810   1.1100   8.2442   8.4853   7.3374   63.372   27.397   78.643   28.268 -15.27093 39.36553 
1 1 1   12    7   32 o   67.621   25.853   5.4323   6.3150   1.7593   7.7811   12.520   10.809   62.837   26.882   91.733   34.092 -28.89612 43.41554 
1 1 1   12    7   33 o  233.886   14.597   74.228   8.7991   73.520   14.725   74.621   10.974  222.203   26.080  231.402   18.461 -9.198914 31.95273 
1 1 1   12    7   34 o   65.885   26.961   4.2254   7.3175  -0.9941   9.1894   13.270   12.097   61.294   27.582   91.836   35.604 -30.54230 45.03829 
1 1 1   12    7   35 o  103.179   25.140   16.510   6.6574   27.430   9.5745   6.2885   9.2632  130.541   29.062   73.624   30.255 56.91631 41.95241 
1 1 1   12    7   36 o  183.364   16.005   46.895   7.5258   69.360   11.138   28.024   10.209  219.220   19.830  129.143   30.926 90.07700 36.73745 
1 1 1   12    7   37 o  127.385   21.737   24.352   6.9151   24.379   9.9290   24.327   9.6365  118.238   31.749  118.932   30.974 -0.6942749 44.35515 
1 1 1   12    7   38 o   91.299   27.334   13.890   6.9699   12.498   9.9836   15.214   9.7348   85.150   32.517   91.856   32.608 -6.705826 46.05067 
1 1 1   12    7   39 o   71.294   27.164   7.7553   6.9573   10.803   10.062   4.9639   9.6301   80.212   32.049   68.637   29.642 11.57476 43.65527 
1 1 1   12    7   40 o  105.736   29.532   20.131   8.3994   5.5160   16.483   25.257   9.7619   75.725   35.134  116.545   31.559 -40.81992 47.22703 
1 1 1   12    8    0 o  365.193   9.0372  173.028   8.5488  174.700   20.245  172.665   9.4309  364.868   21.516  364.741   9.9820 0.1271973 23.71832 
1 1 1   12    8    1 o  497.800   9.0978  321.509   11.731  312.300   25.651  323.945   13.192  488.921   20.254  499.569   10.194 -10.64832 22.67521 
1 1 1   12    8    2 o  376.836   10.834  184.382   10.575  149.700   19.385  199.076   12.618  337.468   22.302  391.408   12.446 -53.93967 25.53927 
1 1 1   12    8    3 o  470.524   9.0176  287.244   10.991  264.600   24.542  292.925   12.292  449.830   21.063  475.058   9.9891 -25.22845 23.31132 
1 1 1   12    8    4 o  205.661   9.5587   54.892   5.0922   87.340   15.646   51.047   5.3854  257.021   23.771  198.007   10.538 59.01376 26.00174 
1 1 1   12    8    5 o  225.251   9.5074   65.849   5.5473   59.850   15.566   66.722   5.9371  211.027   29.264  226.708   10.110 -15.68134 30.96115 
1 1 1   12    8    6 o  560.407   9.3273  407.585   13.540  357.481   18.341  467.594   20.072  524.244   13.506  599.681   12.922 -75.43750 18.69197 
1 1 1   12    8    7 o  456.229   9.0380  270.120   10.681  267.108   15.298  272.986   14.919  453.189   13.032  458.215   12.570 -5.026062 18.10588 
1 1 1   12    8    8 o  384.513   9.1241  191.899   9.0876  173.026   13.021  209.823   12.689  364.615   13.787  401.732   12.194 -37.11725 18.40554 
1 1 1   12    8    9 o  535.238   9.3525  371.917   12.967  373.724   18.775  370.270   17.929  535.842   13.527  533.466   12.975 2.376343 18.74357 
1 1 1   12    8   10 o  638.745   9.7811  529.881   16.183  521.528   23.167  537.842   22.616  632.738   14.135  642.699   13.585 -9.960999 19.60489 
1 1 1   12    8   11 o  614.881   9.5590  491.060   15.225  497.300   30.933  489.065   17.490  616.064   19.384  613.347   11.009 2.717346 22.29217 
1 1 1   12    8   12 o  381.209   11.976  189.123   11.825   0.0000   0.0000  189.123   11.825  ?   ?   381.209   11.976 0.000000 11.97558 
1 1 1   12    8   13 o  288.756   9.7753  108.371   7.3116  105.900   15.361  109.095   8.3137  282.875   21.116  289.573   11.084 -6.698334 23.84848 
1 1 1   12    8   14 o  444.226   13.733  257.552   15.802   0.0000   0.0000  257.552   15.802  ?   ?   444.226   13.733 0.000000 13.73284 
1 1 1   12    8   15 o  275.508   9.8609   98.740   7.0372  130.100   15.432   90.507   7.9072  313.818   19.075  263.552   11.583 50.26550 22.31602 
1 1 1   12    8   16 o  259.509   10.209   87.676   6.8624   95.100   14.652   85.590   7.7669  267.153   21.351  256.194   11.704 10.95874 24.34864 
1 1 1   12    8   17 o  413.725   9.4795  222.785   10.159  230.100   20.513  220.407   11.694  417.388   18.973  411.166   10.980 6.221558 21.92074 
1 1 1   12    8   18 o  288.014   13.192  108.563   9.8415  114.300   15.285  104.500   12.862  292.816   20.277  280.860   17.772 11.95651 26.96263 
1 1 1   12    8   19 o  161.915   13.120   34.553   5.4552   35.150   11.501   34.380   6.1967  158.285   29.123  161.075   15.025 -2.789948 32.77089 
1 1 1   12    8   20 o  214.423   11.414   60.258   6.3170   82.750   13.736   54.224   7.1139  247.891   21.607  202.859   13.617 45.03206 25.54038 
1 1 1   12    8   21 f  238.012   11.263   74.075   6.9439   99.050   14.862   67.101   7.8539  271.159   21.331  225.677   13.497 45.48230 25.24290 
1 1 1   12    8   22 o   84.727   22.381   10.025   4.9852   2.3300   10.802   12.108   5.6194   75.924   32.044   92.862   23.378 -16.93813 39.66526 
1 1 1   12    8   23 o   94.072   24.182   12.507   5.9248   13.840   11.221   11.992   6.9766  100.689   35.068   92.172   27.291 8.516167 44.43647 
1 1 1   12    8   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    8   25 o   72.509   24.529   6.9353   5.4786   14.350   11.441   4.7293   6.2406  100.913   35.396   67.132   25.692 33.78114 43.73697 
1 1 1   12    8   26 f  171.581   14.321   39.331   6.3067   29.390   12.212   42.947   7.3649  138.624   34.216  178.648   16.088 -40.02364 37.80992 
1 1 1   12    8   27 o  109.550   20.980   16.918   5.7366   34.520   12.742   12.444   6.4245  150.055   33.617   92.446   25.831 57.60909 42.39474 
1 1 1   12    8   28 o  134.343   15.476   24.471   5.2871   25.542   7.8255   23.572   7.1715  133.660   23.458  128.864   22.291 4.795273 32.36044 
1 1 1   12    8   29 o   72.841   23.956   7.3755   5.2323   9.3664   7.6133   5.5934   7.2029   82.076   28.869   70.856   27.473 11.21996 39.85184 
1 1 1   12    8   30 o   55.163   23.588   0.8373   5.9858  -3.9250   11.699   2.5262   6.9668   66.221   30.314   62.420   25.998 3.800827 39.93516 
1 1 1   12    8   31 o   52.648   23.034  -0.2044   5.9751   1.5734   7.4944  -3.3060   9.8990   61.748   26.398   61.361   28.012 0.3870583 38.49060 
1 1 1   12    8   32 o   56.866   24.256   1.2986   6.3009  -4.2274   7.9443   10.670   10.345   53.186   24.576   86.697   33.103 -33.51095 41.22831 
1 1 1   12    8   33 o  108.260   25.581   17.892   7.0596   19.690   12.054   16.953   8.7098  106.872   36.382  102.516   30.525 4.356010 47.49112 
1 1 1   12    8   34 o   78.766   26.106   9.3968   6.2091   16.315   9.0226   3.1736   8.5577   99.206   31.361   66.381   28.290 32.82563 42.23533 
1 1 1   12    8   35 o   45.694   21.396  -4.4600   6.3424   8.6724   8.9715 -17.5807   8.9675   78.015   30.546   42.832   21.247 35.18284 37.20895 
1 1 1   12    8   36 o   79.054   26.998   9.8392   6.6378   18.669   9.5529   1.5960   9.2301  103.084   32.224   63.982   28.287 39.10216 42.87805 
1 1 1   12    8   37 o   67.104   26.246   6.0087   6.6182   3.1758   9.6701   8.5047   9.0770   66.911   29.288   76.181   30.440 -9.270264 42.24170 
1 1 1   12    8   38 o  160.723   18.814   37.706   7.6843   32.204   10.828   43.288   10.907  135.326   31.483  163.808   26.619 -28.48126 41.22770 
1 1 1   12    8   39 o  104.779   29.517   19.489   8.3534   16.144   10.622   24.910   13.524   91.185   33.814  106.244   38.353 -15.05982 51.13073 
1 1 1   12    8   40 o  208.273   22.525   67.964   11.958   0.0000   0.0000   67.964   11.958  ?   ?   208.273   22.525 0.000000 22.52488 
1 1 1   12    9    0 f  1181.85   13.091  1816.17   40.077  1777.00   79.921  1829.32   46.321  1161.97   26.553  1185.37   15.086 -23.39856 30.53950 
1 1 1   12    9    1 o  590.999   9.5050  453.314   14.551  468.700   31.633  449.184   16.388  598.702   20.397  588.129   10.757 10.57318 23.06005 
1 1 1   12    9    2 o  537.638   9.3320  375.129   12.996  362.800   28.113  378.480   14.656  526.663   20.607  539.891   10.480 -13.22748 23.11899 
1 1 1   12    9    3 o  213.151   10.100   58.985   5.5767   59.730   16.199   58.885   5.9398  210.380   30.624  212.659   10.819 -2.278931 32.47904 
1 1 1   12    9    4 o  722.753   11.894  678.867   22.267  609.200   37.691  716.219   27.598  682.089   21.332  741.790   14.363 -59.70099 25.71713 
1 1 1   12    9    5 o  511.547   9.3685  339.656   12.414  315.650   17.332  364.944   17.789  492.547   13.584  529.720   12.964 -37.17322 18.77789 
1 1 1   12    9    6 o  793.664   10.527  818.147   21.643  835.661   31.241  801.984   30.011  800.922   15.058  784.706   14.765 16.21667 21.08910 
1 1 1   12    9    7 o  587.469   9.5682  448.083   14.560  433.934   20.567  462.300   20.615  577.364   13.752  596.023   13.353 -18.65857 19.16821 
1 1 1   12    9    8 o  634.060   9.7500  522.091   16.014  521.081   22.994  523.042   22.314  632.540   14.034  633.838   13.591 -1.297974 19.53637 
1 1 1   12    9    9 o  581.204   9.6591  438.720   14.542  423.572   20.625  453.694   20.506  570.218   13.964  590.278   13.411 -20.05994 19.36092 
1 1 1   12    9   10 o  474.575   9.4380  292.523   11.602  299.892   17.102  286.241   15.792  479.751   13.762  468.855   13.003 10.89612 18.93330 
1 1 1   12    9   11 o  510.639   11.099  339.143   14.680  351.800   27.539  334.119   17.351  517.440   20.547  506.394   13.228 11.04636 24.43639 
1 1 1   12    9   12 o  387.995   9.2747  195.600   9.3213  198.600   19.157  194.669   10.670  388.965   19.013  386.873   10.647 2.091583 21.79155 
1 1 1   12    9   13 o  356.277   10.724  165.173   9.8964   0.0000   0.0000  165.173   9.8964  ?   ?   356.277   10.724 0.000000 10.72357 
1 1 1   12    9   14 o  481.070   11.367  301.484   14.165  267.900   23.406  320.893   17.793  450.733   20.048  495.614   13.860 -44.88144 24.37233 
1 1 1   12    9   15 o  256.463   10.325   85.637   6.8590   97.340   15.228   82.658   7.6824  270.109   21.955  251.764   11.780 18.34532 24.91589 
1 1 1   12    9   16 o  203.041   14.724   54.297   7.6911   90.060   13.811   38.222   9.2596  259.921   20.685  168.352   21.742 91.56850 30.00939 
1 1 1   12    9   17 f  411.886   12.925  221.910   13.790  225.900   21.028  218.900   18.265  412.906   19.661  407.494   17.304 5.412415 26.19123 
1 1 1   12    9   18 o  256.422   10.612   85.780   7.0487  115.600   15.658   78.202   7.8937  294.042   20.690  244.176   12.523 49.86546 24.18463 
1 1 1   12    9   19 o  141.350   14.582   26.525   5.2625   27.280   11.010   26.301   5.9912  137.984   31.498  140.185   16.836 -2.200378 35.71497 
1 1 1   12    9   20 o  363.102   9.7758  171.976   9.1945  194.200   18.903  165.088   10.523  382.052   19.101  355.293   11.434 26.75867 22.26217 
1 1 1   12    9   21 o  109.812   18.203   16.425   4.9965   16.940   11.858   16.314   5.5095  109.426   36.068  108.838   20.289 0.5882797 41.38292 
1 1 1   12    9   22 o  180.433   13.388   43.052   6.2126   48.860   13.747   41.562   6.9645  185.441   29.615  176.686   15.370 8.754639 33.36587 
1 1 1   12    9   23 o  102.645   20.488   14.647   5.2567   23.250   12.878   12.927   5.7582  124.213   37.148   95.598   23.435 28.61494 43.92201 
1 1 1   12    9   24 o  209.120   38.210   66.570   19.935   0.0000   0.0000   66.570   19.935  ?   ?   209.120   38.210 0.000000 38.20974 
1 1 1   12    9   25 o  333.344   11.466  146.144   9.9007  124.000   17.382  156.779   12.046  299.880   22.541  344.243   13.509 -44.36273 26.27945 
1 1 1   12    9   26 o   58.027   22.708   3.1481   4.9563   17.530   10.585  -0.8907   5.6092  107.544   33.965   50.335   22.162 57.20916 40.55559 
1 1 1   12    9   27 o  195.783   12.925   51.023   6.5180   54.900   13.290   49.795   7.4794  194.753   27.076  192.450   15.126 2.303024 31.01463 
1 1 1   12    9   28 o  116.064   20.122   18.957   5.8303   1.0770   12.401   24.031   6.6059   75.190   33.032  130.989   20.112 -55.79945 38.67347 
1 1 1   12    9   29 o  194.907   17.965   52.164   8.9681   53.130   13.541   51.410   11.969  189.045   28.542  188.585   25.128 0.4601135 38.02705 
1 1 1   12    9   30 o  145.865   16.122   29.113   5.9895   27.085   8.3587   31.253   8.5866  136.033   24.629  147.180   23.299 -11.14743 33.90271 
1 1 1   12    9   31 o   64.525   25.747   4.1699   6.4856   10.126   8.2105  -5.7130   10.576   83.649   29.920   60.182   27.997 23.46687 40.97572 
1 1 1   12    9   32 o   84.598   24.428   10.746   5.6519   10.278   8.1628   11.176   7.8334   83.390   29.832   85.802   29.328 -2.412270 41.83419 
1 1 1   12    9   33 o  139.270   25.039   29.262   8.7008   23.710   12.313   34.800   12.297  115.573   36.647  144.328   33.531 -28.75482 49.67223 
1 1 1   12    9   34 o   52.246   23.106  -0.2437   6.1639  -0.4380   8.6148  -0.0399   8.8229   59.926   26.856   61.146   27.307 -1.220787 38.30061 
1 1 1   12    9   35 f   65.339   25.921   5.1413   6.5381   15.677   9.2352  -5.4446   9.2573   95.501   31.847   54.581   25.650 40.92020 40.89244 
1 1 1   12    9   36 o   37.419   18.402 -10.8826   6.2324  -6.0580   9.0702 -15.1980   8.5783   52.889   25.018   42.832   21.163 10.05721 32.76874 
1 1 1   12    9   37 o  133.917   21.563   27.061   7.2261   18.390   10.474   34.938   9.9826   99.052   33.912  146.624   27.288 -47.57193 43.52796 
1 1 1   12    9   38 o   88.231   27.407   13.225   6.9229   15.718   9.8398   10.781   9.7417   91.707   32.759   80.097   31.683 11.60938 45.57380 
1 1 1   12    9   39 o   73.598   30.753   8.1972   9.7942   20.450   14.762  -1.4390   13.091   94.675   38.466   65.032   30.542 29.64359 49.11723 
1 1 1   12    9   40 o   66.568   27.410   6.3867   7.6215   9.8448   11.082   3.2835   10.498   75.689   32.223   65.066   29.361 10.62321 43.59387 
1 1 1   12   10    0 o  506.768   9.4037  333.357   12.344  348.600   27.793  329.611   13.778  515.989   20.794  503.767   10.558 12.22290 23.32102 
1 1 1   12   10    1 o  326.108   11.363  138.187   9.5987  139.700   19.513  137.704   11.025  325.388   23.305  325.364   13.081 0.2368164E-01 26.72547 
1 1 1   12   10    2 o  570.104   9.5975  421.944   14.173  398.900   30.100  428.509   16.065  551.840   21.057  574.342   10.799 -22.50165 23.66480 
1 1 1   12   10    3 o  342.674   9.4355  152.437   8.3752  125.100   20.316  158.035   9.1928  307.113   25.776  348.843   10.173 -41.72952 27.71108 
1 1 1   12   10    4 o  346.305   9.8482  155.726   8.8342  142.478   12.772  167.878   12.232  330.697   14.910  359.201   13.147 -28.50385 19.87831 
1 1 1   12   10    5 o  486.499   9.5420  307.306   12.025  313.306   17.385  301.803   16.650  490.577   13.681  481.547   13.348 9.030701 19.11370 
1 1 1   12   10    6 o  246.567   10.841   79.003   6.9240   50.274   9.8970  106.545   9.6902  194.948   19.877  286.121   13.075 -91.17238 23.79177 
1 1 1   12   10    7 o  499.880   9.4971  324.504   12.297  308.201   17.244  341.373   17.541  486.460   13.685  512.064   13.225 -25.60464 19.03097 
1 1 1   12   10    8 o  253.874   10.586   83.768   6.9617   86.943   10.481   81.261   9.3128  257.618   15.782  249.253   14.487 8.365051 21.42303 
1 1 1   12   10    9 o  414.345   9.6406  223.043   10.347  204.213   15.010  240.092   14.283  395.671   14.646  429.376   12.842 -33.70514 19.47827 
1 1 1   12   10   10 o  225.811   13.098   66.663   7.6283   69.530   16.082   65.831   8.6652  227.004   27.939  224.062   15.017 2.941818 31.71904 
1 1 1   12   10   11 o  292.567   13.795  111.673   10.455   0.0000   0.0000  111.673   10.455  ?   ?   292.567   13.795 0.000000 13.79524 
1 1 1   12   10   12 o  286.907   14.186  107.510   10.543   0.0000   0.0000  107.510   10.543  ?   ?   286.907   14.186 0.000000 14.18611 
1 1 1   12   10   13 o  262.913   12.977   90.217   8.8376   85.050   15.194   92.859   10.864  252.059   23.544  265.778   15.853 -13.71950 28.38383 
1 1 1   12   10   14 o  554.155   9.6707  399.587   13.882  382.700   27.543  405.337   16.072  538.354   19.751  557.708   11.125 -19.35315 22.66916 
1 1 1   12   10   15 o   90.082   25.164   11.197   6.0981   30.600   11.854   4.2140   7.1112  147.077   32.023   69.623   27.213 77.45354 42.02394 
1 1 1   12   10   16 o  279.689   13.849  102.474   10.033  108.800   16.128   98.480   12.815  284.965   22.020  272.474   18.263 12.49158 28.60741 
1 1 1   12   10   17 o  131.351   15.855   23.021   5.2853   14.270   12.627   24.879   5.8196  104.902   37.148  136.380   16.831 -31.47794 40.78268 
1 1 1   12   10   18 o  232.073   11.195   70.364   6.7300   76.480   14.520   68.690   7.5951  237.245   23.955  228.628   12.877 8.617264 27.19689 
1 1 1   12   10   19 o  183.827   13.019   44.532   6.1592   38.000   13.937   46.117   6.8660  161.800   34.318  186.758   14.302 -24.95837 37.17906 
1 1 1   12   10   20 o  315.627   10.414  130.146   8.5141  123.000   17.739  132.285   9.7051  301.134   22.914  317.825   11.789 -16.69095 25.76825 
1 1 1   12   10   21 o  202.217   12.536   53.880   6.5340   70.140   14.320   49.605   7.3429  225.566   24.925  193.350   14.773 32.21594 28.97443 
1 1 1   12   10   22 o  314.223   10.345  129.173   8.4199  135.100   17.146  127.289   9.6655  315.785   21.083  311.390   11.983 4.395508 24.25027 
1 1 1   12   10   23 o  159.257   16.475   34.101   6.6981   0.0000   0.0000   34.101   6.6981  ?   ?   159.257   16.475 0.000000 16.47518 
1 1 1   12   10   24 f  237.637   14.431   75.141   8.8411   80.620   15.706   72.599   10.697  239.511   25.718  231.892   17.948 7.618851 31.36158 
1 1 1   12   10   25 o  316.154   12.803  132.142   10.485  108.600   17.097  146.333   13.274  278.857   23.901  331.149   15.475 -52.29172 28.47310 
1 1 1   12   10   26 o   49.025   21.676  -1.0543   5.4211  -3.1010   11.037  -0.4035   6.2237   66.283   29.990   53.882   23.543 12.40124 38.12688 
1 1 1   12   10   27 o   43.640   19.890  -2.5681   4.9657  -4.5350   10.573  -2.0115   5.6247   62.661   28.734   47.906   21.566 14.75475 35.92676 
1 1 1   12   10   28 o  171.428   19.664   40.857   8.5740   33.390   12.433   47.630   11.840  145.599   33.641  180.892   26.017 -35.29283 42.52806 
1 1 1   12   10   29 o  142.513   17.972   28.126   6.4868   23.820   13.272   29.478   7.4354  119.183   38.074  144.643   20.413 -25.45991 43.20083 
1 1 1   12   10   30 f  130.251   23.439   24.733   7.6174   38.150   13.473   18.428   9.2353  153.232   34.744  107.870   31.248 45.36206 46.72873 
1 1 1   12   10   31 o   54.512   23.339   0.9733   5.8735   16.100   11.804  -4.0047   6.7713   99.536   35.845   48.896   22.627 50.64026 42.38928 
1 1 1   12   10   32 o  170.845   14.913   39.920   6.5333   33.918   9.1705   46.105   9.3100  151.099   24.251  179.770   20.352 -28.67059 31.65915 
1 1 1   12   10   33 o   85.401   30.712   11.424   8.6626   20.320   12.497   3.1960   12.019  106.148   37.006   73.616   32.426 32.53196 49.20231 
1 1 1   12   10   34 o  133.367   20.590   26.040   6.8839   26.160   10.169   25.938   9.3529  124.308   31.532  126.008   29.222 -1.700188 42.99083 
1 1 1   12   10   35 o   97.011   26.871   15.302   6.9842   18.482   9.7476   11.947   10.012  101.968   32.635   85.099   32.548 16.86867 46.09177 
1 1 1   12   10   36 o   42.025   20.196  -7.1137   6.4152  -0.4195   9.6321 -12.4503   8.6002   61.217   27.824   44.920   21.993 16.29647 35.46618 
1 1 1   12   10   37 o   75.707   27.287   9.2049   6.8416   0.3273   10.059   16.847   9.3328   62.636   28.455   95.862   32.016 -33.22585 42.83372 
1 1 1   12   10   38 o  174.359   25.188   48.826   11.046   36.870   16.156   59.320   15.136  124.159   42.121  179.500   33.794 -55.34176 54.00240 
1 1 1   12   10   39 o  132.968   23.451   28.299   7.7818   26.981   11.359   29.464   10.682  114.369   35.038  123.852   32.784 -9.482857 47.98421 
1 1 1   12   11    0 o  175.175   12.699   40.131   5.7233   32.140   14.860   41.523   6.2017  151.596   37.935  178.085   13.546 -26.48865 40.28052 
1 1 1   12   11    1 o   82.968   20.657   9.3754   4.4224   1.9230   15.344   10.051   4.6183   90.426   38.180   85.870   20.949 4.555740 43.54939 
1 1 1   12   11    2 o  390.738   9.5609  198.257   9.6769  164.200   21.924  206.498   10.784  352.333   24.168  398.675   10.443 -46.34232 26.32784 
1 1 1   12   11    3 f  452.423   9.8234  265.846   11.512  225.573   15.944  309.711   16.640  416.007   14.796  487.777   13.170 -71.77060 19.80809 
1 1 1   12   11    4 o  442.829   9.7702  254.702   11.207  254.420   16.181  254.961   15.536  441.897   14.137  442.472   13.555 -0.5750427 19.58563 
1 1 1   12   11    5 o  245.757   11.194   78.526   7.1261   65.302   10.419   90.150   9.7684  222.685   18.222  262.598   14.416 -39.91336 23.23496 
1 1 1   12   11    6 o  213.042   12.021   59.240   6.6066   40.877   9.8133   74.463   8.9348  174.962   22.149  238.539   14.529 -63.57729 26.48941 
1 1 1   12   11    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   11    8 o  216.750   14.073   61.526   7.8587   33.190   15.207   71.850   9.1793  153.240   38.392  234.093   15.221 -80.85262 41.29892 
1 1 1   12   11    9 o  146.954   17.949   28.712   6.6905   41.720   15.472   25.720   7.4200  172.508   35.798  138.196   21.421 34.31212 41.71794 
1 1 1   12   11   10 o  518.400   13.681  350.691   18.371   0.0000   0.0000  350.691   18.371  ?   ?   518.400   13.681 0.000000 13.68081 
1 1 1   12   11   11 o  304.260   17.689  121.929   13.881  128.900   20.667  116.200   18.736  309.947   25.982  294.649   24.778 15.29779 35.90275 
1 1 1   12   11   12 o  319.323   13.271  133.167   10.977  128.529   13.193  143.600   19.787  312.633   16.348  327.954   23.447 -15.32138 28.58339 
1 1 1   12   11   13 o  230.653   14.914   69.971   8.8629   68.210   14.340   71.060   11.274  224.631   25.074  231.368   18.978 -6.736572 31.44624 
1 1 1   12   11   14 o  476.373   13.135  296.752   16.208  287.900   23.976  304.200   21.994  466.358   19.848  480.454   17.672 -14.09641 26.57540 
1 1 1   12   11   15 o  338.341   10.143  149.188   8.8889  160.700   18.600  145.781   10.119  347.151   20.779  334.113   11.693 13.03723 23.84330 
1 1 1   12   11   16 o  155.052   14.739   31.853   5.8486   35.850   13.009   30.841   6.5476  158.386   32.788  152.004   16.916 6.381546 36.89462 
1 1 1   12   11   17 o  169.897   13.412   38.085   5.8546   41.150   13.344   37.354   6.5151  170.214   31.423  167.824   15.150 2.389969 34.88485 
1 1 1   12   11   18 o  175.520   13.544   40.681   6.1101   21.310   13.327   45.836   6.8753  121.131   38.092  186.155   14.370 -65.02354 40.71217 
1 1 1   12   11   19 o  263.985   11.079   91.149   7.5759   87.550   15.515   92.276   8.6813  253.248   23.934  265.222   12.636 -11.97340 27.06528 
1 1 1   12   11   20 o  188.810   13.376   47.111   6.4995   29.040   14.079   52.005   7.3269  138.768   38.037  198.122   14.375 -59.35339 40.66222 
1 1 1   12   11   21 o  134.782   16.544   24.464   5.6547   45.840   12.855   19.335   6.2967  179.640   28.583  118.064   21.376 61.57574 35.69215 
1 1 1   12   11   22 o  108.345   19.598   16.232   5.2977   5.0380   12.388   18.738   5.8606   83.738   34.754  116.403   20.167 -32.66428 40.18199 
1 1 1   12   11   23 o  295.485   16.692  116.974   12.723   0.0000   0.0000  116.974   12.723  ?   ?   295.485   16.692 0.000000 16.69166 
1 1 1   12   11   24 o   78.855   24.258   8.7431   5.4381  -3.2940   12.191   11.734   6.0761   69.863   31.572   90.219   25.090 -20.35622 40.32723 
1 1 1   12   11   25 o  220.609   14.910   65.215   8.4703   75.810   14.559   59.793   10.414  231.530   24.655  208.750   19.485 22.77960 31.42513 
1 1 1   12   11   26 o  118.808   21.178   19.966   6.2784   10.570   11.789   23.686   7.4179   90.628   35.145  128.690   23.102 -38.06216 42.05804 
1 1 1   12   11   27 o  101.181   27.704   15.405   7.4737   21.190   11.405   11.050   9.8944  115.035   35.084   88.864   32.694 26.17079 47.95586 
1 1 1   12   11   28 o   67.489   24.563   5.7918   5.5636   25.440   11.230  -0.5995   6.4048  126.005   33.735   53.710   23.663 72.29529 41.20724 
1 1 1   12   11   29 o  107.811   26.083   17.499   7.2049   29.420   12.422   11.455   8.8445  133.640   35.343   88.031   31.099 45.60969 47.07737 
1 1 1   12   11   30 o  238.050   12.947   76.030   7.9534   63.930   15.664   80.234   9.2321  202.927   30.764  243.342   14.716 -40.41481 34.10263 
1 1 1   12   11   31 o  159.334   16.972   35.237   6.8968   50.660   15.437   31.391   7.7090  174.171   35.423  147.980   20.676 26.19177 41.01553 
1 1 1   12   11   32 o  100.232   24.939   15.435   6.4486   9.3460   13.801   17.135   7.2938   85.820   36.220  104.542   26.807 -18.72189 45.06139 
1 1 1   12   11   33 o   47.672   22.270  -4.4024   6.8042  -7.4270   12.543  -3.1411   8.0996   61.807   29.291   54.133   24.943 7.674065 38.47203 
1 1 1   12   11   34 o  167.064   19.886   40.588   8.4365   34.700   15.541   43.047   10.045  129.772   41.173  168.465   23.674 -38.69324 47.49416 
1 1 1   12   11   35 o  165.768   17.838   39.393   7.5389   51.335   10.993   28.792   10.358  183.044   23.746  128.915   31.327 54.12929 39.30944 
1 1 1   12   11   36 o   68.440   26.413   6.6830   6.6341   9.9037   9.6024   3.7419   9.1760   78.792   31.364   66.251   28.772 12.54170 42.56219 
1 1 1   12   11   37 o  145.185   24.889   33.678   9.0233   34.047   11.305   33.030   14.979  136.889   32.387  120.701   40.559 16.18743 51.90343 
1 1 1   12   11   38 o  107.435   29.176   20.642   8.3289   20.540   15.176   20.686   9.9635   93.955   38.682  102.609   33.011 -8.653992 50.85272 
1 1 1   12   11   39 o  137.471   23.174   30.407   7.9587   31.499   11.507   29.405   11.019  124.086   34.535  120.570   33.879 3.516052 48.37763 
1 1 1   12   12    0 o  320.019   25.871  136.300   21.262  136.300   21.262   0.0000   0.0000  320.019   25.871  ?   ?  0.000000 25.87099 
1 1 1   12   12    1 o  660.510   12.056  567.683   20.627  563.200   37.064  569.695   24.827  654.419   21.865  660.993   14.500 -6.573730 26.23594 
1 1 1   12   12    2 o  471.435   9.9973  288.785   12.208  299.244   17.801  279.497   16.775  479.074   14.345  463.074   13.985 16.00021 20.03368 
1 1 1   12   12    3 o  822.618   11.001  879.942   23.442  906.133   33.951  856.080   32.406  833.034   15.734  809.818   15.449 23.21649 22.05018 
1 1 1   12   12    4 o  377.207   10.268  184.942   10.033  174.163   14.312  195.355   14.068  365.288   15.126  387.082   14.030 -21.79419 20.63095 
1 1 1   12   12    5 o  340.680   10.463  150.897   9.2333  124.199   13.053  177.632   13.062  307.787   16.432  369.132   13.661 -61.34512 21.36938 
1 1 1   12   12    6 o  561.675   9.9758  410.079   14.514  402.451   20.647  417.529   20.406  555.350   14.353  565.782   13.924 -10.43207 19.99723 
1 1 1   12   12    7 o  390.138   11.868  198.196   11.993  175.700   22.529  207.093   14.168  363.565   24.059  398.436   13.728 -34.87164 27.69974 
1 1 1   12   12    8 o  328.003   12.302  140.196   10.452  121.300   20.068  147.231   12.244  300.904   26.002  335.815   14.076 -34.91107 29.56783 
1 1 1   12   12    9 o  468.400   21.422  289.800   25.991   0.0000   0.0000  289.800   25.991  ?   ?   468.400   21.422 0.000000 21.42217 
1 1 1   12   12   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   12   11 o  247.178   15.031   80.308   9.5778   58.650   14.631   96.550   12.670  207.139   27.985  270.221   18.207 -63.08168 33.38621 
1 1 1   12   12   12 o  246.130   13.613   79.477   8.6450   66.149   11.796   94.940   12.706  222.551   20.700  267.709   18.435 -45.15788 27.71951 
1 1 1   12   12   13 o  415.697   14.279  226.462   15.375   0.0000   0.0000  226.462   15.375  ?   ?   415.697   14.279 0.000000 14.27879 
1 1 1   12   12   14 o  324.112   10.171  136.937   8.5394  119.100   17.670  142.372   9.7541  297.499   23.111  330.209   11.404 -32.71005 25.77129 
1 1 1   12   12   15 o  395.465   9.8761  203.887   10.117  182.600   20.575  210.675   11.618  369.129   21.613  401.628   11.168 -32.49863 24.32739 
1 1 1   12   12   16 o   70.654   23.582   6.4312   5.0632   0.1636   12.077   7.7678   5.5770   76.450   33.104   76.495   24.707 -0.4480743E-01 41.30771 
1 1 1   12   12   17 o  116.653   18.736   18.513   5.4697   10.080   12.166   20.649   6.1234   94.319   35.925  122.991   19.901 -28.67170 41.06879 
1 1 1   12   12   18 o  201.962   12.870   53.751   6.6975   54.930   14.826   53.449   7.5072  197.079   29.988  200.923   14.522 -3.843628 33.31928 
1 1 1   12   12   19 o  125.755   17.696   21.419   5.6049   15.270   13.171   22.779   6.1937  106.094   37.900  129.324   19.061 -23.22937 42.42354 
1 1 1   12   12   20 o  311.630   10.706  127.144   8.6418  109.300   17.394  132.992   9.9578  282.019   24.040  318.249   12.079 -36.23004 26.90400 
1 1 1   12   12   21 o  314.958   10.605  129.966   8.6520  148.200   18.320  124.732   9.8156  329.858   21.560  307.940   12.306 21.91754 24.82467 
1 1 1   12   12   22 o   74.802   28.602   6.1648   7.7305   0.0000   0.0000   6.1648   7.7305  ?   ?    74.802   28.602 0.000000 28.60240 
1 1 1   12   12   23 o   76.459   24.331   8.1095   5.4241   23.800   13.022   4.8156   5.9663  123.285   37.464   66.337   25.184 56.94708 45.14215 
1 1 1   12   12   24 o  186.677   13.527   46.479   6.4965   41.890   13.207   47.943   7.4617  166.969   31.695  188.817   15.390 -21.84822 35.23363 
1 1 1   12   12   25 o  228.733   14.532   70.133   8.5651   66.850   14.596   71.857   10.578  214.927   26.799  229.542   17.933 -14.61424 32.24580 
1 1 1   12   12   26 o  104.896   27.701   16.563   7.6384   18.500   12.339   15.360   9.7260  107.894   36.809  100.041   32.650 7.853508 49.20339 
1 1 1   12   12   27 o   48.303   21.724  -1.8329   5.6913 -12.8500   11.639   1.6293   6.5245   56.703   27.237   58.857   24.876 -2.153877 36.88704 
1 1 1   12   12   28 o   80.652   28.430   9.2455   7.3877   23.320   12.926   2.4184   9.0029  117.507   37.579   67.738   28.946 49.76867 47.43475 
1 1 1   12   12   29 o  106.788   27.222   17.498   7.5525   19.410   13.759   16.673   9.0355  107.074   38.680  102.346   31.231 4.727943 49.71420 
1 1 1   12   12   30 o   84.321   25.743   10.763   6.1381   22.760   14.647   8.2071   6.7604  112.397   39.987   76.021   27.154 36.37542 48.33516 
1 1 1   12   12   31 o  194.303   14.799   51.633   7.3926   27.570   15.415   58.821   8.4246  119.897   41.140  206.653   15.859 -86.75569 44.09063 
1 1 1   12   12   32 o   75.326   28.367   8.1059   7.5319   0.0000   0.0000   8.1059   7.5319  ?   ?    75.326   28.367 0.000000 28.36664 
1 1 1   12   12   33 o   68.543   26.348   6.3208   6.5815   7.9380   14.500   5.9012   7.3861   82.115   35.906   68.762   27.464 13.35334 45.20529 
1 1 1   12   12   34 o   95.606   26.799   14.964   6.9037   22.750   14.266   12.583   7.8890  105.140   39.148   86.576   29.433 18.56396 48.97802 
1 1 1   12   12   35 o   88.443   26.935   13.013   6.7257   17.110   15.620   12.081   7.4519   92.747   38.803   84.570   28.607 8.176346 48.20822 
1 1 1   12   12   36 f   92.414   29.600   15.123   8.0176   19.490   14.385   13.156   9.6564   95.511   38.265   85.397   32.127 10.11481 49.96316 
1 1 1   12   12   37 o   85.267   33.100   13.802   10.465   34.750   15.914  -2.1580   13.891  119.264   41.749   65.719   31.049 53.54484 52.02903 
1 1 1   12   12   38 o  160.899   19.325   39.009   7.8930   34.013   11.388   43.628   10.950  132.449   33.245  159.800   27.441 -27.35156 43.10704 
1 1 1   12   12   39 o   53.651   24.577  -0.2834   7.7075   2.3417   11.764  -2.2578   10.202   64.552   29.855   56.793   26.763 7.758698 40.09471 
1 1 1   12   13    0 o  443.643   11.125  256.071   12.784  262.700   27.261  254.203   14.474  445.191   23.726  441.728   12.650 3.462524 26.88735 
1 1 1   12   13    1 o  505.914   18.937  335.900   24.816   0.0000   0.0000  335.900   24.816  ?   ?   505.914   18.937 0.000000 18.93670 
1 1 1   12   13    2 o  348.147   21.905  160.400   19.654  160.400   19.654   0.0000   0.0000  348.147   21.905  ?   ?  0.000000 21.90547 
1 1 1   12   13    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13    8 o  137.878   20.698   25.639   7.1641   16.524   10.041   35.090   10.225  109.340   32.824  160.373   25.464 -51.03265 41.54351 
1 1 1   12   13    9 o  219.783   13.304   63.342   7.5384   50.305   10.900   75.297   10.437  193.550   22.139  238.818   16.983 -45.26840 27.90227 
1 1 1   12   13   10 o  216.352   13.337   61.426   7.4381   49.072   11.070   71.594   10.043  190.758   22.859  232.792   16.767 -42.03445 28.34892 
1 1 1   12   13   11 o  189.811   13.901   47.422   6.7871   40.543   10.434   52.468   8.9362  172.627   23.981  198.800   17.533 -26.17252 29.70687 
1 1 1   12   13   12 o  276.421   11.795   99.805   8.4451   89.126   12.980  107.643   11.121  258.640   19.518  285.928   15.069 -27.28790 24.65779 
1 1 1   12   13   13 o  414.973   10.395  224.610   11.174  207.542   16.009  240.821   15.602  397.163   15.561  428.438   14.059 -31.27454 20.97153 
1 1 1   12   13   14 o   62.391   24.190   3.5455   5.5839   12.079   9.1728  -1.4784   7.0382   94.915   31.740   56.301   24.805 38.61423 40.28359 
1 1 1   12   13   15 o   90.826   22.693   11.515   5.3236   26.780   12.615   8.2073   5.8721  135.074   35.566   78.446   25.354 56.62797 43.67749 
1 1 1   12   13   16 o  162.395   14.428   34.978   6.0059   17.870   13.310   39.352   6.7301  112.704   38.231  172.093   15.256 -59.38963 41.16223 
1 1 1   12   13   17 o  233.981   11.358   71.675   6.8837   76.790   15.114   70.337   7.7322  236.210   25.086  231.061   12.971 5.149033 28.24134 
1 1 1   12   13   18 o  214.383   12.218   60.511   6.7565   62.520   15.062   60.005   7.5598  210.792   28.301  213.015   13.775 -2.223114 31.47509 
1 1 1   12   13   19 o  169.370   14.414   38.154   6.2634   36.240   13.425   38.687   7.0813  156.291   34.118  169.949   16.285 -13.65793 37.80555 
1 1 1   12   13   20 o  309.234   10.830  125.369   8.6753   89.930   17.657  136.646   9.9604  252.630   27.423  322.427   11.926 -69.79642 29.90387 
1 1 1   12   13   21 o  269.198   13.247   95.731   9.2374   0.0000   0.0000   95.731   9.2374  ?   ?   269.198   13.247 0.000000 13.24735 
1 1 1   12   13   22 o  219.517   15.671   64.616   8.8524   54.890   15.615   69.221   10.746  191.882   32.583  225.733   18.542 -33.85031 37.48907 
1 1 1   12   13   23 o   84.215   23.842   10.196   5.4361  -3.5680   12.950   13.140   5.9894   71.159   32.312   95.211   24.226 -24.05175 40.38482 
1 1 1   12   13   24 o   99.695   23.129   14.378   5.8573   19.290   12.694   13.049   6.6022  110.542   37.337   94.090   26.148 16.45184 45.58273 
1 1 1   12   13   25 o  183.099   20.353   46.753   9.4895   49.440   15.051   44.980   12.226  177.998   33.881  174.293   28.030 3.704742 43.97261 
1 1 1   12   13   26 o  136.303   21.931   26.535   7.4806   32.610   12.186   22.862   9.4763  143.286   33.442  121.487   30.234 21.79895 45.08300 
1 1 1   12   13   27 o   62.120   26.619   1.5369   7.6522   2.4660   10.445   0.4604   11.243   71.459   30.865   70.312   31.145 1.147408 43.84864 
1 1 1   12   13   28 o   57.290   25.456  -0.7581   7.5674  -1.5340   11.067  -0.0767   10.371   66.655   30.106   66.858   29.750 -0.2030106 42.32521 
1 1 1   12   13   29 o  139.437   18.673   27.396   6.5749   23.070   13.399   28.768   7.5458  114.180   38.361  141.316   21.274 -27.13544 43.86509 
1 1 1   12   13   30 o  159.543   16.846   35.421   6.8565   41.000   14.449   33.800   7.7894  153.469   36.819  153.679   20.045 -0.2096558 41.92158 
1 1 1   12   13   31 o   53.975   23.598   0.4268   6.2607  -7.7910   13.421   2.7123   7.0780   63.839   30.266   61.375   25.923 2.464111 39.85047 
1 1 1   12   13   32 o   93.701   33.020   15.199   9.9648   0.0000   0.0000   15.199   9.9648  ?   ?    93.701   33.020 0.000000 33.02011 
1 1 1   12   13   33 o   81.990   27.074   10.865   6.6804   33.120   14.218   4.5595   7.5678  128.322   39.181   65.464   27.166 62.85770 47.67773 
1 1 1   12   13   34 o  190.835   16.400   51.569   8.0281   45.920   16.256   53.391   9.2325  148.215   40.973  191.650   18.841 -43.43457 45.09714 
1 1 1   12   13   35 o  103.548   26.761   17.927   7.2297   20.290   16.157   17.335   8.0842   95.820   39.723   99.289   29.373 -3.468613 49.40339 
1 1 1   12   13   36 o   52.772   25.061  -5.5120   9.2761 -22.0400   14.046   7.2730   12.353   52.361   26.077   74.632   32.874 -22.27087 41.96022 
1 1 1   12   13   37 o   56.446   24.739   1.9659   6.9194  -5.5850   15.467   3.8554   7.7368   64.380   31.044   61.872   26.644 2.508289 40.91047 
1 1 1   12   13   38 o   62.111   26.912   4.2377   7.9905   1.3050   15.123   5.3737   9.4116   67.946   32.189   66.097   28.914 1.849556 43.26830 
1 1 1   12   14    0 o  583.096   12.100  443.132   18.275  432.700   33.621  447.507   21.773  571.689   22.704  585.217   14.363 -13.52783 26.86561 
1 1 1   12   14    1 o  658.757   10.556  564.760   18.013  576.210   26.140  554.408   24.856  663.688   15.205  651.208   14.735 12.47974 21.17372 
1 1 1   12   14    2 o  347.354   10.992  157.098   9.8904  132.060   14.062  181.608   13.913  316.814   17.200  372.762   14.409 -55.94778 22.43818 
1 1 1   12   14    3 o  195.239   14.737   50.125   7.3979   35.732   10.820   62.760   10.138  161.574   26.791  217.808   18.134 -56.23372 32.35114 
1 1 1   12   14    4 o  151.089   18.200   30.430   6.9797   21.936   10.564   37.011   9.2985  124.842   32.389  165.794   22.210 -40.95277 39.27274 
1 1 1   12   14    5 o  214.176   16.453   60.519   9.0579   86.040   20.242   54.130   10.128  249.967   31.997  201.682   19.637 48.28445 37.54227 
1 1 1   12   14    6 f  100.735   28.871   14.041   7.9217   13.790   17.520   14.106   8.8814  112.274   43.028  101.457   30.964 10.81622 53.01134 
1 1 1   12   14    7 o  201.272   14.488   53.309   7.5030   37.400   11.183   66.334   10.119  164.870   27.129  223.847   17.593 -58.97713 32.33385 
1 1 1   12   14    8 o  241.654   12.468   76.479   7.7777   72.159   11.328   80.332   10.698  233.024   18.931  246.576   16.850 -13.55203 25.34361 
1 1 1   12   14    9 o  230.942   13.005   69.971   7.7479   71.684   11.525   68.557   10.466  231.991   19.355  227.290   17.922 4.700958 26.37810 
1 1 1   12   14   10 o  288.836   11.632  108.953   8.7028   93.148   12.553  123.578   12.076  264.818   18.415  306.712   15.200 -41.89392 23.87770 
1 1 1   12   14   11 o  240.183   16.613   76.410   10.272   0.0000   0.0000   76.410   10.272  ?   ?   240.183   16.613 0.000000 16.61276 
1 1 1   12   14   12 o  205.121   14.362   55.535   7.5827   46.048   11.960   61.910   9.8050  182.740   26.001  215.609   17.713 -32.86871 31.46093 
1 1 1   12   14   13 o  272.250   12.096   97.037   8.5303   89.020   13.033  103.045   11.283  257.817   19.664  279.124   15.668 -21.30685 25.14314 
1 1 1   12   14   14 o  194.864   14.575   50.261   7.3034   48.538   11.308   51.494   9.5662  188.206   23.723  195.768   19.108 -7.562576 30.46149 
1 1 1   12   14   15 o  186.465   16.465   46.371   7.8708   45.630   14.605   46.674   9.3436  177.734   32.937  185.941   19.700 -8.206955 38.37871 
1 1 1   12   14   16 o  213.219   12.709   59.914   6.9873   50.480   16.022   62.130   7.7646  185.777   34.568  216.777   13.901 -30.99992 37.25807 
1 1 1   12   14   17 o  191.743   13.449   48.642   6.6374   53.320   15.491   47.591   7.3458  191.901   32.313  189.123   15.121 2.778076 35.67589 
1 1 1   12   14   18 o  185.469   13.495   45.585   6.4387   50.190   14.665   44.485   7.1664  185.990   31.568  182.621   15.290 3.369156 35.07619 
1 1 1   12   14   19 o  137.346   16.888   25.518   5.8816   24.320   13.831   25.782   6.4985  125.587   38.695  137.405   18.747 -11.81797 42.99747 
1 1 1   12   14   20 f  110.052   20.765   16.936   5.7025   1.8650   13.754   20.064   6.2665   81.219   35.249  119.958   20.928 -38.73891 40.99363 
1 1 1   12   14   21 o   78.157   29.344   7.3620   8.0482   0.0000   0.0000   7.3620   8.0482  ?   ?    78.157   29.344 0.000000 29.34424 
1 1 1   12   14   22 o  229.601   12.585   69.969   7.4559   53.710   16.372   74.224   8.3748  186.489   35.182  235.943   13.763 -49.45442 37.77832 
1 1 1   12   14   23 o  199.248   13.865   53.138   7.1114   48.670   14.942   54.447   8.0859  177.506   33.730  200.809   15.669 -23.30348 37.19202 
1 1 1   12   14   24 o  128.350   28.207   24.793   9.1220   24.490   14.548   24.990   11.710  120.621   39.959  124.649   34.890 -4.027687 53.04740 
1 1 1   12   14   25 o   97.061   24.104   13.913   6.0325   9.8290   12.843   15.069   6.8332   89.109   35.994  100.229   26.072 -11.11992 44.44473 
1 1 1   12   14   26 o   76.837   28.482   7.8876   7.5346  -3.1390   13.596   12.774   9.0515   71.317   32.659   91.616   31.519 -20.29958 45.38816 
1 1 1   12   14   27 o   75.663   30.814   6.1342   9.5007   5.5670   12.639   6.8710   14.405   80.385   34.322   85.165   36.510 -4.780678 50.10936 
1 1 1   12   14   28 o   65.608   26.357   4.4139   6.8461 -10.4400   13.299   9.7690   7.9854   62.406   29.741   81.711   29.475 -19.30436 41.87295 
1 1 1   12   14   29 o   97.690   24.408   14.529   6.1587   33.040   13.099   9.2767   6.9780  137.666   36.239   79.005   27.646 58.66095 45.58056 
1 1 1   12   14   30 o   59.781   24.798   2.9573   6.3026 -12.1800   13.758   6.9776   7.0904   60.977   29.372   71.864   27.413 -10.88723 40.17701 
1 1 1   12   14   31 o   61.141   26.135   2.4903   7.3436   0.0000   0.0000   2.4903   7.3436  ?   ?    61.141   26.135 0.000000 26.13502 
1 1 1   12   14   32 o  150.196   20.205   33.150   7.6615   60.250   17.202   26.444   8.5571  178.981   38.263  128.541   26.578 50.43951 46.58790 
1 1 1   12   14   33 o  122.552   23.920   23.492   7.3207   35.450   15.228   19.897   8.3488  128.341   40.760  107.719   29.193 20.62133 50.13583 
1 1 1   12   14   34 o   75.453   27.613   9.2139   7.0447   21.530   14.618   5.4879   8.0400   99.042   38.926   67.119   27.939 31.92350 47.91519 
1 1 1   12   14   35 o  105.586   34.522   22.340   10.871   20.270   16.299   24.000   14.592   93.877   39.477  101.802   39.206 -7.924690 55.63758 
1 1 1   12   14   36 o   81.052   28.335   11.673   7.3292   20.590   14.968   8.8600   8.4060   93.300   38.414   73.410   29.306 19.88934 48.31627 
1 1 1   12   14   37 o   96.031   28.603   17.028   7.6465   35.900   16.602   11.946   8.6146  113.416   42.231   79.548   30.247 33.86786 51.94530 
1 1 1   12   14   38 o   79.677   29.066   12.302   7.7968  -2.8630   16.221   16.859   8.8913   64.544   31.285   90.222   31.228 -25.67870 44.20344 
1 1 1   12   15    0 o  138.889   21.383   26.119   7.4461   10.351   11.084   39.088   10.052   94.405   34.623  169.874   23.472 -75.46983 41.82908 
1 1 1   12   15    1 o  199.455   15.341   52.447   7.8650   47.246   12.120   56.231   10.337  186.228   25.821  205.437   19.665 -19.20941 32.45664 
1 1 1   12   15    2 o  493.191   10.473  316.839   13.379  321.134   19.325  312.885   18.541  495.011   15.071  488.772   14.645 6.238831 21.01465 
1 1 1   12   15    3 o  253.806   12.777   84.366   8.3731   83.773   12.579   84.837   11.220  251.078   19.494  253.385   17.197 -2.306808 25.99492 
1 1 1   12   15    4 o  323.955   13.661  137.317   11.464  146.200   23.901  134.663   13.064  327.707   28.439  320.275   15.747 7.431519 32.50780 
1 1 1   12   15    5 o  127.577   24.786   22.490   7.8956   40.620   17.315   17.731   8.8716  166.471   40.534  112.197   29.962 54.27435 50.40515 
1 1 1   12   15    6 o  245.004   13.349   78.784   8.4398   71.705   12.314   85.054   11.590  231.526   20.754  253.333   17.775 -21.80708 27.32482 
1 1 1   12   15    7 o  410.023   10.734  219.280   11.401  202.533   16.612  234.192   15.675  392.238   16.350  422.578   14.320 -30.33945 21.73484 
1 1 1   12   15    8 o  268.789   12.397   94.497   8.6313   76.935   12.545  110.284   11.894  239.741   20.395  289.032   15.948 -49.29108 25.89017 
1 1 1   12   15    9 o  179.942   15.576   42.925   7.1883   30.188   10.686   53.452   9.7148  146.262   29.228  199.895   18.990 -53.63290 34.85555 
1 1 1   12   15   10 o  207.488   14.309   56.826   7.6435   43.114   11.248   68.589   10.419  176.952   25.257  226.908   17.871 -49.95590 30.93972 
1 1 1   12   15   11 o  107.023   24.430   16.068   6.6235   12.377   10.291   18.677   8.6544   96.824   33.591  114.360   29.134 -17.53648 44.46495 
1 1 1   12   15   12 o  171.949   16.211   39.410   7.1351   28.624   10.716   48.000   9.5631  141.352   30.185  188.650   19.869 -47.29752 36.13773 
1 1 1   12   15   13 o  267.336   12.365   93.736   8.5623   88.433   13.127   97.663   11.296  256.423   19.920  271.234   16.151 -14.81116 25.64489 
1 1 1   12   15   14 o  318.039   11.463  132.502   9.4431  129.096   14.322  135.121   12.560  310.957   17.856  319.814   15.161 -8.856903 23.42439 
1 1 1   12   15   15 o  140.473   18.707   26.791   6.6377   18.267   11.131   31.495   8.2689  111.836   34.755  151.367   21.711 -39.53152 40.97895 
1 1 1   12   15   16 o   53.649   22.535   0.9460   5.3009   16.250   14.249  -1.5124   5.7109  108.455   39.334   49.937   22.155 58.51839 45.14470 
1 1 1   12   15   17 o  141.566   17.234   27.110   6.1891   11.620   14.454   30.588   6.8488   99.164   38.787  150.225   17.956 -51.06124 42.74137 
1 1 1   12   15   18 o   84.298   24.674   10.063   5.7316   8.0480   15.009   10.408   6.2016   93.403   38.463   85.717   25.811 7.685287 46.32062 
1 1 1   12   15   19 o  127.871   18.605   22.454   5.9818   25.600   14.278   21.785   6.5878  127.242   39.334  124.935   21.109 2.306946 44.63980 
1 1 1   12   15   20 o   51.709   23.684  -3.8668   7.1543   0.0000   0.0000  -3.8668   7.1543  ?   ?    51.709   23.684 0.000000 23.68365 
1 1 1   12   15   21 o   61.859   23.882   3.9626   5.4250 -11.3700   11.714   8.1488   6.1209   58.978   28.053   76.925   25.927 -17.94660 38.19938 
1 1 1   12   15   22 o  175.044   18.255   42.098   8.1556   25.320   14.271   50.236   9.9383  123.481   39.485  189.980   20.521 -66.49914 44.49914 
1 1 1   12   15   23 o  135.814   27.149   27.476   9.2172   21.080   14.755   31.570   11.804  112.849   40.136  141.792   32.791 -28.94308 51.82823 
1 1 1   12   15   24 o   71.167   25.250   6.8016   5.8363   7.6650   12.635   6.5674   6.5804   84.791   35.137   71.708   26.610 13.08358 44.07627 
1 1 1   12   15   25 o   68.729   25.667   5.9399   6.1412   5.9760   13.536   5.9305   6.8912   82.933   35.467   70.215   26.968 12.71809 44.55566 
1 1 1   12   15   26 o  150.869   20.664   32.435   7.8632   43.400   13.716   27.068   9.5967  163.937   33.434  132.098   28.854 31.83961 44.16320 
1 1 1   12   15   27 o   39.268   19.288 -12.1223   6.7823 -10.5400   11.797 -12.9036   8.2893   58.193   27.810   44.592   21.781 13.60035 35.32458 
1 1 1   12   15   28 o   60.191   25.809   1.7805   7.2015 -10.4900   13.082   7.1163   8.6263   61.238   29.271   75.109   29.781 -13.87078 41.75758 
1 1 1   12   15   29 o   78.523   28.088   9.2787   7.2362   0.1001   13.801   12.759   8.4981   72.722   33.150   88.821   30.542 -16.09855 45.07448 
1 1 1   12   15   30 o  101.598   25.923   16.376   6.8446   9.9010   14.787   18.141   7.7216   85.362   36.797  105.620   27.832 -20.25851 46.13770 
1 1 1   12   15   31 o  110.019   33.145   21.856   10.225   0.0000   0.0000   21.856   10.225  ?   ?   110.019   33.145 0.000000 33.14519 
1 1 1   12   15   32 o  110.266   25.133   19.486   7.0188   15.940   14.798   20.516   7.9726   91.135   37.918  110.747   27.826 -19.61169 47.03244 
1 1 1   12   15   33 o  140.743   20.655   29.823   7.3060   19.600   15.035   32.983   8.3593   95.218   38.769  145.921   22.867 -50.70371 45.01049 
1 1 1   12   15   34 o   84.502   29.846   12.808   8.1458   31.140   14.764   4.7851   9.7670  115.573   40.226   67.731   29.546 47.84145 49.91119 
1 1 1   12   15   35 o   84.637   30.102   13.260   8.2997   21.820   16.640   10.425   9.5759   93.699   39.671   77.234   31.121 16.46458 50.42150 
1 1 1   12   15   36 o   63.669   26.345   5.5104   7.0877   8.6140   15.025   4.6221   8.0384   75.430   34.464   63.182   27.184 12.24778 43.89425 
1 1 1   12   15   37 o   77.297   28.471   11.249   7.5064   33.870   17.409   6.0836   8.3195  103.910   41.930   65.303   27.863 38.60658 50.34351 
1 1 1   12   16    0 o  300.505   12.342  118.051   9.6070  117.079   14.031  118.909   13.182  297.085   18.322  299.882   17.040 -2.796783 25.02095 
1 1 1   12   16    1 o  304.663   12.104  121.302   9.5517  104.752   13.906  136.086   13.143  280.590   19.249  321.691   15.773 -41.10083 24.88561 
1 1 1   12   16    2 o  257.767   13.317   87.231   8.8616   75.812   13.127   96.790   12.011  237.630   21.561  270.360   17.241 -32.73045 27.60714 
1 1 1   12   16    3 o  200.254   18.196   53.436   9.3354   57.950   18.858   51.971   10.744  200.121   37.763  196.398   21.470 3.723053 43.43945 
1 1 1   12   16    4 o  331.477   13.636  144.032   11.708  124.000   23.897  150.359   13.430  298.684   31.355  338.145   15.333 -39.46121 34.90350 
1 1 1   12   16    5 o  381.878   11.178  190.454   11.057  160.671   15.780  219.187   15.499  348.226   17.550  408.458   14.649 -60.23230 22.86068 
1 1 1   12   16    6 o  261.710   13.304   90.016   8.9895   82.023   13.505   96.376   12.046  246.972   21.319  269.471   17.350 -22.49899 27.48683 
1 1 1   12   16    7 o  197.678   15.384   51.764   7.8153   48.980   12.064   53.778   10.259  188.730   25.316  199.981   20.075 -11.25090 32.30980 
1 1 1   12   16    8 o  163.397   18.103   35.823   7.5333   23.908   11.566   44.604   9.9283  128.067   34.214  181.313   21.562 -53.24599 40.44190 
1 1 1   12   16    9 o  282.601   12.258  104.650   8.9728   99.668   13.199  108.930   12.235  273.078   18.773  286.509   16.556 -13.43018 25.03105 
1 1 1   12   16   10 o  274.552   12.491   98.869   8.8835   78.138   12.722  118.597   12.410  240.703   20.603  299.063   16.079 -58.36044 26.13465 
1 1 1   12   16   11 o   75.165   26.478   7.0423   6.4067   12.661   9.6413   2.5993   8.5733   96.332   32.539   69.690   28.917 26.64137 43.53151 
1 1 1   12   16   12 o  125.164   22.310   21.734   6.9680   17.045   11.079   24.803   8.9624  108.798   34.791  132.080   27.105 -23.28165 44.10281 
1 1 1   12   16   13 o   86.333   27.357   10.313   6.8627  -0.9063   11.465   16.576   8.5669   72.216   31.743  107.033   29.801 -34.81662 43.53978 
1 1 1   12   16   14 o  123.947   22.412   21.420   6.9308   8.8878   11.386   28.796   8.7355   89.253   34.560  143.342   24.401 -54.08805 42.30592 
1 1 1   12   16   15 o  196.949   15.045   51.688   7.6173   54.454   12.497   50.052   9.6085  197.530   24.983  191.939   19.601 5.590820 31.75456 
1 1 1   12   16   16 o  348.844   11.315  159.825   10.224  154.930   15.175  163.894   13.836  339.935   17.291  351.300   15.205 -11.36563 23.02522 
1 1 1   12   16   17 o  140.446   17.539   26.828   6.2416  -3.4900   13.991   34.361   6.9741   74.799   33.812  159.324   17.170 -84.52496 37.92141 
1 1 1   12   16   18 o  205.759   13.556   56.328   7.1846   81.170   18.113   51.690   7.8266  235.755   30.366  196.257   15.522 39.49739 34.10320 
1 1 1   12   16   19 o  135.730   26.091   26.729   8.8398   0.0000   0.0000   26.729   8.8398  ?   ?   135.730   26.091 0.000000 26.09082 
1 1 1   12   16   20 o  154.011   17.072   32.379   6.6962   27.620   16.274   33.349   7.3470  127.806   42.260  155.605   18.596 -27.79855 46.17045 
1 1 1   12   16   21 f  224.769   17.686   69.057   10.214   71.560   16.873   67.610   12.832  218.012   30.731  218.516   23.017 -0.5034485 38.39541 
1 1 1   12   16   22 o  104.977   23.705   16.159   6.2934   23.700   14.444   14.392   6.9919  118.112   39.828   97.783   26.806 20.32964 48.00847 
1 1 1   12   16   23 o  158.160   16.422   34.309   6.6298   44.610   14.724   31.689   7.4251  165.663   35.387  150.248   19.541 15.41533 40.42370 
1 1 1   12   16   24 o  108.426   23.461   17.364   6.3978   9.8820   12.750   19.882   7.3964   87.902   35.736  115.034   25.493 -27.13239 43.89655 
1 1 1   12   16   25 o  158.456   20.249   35.683   8.1211   35.530   14.430   35.754   9.8248  142.560   38.272  154.925   25.360 -12.36440 45.91127 
1 1 1   12   16   26 o   95.335   25.281   13.899   6.3447  -2.0450   13.997   18.022   7.1180   72.023   33.039  108.516   25.716 -36.49261 41.86789 
1 1 1   12   16   27 o   80.668   28.469   9.8114   7.4101   9.2520   12.894   10.087   9.0549   84.757   35.340   82.531   31.098 2.225227 47.07426 
1 1 1   12   16   28 f   77.599   28.781   8.8735   7.6958   1.0020   13.213   12.915   9.4674   72.541   32.818   89.003   32.096 -16.46238 45.90400 
1 1 1   12   16   29 o  112.395   26.736   20.185   7.6704   22.200   14.075   19.334   9.1483  106.291   39.010  106.209   31.197 0.8184814E-01 49.95064 
1 1 1   12   16   30 f   94.806   33.320   16.214   10.141   0.0000   0.0000   16.214   10.141  ?   ?    94.806   33.320 0.000000 33.31957 
1 1 1   12   16   31 o   51.876   23.459  -0.9507   6.7431  -6.2120   13.808   0.6971   7.7272   63.590   30.305   57.682   25.672 5.907978 39.71750 
1 1 1   12   16   32 o   54.640   24.209   0.7275   6.7965 -12.0000   13.503   5.0456   7.8654   57.725   28.109   65.722   27.519 -7.997566 39.33701 
1 1 1   12   16   33 o   97.640   27.581   16.554   7.2832   19.140   15.054   15.763   8.3219   92.470   38.340   92.667   30.200 -0.1970520 48.80533 
1 1 1   12   16   34 o  105.397   29.873   20.435   8.5290   2.3410   14.815   29.405   10.431   70.204   32.818  124.680   32.105 -54.47591 45.91015 
1 1 1   12   16   35 o   60.439   25.831   3.9763   7.1721   41.940   15.802  -5.8732   8.0489  129.016   41.580   47.852   22.896 81.16364 47.46708 
1 1 1   12   16   36 o   52.210   23.769   0.0089   7.0668   6.4900   14.642  -1.9593   8.0688   71.201   33.062   51.982   24.273 19.21891 41.01582 
1 1 1   12   16   37 f   73.543   28.695   10.482   7.8959   6.2480   15.619   11.936   9.1514   69.518   32.868   76.082   30.506 -6.564766 44.84307 
1 1 1   12   17    0 o  233.266   14.775   71.869   8.8815   60.086   13.280   81.403   11.946  209.398   24.977  246.866   18.824 -37.46805 31.27575 
1 1 1   12   17    1 o  271.109   15.332   97.127   10.723   74.860   21.009  104.971   12.470  227.232   36.964  281.162   17.204 -53.92967 40.77178 
1 1 1   12   17    2 o   88.311   31.091   9.9173   8.8328   18.550   18.801   7.4723   10.006  119.452   44.850   84.506   32.486 34.94626 55.37936 
1 1 1   12   17    3 o  281.563   12.930  103.970   9.4304   89.893   14.116  115.317   12.674  258.294   21.288  294.884   16.660 -36.58960 27.03184 
1 1 1   12   17    4 f  240.210   14.120   76.123   8.7469   48.077   12.841  100.404   11.948  185.694   27.530  274.964   16.856 -89.27017 32.27999 
1 1 1   12   17    5 o  212.608   16.044   60.045   8.7707   42.162   13.288   73.852   11.675  171.968   30.969  234.621   19.385 -62.65306 36.53568 
1 1 1   12   17    6 o  322.199   12.364  136.118   10.319  121.248   15.301  148.524   13.976  300.664   19.756  335.139   16.100 -34.47482 25.48522 
1 1 1   12   17    7 o  495.190   10.812  320.687   13.869  322.978   20.682  318.815   18.695  494.018   16.163  491.745   14.677 2.272827 21.83189 
1 1 1   12   17    8 o  291.233   12.400  111.308   9.3544  109.494   13.900  112.810   12.647  285.830   18.881  291.137   16.842 -5.306824 25.30066 
1 1 1   12   17    9 o  396.685   11.128  206.056   11.434  205.004   16.967  206.931   15.477  393.010   16.667  395.712   15.099 -2.701569 22.48922 
1 1 1   12   17   10 o  203.192   15.287   54.913   7.9872   52.533   12.262   56.667   10.527  194.608   24.896  204.506   20.133 -9.898682 32.01734 
1 1 1   12   17   11 o  103.361   26.111   15.282   6.9932   23.015   10.791   9.6822   9.1826  124.690   32.923   87.345   31.592 37.34513 45.62887 
1 1 1   12   17   12 o  195.662   15.967   51.157   8.0217   52.806   12.199   49.901   10.648  194.783   24.735  190.669   21.960 4.113297 33.07668 
1 1 1   12   17   13 o  288.115   12.606  109.304   9.4082   98.163   14.307  117.794   12.488  268.626   20.721  297.059   16.292 -28.43314 26.35866 
1 1 1   12   17   14 o  294.860   12.518  114.555   9.5608   90.218   14.649  132.615   12.619  256.168   22.299  315.861   15.424 -59.69284 27.11315 
1 1 1   12   17   15 o  135.592   21.194   25.558   7.2000   22.395   11.530   27.580   9.2183  121.073   34.870  138.406   26.680 -17.33254 43.90588 
1 1 1   12   17   16 o   76.097   27.343   7.3984   6.8649   14.597   11.336   3.2297   8.6266  100.543   35.234   69.979   29.019 30.56409 45.64599 
1 1 1   12   17   17 o  228.097   18.954   71.030   11.098   0.0000   0.0000   71.030   11.098  ?   ?   228.097   18.954 0.000000 18.95430 
1 1 1   12   17   18 o   97.408   28.513   14.122   7.6537   27.610   16.697   10.534   8.6117  127.939   42.823   86.901   30.689 41.03828 52.68418 
1 1 1   12   17   19 o  170.860   21.298   40.950   9.2213   49.470   16.370   36.990   11.160  175.525   37.162  157.829   28.341 17.69571 46.73554 
1 1 1   12   17   20 o  216.630   19.019   64.851   10.564   58.100   17.694   68.590   13.169  189.188   37.431  219.273   23.554 -30.08540 44.22544 
1 1 1   12   17   21 o   72.612   25.810   7.1246   6.1009   5.6070   15.014   7.4247   6.6770   85.418   36.950   74.412   26.936 11.00578 45.72542 
1 1 1   12   17   22 o   58.054   23.902   2.4799   5.7950   4.7250   13.276   1.9515   6.4410   80.556   34.796   58.939   24.803 21.61730 42.73088 
1 1 1   12   17   23 o  151.300   17.002   31.701   6.5479   35.740   13.278   30.403   7.5269  146.302   35.416  146.101   20.449 0.2012024 40.89592 
1 1 1   12   17   24 o  109.703   27.593   18.733   7.8335   28.540   13.792   14.063   9.5175  126.324   38.594   93.893   32.320 32.43034 50.33939 
1 1 1   12   17   25 o  128.964   20.318   23.955   6.5626   31.360   13.766   21.778   7.4655  132.063   38.121  119.964   24.842 12.09875 45.50079 
1 1 1   12   17   26 o   56.689   23.914   1.9803   6.0110   6.8010   13.923   0.8759   6.6640   81.901   35.505   56.432   24.514 25.46994 43.14542 
1 1 1   12   17   27 o   90.201   26.044   12.837   6.4246   6.5210   13.158   14.814   7.3618   79.532   34.497   95.740   27.947 -16.20863 44.39677 
1 1 1   12   17   28 o  122.987   25.986   23.862   8.0191   21.210   14.194   25.106   9.7190  103.756   38.966  121.698   30.803 -17.94258 49.67105 
1 1 1   12   17   29 o   61.576   27.724   0.3144   9.2981   0.0000   0.0000   0.3144   9.2981  ?   ?    61.576   27.724 0.000000 27.72367 
1 1 1   12   17   30 o   77.282   31.566   9.1412   10.007 -14.5300   14.538   30.460   13.796   58.658   28.693  120.227   38.863 -61.56934 48.30695 
1 1 1   12   17   31 o   42.308   20.342  -6.8700   6.5261  -8.8290   14.047  -6.3308   7.3697   60.967   29.445   46.075   22.008 14.89223 36.76136 
1 1 1   12   17   32 o   85.190   30.377   13.329   8.4570   33.230   14.920   3.9092   10.265  118.422   40.476   66.721   29.648 51.70037 50.17305 
1 1 1   12   17   33 o   67.937   29.953   5.1992   10.281   20.110   14.866  -8.4690   14.233   91.938   38.107   60.146   29.189 31.79146 48.00139 
1 1 1   12   17   34 o   99.800   27.598   17.920   7.3739   35.600   15.696   12.912   8.3531  115.626   41.366   82.171   30.069 33.45530 51.14005 
1 1 1   12   17   35 o   98.264   28.017   17.972   7.4791   48.810   16.574   10.086   8.3809  135.357   42.466   73.835   29.330 61.52229 51.61026 
1 1 1   12   17   36 f   47.429   22.375  -3.0194   7.1670   7.4670   14.846  -6.2058   8.1838   70.251   32.844   46.719   22.542 23.53246 39.83533 
1 1 1   12   18    0 o  207.085   19.301   57.771   10.234   33.550   20.368   65.951   11.837  145.887   47.226  220.630   20.963 -74.74197 51.67005 
1 1 1   12   18    1 o  343.687   13.948  155.563   12.417  135.800   23.879  162.888   14.537  310.781   30.037  350.768   15.999 -39.98691 34.03259 
1 1 1   12   18    2 o  289.422   13.611  110.243   10.204   79.825   15.025  136.279   13.901  241.038   24.401  320.037   16.827 -78.99884 29.64066 
1 1 1   12   18    3 o  100.465   27.950   14.416   7.5391   12.210   11.807   15.934   9.7962   97.675   35.748  105.358   32.582 -7.682297 48.36827 
1 1 1   12   18    4 f  153.663   20.971   32.294   8.1291   26.518   12.543   36.477   10.674  133.264   35.643  161.106   26.500 -27.84132 44.41492 
1 1 1   12   18    5 o  119.456   26.753   20.368   8.0724   12.369   12.522   26.057   10.559   98.799   36.699  133.703   31.080 -34.90422 48.09085 
1 1 1   12   18    6 o  410.340   11.504  220.772   12.227  201.692   17.676  238.281   16.932  389.074   17.538  424.250   15.408 -35.17569 23.34512 
1 1 1   12   18    7 o  139.480   22.502   26.978   7.8530   20.453   12.158   31.650   10.287  117.313   36.300  149.034   27.666 -31.72101 45.64132 
1 1 1   12   18    8 o  161.856   19.062   35.566   7.8386   24.998   11.868   43.742   10.439  129.129   34.728  177.875   23.211 -48.74580 41.77033 
1 1 1   12   18    9 o  201.113   15.575   53.968   8.0502   43.796   12.380   61.420   10.597  175.268   28.227  212.953   19.424 -37.68497 34.26430 
1 1 1   12   18   10 o  100.713   26.820   14.624   7.1214   25.451   11.120   7.0963   9.2722  130.571   32.894   80.788   31.213 49.78336 45.34621 
1 1 1   12   18   11 o  114.991   25.026   18.902   7.2427   4.7277   10.951   29.924   9.6565   79.528   32.813  144.619   26.763 -65.09113 42.34384 
1 1 1   12   18   12 o   90.363   27.422   11.687   6.9800  -3.6685   10.961   22.161   9.0528   66.056   29.887  122.898   28.919 -56.84179 41.58795 
1 1 1   12   18   13 o  155.072   19.448   32.988   7.6403   27.176   12.141   36.799   9.8309  133.031   34.826  161.559   24.239 -28.52774 42.43084 
1 1 1   12   18   14 o  157.466   19.508   34.091   7.7867   24.845   12.664   39.710   9.8735  125.937   36.624  168.160   23.293 -42.22272 43.40382 
1 1 1   12   18   15 o   77.615   28.503   7.6175   7.5153 -16.1200   17.090   13.309   8.3678   69.993   33.455   95.162   30.214 -25.16963 45.07965 
1 1 1   12   18   16 o   70.471   31.323  -0.8241   11.466   9.3910   17.063  -9.2350   15.483   96.222   40.424   71.416   33.437 24.80679 52.46065 
1 1 1   12   18   17 o  126.575   30.475   24.486   9.8720   19.000   15.199   28.490   12.984  109.764   40.499  132.646   36.596 -22.88229 54.58416 
1 1 1   12   18   18 o   73.254   29.255   5.5883   8.3797  -8.8560   14.481   12.860   10.275   68.409   32.127   93.392   33.463 -24.98264 46.38891 
1 1 1   12   18   19 o  189.641   14.702   48.613   7.1656   55.370   16.472   47.035   7.9581  185.561   35.565  185.379   16.754 0.1826782 39.31347 
1 1 1   12   18   20 o  169.199   16.474   39.282   7.1287   18.590   15.932   44.462   7.9712  106.145   40.942  179.556   17.355 -73.41096 44.46802 
1 1 1   12   18   21 o  161.800   16.407   36.036   6.7811   22.500   14.769   39.652   7.6333  112.823   40.152  168.999   17.700 -56.17603 43.87992 
1 1 1   12   18   22 f  164.087   16.372   37.149   6.8660   17.210   14.265   43.161   7.8329  101.424   38.837  176.305   17.378 -74.88107 42.54765 
1 1 1   12   18   23 f  163.434   19.960   38.062   8.2743   30.760   13.645   42.309   10.406  131.203   37.975  168.718   24.529 -37.51462 45.20833 
1 1 1   12   18   24 f   80.333   25.640   9.8113   6.0197   17.640   14.018   8.0412   6.6656  100.444   38.490   74.779   26.936 25.66428 46.97915 
1 1 1   12   18   25 o   69.544   25.744   6.6541   6.1514   15.510   13.065   4.1315   6.9727   95.250   36.981   64.335   26.322 30.91509 45.39183 
1 1 1   12   18   26 o  200.177   14.740   55.186   7.5892   72.620   17.058   50.883   8.4740  208.061   32.733  189.973   17.414 18.08737 37.07671 
1 1 1   12   18   27 o   69.167   26.134   6.7222   6.4056   5.7040   13.413   7.0230   7.2907   77.249   34.129   71.148   27.625 6.101028 43.90802 
1 1 1   12   18   28 o   60.858   26.488   2.2116   7.8109 -16.7800   13.688   11.381   9.5115   55.805   27.409   82.586   31.691 -26.78066 41.89966 
1 1 1   12   18   29 o   91.603   33.788   15.909   10.578   0.0000   0.0000   15.909   10.578  ?   ?    91.603   33.788 0.000000 33.78808 
1 1 1   12   18   30 o  201.274   18.524   59.455   9.5494   30.900   17.053   72.500   11.526  109.887   42.366  219.541   20.505 -109.6539 47.06729 
1 1 1   12   18   31 o   73.593   29.417   8.8603   8.4813   7.5320   15.033   9.4806   10.272   76.083   34.649   75.751   31.560 0.3316116 46.86829 
1 1 1   12   18   32 o   46.586   22.398  -6.8334   7.9117  -8.5240   14.571  -6.1265   9.4217   60.392   29.360   51.675   24.738 8.717136 38.39221 
1 1 1   12   18   33 o   69.462   27.157   8.0180   7.0833   17.510   14.873   5.2335   8.0556   85.635   36.910   64.041   27.374 21.59467 45.95295 
1 1 1   12   18   34 o   93.970   27.907   16.554   7.2868   6.9200   15.500   19.287   8.2560   71.706   33.535   99.338   29.751 -27.63213 44.83033 
1 1 1   12   18   35 o  108.877   27.769   22.261   7.8561   25.130   15.682   21.300   9.0773   90.412   38.408  100.288   31.422 -9.875839 49.62308 
1 1 1   12   19    0 o  161.981   23.834   36.536   9.7013   35.010   20.520   36.975   11.009  146.474   47.400  161.281   27.329 -14.80725 54.71420 
1 1 1   12   19    1 o  154.507   21.503   32.876   8.3727   37.198   13.126   29.911   10.872  158.731   33.000  143.326   30.235 15.40497 44.75641 
1 1 1   12   19    2 o  160.735   20.980   35.448   8.5266   27.681   12.893   41.486   11.367  135.063   36.142  171.451   26.446 -36.38803 44.78470 
1 1 1   12   19    3 o  194.972   17.146   51.060   8.5712   44.230   12.955   56.378   11.431  175.362   29.572  202.620   22.139 -27.25822 36.94109 
1 1 1   12   19    4 o  169.100   19.373   38.903   8.3326   45.668   12.983   34.163   10.866  178.442   29.090  154.309   28.225 24.13353 40.53223 
1 1 1   12   19    5 o  212.895   16.597   60.727   9.0801   63.879   13.739   58.283   12.099  213.847   25.293  205.369   23.147 8.478149 34.28635 
1 1 1   12   19    6 o  224.392   15.505   67.182   8.9571   62.969   13.622   70.390   11.889  212.181   25.282  227.329   20.407 -15.14735 32.49063 
1 1 1   12   19    7 o  131.675   30.281   25.523   10.113   0.0000   0.0000   25.523   10.113  ?   ?   131.675   30.281 0.000000 30.28119 
1 1 1   12   19    8 o  171.962   18.060   40.087   7.9242   28.197   11.820   49.793   10.680  136.671   33.620  189.842   22.133 -53.17099 40.25103 
1 1 1   12   19    9 o  215.535   15.582   62.158   8.6410   54.990   13.080   67.710   11.511  196.979   26.291  222.651   20.177 -25.67192 33.14119 
1 1 1   12   19   10 o   83.105   28.665   9.3667   7.4889   11.445   11.937   8.0178   9.6168   94.240   35.659   82.984   31.861 11.25517 47.81964 
1 1 1   12   19   11 o  122.064   24.681   21.378   7.5354   15.360   11.654   25.702   9.8780  102.512   35.737  131.607   29.683 -29.09545 46.45649 
1 1 1   12   19   12 o  192.865   16.403   50.201   8.1168   50.520   12.518   49.970   10.662  187.694   26.484  189.363   22.155 -1.668594 34.52895 
1 1 1   12   19   13 o  193.952   18.878   51.532   9.3640   25.260   19.336   59.580   10.703  123.486   45.656  207.912   20.125 -84.42648 49.89501 
1 1 1   12   19   14 o  282.312   30.094  117.700   21.668   0.0000   0.0000  117.700   21.668  ?   ?   282.312   30.094 0.000000 30.09384 
1 1 1   12   19   15 o   61.486   29.844 -19.1200   14.898 -19.1200   14.898   0.0000   0.0000   61.486   29.844  ?   ?  0.000000 29.84434 
1 1 1   12   19   16 o  142.579   34.364   32.450   12.542   0.0000   0.0000   32.450   12.542  ?   ?   142.579   34.364 0.000000 34.36434 
1 1 1   12   19   17 o  177.709   17.002   43.326   7.7309   39.797   11.241   46.493   10.649  163.233   27.568  179.856   23.413 -16.62305 36.16854 
1 1 1   12   19   18 o  116.380   40.195   23.690   14.727   23.690   14.727   0.0000   0.0000  116.380   40.195  ?   ?  0.000000 40.19491 
1 1 1   12   19   19 o  123.781   20.975   22.026   6.4851   6.1170   14.573   25.954   7.2417   84.184   36.410  134.222   21.559 -50.03787 42.31351 
1 1 1   12   19   20 o   64.285   25.156   4.6255   6.0823   1.9240   13.618   5.2987   6.7980   76.325   34.017   67.772   26.575 8.552902 43.16657 
1 1 1   12   19   21 o   89.937   26.050   12.459   6.4186   11.950   13.875   12.598   7.2398   90.964   37.164   89.809   28.049 1.154579 46.56059 
1 1 1   12   19   22 o  165.813   20.151   39.392   8.4770   29.130   15.015   44.194   10.270  123.662   40.577  172.851   23.552 -49.18932 46.91707 
1 1 1   12   19   23 o  159.883   17.878   36.056   7.2773   52.660   15.186   31.107   8.2913  176.223   34.504  144.786   22.867 31.43687 41.39349 
1 1 1   12   19   24 o   86.599   25.944   11.801   6.2775  -9.2890   13.279   17.871   7.1237   61.839   29.540  106.534   26.035 -44.69433 39.37536 
1 1 1   12   19   25 o  101.486   25.325   16.264   6.6359   0.3724   14.355   20.583   7.4835   72.708   33.393  114.084   25.914 -41.37547 42.26810 
1 1 1   12   19   26 o   54.054   23.555   0.9670   6.1934 -29.0100   14.052   8.1950   6.8998   50.241   25.180   73.651   27.265 -23.41029 37.11325 
1 1 1   12   19   27 o   67.559   25.902   6.4841   6.3500   5.5890   13.884   6.7209   7.1407   75.927   34.056   69.192   27.203 6.734795 43.58684 
1 1 1   12   19   28 o  102.787   39.347   23.910   14.640   0.0000   0.0000   23.910   14.640  ?   ?   102.787   39.347 0.000000 39.34703 
1 1 1   12   19   29 o  187.274   20.014   52.717   9.5585   30.010   16.962   63.283   11.571  107.358   42.010  201.713   22.530 -94.35429 47.67037 
1 1 1   12   19   30 o   54.910   25.988  -4.1609   9.8100 -26.1400   15.054   12.060   12.933   51.732   25.946   80.306   34.514 -28.57454 43.17922 
1 1 1   12   19   31 o   50.526   23.763  -3.3852   7.9701 -15.4300   15.043   1.3153   9.3975   56.516   27.943   60.168   27.399 -3.652378 39.13490 
1 1 1   12   19   32 o   62.531   26.139   5.2820   7.0798   5.8090   15.618   5.1457   7.9428   71.730   33.583   63.404   27.143 8.325848 43.18121 
1 1 1   12   19   33 o   53.315   23.983   1.0707   6.9403 -18.5400   15.350   6.1099   7.7810   53.989   26.947   64.335   27.177 -10.34591 38.27156 
1 1 1   12   19   34 o   57.131   25.071   3.3727   7.1256   14.350   15.007   0.1773   8.0966   76.734   34.820   53.837   24.853 22.89670 42.77958 
1 1 1   12   19   35 f   43.364   20.981  -5.9715   7.2127   9.6670   15.558 -10.2527   8.1403   69.720   32.914   42.211   20.811 27.50914 38.94157 
1 1 1   12   20    0 o  183.966   30.824   49.513   14.169   35.870   20.293   62.490   19.792  145.886   47.131  200.199   39.569 -54.31322 61.53850 
1 1 1   12   20    1 o  203.426   21.204   56.890   11.009   62.140   21.489   55.022   12.819  196.164   43.436  197.452   25.670 -1.287170 50.45463 
1 1 1   12   20    2 o  179.479   19.443   43.990   8.8948   43.395   13.194   44.486   12.042  172.001   30.743  176.345   27.241 -4.344864 41.07604 
1 1 1   12   20    3 o  267.649   14.235   95.236   9.8332   88.926   14.250  100.973   13.586  254.214   21.853  272.678   19.361 -18.46449 29.19585 
1 1 1   12   20    4 o   63.751   26.763   1.9008   7.4705   5.5899   11.470  -0.8171   9.8450   81.879   33.659   66.530   29.324 15.34976 44.64106 
1 1 1   12   20    5 o  170.766   18.485   39.725   8.0462   36.711   12.537   41.837   10.492  156.865   31.939  172.433   24.154 -15.56813 40.04377 
1 1 1   12   20    6 o  146.555   22.001   30.003   8.0941   4.6379   12.415   48.755   10.675   82.069   34.480  187.186   22.464 -105.1167 41.15237 
1 1 1   12   20    7 o  264.684   13.928   93.204   9.5153  100.497   14.539   87.739   12.585  270.481   20.913  253.726   19.293 16.75545 28.45340 
1 1 1   12   20    8 o  172.132   18.329   40.443   8.0468   21.804   12.029   55.539   10.825  118.280   36.022  200.376   21.178 -82.09584 41.78647 
1 1 1   12   20    9 o  236.901   14.537   75.018   8.8774   71.081   13.615   77.930   11.709  224.905   23.728  238.835   19.085 -13.93011 30.45151 
1 1 1   12   20   10 o   68.845   32.776 -14.0400   16.064   0.0000   0.0000 -14.0400   16.064  ?   ?    68.845   32.776 0.000000 32.77617 
1 1 1   12   20   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   20   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   20   13 o  109.587   28.535   18.226   8.1798   16.053   11.718   20.290   11.423  101.902   35.817  112.536   35.247 -10.63492 50.25166 
1 1 1   12   20   14 o  158.905   18.996   35.120   7.6639   46.772   11.832   26.698   10.059  178.426   26.398  131.626   30.151 46.80017 40.07407 
1 1 1   12   20   15 o  102.478   26.578   15.889   7.1149   6.0407   11.534   21.938   9.0397   79.931   33.384  118.989   29.480 -39.05769 44.53752 
1 1 1   12   20   16 o   91.454   27.237   12.739   6.9341   2.0749   10.336   21.467   9.3506   70.228   30.518  116.490   30.595 -46.26149 43.21327 
1 1 1   12   20   17 o   84.011   27.510   10.621   6.9025  -4.8406   10.041   24.471   9.5038   59.275   27.474  124.586   29.843 -65.31112 40.56323 
1 1 1   12   20   18 o  133.929   21.386   25.949   7.1697   16.178   10.648   34.052   9.6972   99.114   34.182  150.440   25.814 -51.32662 42.83409 
1 1 1   12   20   19 o   36.589   17.730  -7.6106   5.2013 -10.7900   13.310  -7.0375   5.6506   61.708   29.504   39.485   18.969 22.22325 35.07573 
1 1 1   12   20   20 o   39.398   19.032  -7.9068   5.8751 -11.4800   13.307  -7.0416   6.5478   60.811   29.187   43.420   20.741 17.39109 35.80636 
1 1 1   12   20   21 o   60.062   25.656   2.0764   7.0680   2.5320   12.383   1.8562   8.6079   73.223   32.549   63.871   27.803 9.351646 42.80685 
1 1 1   12   20   22 o  140.473   19.425   28.440   6.8788   6.0620   14.364   35.100   7.8358   80.435   35.438  155.904   19.854 -75.46944 40.62027 
1 1 1   12   20   23 o  180.374   16.543   45.630   7.6429  -1.6290   15.895   59.842   8.7167   73.382   34.199  206.845   16.403 -133.4630 37.92963 
1 1 1   12   20   24 o  127.105   21.327   24.127   6.7731   22.620   14.131   24.577   7.7173  105.623   39.034  125.654   24.591 -20.03053 46.13454 
1 1 1   12   20   25 o  119.448   22.809   21.952   6.8000   23.610   14.708   21.501   7.6688  105.106   39.628  115.186   26.283 -10.07954 47.55170 
1 1 1   12   20   26 o   91.706   26.328   14.022   6.5825   13.570   13.860   14.153   7.4799   86.229   36.340   90.454   28.550 -4.225571 46.21395 
1 1 1   12   20   27 o   66.326   28.736   4.5223   9.1099   0.0000   0.0000   4.5223   9.1099  ?   ?    66.326   28.736 0.000000 28.73635 
1 1 1   12   20   28 o   67.610   26.640   6.8901   6.8624  -0.7153   14.829   8.9626   7.7411   67.615   31.986   73.470   28.483 -5.855324 42.82931 
1 1 1   12   20   29 o  102.280   33.884   21.850   10.461   13.060   16.557   27.690   13.495   81.170   36.728  107.462   38.367 -26.29160 53.11286 
1 1 1   12   20   30 o   54.715   25.118  -0.3321   8.1111   9.1880   16.228  -3.5024   9.3647   75.732   35.040   53.740   25.421 21.99180 43.28970 
1 1 1   12   20   31 o   55.373   25.221   0.6797   7.9682   14.760   16.455  -3.6336   9.1072   79.999   36.362   52.490   24.899 27.50854 44.07051 
1 1 1   12   20   32 o   39.663   19.446  -9.0792   6.7929   3.6310   15.860 -11.9347   7.5174   67.967   32.415   39.709   19.655 28.25755 37.90875 
1 1 1   12   20   33 o   77.741   28.559   12.269   7.5457  -9.6320   16.519   18.044   8.4823   58.681   29.062   91.900   30.516 -33.21814 42.14012 
1 1 1   12   20   34 o   94.684   29.193   18.826   7.8711   20.470   16.635   18.352   8.9346   78.888   36.126   89.080   31.277 -10.19171 47.78395 
1 1 1   12   21    0 o  303.064   18.265  124.694   14.271  115.500   21.447  132.000   19.118  281.129   29.911  306.560   24.275 -25.43164 38.52206 
1 1 1   12   21    1 o  270.551   20.100  100.430   13.986   83.350   20.730  114.700   18.948  233.361   35.406  283.986   26.048 -50.62538 43.95611 
1 1 1   12   21    2 o  101.404   40.833   12.890   16.473   12.890   16.473   0.0000   0.0000  101.404   40.833  ?   ?  0.000000 40.83338 
1 1 1   12   21    3 o  131.157   44.051   29.050   17.669   29.050   17.669   0.0000   0.0000  131.157   44.051  ?   ?  0.000000 44.05143 
1 1 1   12   21    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21    7 o  171.417   33.080   45.110   14.156   45.110   14.156   0.0000   0.0000  171.417   33.080  ?   ?  0.000000 33.08010 
1 1 1   12   21    8 f   82.741   32.970   7.7122   10.621   7.7122   10.621   0.0000   0.0000   82.741   32.970  ?   ?  0.000000 32.96970 
1 1 1   12   21    9 o  102.167   29.417   15.871   8.2070   25.342   12.034   7.6350   11.222  125.443   35.459   83.387   33.658 42.05631 48.88979 
1 1 1   12   21   10 o  114.513   26.643   19.588   7.7543   28.058   12.660   14.503   9.8098  131.124   36.121   97.447   32.823 33.67654 48.80621 
1 1 1   12   21   11 o  132.729   23.343   25.489   7.7327   24.696   11.703   26.104   10.302  123.167   35.022  129.398   31.117 -6.231674 46.84851 
1 1 1   12   21   12 o  144.975   20.650   29.761   7.5353   30.604   11.929   29.201   9.7204  137.900   33.684  138.895   27.985 -0.9956360 43.79213 
1 1 1   12   21   13 o   47.997   22.382  -4.8701   6.8246  -7.2099   10.659  -3.2446   8.8843   58.745   27.580   57.975   26.494 0.7694435 38.24376 
1 1 1   12   21   14 o   76.124   27.065   8.1558   6.7087   4.1381   10.433   10.988   8.7600   73.654   31.309   86.023   30.890 -12.36919 43.98223 
1 1 1   12   21   15 o  193.137   16.571   51.416   8.2098   44.504   12.264   57.029   11.052  169.759   28.926  199.284   21.763 -29.52460 36.19903 
1 1 1   12   21   16 f   84.651   27.906   10.983   7.0981   14.225   10.904   8.5979   9.3508   93.983   34.360   79.873   31.209 14.10954 46.41779 
1 1 1   12   21   17 o   81.241   27.300   10.038   6.7860   9.4332   10.023   10.549   9.2209   82.074   32.241   83.936   31.430 -1.861359 45.02587 
1 1 1   12   21   18 o   79.273   27.133   9.5303   6.7046   17.125   10.125   3.6001   8.9471  100.340   33.341   68.032   28.958 32.30812 44.16111 
1 1 1   12   21   19 o  107.103   24.498   17.623   6.6490   7.5527   9.5607   27.057   9.2532   76.660   31.024  130.331   28.226 -53.67001 41.94283 
1 1 1   12   21   20 o   90.710   29.239   13.464   7.8138   6.4570   13.892   16.706   9.4504   80.179   35.100   98.712   32.183 -18.53265 47.62077 
1 1 1   12   21   21 o  123.710   22.252   22.980   6.8685   21.860   14.112   23.327   7.8626  105.441   39.000  121.929   25.705 -16.48783 46.70938 
1 1 1   12   21   22 o   67.855   25.553   6.4391   6.1117   5.4050   12.594   6.7576   6.9899   75.565   33.241   69.948   27.080 5.616798 42.87523 
1 1 1   12   21   23 o   41.508   19.871  -6.3703   6.0789  -2.9170   13.772  -7.2059   6.7745   67.013   31.426   43.359   20.815 23.65340 37.69432 
1 1 1   12   21   24 o   54.234   23.758   1.0344   6.3739   14.490   13.010  -3.2151   7.3114   88.103   35.990   50.161   23.316 37.94260 42.88257 
1 1 1   12   21   25 o  121.576   22.858   23.163   6.9341   28.550   16.066   21.930   7.6869  108.280   41.274  114.825   26.397 -6.545441 48.99319 
1 1 1   12   21   26 o   59.441   27.051   0.4514   9.1422   0.0000   0.0000   0.4514   9.1422  ?   ?    59.441   27.051 0.000000 27.05126 
1 1 1   12   21   27 o   42.791   20.545  -6.2351   6.6064  -8.1600   14.673  -5.7457   7.3987   60.869   29.562   46.141   22.043 14.72800 36.87571 
1 1 1   12   21   28 o   90.446   32.943   17.212   10.009   12.260   15.746   20.570   12.966   79.051   35.789   92.721   36.592 -13.66978 51.18412 
1 1 1   12   21   29 o   62.766   26.963   4.9915   7.8864  -0.4734   14.539   7.2700   9.3876   64.841   30.956   68.549   29.432 -3.707436 42.71394 
1 1 1   12   21   30 o   42.725   20.653  -6.6643   6.9494   0.1205   14.550  -8.6694   7.9100   64.420   30.813   43.842   21.385 20.57735 37.50694 
1 1 1   12   21   31 o   65.571   27.682   7.0568   8.0654  -4.6770   15.261   11.604   9.5006   60.691   29.625   74.839   30.684 -14.14834 42.65145 
1 1 1   12   21   32 o   81.233   28.476   13.602   7.4044   28.710   15.895   9.4146   8.3678   91.962   38.845   69.406   28.664 22.55630 48.27604 
1 1 1   12   21   33 o   52.726   24.066   1.5011   7.3041   2.3150   15.534   1.2700   8.2761   62.793   30.478   54.138   25.039 8.655201 39.44447 
1 1 1   12   22    0 o  245.254   15.517   81.172   9.8071   64.529   14.118   96.690   13.633  210.692   26.453  264.272   20.065 -53.57961 33.20176 
1 1 1   12   22    1 o  193.801   18.154   51.573   9.0070   38.665   13.673   61.468   11.971  156.323   34.675  208.667   22.505 -52.34447 41.33752 
1 1 1   12   22    2 o   94.284   29.921   13.370   8.2067   7.4778   12.297   18.101   11.019   84.850   34.863  107.116   34.743 -22.26650 49.21904 
1 1 1   12   22    3 o  160.356   20.684   36.064   8.3913   27.883   12.212   43.382   11.550  131.613   35.155  171.933   26.808 -40.31970 44.21062 
1 1 1   12   22    4 o  177.989   19.420   43.985   8.8082   44.791   13.045   43.310   11.941  171.824   30.424  170.812   27.956 1.012161 41.31778 
1 1 1   12   22    5 o  208.628   16.435   59.237   8.8098   48.820   13.196   67.614   11.833  180.279   29.262  219.680   21.052 -39.40085 36.04793 
1 1 1   12   22    6 o  235.399   14.843   74.740   9.0043   74.318   13.930   75.042   11.801  227.686   23.980  232.346   19.797 -4.660187 31.09579 
1 1 1   12   22    7 o  197.437   17.337   53.499   8.7765   60.437   13.101   47.849   11.821  203.735   25.375  180.546   26.029 23.18851 36.35095 
1 1 1   12   22    8 o  110.008   27.525   18.444   7.8241   29.139   11.458   9.0992   10.710  134.924   33.046   84.446   33.278 50.47877 46.89882 
1 1 1   12   22    9 o   68.235   26.909   5.0779   7.0075   0.0806   10.903   8.5954   9.1471   68.707   30.541   80.854   31.066 -12.14685 43.56449 
1 1 1   12   22   10 o   74.646   27.566   7.4750   7.0445   14.338   10.932   2.6010   9.2125   95.624   34.488   68.211   29.218 27.41376 45.20048 
1 1 1   12   22   11 o  126.369   23.908   23.617   7.5393   23.052   11.145   24.094   10.237  117.412   34.418  121.917   32.009 -4.505272 47.00178 
1 1 1   12   22   12 o  216.130   15.496   63.873   8.6179   53.856   12.861   72.036   11.610  188.642   27.098  225.667   20.071 -37.02461 33.72134 
1 1 1   12   22   13 o  138.859   21.587   27.998   7.5124   26.006   11.369   29.542   10.009  123.806   34.280  136.967   29.108 -13.16054 44.97124 
1 1 1   12   22   14 o   85.206   27.839   11.262   7.0702   9.6129   10.470   12.644   9.5858   82.930   32.833   89.329   32.283 -6.398567 46.04564 
1 1 1   12   22   15 o   81.543   27.546   10.218   6.9095   11.426   10.739   9.3650   9.0260   86.541   33.548   80.489   30.876 6.051514 45.59325 
1 1 1   12   22   16 o  130.837   21.594   25.201   7.0631   27.242   10.961   23.751   9.2361  126.159   33.121  120.567   29.755 5.592415 44.52400 
1 1 1   12   22   17 o   79.430   27.106   9.7540   6.6909   11.592   10.067   8.2992   8.9554   85.584   32.660   77.175   30.425 8.408836 44.63538 
1 1 1   12   22   18 o  131.528   22.197   25.841   7.2932   19.409   10.450   31.950   10.184  104.398   33.830  140.348   28.973 -35.94966 44.54071 
1 1 1   12   22   19 o  112.343   28.211   20.708   8.1980   7.7559   9.4265   60.910   16.608   75.720   30.749  184.548   36.035 -108.8283 47.37065 
1 1 1   12   22   20 o   45.594   21.755  -6.7079   7.1606  -2.3720   12.045  -9.0779   8.9051   64.643   30.007   49.175   23.673 15.46882 38.22065 
1 1 1   12   22   21 o   68.040   26.051   6.5314   6.4182   16.490   13.547   3.6493   7.2880   92.773   37.145   62.497   26.346 30.27632 45.53979 
1 1 1   12   22   22 o   92.103   26.793   14.191   6.7769   5.4520   14.546   16.614   7.6589   76.098   34.430   98.353   28.447 -22.25524 44.66122 
1 1 1   12   22   23 o  131.378   20.815   26.188   6.8474   27.540   14.259   25.782   7.8064  110.316   39.433  126.723   24.669 -16.40710 46.51335 
1 1 1   12   22   24 o   98.435   28.778   17.337   7.8007   0.0000   0.0000   17.337   7.8007  ?   ?    98.435   28.778 0.000000 28.77780 
1 1 1   12   22   25 o  127.987   30.960   30.376   10.152   0.0000   0.0000   30.376   10.152  ?   ?   127.987   30.960 0.000000 30.96000 
1 1 1   12   22   26 o   79.559   31.672   12.327   9.7926   5.5370   15.261   17.080   12.768   72.007   33.542   86.756   35.571 -14.74944 48.89111 
1 1 1   12   22   27 o   57.482   25.761   1.9860   7.9257   0.1775   15.935   2.5805   9.1360   66.889   32.061   60.636   27.374 6.253036 42.15671 
1 1 1   12   22   28 o   85.795   27.867   14.034   7.0881   10.840   15.212   14.920   8.0109   74.855   34.377   86.260   29.654 -11.40485 45.39949 
1 1 1   12   22   29 o   71.200   28.738   9.5700   8.1800  -5.9140   15.045   16.068   9.7464   59.838   29.253   84.588   32.170 -24.75085 43.48141 
1 1 1   12   22   30 o   74.341   29.344   11.405   8.3403   8.3290   15.214   12.727   9.9724   69.737   32.808   75.797   31.297 -6.060799 45.34177 
1 1 1   12   22   31 o   75.090   29.446   12.284   8.3466  -1.4500   15.577   17.816   9.8856   61.085   29.842   85.107   32.392 -24.02187 44.04256 
1 1 1   12   22   32 o   58.121   26.050   4.4470   8.1079   9.2830   15.620   2.6635   9.4858   67.045   32.030   57.149   26.562 9.895824 41.61060 
1 1 1   12   23    0 o  222.662   16.847   67.999   9.6447   59.460   14.340   75.052   13.033  198.115   28.785  229.420   22.209 -31.30515 36.35740 
1 1 1   12   23    1 o  132.675   25.458   26.189   8.4309   25.750   12.211   26.589   11.655  123.884   35.944  127.047   34.517 -3.163116 49.83398 
1 1 1   12   23    2 o  104.091   28.946   16.862   8.0878   23.939   12.465   11.717   10.629  118.802   36.755   89.588   33.706 29.21419 49.86993 
1 1 1   12   23    3 o  128.175   26.728   24.842   8.5865   14.975   12.761   33.005   11.607   97.814   36.904  144.088   31.937 -46.27399 48.80466 
1 1 1   12   23    4 o  144.440   22.490   30.189   8.1406   27.128   11.950   32.839   11.120  127.478   35.084  144.641   30.633 -17.16261 46.57543 
1 1 1   12   23    5 o   99.606   28.788   15.499   7.8466   15.871   12.085   15.229   10.317   99.116   36.182   97.524   33.645 1.591293 49.40807 
1 1 1   12   23    6 o  189.569   17.900   49.956   8.6857   48.824   13.022   50.863   11.658  177.927   29.272  185.705   24.859 -7.777374 38.40360 
1 1 1   12   23    7 o   85.238   29.130   11.027   7.7278   2.1442   11.542   18.245   10.404   72.452   31.848  104.883   33.732 -32.43179 46.39139 
1 1 1   12   23    8 o  153.910   20.563   33.909   7.9929   40.284   12.144   29.037   10.617  159.577   30.491  134.300   31.126 25.27660 43.57231 
1 1 1   12   23    9 f   86.880   27.816   11.694   7.0809   7.0304   10.318   15.846   9.7348   77.872   31.958   98.135   32.696 -20.26295 45.72059 
1 1 1   12   23   10 o   74.117   27.422   7.6606   6.9780   1.4155   10.223   13.109   9.5485   67.632   29.841   90.553   32.279 -22.92083 43.95924 
1 1 1   12   23   11 o   62.714   26.205   3.1686   7.1109  -3.5749   10.396   9.0968   9.7476   60.956   28.148   80.726   31.768 -19.76931 42.44437 
1 1 1   12   23   12 o  108.135   26.595   18.384   7.3978  -5.8509   10.970   38.595   10.018   59.689   28.010  159.533   25.071 -99.84425 37.59092 
1 1 1   12   23   13 o   81.061   27.370   10.210   6.8213   7.2108   10.188   12.648   9.1836   76.680   31.645   88.175   31.632 -11.49510 44.74383 
1 1 1   12   23   14 o   76.266   27.719   8.7067   7.0811   2.2457   10.310   14.476   9.7424   67.984   29.984   92.385   32.640 -24.40119 44.32148 
1 1 1   12   23   15 o  158.791   19.190   36.338   7.7330   34.804   11.288   37.695   10.615  144.198   31.134  154.004   27.625 -9.806061 41.62233 
1 1 1   12   23   16 o  121.739   23.880   22.790   7.2612   24.431   10.486   21.277   10.065  117.439   33.066  109.517   32.861 7.922157 46.61734 
1 1 1   12   23   17 o   84.022   27.691   11.512   6.9894   1.2967   10.093   20.924   9.6882   65.164   29.146  108.720   32.153 -43.55618 43.39719 
1 1 1   12   23   18 o   69.287   27.666   6.3813   7.4930   11.538   8.9322  -5.8670   13.766   83.155   30.974   64.393   30.565 18.76128 43.51567 
1 1 1   12   23   19 o   82.933   27.463   11.419   6.8717   13.141   9.4383   9.4760   10.024   86.444   31.910   78.304   31.740 8.139771 45.00762 
1 1 1   12   23   20 o   46.833   21.452  -1.9400   5.8712  -4.8431   7.6252   2.2871   9.2013   48.962   23.093   63.489   28.147 -14.52679 36.40779 
1 1 1   12   23   21 o   46.367   21.514  -2.8077   6.1821  -1.7310   13.093  -3.1167   7.0131   65.231   30.607   48.893   22.763 16.33783 38.14353 
1 1 1   12   23   22 o   85.474   26.934   12.669   6.6591   22.880   13.773   9.5547   7.6072   99.575   38.154   75.232   28.467 24.34319 47.60326 
1 1 1   12   23   23 o  153.145   23.197   37.497   8.9140   0.0000   0.0000   37.497   8.9140  ?   ?   153.145   23.197 0.000000 23.19731 
1 1 1   12   23   24 o   75.979   31.775   10.613   10.468  -1.4610   14.652   23.200   14.961   65.078   31.071   94.362   38.575 -29.28371 49.53232 
1 1 1   12   23   25 o   96.199   33.787   20.467   10.427   30.810   16.311   13.320   13.559  101.996   40.787   78.954   34.617 23.04243 53.49671 
1 1 1   12   23   26 o   66.535   26.591   7.4032   6.9284   19.440   15.457   4.3767   7.7506   84.652   37.042   60.745   26.412 23.90712 45.49369 
1 1 1   12   23   27 o  113.704   25.686   23.001   7.3866   18.230   15.549   24.392   8.3944   81.507   36.336  112.993   28.642 -31.48604 46.26743 
1 1 1   12   23   28 o  122.890   24.014   26.099   7.3700   27.420   16.049   25.746   8.2965   91.016   38.764  116.602   27.851 -25.58537 47.73191 
1 1 1   12   23   29 o   59.163   25.454   4.9772   7.0479   32.600   16.054  -1.6171   7.8441   96.077   39.694   50.039   23.546 46.03864 46.15222 
1 1 1   12   23   30 o   52.571   24.678  -0.1730   8.5281   8.0120   16.133  -3.3469   10.046   66.835   32.094   51.970   25.050 14.86547 40.71299 
1 1 1   12   23   31 o   35.820   17.929 -13.2581   7.0142 -26.1200   15.892 -10.1465   7.8168   48.161   24.447   40.480   20.038 7.680973 31.60944 
1 1 1   12   24    0 o  127.002   24.848   24.374   7.8816   11.634   12.346   33.137   10.239   88.803   35.494  145.834   28.125 -57.03125 45.28667 
1 1 1   12   24    1 o  148.304   22.511   32.254   8.3760   33.523   12.275   31.148   11.458  141.096   33.988  137.053   32.728 4.042847 47.18371 
1 1 1   12   24    2 o   57.887   25.337   0.5542   7.2365  -9.1293   10.788   8.4765   9.7575   56.220   26.791   79.743   31.656 -23.52340 41.47138 
1 1 1   12   24    3 o  105.594   27.492   17.579   7.5933   13.841   10.648   21.448   10.832   92.407   33.928  111.703   34.214 -19.29595 48.18415 
1 1 1   12   24    4 o  154.131   20.735   34.301   8.0682   25.280   12.492   40.757   10.568  118.748   36.805  163.930   25.735 -45.18209 44.90997 
1 1 1   12   24    5 o  110.340   27.855   19.331   7.9624   33.793   12.220   8.6605   10.497  141.163   33.856   80.665   32.555 60.49757 46.96869 
1 1 1   12   24    6 o  118.726   25.072   21.596   7.4687   42.136   12.113   8.9989   9.4864  162.241   29.927   80.018   31.388 82.22335 43.36818 
1 1 1   12   24    7 o  113.832   26.406   20.286   7.6353   10.976   11.161   28.477   10.468   85.511   33.885  131.112   31.263 -45.60051 46.10398 
1 1 1   12   24    8 o   83.487   28.471   10.972   7.3816   13.451   11.053   8.9762   9.9173   90.376   34.286   79.968   31.861 10.40781 46.80432 
1 1 1   12   24    9 o   82.423   28.293   10.698   7.2913   20.049   10.936   3.2137   9.7831  105.987   34.623   68.546   29.739 37.44003 45.64139 
1 1 1   12   24   10 o  162.594   18.512   37.760   7.6578   24.612   11.361   48.709   10.367  116.799   34.882  180.953   22.611 -64.15350 41.56914 
1 1 1   12   24   11 o   46.073   21.715  -5.1703   6.7212   1.3884   9.9025 -10.7727   9.1522   65.416   29.091   48.700   23.580 16.71634 37.44719 
1 1 1   12   24   12 o   45.617   21.446  -4.7301   6.4820 -13.2040   9.7550   1.9694   8.6738   48.414   23.644   63.252   27.711 -14.83705 36.42720 
1 1 1   12   24   13 o  108.535   25.304   18.666   6.9827   17.833   10.145   19.416   9.6258   99.402   33.379  104.608   32.289 -5.205658 46.44057 
1 1 1   12   24   14 o  161.647   18.548   37.717   7.6257   34.513   11.074   40.608   10.517  142.378   30.912  160.133   26.265 -17.75465 40.56343 
1 1 1   12   24   15 o   70.982   26.644   7.4532   6.6346   2.7404   9.5202   11.903   9.2509   65.673   28.895   83.902   31.469 -18.22872 42.72238 
1 1 1   12   24   16 o   88.980   28.733   13.532   7.5429   6.8010   8.7160   33.610   15.054   71.454   29.354  124.452   40.621 -52.99789 50.11688 
1 1 1   12   24   17 o   66.909   27.530   5.5781   7.6811  -1.9971   8.9274   27.170   15.072   56.631   26.127  109.539   40.344 -52.90813 48.06481 
1 1 1   12   24   18 o  114.343   25.052   21.210   7.2150   27.795   10.225   14.680   10.182  123.616   31.763   88.341   33.037 35.27420 45.82975 
1 1 1   12   24   19 o   69.434   26.526   7.4393   6.6452   7.7875   9.5207   7.1085   9.2793   72.686   30.342   71.138   29.844 1.547455 42.55976 
1 1 1   12   24   20 o   73.168   26.841   8.9217   6.6619   20.012   9.7881  -0.6491   9.0929  100.551   32.751   57.616   26.504 42.93512 42.13200 
1 1 1   12   24   21 f   49.040   23.656  -7.5583   9.0000   0.0000   0.0000  -7.5583   9.0000  ?   ?    49.040   23.656 0.000000 23.65583 
1 1 1   12   24   22 o   60.855   29.493  -6.1590   14.401   0.0000   0.0000  -6.1590   14.401  ?   ?    60.855   29.493 0.000000 29.49255 
1 1 1   12   24   23 o   85.433   32.541   15.768   9.9821   14.960   14.638   16.470   13.648   80.479   35.599   83.031   35.564 -2.552841 50.31994 
1 1 1   12   24   24 o  105.750   27.346   20.652   7.5465   4.6170   16.010   25.233   8.5567   68.947   32.795  115.625   28.703 -46.67802 43.58210 
1 1 1   12   24   25 f   46.894   21.941  -2.1432   6.6469  -1.0690   14.366  -2.4357   7.4977   62.095   29.937   48.911   23.017 13.18384 37.76204 
1 1 1   12   24   26 o   88.411   27.908   15.543   7.1469   20.040   15.039   14.232   8.1227   82.160   36.226   81.688   29.688 0.4723358 46.83681 
1 1 1   12   24   27 o   47.925   22.348  -1.2365   6.8030   1.4330   15.986  -1.8269   7.5178   63.504   30.845   48.953   23.040 14.55093 38.49973 
1 1 1   12   24   28 o   48.207   22.570  -1.1615   7.0538 -22.5800   14.750   5.1896   8.0319   48.708   24.590   59.753   26.404 -11.04500 36.08088 
1 1 1   12   24   29 o   36.859   18.326 -11.0624   6.8213  -6.4500   14.714 -12.3250   7.6985   55.354   27.416   38.644   19.255 16.70971 33.50228 
1 1 1   12   24   30 o   51.178   24.082   0.4161   8.2048 -22.5100   15.727   8.9896   9.6174   48.487   24.582   64.105   28.578 -15.61767 37.69522 
1 1 1   12   25    0 o   71.696   27.916   6.9630   7.4611   9.2524   11.026   5.0292   10.134   80.906   33.100   71.988   30.735 8.917885 45.16903 
1 1 1   12   25    1 o  139.121   22.688   29.032   7.8943   28.137   11.351   29.871   10.986  126.106   33.983  131.958   32.382 -5.852028 46.94096 
1 1 1   12   25    2 o  158.296   20.147   36.458   8.0738   22.056   11.347   51.228   11.491  109.791   35.218  183.014   24.884 -73.22320 43.12246 
1 1 1   12   25    3 o  233.625   15.428   75.634   9.2838   75.532   13.609   75.723   12.697  223.740   23.850  226.477   21.917 -2.737457 32.39113 
1 1 1   12   25    4 f  196.959   16.795   54.523   8.4868   60.349   13.033   50.235   11.182  196.933   26.200  181.508   24.403 15.42448 35.80384 
1 1 1   12   25    5 o  296.405   13.142  119.393   10.090  109.166   14.648  128.626   13.919  273.367   20.844  301.255   17.917 -27.88803 27.48630 
1 1 1   12   25    6 o  145.393   21.455   31.407   7.8374   23.804   11.511   37.977   10.701  113.137   35.373  153.750   27.897 -40.61320 45.04972 
1 1 1   12   25    7 o  202.908   15.879   57.555   8.2793   50.086   12.005   64.328   11.433  177.811   26.907  208.466   21.480 -30.65428 34.42905 
1 1 1   12   25    8 o   60.092   25.478   2.8270   6.8793   9.1379   10.015  -2.8114   9.4661   78.658   31.780   57.919   26.785 20.73993 41.56228 
1 1 1   12   25    9 o   78.055   27.083   9.7005   6.6896  -0.3589   9.8531   18.303   9.1115   62.012   28.168  101.831   31.411 -39.81920 42.19152 
1 1 1   12   25   10 o  122.471   24.797   23.635   7.5967   9.4288   11.215   35.680   10.327   79.661   33.065  147.733   28.011 -68.07134 43.33504 
1 1 1   12   25   11 o  110.967   26.448   20.080   7.4945   18.746   11.248   21.145   10.050   98.906   35.057  107.288   32.973 -8.381348 48.12740 
1 1 1   12   25   12 o   45.300   21.393  -4.9117   6.5823   3.6290   9.6439 -12.3609   9.0065   66.969   29.283   46.146   22.575 20.82277 36.97430 
1 1 1   12   25   13 o  104.391   25.962   17.878   6.9907   24.508   10.484   12.571   9.3806  114.530   33.328   84.546   31.693 29.98360 45.99067 
1 1 1   12   25   14 o   93.531   26.700   14.719   6.7882   7.1796   9.8430   21.558   9.3742   72.801   30.650  108.688   31.482 -35.88732 43.93748 
1 1 1   12   25   15 o  115.328   28.188   22.825   8.3495   21.377   9.8968   26.400   15.552  106.001   32.744  105.336   40.499 0.6648102 52.08034 
1 1 1   12   25   16 f   58.661   25.680   2.2103   7.4367   6.2465   8.8387  -7.5720   13.760   68.919   29.031   60.882   29.338 8.036953 41.27395 
1 1 1   12   25   17 o  118.100   23.673   22.469   6.9896   20.948   9.6334   24.160   10.157  103.769   32.347  111.220   32.929 -7.451042 46.15843 
1 1 1   12   25   18 o   78.637   27.449   10.909   6.8768   16.307   10.225   6.4514   9.2922   89.287   33.163   68.660   29.375 20.62643 44.30247 
1 1 1   12   25   19 f   61.038   25.684   4.5417   6.9056  -5.8076   10.449   12.567   9.2015   54.098   25.938   80.477   31.094 -26.37870 40.49228 
1 1 1   12   25   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25   21 o  115.216   31.441   26.688   9.6451   26.688   9.6451   0.0000   0.0000  115.216   31.441  ?   ?  0.000000 31.44121 
1 1 1   12   25   22 o   52.578   23.654   1.1638   6.7533   3.7270   13.779   0.3534   7.7477   66.004   31.104   53.579   24.579 12.42537 39.64298 
1 1 1   12   25   23 o   55.435   24.672   2.5812   7.1366  -3.4520   14.991   4.3490   8.1150   60.631   29.544   60.079   26.544 0.5520134 39.71692 
1 1 1   12   25   24 o   57.794   24.898   4.3798   6.7614  -5.6730   14.466   7.1900   7.6483   57.812   28.350   64.470   27.073 -6.657486 39.20087 
1 1 1   12   25   25 o   73.813   28.043   11.335   7.4014   1.3450   15.933   14.084   8.3578   62.968   30.633   79.304   29.878 -16.33570 42.79110 
1 1 1   12   25   26 o   83.033   28.093   14.642   7.1867   4.5640   15.925   17.220   8.0534   64.113   31.057   87.745   29.739 -23.63213 42.99945 
1 1 1   12   25   27 o   73.807   27.252   11.679   6.8847   11.040   15.126   11.846   7.7320   67.548   32.056   72.637   28.380 -5.089622 42.81364 
1 1 1   12   25   28 o   57.294   25.086   5.2737   7.0990   10.490   15.618   3.9152   7.9699   65.408   31.452   55.745   25.326 9.662052 40.38161 
1 1 1   12   25   29 o   65.058   26.898   9.5834   7.3801   19.850   16.435   6.9904   8.2597   70.186   33.339   59.695   26.557 10.49139 42.62312 
1 1 1   12   26    0 f   86.386   29.354   12.749   7.8465   12.875   12.552   12.668   10.053   85.992   35.265   85.314   32.618 0.6783600 48.03667 
1 1 1   12   26    1 o   96.793   28.055   15.842   7.4424   25.699   11.472   8.6781   9.7799  115.862   35.153   76.598   31.237 39.26360 47.02669 
1 1 1   12   26    2 o  138.819   23.042   29.647   7.9949   45.870   12.182   17.374   10.596  165.479   29.503   96.129   34.031 69.34950 45.03920 
1 1 1   12   26    3 o   73.621   28.351   8.2183   7.6302   8.2013   11.364   8.2322   10.296   77.076   32.717   76.104   31.643 0.9722977 45.51580 
1 1 1   12   26    4 o   48.675   22.658  -3.4445   6.9436 -14.6685   10.250   6.0756   9.4397   48.157   23.666   70.939   29.949 -22.78180 38.17048 
1 1 1   12   26    5 o   53.734   24.077  -0.1818   6.9208  -6.4986   9.9506   5.7373   9.6322   54.347   25.852   70.483   30.025 -16.13607 39.62075 
1 1 1   12   26    6 f  140.993   21.641   30.161   7.6513   13.934   10.811   46.445   10.830   87.396   33.722  171.262   25.163 -83.86613 42.07533 
1 1 1   12   26    7 o  170.336   18.105   42.091   7.8660   35.970   11.531   47.419   10.758  142.065   32.092  173.511   24.626 -31.44629 40.45196 
1 1 1   12   26    8 o  165.091   18.782   39.933   7.8889   40.469   12.200   39.547   10.342  150.540   32.256  155.921   26.559 -5.380020 41.78347 
1 1 1   12   26    9 o  181.522   17.699   47.697   8.2161   41.318   11.872   53.560   11.382  153.658   30.899  184.168   24.465 -30.51053 39.41156 
1 1 1   12   26   10 o  198.651   23.529   61.676   11.872   61.676   11.872   0.0000   0.0000  198.651   23.529  ?   ?  0.000000 23.52884 
1 1 1   12   26   11 o   95.018   27.289   15.531   7.0704   9.5338   9.9717   21.595   10.027   76.699   31.440  105.905   32.998 -29.20541 45.57802 
1 1 1   12   26   12 o   54.470   23.966   1.2449   6.5488   2.3148   9.5142   0.2815   9.0278   63.196   28.280   59.186   26.914 4.009586 39.04000 
1 1 1   12   26   13 o   47.330   22.034  -2.8889   6.5696   10.408   9.5092 -15.0311   9.0870   77.440   31.080   43.574   21.575 33.86589 37.83482 
1 1 1   12   26   14 o   45.206   21.844  -7.8301   7.7549 -10.0145   9.1979  -2.4600   14.421   47.640   23.198   65.222   31.052 -17.58218 38.76057 
1 1 1   12   26   15 o   57.509   25.583   1.7903   7.6641   2.9733   9.4106  -0.5400   13.208   62.843   28.123   64.632   30.455 -1.788799 41.45427 
1 1 1   12   26   16 o   89.673   26.624   14.331   6.6331   18.772   9.4040   9.9335   9.3574   95.933   32.138   74.562   30.498 21.37170 44.30491 
1 1 1   12   26   17 o   84.114   32.096   14.782   9.7216   0.0000   0.0000   14.782   9.7216  ?   ?    84.114   32.096 0.000000 32.09590 
1 1 1   12   26   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26   19 o   61.772   28.266   3.1924   10.156   3.1924   10.156   0.0000   0.0000   61.772   28.266  ?   ?  0.000000 28.26553 
1 1 1   12   26   20 o   73.164   27.541   10.351   7.0983   11.164   9.9965   9.5239   10.081   73.277   30.871   70.370   30.359 2.906891 43.29766 
1 1 1   12   26   21 o   91.220   28.188   16.714   7.3336   23.523   10.729   10.743   10.047   97.358   34.268   71.538   30.574 25.82047 45.92443 
1 1 1   12   26   22 o   43.445   21.247  -8.0236   7.9601 -11.6000   14.157  -6.3701   9.6260   53.404   26.526   48.983   23.825 4.420784 35.65494 
1 1 1   12   26   23 o  108.642   27.297   23.069   7.6721   22.270   16.144   23.302   8.7197   79.915   36.204  103.333   30.487 -23.41830 47.33096 
1 1 1   12   26   24 o   94.063   28.295   18.629   7.4554   9.0270   16.152   21.229   8.4043   66.652   32.034   97.442   30.186 -30.79037 44.01599 
1 1 1   12   26   25 o   56.038   25.012   4.1228   7.3921   11.580   14.895   1.6861   8.5145   67.468   31.958   53.863   25.078 13.60546 40.62278 
1 1 1   12   26   26 o   51.869   23.555   2.4636   6.8842   2.0240   15.508   2.5715   7.6826   59.387   29.169   53.204   24.433 6.182472 38.05000 
1 1 1   12   26   27 o   54.794   24.487   4.4808   7.1071   23.970   16.184  -0.1756   7.9107   73.891   34.461   49.154   23.285 24.73688 41.58986 
1 1 1   12   26   28 o   96.589   28.686   21.867   7.6994   11.660   16.199   24.846   8.7511   62.201   30.396   98.434   30.854 -36.23300 43.31160 
1 1 1   12   27    0 o  116.752   26.469   22.824   7.8202   23.942   11.780   21.944   10.457  107.002   35.968  105.323   33.812 1.678421 49.36549 
1 1 1   12   27    1 o  124.397   25.412   25.342   7.9116   24.086   11.977   26.314   10.538  106.870   36.267  117.150   33.205 -10.27958 49.17200 
1 1 1   12   27    2 f   70.827   28.000   7.6863   7.6046   9.8645   11.496   5.9912   10.141   77.822   32.962   70.139   30.353 7.683655 44.80896 
1 1 1   12   27    3 o  116.678   27.058   23.062   8.0191   19.981   12.120   25.460   10.694   97.008   36.091  114.076   33.792 -17.06803 49.44171 
1 1 1   12   27    4 o   58.808   25.436   2.7041   7.1129  -0.9206   10.922   5.3737   9.3732   61.642   28.600   67.934   29.291 -6.291756 40.93787 
1 1 1   12   27    5 o  164.986   19.345   40.642   8.1106   37.028   12.230   43.480   10.836  138.621   34.258  161.596   26.829 -22.97514 43.51299 
1 1 1   12   27    6 o  228.803   15.187   74.144   8.9496   55.987   13.130   89.899   12.231  179.860   29.184  245.602   19.383 -65.74225 35.03402 
1 1 1   12   27    7 o  244.128   14.748   84.071   9.2825   83.489   13.717   84.563   12.608  229.758   23.373  235.486   20.887 -5.727661 31.34566 
1 1 1   12   27    8 o  201.252   16.267   58.313   8.4077   51.399   12.241   64.486   11.568  172.856   28.321  203.057   22.364 -30.20135 36.08600 
1 1 1   12   27    9 o  231.428   14.433   75.540   8.6089   49.470   12.282  100.722   12.071  167.609   29.358  261.700   17.914 -94.09010 34.39248 
1 1 1   12   27   10 o  137.784   21.126   29.508   7.2995   25.451   10.397   33.452   10.251  112.571   33.312  135.935   29.923 -23.36343 44.77818 
1 1 1   12   27   11 o   79.281   27.377   11.240   6.8317   21.820   9.7714   1.1225   9.5553  103.926   32.607   60.230   27.505 43.69627 42.65871 
1 1 1   12   27   12 o   50.210   22.899  -0.6434   6.5952  -5.5844   9.3507   4.2480   9.3036   51.583   24.681   64.076   28.360 -12.49367 37.59581 
1 1 1   12   27   13 o   52.508   25.094  -5.0114   9.6073 -21.0400   12.697   16.460   14.695   48.344   24.186   83.420   36.320 -35.07572 43.63579 
1 1 1   12   27   14 o   68.032   31.831   4.0970   13.992   0.0000   0.0000   4.0970   13.992  ?   ?    68.032   31.831 0.000000 31.83143 
1 1 1   12   27   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27   16 o   85.404   36.560   20.360   14.409   20.360   14.409   0.0000   0.0000   85.404   36.560  ?   ?  0.000000 36.56026 
1 1 1   12   27   17 o   74.453   26.907   10.670   6.6588   11.960   9.3984   9.3701   9.4355   74.897   30.591   69.847   29.735 5.050209 42.66121 
1 1 1   12   27   18 o   61.720   25.939   6.0792   7.0299   7.0426   10.006   5.1399   9.8791   65.367   29.144   62.521   28.323 2.845482 40.63920 
1 1 1   12   27   19 o   55.882   24.498   3.6465   6.7890   2.4496   9.2860   5.0209   9.9507   57.591   26.597   61.723   28.141 -4.131546 38.72079 
1 1 1   12   27   20 o   63.715   26.751   7.4571   7.4644 -11.1798   10.346   27.693   10.780   46.460   23.007  104.360   34.390 -57.90016 41.37623 
1 1 1   12   27   21 o   89.258   28.440   17.115   7.4087   1.0950   10.563   32.627   10.394   56.468   26.795  118.665   32.746 -62.19720 42.31123 
1 1 1   12   27   22 o   68.291   26.864   9.8382   6.9679   6.3615   9.6971   13.550   10.019   61.311   27.886   72.617   30.766 -11.30606 41.52322 
1 1 1   12   27   23 o   37.763   18.709  -9.7079   6.8706   6.8470   14.269 -14.7046   7.8392   62.592   30.090   37.152   18.646 25.43974 35.39865 
1 1 1   12   27   24 o   48.112   22.592  -0.1763   7.1566  -8.7950   15.863   2.0264   8.0192   53.486   26.799   52.503   24.409 0.9825783 36.24892 
1 1 1   12   27   25 o  134.914   23.306   33.792   7.8503   8.4740   16.094   41.696   8.9927   61.501   30.106  148.162   24.272 -86.66138 38.67164 
1 1 1   12   27   26 o   62.086   26.498   9.0553   7.5277 -13.6900   15.489   16.089   8.6134   49.272   24.913   75.209   29.778 -25.93671 38.82532 
1 1 1   12   27   27 o   96.797   28.829   22.960   7.7680   31.280   16.512   20.595   8.8030   73.660   34.501   83.124   30.791 -9.464020 46.24299 
1 1 1   12   28    0 o   62.800   30.384  -5.5130   15.124   0.0000   0.0000  -5.5130   15.124  ?   ?    62.800   30.384 0.000000 30.38383 
1 1 1   12   28    1 o  113.885   30.217   24.386   9.0610   1.7190   18.077   31.992   10.471   71.237   34.146  129.662   31.491 -58.42473 46.44999 
1 1 1   12   28    2 o   78.875   30.588   11.794   8.9303 -19.5400   17.457   22.900   10.393   58.153   28.979  104.444   33.727 -46.29079 44.46681 
1 1 1   12   28    3 o  134.940   22.809   29.311   7.6884   21.008   12.001   35.091   10.013   95.511   35.839  140.463   28.494 -44.95166 45.78574 
1 1 1   12   28    4 o  140.301   22.513   31.545   7.9050   28.111   12.672   33.732   10.114  109.449   37.304  135.971   29.560 -26.52235 47.59552 
1 1 1   12   28    5 o  112.878   27.310   22.624   7.8983   4.4106   12.719   34.056   10.077   68.293   31.390  136.804   29.318 -68.51133 42.95146 
1 1 1   12   28    6 o   78.731   29.295   11.715   7.9856   15.810   15.935   10.342   9.2281   82.485   36.777   74.945   30.427 7.539093 47.73219 
1 1 1   12   28    7 o  123.798   27.452   27.263   8.5722   25.970   15.571   27.825   10.268   96.388   39.374  117.249   32.619 -20.86137 51.13005 
1 1 1   12   28    8 o   76.827   31.571   11.639   10.087   0.0000   0.0000   11.639   10.087  ?   ?    76.827   31.571 0.000000 31.57146 
1 1 1   12   28    9 o  114.427   40.157   35.290   14.727   0.0000   0.0000   35.290   14.727  ?   ?   114.427   40.157 0.000000 40.15672 
1 1 1   12   28   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   12 o   49.482   24.568 -14.5800   12.096 -14.5800   12.096   0.0000   0.0000   49.482   24.568  ?   ?  0.000000 24.56838 
1 1 1   12   28   13 o   68.997   28.602   8.9488   8.3761   14.482   10.045  -3.6830   15.177   79.449   31.923   60.625   29.582 18.82374 43.52193 
1 1 1   12   28   14 o   71.101   27.278   9.8668   7.0457   7.6717   9.6205   12.406   10.347   66.266   29.104   74.289   31.359 -8.023308 42.78334 
1 1 1   12   28   15 o  175.145   18.088   47.762   8.0881   37.135   11.343   58.755   11.536  128.518   33.669  181.045   25.291 -52.52617 42.10935 
1 1 1   12   28   16 o   59.755   25.461   5.6320   6.9294  -8.4749   9.7710   19.906   9.8286   47.272   23.206   89.172   32.618 -41.89982 40.03078 
1 1 1   12   28   17 o   58.174   25.081   5.1364   6.8720   12.382   9.8360  -1.7723   9.6049   71.999   30.493   52.398   25.055 19.60110 39.46630 
1 1 1   12   28   18 o   64.385   26.494   8.1831   7.1149   1.5239   9.9869   15.046   10.139   55.896   26.383   75.645   31.422 -19.74863 41.02926 
1 1 1   12   28   19 o   62.293   26.447   7.5265   7.4277   9.7002   10.578   5.4119   10.433   65.663   29.566   60.109   27.911 5.553207 40.65900 
1 1 1   12   28   20 o   57.443   25.099   5.4326   7.0737  -3.3470   9.7460   15.206   10.283   49.832   24.176   73.740   31.201 -23.90794 39.47169 
1 1 1   12   28   21 o   84.002   28.090   16.145   7.1844   14.973   10.553   17.158   9.8086   71.885   31.037   77.408   31.390 -5.522949 44.14288 
1 1 1   12   28   22 o   46.310   22.021  -1.3143   7.2070  -1.2632   10.329  -1.3627   10.061   51.430   24.937   51.004   24.702 0.4259224 35.10075 
1 1 1   12   28   23 o   49.941   23.095   2.0206   7.0370   13.220   15.100  -1.0865   7.9535   63.809   30.745   47.482   22.730 16.32719 38.23478 
1 1 1   12   28   24 o   43.055   20.882  -3.4514   7.2566  -7.7530   15.831  -2.3072   8.1649   51.337   25.862   45.971   22.262 5.366386 34.12331 
1 1 1   12   28   25 o   68.410   27.714   13.004   7.6382   51.710   17.170   3.4551   8.5286   92.191   39.697   51.776   24.421 40.41494 46.60722 
1 1 1   12   29    0 o   94.963   28.226   17.429   7.4520   15.313   10.782   19.365   10.311   81.606   32.974   91.342   33.410 -9.735771 46.94154 
1 1 1   12   29    1 o   93.718   29.646   17.743   8.0616   22.164   10.311   10.790   12.931   98.325   33.648   73.425   32.905 24.90054 47.06269 
1 1 1   12   29    2 o   64.347   27.158   6.4485   7.7595   6.6244   9.9246   6.1720   12.446   66.337   29.330   67.543   31.047 -1.206261 42.70993 
1 1 1   12   29    3 o   80.358   29.600   13.253   8.1137   12.166   10.453   14.900   12.868   75.678   31.709   78.903   34.169 -3.224426 46.61555 
1 1 1   12   29    4 o   72.477   28.972   10.211   8.2268  -0.3266   10.749   25.110   12.782   58.205   27.442   96.671   36.823 -38.46676 45.92323 
1 1 1   12   29    5 o   70.592   28.520   9.4499   8.0649   12.138   10.277   5.1410   13.012   75.279   31.483   66.322   30.920 8.956810 44.12737 
1 1 1   12   29    6 f   60.856   25.750   5.3741   7.0040   2.8018   9.6402   8.2500   10.193   59.910   27.459   68.331   29.986 -8.421230 40.65901 
1 1 1   12   29    7 o   40.302   19.625  -7.2788   6.5831  -9.0982   9.1414  -5.3189   9.4881   46.226   22.641   50.340   24.284 -4.114223 33.20185 
1 1 1   12   29    8 o   82.029   28.098   13.636   7.1901   19.267   10.280   8.2439   10.060   88.877   33.204   67.553   29.713 21.32391 44.55787 
1 1 1   12   29    9 f   64.472   26.354   7.3277   6.9816   2.6276   9.9894   11.816   9.7614   59.241   27.438   73.290   30.670 -14.04903 41.15222 
1 1 1   12   29   10 o  117.666   28.417   27.197   8.5636   36.909   10.286   5.2650   15.458  135.112   30.155   65.694   31.512 69.41859 43.61553 
1 1 1   12   29   11 o   39.976   19.798 -10.9967   7.6674  -3.1977   9.0224 -31.2700   14.547   50.390   24.145   45.359   23.061 5.031197 33.38901 
1 1 1   12   29   12 o   78.486   27.669   13.004   6.9976   14.505   9.7850   11.433   10.011   76.520   31.230   70.542   30.344 5.977409 43.54335 
1 1 1   12   29   13 o   72.233   27.848   11.296   7.3679   2.1724   10.562   19.945   10.283   57.577   27.163   86.089   32.972 -28.51262 42.71941 
1 1 1   12   29   14 o   44.621   21.281  -2.9968   6.8357  -3.8933   9.6541  -2.0955   9.6802   49.915   24.180   51.612   24.805 -1.697746 34.64026 
1 1 1   12   29   15 o   53.642   24.147   3.1498   7.0495   5.9568   9.9246   0.2915   10.015   60.387   27.745   54.009   25.759 6.377529 37.85906 
1 1 1   12   29   16 o  102.562   27.851   22.242   7.5901   16.180   10.656   28.485   10.814   74.696   31.692  100.493   34.459 -25.79732 46.81676 
1 1 1   12   29   17 o   79.196   28.475   14.907   7.4462   12.959   10.684   16.747   10.383   68.587   30.373   75.287   31.577 -6.700859 43.81300 
1 1 1   12   29   18 o  101.182   27.925   22.320   7.5582   4.1434   10.692   40.477   10.686   56.983   27.016  131.119   31.792 -74.13605 41.71992 
1 1 1   12   29   19 o   44.131   21.004  -1.7839   6.5874  -3.0419   9.4695  -0.6042   9.1697   48.409   23.565   50.191   24.127 -1.781853 33.72554 
1 1 1   12   29   20 o   55.700   24.835   5.5477   7.2661   1.0755   10.433   9.7605   10.126   52.662   25.420   61.975   28.307 -9.312725 38.04537 
1 1 1   12   29   21 o   57.879   25.330   7.1315   7.2303   5.9124   10.188   8.3684   10.262   56.463   26.650   59.237   27.564 -2.774155 38.34055 
1 1 1   12   29   22 o   41.240   20.197  -4.9092   7.2673   1.4373   10.322 -11.1470   10.233   51.369   24.913   42.689   21.408 8.680691 32.84744 
1 1 1   12   29   23 o   44.892   21.949  -2.7298   8.4786   3.4110   15.290  -5.4564   10.189   53.931   26.914   45.334   22.516 8.597076 35.08982 
1 1 1   12   29   24 o   64.333   27.351   12.740   7.9648   17.860   16.302   11.135   9.1285   59.683   29.430   59.654   27.103 0.2924347E-01 40.00837 
1 1 1   12   30    0 o   59.071   25.530   5.2512   7.1554  -8.1652   9.8922   19.974   10.363   47.701   23.403   87.402   33.188 -39.70115 40.60941 
1 1 1   12   30    1 o   80.759   28.101   13.842   7.2047   8.2100   10.477   18.895   9.9232   65.759   29.534   86.206   32.538 -20.44734 43.94289 
1 1 1   12   30    2 o   49.321   22.799  -0.0163   6.8483   0.1602   9.5265  -0.2050   9.8516   54.658   25.789   54.759   25.953 -0.1002426 36.58722 
1 1 1   12   30    3 o  112.511   25.905   23.800   7.3937   11.803   10.537   35.438   10.378   70.979   30.829  128.239   31.475 -57.26035 44.05777 
1 1 1   12   30    4 o   66.784   26.802   8.8497   7.0708   10.768   10.272   7.1222   9.7479   69.214   30.244   63.590   28.528 5.624660 41.57585 
1 1 1   12   30    5 o  126.648   24.439   29.022   7.7270   21.000   11.147   36.442   10.720   86.227   33.960  127.674   32.370 -41.44650 46.91641 
1 1 1   12   30    6 o   70.343   27.192   10.403   7.0398   9.4286   9.8839   11.406   10.029   66.591   29.364   69.763   30.189 -3.171829 42.11436 
1 1 1   12   30    7 o   87.038   28.447   16.521   7.3818   11.588   10.707   20.992   10.191   69.267   30.552   88.210   33.040 -18.94317 45.00091 
1 1 1   12   30    8 o   44.745   21.429  -3.4171   7.0863  -0.7780   9.9830  -6.0974   10.061   53.281   25.496   48.760   23.855 4.520992 34.91539 
1 1 1   12   30    9 o   61.687   26.896   7.1974   8.0842   7.7149   9.6957   6.0170   14.643   62.818   28.294   62.514   30.160 0.3040352 41.35429 
1 1 1   12   30   10 o   76.061   27.766   13.085   7.1166   1.8930   9.6028   26.720   10.600   54.935   25.911   97.893   34.084 -42.95835 42.81464 
1 1 1   12   30   11 o   57.252   25.147   5.4024   7.1834   8.1864   10.095   2.5472   10.224   62.560   28.454   55.898   26.477 6.661915 38.86690 
1 1 1   12   30   12 o   65.465   26.731   9.4875   7.1734   8.7195   10.380   10.189   9.9246   62.717   28.651   64.888   28.971 -2.170448 40.74577 
1 1 1   12   30   13 o   58.181   25.367   6.3042   7.1911   3.9358   9.8848   8.9667   10.481   56.237   26.453   62.448   28.626 -6.211517 38.97702 
1 1 1   12   30   14 o   63.336   26.503   9.0429   7.2883   13.501   10.349   4.6569   10.266   68.250   30.074   56.800   26.791 11.44973 40.27686 
1 1 1   12   30   15 o   54.599   24.296   4.8937   6.9183   2.4963   9.4686   7.6394   10.133   53.429   25.358   59.650   27.630 -6.220806 37.50245 
1 1 1   12   30   16 o   77.239   28.168   15.041   7.3213   2.0258   10.657   26.673   10.075   53.530   25.802   94.104   33.198 -40.57397 42.04575 
1 1 1   12   30   17 o   42.824   20.643  -2.7821   6.8243  -2.5586   9.6472  -3.0061   9.6550   48.084   23.489   47.738   23.358 0.3459892 33.12616 
1 1 1   12   30   18 o   58.347   25.314   7.6232   7.0883   10.625   10.072   4.6776   9.9774   61.426   28.122   54.510   25.917 6.915390 38.24314 
1 1 1   12   30   19 o   54.971   24.572   6.1825   7.1619   7.0962   10.162   5.2805   10.096   56.335   26.597   54.433   25.933 1.902279 37.14754 
1 1 1   12   30   20 o   74.664   28.137   15.713   7.4129   13.214   9.9406   18.843   11.126   62.947   28.473   68.687   30.670 -5.740330 41.84933 
1 1 1   12   30   21 o   45.052   21.652  -0.1083   7.3757  -6.5610   10.428   6.3522   10.434   44.221   22.092   53.660   25.779 -9.439178 33.95048 
1 1 1   12   30   22 o   59.260   26.094   10.557   7.7773   4.7001   11.022   16.364   10.975   51.246   25.049   62.355   28.838 -11.10884 38.19828 
1 1 1   12   31    0 o   61.555   25.936   7.7846   7.0578   10.696   10.012   4.9085   9.9504   65.443   29.167   57.746   26.961 7.696907 39.71960 
1 1 1   12   31    1 o   70.076   27.780   11.658   7.5044   11.575   10.810   11.734   10.426   66.238   29.851   66.715   29.747 -0.4765015 42.14214 
1 1 1   12   31    2 o   54.973   24.529   4.4615   7.1033   5.0074   9.7063   3.8319   10.423   57.669   26.826   56.806   26.855 0.8631134 37.95821 
1 1 1   12   31    3 o   71.621   27.976   12.355   7.5119   7.2391   10.566   17.583   10.682   60.566   28.111   75.568   31.878 -15.00193 42.50220 
1 1 1   12   31    4 o   90.846   28.639   19.071   7.5282   22.908   11.046   15.742   10.288   84.279   33.610   72.885   31.038 11.39470 45.74976 
1 1 1   12   31    5 f   97.019   28.166   20.990   7.4958   10.254   10.710   31.300   10.495   63.888   29.154  106.825   33.829 -42.93731 44.65795 
1 1 1   12   31    6 o   53.265   23.964   3.8598   6.9321   11.073   9.7694  -3.4545   9.8379   65.260   28.964   48.823   23.822 16.43658 37.50214 
1 1 1   12   31    7 o   72.305   29.855   14.691   9.0748   17.268   10.808   8.5320   16.708   73.332   31.535   61.242   30.120 12.09001 43.60807 
1 1 1   12   31    8 o   61.383   27.142   8.6352   8.5009   12.770   9.9809  -2.2880   16.223   66.938   29.513   55.157   27.556 11.78072 40.37759 
1 1 1   12   31    9 o   75.076   27.946   14.088   7.2691   16.394   10.035   11.541   10.545   72.429   30.744   64.185   29.149 8.244156 42.36568 
1 1 1   12   31   10 o   50.624   23.364   2.6159   7.1490   6.8920   10.125  -1.6359   10.096   58.071   27.141   49.748   24.242 8.322933 36.39075 
1 1 1   12   31   11 o   43.805   21.009  -2.0212   6.8642   1.8573   9.3551  -6.5446   10.103   51.807   24.760   45.868   22.718 5.939793 33.60318 
1 1 1   12   31   12 o   60.408   25.943   8.5792   7.2970   9.5639   10.686   7.7187   9.9886   60.193   28.048   58.177   27.112 2.016006 39.00993 
1 1 1   12   31   13 o   40.491   19.768  -4.6452   6.8029 -12.1602   9.4743   3.3531   9.7742   40.876   20.513   52.935   25.302 -12.05862 32.57236 
1 1 1   12   31   14 o   52.948   23.968   4.9332   7.0594  -3.7233   10.040   13.397   9.9278   46.874   23.110   64.657   28.914 -17.78341 37.01484 
1 1 1   12   31   15 o   47.884   22.494   1.7519   7.1065   4.0947   10.143  -0.5074   9.9601   52.962   25.436   48.836   23.859 4.125843 34.87470 
1 1 1   12   31   16 o   43.591   20.972  -1.2882   6.9653 -15.9898   9.8447   13.448   9.8562   38.927   19.703   63.277   28.511 -24.34997 34.65697 
1 1 1   12   31   17 o   46.211   22.018   0.9148   7.2798   4.3970   10.828  -1.9573   9.8339   52.244   25.378   46.627   22.966 5.617474 34.22662 
1 1 1   12   31   18 o   89.071   28.974   22.075   7.6614   21.537   10.622   22.659   11.061   71.301   30.960   71.550   31.321 -0.2495346 44.04060 
1 1 1   12   31   19 o   70.334   28.232   16.280   7.8473   8.4122   11.084   24.185   11.111   53.792   26.022   71.882   31.431 -18.09001 40.80542 
1 1 1   12   31   20 o   43.737   21.240  -0.1020   7.5718   15.300   11.186 -13.1268   10.287   58.758   27.791   39.285   19.912 19.47266 34.18857 
1 1 1   12   31   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   32    0 o   63.070   26.531   10.173   7.3654   9.5665   10.569   10.746   10.270   59.557   27.800   61.118   28.134 -1.561440 39.55192 
1 1 1   12   32    1 o   47.342   22.168   1.2675   6.8082  -3.5810   9.8975   5.6223   9.3800   47.019   23.136   55.072   25.861 -8.052574 34.69971 
1 1 1   12   32    2 o   38.800   19.206  -7.5706   7.1830  -8.7769   10.156  -6.3631   10.161   43.947   21.932   45.451   22.559 -1.503967 31.46283 
1 1 1   12   32    3 o   65.380   27.074   11.383   7.4935   9.5987   10.547   13.203   10.648   59.483   27.767   63.805   29.098 -4.322556 40.22092 
1 1 1   12   32    4 o   44.715   21.455  -1.2286   7.1771  -4.9898   10.226   2.4221   10.075   46.319   22.926   51.938   25.048 -5.619671 33.95568 
1 1 1   12   32    5 o   54.342   24.521   5.7466   7.3209   9.9161   10.448   1.7248   10.261   59.550   27.744   51.320   24.877 8.229630 37.26419 
1 1 1   12   32    6 o   89.973   31.889   24.931   9.3067   26.775   11.135   20.660   16.950   83.541   33.596   63.818   31.167 19.72304 45.82631 
1 1 1   12   32    7 o   64.517   27.190   11.616   7.7587   14.025   10.931   9.1706   11.014   63.534   29.164   58.036   27.488 5.497807 40.07640 
1 1 1   12   32    8 o   49.956   23.226   3.2527   7.2620   2.3320   10.033   4.2658   10.525   51.099   24.728   53.071   25.595 -1.972443 35.58961 
1 1 1   12   32    9 o   43.295   20.940  -1.9668   7.1687   2.3611   10.322  -5.9996   9.9638   51.070   24.801   44.573   22.160 6.496307 33.25843 
1 1 1   12   32   10 o   47.849   22.420   2.2362   6.9836   7.5767   9.9466  -2.9559   9.8074   55.614   26.274   46.215   22.796 9.399551 34.78471 
1 1 1   12   32   11 o   53.099   23.981   5.8597   7.0207  -5.1225   9.8484   17.207   10.011   44.543   22.125   67.795   29.734 -23.25167 37.06270 
1 1 1   12   32   12 o   47.902   22.575   2.4595   7.2612 -12.0541   10.248   17.093   10.290   40.997   20.672   66.282   29.553 -25.28452 36.06571 
1 1 1   12   32   13 o   71.456   27.974   15.569   7.5236   11.559   10.525   19.760   10.758   58.193   27.349   68.185   30.322 -9.991470 40.83369 
1 1 1   12   32   14 o   75.487   28.588   17.771   7.6764   10.793   10.893   24.655   10.820   56.433   26.901   74.583   31.798 -18.15029 41.65051 
1 1 1   12   32   15 o   48.950   22.952   4.1878   7.3416  -1.4986   10.377   9.8866   10.388   45.978   22.817   55.058   26.252 -9.079914 34.78183 
1 1 1   12   32   16 o   48.754   22.821   4.5160   7.2044   5.2465   9.8684   3.6822   10.542   50.094   24.309   49.006   24.066 1.088764 34.20702 
1 1 1   12   32   17 o   36.981   18.478  -7.2584   7.3071  -4.2781   10.614  -9.9434   10.075   43.413   21.776   39.972   20.196 3.441227 29.69969 
1 1 1   12   32   18 o   47.818   22.639   4.8810   7.4560   10.125   10.800   0.1061   10.306   52.108   25.320   44.974   22.388 7.133400 33.79774 
1 1 1   12   33    0 o   69.871   28.041   15.533   7.7396   10.851   10.668   20.736   11.246   56.865   26.967   67.542   30.442 -10.67629 40.66877 
1 1 1   12   33    1 o   54.727   24.549   7.5125   7.2158   8.2541   10.528   6.8557   9.9091   54.416   26.076   53.161   25.428 1.255253 36.42218 
1 1 1   12   33    2 o   63.217   26.719   12.229   7.5270   8.7377   10.859   15.459   10.443   54.758   26.304   62.398   28.592 -7.640079 38.85148 
1 1 1   12   33    3 o   82.227   29.304   20.571   7.8694   12.760   10.947   28.923   11.320   58.539   27.628   79.936   33.203 -21.39747 43.19424 
1 1 1   12   33    4 o   65.060   28.683   15.977   9.4256   3.9342   11.226   44.760   17.354   50.755   24.907   74.266   34.970 -23.51159 42.93253 
1 1 1   12   33    5 o   70.466   29.552   18.544   9.0930   10.094   10.950   37.310   16.319   55.640   26.645   70.691   33.474 -15.05126 42.78412 
1 1 1   12   33    6 o   53.900   24.445   7.3454   7.3832   0.8620   10.564   13.536   10.323   47.996   23.671   59.551   27.689 -11.55519 36.42798 
1 1 1   12   33    7 o   46.674   22.267   2.1625   7.4964  -5.4026   10.542   9.8995   10.662   43.934   21.988   55.125   26.370 -11.19147 34.33465 
1 1 1   12   33    8 o   61.519   26.499   12.137   7.6567   14.695   10.689   9.4413   10.973   59.725   27.905   54.270   26.164 5.455235 38.25205 
1 1 1   12   33    9 o   76.977   28.513   18.713   7.5486   17.974   10.737   19.435   10.614   63.052   28.929   65.264   29.480 -2.212269 41.30340 
1 1 1   12   33   10 o   41.813   20.386  -1.4678   7.1648   2.3431   10.451  -4.8469   9.8414   47.952   23.630   42.827   21.406 5.124908 31.88379 
1 1 1   12   33   11 o   57.708   25.475   10.638   7.4589   14.138   10.301   6.7799   10.815   58.025   27.201   50.851   24.847 7.174450 36.84126 
1 1 1   12   33   12 o   53.667   24.627   8.7965   7.7855   5.5348   11.080   11.977   10.942   49.419   24.348   54.480   26.230 -5.060455 35.78891 
1 1 1   12   33   13 o   43.269   21.002   0.7163   7.3775  -2.8773   10.471   4.2590   10.396   43.474   21.781   47.873   23.586 -4.398335 32.10465 
1 1 1   12   33   14 o   81.540   29.023   22.605   7.7168   23.426   10.991   21.807   10.837   64.572   29.492   63.036   28.974 1.536278 41.34333 
1 1 1   12   33   15 o   47.932   22.773   5.9230   7.6775  -4.0326   10.858   15.879   10.858   42.138   21.251   55.378   26.523 -13.24037 33.98640 
1 1 1   12   33   16 o   42.688   20.824   1.6383   7.5078  -0.5206   10.750   3.6937   10.490   43.143   21.678   45.402   22.598 -2.259098 31.31479 
1 1 1   12   34    0 o   53.847   24.584   9.3405   7.6273   23.778   10.895  -4.5348   10.681   66.387   29.939   42.669   21.462 23.71838 36.83691 
1 1 1   12   34    1 o   44.933   21.730   2.1913   7.7134   15.916   10.866 -11.7473   10.951   57.279   27.179   39.737   20.184 17.54182 33.85372 
1 1 1   12   34    2 o   50.517   24.100   7.4173   8.7810   7.2111   10.506   7.8950   15.993   49.888   24.401   49.687   25.145 0.2010994 35.03826 
1 1 1   12   34    3 o   40.739   20.350  -4.4587   8.8310  -2.5349   10.454  -9.2520   16.501   43.475   21.779   44.571   22.820 -1.096291 31.54437 
1 1 1   12   34    4 o   41.036   20.237  -1.9545   7.7166  -0.7569   10.616  -3.2964   11.237   44.483   22.233   43.569   21.928 0.9140854 31.22748 
1 1 1   12   34    5 o   45.872   21.940   3.5238   7.3732   3.9249   10.457   3.1273   10.397   47.158   23.313   46.612   23.080 0.5460701 32.80488 
1 1 1   12   34    6 o   47.960   22.678   5.4145   7.4399   9.0526   10.640   1.9345   10.407   50.637   24.722   45.654   22.688 4.982784 33.55463 
1 1 1   12   34    7 o   52.852   24.355   9.3980   7.7241   4.5570   10.831   14.408   11.019   47.167   23.390   54.419   26.232 -7.252281 35.14521 
1 1 1   12   34    8 o   46.700   22.244   4.8064   7.4177   1.2961   10.040   9.0247   11.007   44.581   22.176   49.787   24.478 -5.206280 33.03011 
1 1 1   12   34    9 o   46.131   22.121   4.5844   7.6039   16.226   10.687  -7.3510   10.821   55.510   26.512   40.400   20.472 15.11060 33.49583 
1 1 1   12   34   10 o   44.028   21.265   3.0423   7.3292   1.7443   10.371   4.3373   10.359   44.269   22.104   45.850   22.760 -1.581604 31.72715 
1 1 1   12   34   11 o   38.690   19.172  -2.3433   7.2274  -2.5321   9.8555  -2.1235   10.631   41.188   20.704   41.917   21.126 -0.7284088 29.57954 
1 1 1   12   34   12 o   63.007   26.787   17.004   7.6388   13.531   10.638   20.701   10.976   51.027   24.869   56.746   27.037 -5.719048 36.73523 
1 1 1   12   34   13 f   41.778   20.557   1.8614   7.8142   3.9737   11.355  -0.0392   10.770   44.042   22.150   41.967   21.165 2.075176 30.63655 
1 1 1   12   35    0 o   42.901   21.095   2.9783   8.1839  -3.3128   11.624   9.1616   11.524   41.020   20.831   46.799   23.356 -5.778645 31.29601 
1 1 1   12   35    1 o   40.785   20.390  -0.5736   8.9512  -8.3007   10.434   20.970   17.422   38.236   19.449   48.852   24.876 -10.61575 31.57602 
1 1 1   12   35    2 o   49.136   23.621   10.115   8.7928   12.302   10.705   5.5800   15.415   49.212   24.184   44.803   22.867 4.408436 33.28318 
1 1 1   12   35    3 o   36.156   18.166  -5.5753   7.5435  -1.4607   10.943  -9.3006   10.413   41.340   20.907   37.743   19.220 3.596695 28.39925 
1 1 1   12   35    4 o   43.918   21.317   4.4980   7.6001   7.2557   10.852   1.8438   10.647   45.601   22.744   42.662   21.455 2.938972 31.26624 
1 1 1   12   35    5 o   42.439   20.847   2.9970   7.9270   5.5480   11.083   0.3248   11.343   44.422   22.278   41.985   21.239 2.436996 30.77990 
1 1 1   12   35    6 o   37.835   18.909  -2.6515   7.6718 -24.1562   10.884   18.579   10.815   33.411   17.180   52.971   25.644 -19.55993 30.86730 
1 1 1   12   35    7 o   42.264   20.821   3.3209   8.0976 -10.6797   11.430   17.429   11.474   37.553   19.208   50.578   24.891 -13.02525 31.44088 
1 1 1   12   35    8 o   35.037   17.794  -8.8542   8.4953  -6.5210   14.056 -10.1969   10.663   39.950   20.496   36.823   18.812 3.126289 27.82055 
1 1 1   12   35    9 o   42.785   21.242   4.9238   9.0373   1.6110   15.732   6.5553   11.041   41.919   21.518   43.520   21.881 -1.601654 30.68898 
1 1 1   12   36    0 o   43.526   21.897   11.583   11.135   11.583   11.135   0.0000   0.0000   43.526   21.897  ?   ?  0.000000 21.89657 
1 1 1   12   36    1 o   37.131   18.974  -4.2493   10.917  -4.2493   10.917   0.0000   0.0000   37.131   18.974  ?   ?  0.000000 18.97443 
1 1 1   12   36    2 o   34.709   17.838 -13.9232   11.520 -13.9232   11.520   0.0000   0.0000   34.709   17.838  ?   ?  0.000000 17.83780 
1 1 1   12   36    3 o   36.111   18.700 -22.6000   17.115 -22.6000   17.115   0.0000   0.0000   36.111   18.700  ?   ?  0.000000 18.70000 
1 1 1   13    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0    2 o  364.066   11.316  172.458   10.648  172.458   10.648  172.458   10.648  364.066   11.316  364.066   11.316 0.000000 0.000000 
1 1 1   13    0    3 o  177.243   11.721   41.294   5.3271   41.294   5.3271   41.294   5.3271  177.243   11.721  177.243   11.721 0.000000 0.000000 
1 1 1   13    0    4 o  288.719   10.542  108.563   7.8600  108.563   7.8600  108.563   7.8600  288.719   10.542  288.719   10.542 0.000000 0.000000 
1 1 1   13    0    5 o  530.241   11.917  365.453   16.350  365.453   16.350  365.453   16.350  530.241   11.917  530.241   11.917 0.000000 0.000000 
1 1 1   13    0    6 o  161.768   11.186   34.441   4.6358   34.441   4.6358   34.441   4.6358  161.768   11.186  161.768   11.186 0.000000 0.000000 
1 1 1   13    0    7 f  334.326   16.229  146.400   13.978  146.400   13.978  146.400   13.978  334.326   16.229  334.326   16.229 0.000000 0.000000 
1 1 1   13    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0    9 o  199.026   16.602   52.620   8.4218   52.620   8.4218   52.620   8.4218  199.026   16.602  199.026   16.602 0.000000 0.000000 
1 1 1   13    0   10 o  211.135   12.776   58.553   6.9286   58.553   6.9286   58.553   6.9286  211.135   12.776  211.135   12.776 0.000000 0.000000 
1 1 1   13    0   11 o   24.462   16.973  -3.2244   3.7505  -3.2244   3.7505  -3.2244   3.7505   24.462   16.973   24.462   16.973 0.000000 0.000000 
1 1 1   13    0   12 o  248.886   12.870   81.188   8.2463   81.188   8.2463   81.188   8.2463  248.886   12.870  248.886   12.870 0.000000 0.000000 
1 1 1   13    0   13 f  576.792   13.070  433.523   19.505  433.523   19.505  433.523   19.505  576.792   13.070  576.792   13.070 0.000000 0.000000 
1 1 1   13    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0   15 o  113.169   25.754   19.223   6.5801   19.223   6.5801   19.223   6.5801  113.169   25.754  113.169   25.754 0.000000 0.000000 
1 1 1   13    0   16 o  292.465   14.010  112.334   10.558  112.334   10.558  112.334   10.558  292.465   14.010  292.465   14.010 0.000000 0.000000 
1 1 1   13    0   17 o   52.695   26.158   5.4336   4.3143   5.4336   4.3143   5.4336   4.3143   52.695   26.158   52.695   26.158 0.000000 0.000000 
1 1 1   13    0   18 o  482.528   12.427  304.216   15.509  304.216   15.509  304.216   15.509  482.528   12.427  482.528   12.427 0.000000 0.000000 
1 1 1   13    0   19 o   89.293   25.281   12.758   5.0645   12.758   5.0645   12.758   5.0645   89.293   25.281   89.293   25.281 0.000000 0.000000 
1 1 1   13    0   20 o  136.135   16.643   25.384   5.6343   25.384   5.6343   25.384   5.6343  136.135   16.643  136.135   16.643 0.000000 0.000000 
1 1 1   13    0   21 o   34.754   22.375   0.2292   4.6364   0.2292   4.6364   0.2292   4.6364   34.754   22.375   34.754   22.375 0.000000 0.000000 
1 1 1   13    0   22 o  156.364   16.872   33.308   6.6323   33.308   6.6323   33.308   6.6323  156.364   16.872  156.364   16.872 0.000000 0.000000 
1 1 1   13    0   23 o  246.922   13.893   80.804   8.8218   80.804   8.8218   80.804   8.8218  246.922   13.893  246.922   13.893 0.000000 0.000000 
1 1 1   13    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0   25 o   75.443   32.423   11.254   6.4944   11.254   6.4944   11.254   6.4944   75.443   32.423   75.443   32.423 0.000000 0.000000 
1 1 1   13    0   26 o  240.112   14.738   77.158   9.0872   77.158   9.0872   77.158   9.0872  240.112   14.738  240.112   14.738 0.000000 0.000000 
1 1 1   13    0   27 o  166.025   18.201   38.245   7.5882   38.245   7.5882   38.245   7.5882  166.025   18.201  166.025   18.201 0.000000 0.000000 
1 1 1   13    0   28 o   42.187   28.526  -2.5030   9.1615  -2.5030   9.1615  -2.5030   9.1615   42.187   28.526   42.187   28.526 0.000000 0.000000 
1 1 1   13    0   29 o   35.234   23.636  -1.4487   6.0576  -1.4487   6.0576  -1.4487   6.0576   35.234   23.636   35.234   23.636 0.000000 0.000000 
1 1 1   13    0   30 o   45.041   27.895   3.0174   6.4649   3.0174   6.4649   3.0174   6.4649   45.041   27.895   45.041   27.895 0.000000 0.000000 
1 1 1   13    0   31 o   33.597   23.129  -3.5137   6.6339  -3.5137   6.6339  -3.5137   6.6339   33.597   23.129   33.597   23.129 0.000000 0.000000 
1 1 1   13    0   32 o   80.948   35.439   14.385   7.7464   14.385   7.7464   14.385   7.7464   80.948   35.439   80.948   35.439 0.000000 0.000000 
1 1 1   13    0   33 o   51.178   33.012   4.1200   10.159   4.1200   10.159   4.1200   10.159   51.178   33.012   51.178   33.012 0.000000 0.000000 
1 1 1   13    0   34 o  220.225   30.987   79.550   16.671   79.550   16.671   79.550   16.671  220.225   30.987  220.225   30.987 0.000000 0.000000 
1 1 1   13    0   35 o   77.426   38.140   15.824   9.1433   15.824   9.1433   15.824   9.1433   77.426   38.140   77.426   38.140 0.000000 0.000000 
1 1 1   13    0   36 o  206.631   20.671   63.756   10.810   63.756   10.810   63.756   10.810  206.631   20.671  206.631   20.671 0.000000 0.000000 
1 1 1   13    0   37 o  300.849   17.009  129.494   13.158  129.494   13.158  129.494   13.158  300.849   17.009  300.849   17.009 0.000000 0.000000 
1 1 1   13    0   38 o   82.376   39.177   19.443   9.5363   19.443   9.5363   19.443   9.5363   82.376   39.177   82.376   39.177 0.000000 0.000000 
1 1 1   13    0   39 o   36.084   25.401  -3.6741   9.3065  -3.6741   9.3065  -3.6741   9.3065   36.084   25.401   36.084   25.401 0.000000 0.000000 
1 1 1   13    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    1    1 o  380.436   11.507  188.019   11.339   0.0000   0.0000  188.019   11.339  ?   ?   380.436   11.507 0.000000 11.50673 
1 1 1   13    1    2 o  507.412   12.270  334.623   16.127  326.700   22.990  342.300   22.629  500.420   17.736  512.369   17.050 -11.94901 24.60201 
1 1 1   13    1    3 f  154.026   14.072   31.123   5.5522   27.220   8.5849   33.930   7.2796  142.094   24.191  160.289   17.835 -18.19426 30.05500 
1 1 1   13    1    4 o  379.257   11.647  186.899   11.442  205.800   16.957  171.100   15.503  397.324   16.476  362.276   16.521 35.04813 23.33222 
1 1 1   13    1    5 o  689.928   13.275  619.196   23.724   0.0000   0.0000  619.196   23.724  ?   ?   689.928   13.275 0.000000 13.27499 
1 1 1   13    1    6 o  192.574   11.728   48.378   5.8222   0.0000   0.0000   48.378   5.8222  ?   ?   192.574   11.728 0.000000 11.72768 
1 1 1   13    1    7 o  377.133   11.515  184.867   11.249   0.0000   0.0000  184.867   11.249  ?   ?   377.133   11.515 0.000000 11.51546 
1 1 1   13    1    8 o  296.513   11.594  114.303   8.9052  115.700   11.726  112.400   13.688  297.523   15.267  292.685   18.144 4.837616 23.71240 
1 1 1   13    1    9 o  452.767   11.663  266.590   13.678  266.590   13.678   0.0000   0.0000  452.767   11.663  ?   ?  0.000000 11.66303 
1 1 1   13    1   10 o   69.261   17.010   6.5185   3.0295   7.9952   4.0478   4.6380   4.5677   76.685   20.125   63.348   22.353 13.33722 30.07714 
1 1 1   13    1   11 o  135.900   11.250   24.188   3.9245   21.096   5.3831   27.695   5.7336  125.905   16.935  144.816   15.527 -18.91120 22.97608 
1 1 1   13    1   12 f   85.078   16.894   9.8015   3.5918   9.4172   5.0720   10.188   5.0872   83.144   22.846   86.288   22.520 -3.143959 32.07986 
1 1 1   13    1   13 o  150.122   11.605   29.524   4.4778   38.635   6.3735   20.642   6.2925  171.374   14.494  123.648   20.355 47.72556 24.98772 
1 1 1   13    1   14 o  197.390   15.394   51.303   7.8090   51.303   7.8090   0.0000   0.0000  197.390   15.394  ?   ?  0.000000 15.39449 
1 1 1   13    1   15 o   79.486   24.910   8.3929   5.7043   0.0000   0.0000   8.3929   5.7043  ?   ?    79.486   24.910 0.000000 24.90954 
1 1 1   13    1   16 o  296.210   9.1458  114.151   7.0173  116.500   13.753  113.324   8.1593  296.819   17.973  294.893   10.682 1.926270 20.90745 
1 1 1   13    1   17 o  218.766   9.8635   62.339   5.5894   58.440   10.640   63.825   6.5687  209.127   19.881  220.836   11.523 -11.70879 22.97910 
1 1 1   13    1   18 o  312.161   9.9844  127.001   8.0733  113.800   14.067  133.485   9.8586  292.665   18.652  319.608   11.908 -26.94220 22.12964 
1 1 1   13    1   19 o  212.786   9.2833   58.984   5.1168   60.220   7.3569   57.826   7.1213  213.945   13.342  209.672   13.179 4.272675 18.75334 
1 1 1   13    1   20 f   46.793   18.192   1.8656   3.1647   1.2505   4.4366   2.5028   4.5155   50.869   20.925   55.090   21.641 -4.220482 30.10299 
1 1 1   13    1   21 o   75.481   19.023   7.8774   3.7179   13.270   5.3763   2.9355   5.1470   97.607   21.813   58.835   23.107 38.77230 31.77627 
1 1 1   13    1   22 o   46.463   18.800   1.3346   3.5099   3.9093   4.9514  -1.2658   4.9762   61.135   23.004   47.000   20.775 14.13511 30.99658 
1 1 1   13    1   23 o  106.273   15.636   15.259   4.1756   15.889   5.8922   14.623   5.9183  106.571   22.071  101.897   22.972 4.673653 31.85625 
1 1 1   13    1   24 o   57.671   24.931  -0.0262   6.8268   0.0000   0.0000  -0.0262   6.8268  ?   ?    57.671   24.931 0.000000 24.93145 
1 1 1   13    1   25 o  103.163   20.852   14.926   5.3806   16.349   6.4842   11.780   9.6418  106.991   23.989   92.563   32.492 14.42850 40.38807 
1 1 1   13    1   26 o  177.697   11.839   41.790   5.4181   44.562   8.0404   39.485   7.3330  181.367   17.325  170.872   16.784 10.49548 24.12224 
1 1 1   13    1   27 o  209.111   13.169   58.185   7.0969   59.671   8.9181   55.620   11.719  210.193   16.513  199.032   23.165 11.16132 28.44752 
1 1 1   13    1   28 o  307.480   11.564  124.850   9.2104  121.501   11.238  131.700   16.074  301.748   14.378  309.244   20.177 -7.496490 24.77576 
1 1 1   13    1   29 o   87.310   23.310   11.087   5.3706   14.840   9.9876   9.5610   6.3699   98.816   33.120   81.604   26.410 17.21193 42.36038 
1 1 1   13    1   30 o  123.901   17.329   21.223   5.4095   22.169   7.8647   20.374   7.4523  122.460   25.617  117.478   25.242 4.981522 35.96349 
1 1 1   13    1   31 o   42.654   19.487  -2.4940   4.8021  -6.4619   6.6299   1.8849   6.9649   45.079   21.343   60.662   25.674 -15.58347 33.38677 
1 1 1   13    1   32 o   72.331   24.291   7.4414   5.3727   2.1835   7.8639   12.044   7.3575   63.636   27.119   88.720   28.349 -25.08402 39.23168 
1 1 1   13    1   33 o   46.778   22.287  -7.4890   7.4561 -18.1900   12.166  -1.0520   9.4358   53.027   26.003   62.115   27.951 -9.088142 38.17576 
1 1 1   13    1   34 o  110.935   25.740   19.058   7.2534   19.773   8.8753   17.620   12.587  109.730   30.250  100.152   36.870 9.577820 47.69184 
1 1 1   13    1   35 o  201.795   20.987   59.285   10.810   0.0000   0.0000   59.285   10.810  ?   ?   201.795   20.987 0.000000 20.98718 
1 1 1   13    1   36 o   65.076   25.243   5.4200   6.0831   15.214   8.7733  -3.6485   8.4419   94.334   31.021   54.135   25.126 40.19861 39.92039 
1 1 1   13    1   37 o   74.309   26.479   8.5150   6.4250   3.0669   9.1304   13.859   9.0427   65.707   28.618   89.427   31.462 -23.71941 42.53015 
1 1 1   13    1   38 o  129.330   22.101   25.539   7.1381   14.486   10.125   36.461   10.065   89.206   33.027  149.839   26.921 -60.63344 42.60900 
1 1 1   13    1   39 o  128.649   21.593   25.420   6.9408   26.345   9.9173   24.533   9.7173  120.230   31.475  115.646   31.559 4.584091 44.57188 
1 1 1   13    2    0 o  432.080   8.3900  242.191   9.3903  231.794   13.163  252.966   13.400  422.340   12.032  441.245   11.724 -18.90469 16.79945 
1 1 1   13    2    1 o  822.534   14.746  880.694   31.418  913.300   45.879  851.900   43.113  835.375   21.202  807.031   20.624 28.34381 29.57831 
1 1 1   13    2    2 o  438.623   12.250  250.055   13.918  264.700   20.486  237.500   18.968  450.448   17.557  426.747   17.160 23.70187 24.55004 
1 1 1   13    2    3 o  303.836   12.343  120.000   9.7142  120.000   14.343  120.000   13.203  302.623   18.385  302.893   16.896 -0.2706604 24.96918 
1 1 1   13    2    4 o  303.916   12.379  120.075   9.7452  123.000   14.394  117.600   13.242  306.399   18.218  299.777   17.124 6.622162 25.00245 
1 1 1   13    2    5 o  365.207   12.310  173.404   11.645  160.100   16.566  186.400   16.373  349.633   18.356  378.035   16.721 -28.40295 24.83018 
1 1 1   13    2    6 o  236.276   11.990   72.761   7.3139   0.0000   0.0000   72.761   7.3139  ?   ?   236.276   11.990 0.000000 11.98955 
1 1 1   13    2    7 o  334.265   11.799  145.264   10.216   0.0000   0.0000  145.264   10.216  ?   ?   334.265   11.799 0.000000 11.79878 
1 1 1   13    2    8 o  124.256   16.631   20.505   5.2186   0.0000   0.0000   20.505   5.2186  ?   ?   124.256   16.631 0.000000 16.63121 
1 1 1   13    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    2   10 o  325.003   11.439  137.389   9.6301  137.389   9.6301   0.0000   0.0000  325.003   11.439  ?   ?  0.000000 11.43918 
1 1 1   13    2   11 o  179.515   10.075   42.018   4.6660   40.578   6.2942   43.775   6.9523  175.861   13.931  182.546   14.831 -6.685211 20.34807 
1 1 1   13    2   12 o  346.487   8.7786  155.949   7.8788  166.800   11.056  144.750   11.231  357.891   11.926  333.224   13.012 24.66626 17.65020 
1 1 1   13    2   13 o   69.867   24.020   5.9500   5.2561   5.9500   5.2561   0.0000   0.0000   69.867   24.020  ?   ?  0.000000 24.01962 
1 1 1   13    2   14 o  323.961   10.481  136.615   8.7953  125.100   14.142  143.879   11.232  308.059   17.798  332.000   13.061 -23.94144 22.07584 
1 1 1   13    2   15 o  137.832   13.747   25.078   4.8426   0.0000   0.0000   25.078   4.8426  ?   ?   137.832   13.747 0.000000 13.74699 
1 1 1   13    2   16 o  337.969   9.0759  148.605   7.9454  149.700   15.556  148.219   9.2420  336.578   17.907  337.258   10.579 -0.6795654 20.79826 
1 1 1   13    2   17 f   88.182   17.087   10.580   3.7621   0.1208   7.6694   13.894   4.3172   62.155   26.642  101.391   17.043 -39.23589 31.62696 
1 1 1   13    2   18 o  286.665   9.3535  107.027   6.9454  110.900   13.589  105.657   8.0805  289.022   18.246  284.529   10.964 4.493073 21.28622 
1 1 1   13    2   19 o  127.850   13.642   21.673   4.4480   20.530   8.8939   22.054   5.1366  120.254   28.909  128.493   15.763 -8.238319 32.92756 
1 1 1   13    2   20 o  144.879   11.372   27.608   4.2336   28.248   6.0596   26.997   5.9173  145.395   16.375  142.098   16.376 3.296555 23.15809 
1 1 1   13    2   21 o   61.201   19.561   4.9190   3.5028   5.7406   5.3714   4.3111   4.6205   68.679   24.239   61.586   22.389 7.092957 32.99694 
1 1 1   13    2   22 o   48.895   18.828   2.1918   3.3651   0.5929   5.3102   3.2649   4.3501   52.947   22.413   56.845   21.522 -3.897678 31.07376 
1 1 1   13    2   23 o   28.801   14.140  -7.2204   3.6321  -8.7997   5.0786  -5.5670   5.1965   35.339   17.215   40.239   19.004 -4.899387 25.64196 
1 1 1   13    2   24 o  161.420   11.975   34.436   4.9713   39.183   7.3972   30.526   6.7134  170.604   16.964  150.173   17.592 20.43127 24.43838 
1 1 1   13    2   25 o   86.889   24.150   10.771   5.6314   4.4040   7.7007   18.090   8.2563   70.220   28.044  110.997   28.553 -40.77721 40.02186 
1 1 1   13    2   26 o   37.877   17.410  -2.6222   3.9130   2.3874   5.7107  -7.0560   5.3725   58.591   23.879   38.834   18.614 19.75661 30.27691 
1 1 1   13    2   27 o   37.617   17.875  -5.4404   4.7337  -9.0915   5.9404   0.9110   7.8350   39.118   18.954   62.517   26.866 -23.39938 32.87938 
1 1 1   13    2   28 o  115.555   16.964   18.357   4.9264   28.642   7.3927   10.141   6.6073  143.146   20.525   83.960   26.869 59.18542 33.81149 
1 1 1   13    2   29 o   56.112   23.079   2.0767   5.3958  -6.5080   10.210   5.4034   6.3559   58.904   27.438   68.323   25.980 -9.418262 37.78617 
1 1 1   13    2   30 o  107.844   23.242   16.952   6.3012   29.310   11.476   11.617   7.5394  136.172   32.902   88.420   28.741 47.75249 43.68752 
1 1 1   13    2   31 o   47.160   20.713  -0.5031   4.8725   4.2164   7.1584  -4.5775   6.6512   66.551   26.876   47.763   22.214 18.78706 34.86765 
1 1 1   13    2   32 o  144.736   23.522   30.676   8.5158   30.676   8.5158   0.0000   0.0000  144.736   23.522  ?   ?  0.000000 23.52184 
1 1 1   13    2   33 o  264.887   16.925   97.023   11.552   93.090   16.293  101.000   16.382  249.696   25.550  261.556   24.463 -11.86061 35.37302 
1 1 1   13    2   34 o   80.442   29.808   9.6503   8.2515  -6.2220   11.084   29.380   12.358   59.685   28.055  128.856   35.762 -69.17094 45.45345 
1 1 1   13    2   35 o  140.501   19.001   28.374   6.7379   33.816   9.7778   23.452   9.2979  147.082   26.646  118.832   30.156 28.24957 40.24159 
1 1 1   13    2   36 o  209.792   14.486   60.665   7.8240   62.791   11.279   58.692   10.862  206.357   21.413  199.542   21.346 6.814850 30.23560 
1 1 1   13    2   37 o  303.181   11.790  124.143   9.2588  134.630   13.305  114.295   12.893  309.108   16.678  283.389   17.651 25.71912 24.28448 
1 1 1   13    2   38 o  106.825   24.726   18.282   6.7065   20.051   9.4854   16.514   9.4833  104.804   32.003   94.861   32.270 9.942955 45.44854 
1 1 1   13    2   39 o   63.710   25.627   5.3010   6.4811   2.4599   9.2550   8.0349   9.0788   63.264   28.129   73.133   29.991 -9.869305 41.11861 
1 1 1   13    3    0 o  263.547   10.211   90.181   6.9705  109.100   13.894   83.818   8.0579  288.449   18.697  253.941   12.250 34.50745 22.35256 
1 1 1   13    3    1 o  344.316   12.811  154.148   11.426  150.400   16.502  157.600   15.836  338.816   18.878  347.098   17.672 -8.281769 25.85909 
1 1 1   13    3    2 o  414.228   12.620  223.084   13.541  215.400   19.601  230.100   18.730  406.113   18.633  419.998   17.216 -13.88480 25.36842 
1 1 1   13    3    3 o  459.267   12.653  274.257   15.053  282.600   21.990  266.900   20.648  465.217   18.248  452.233   17.627 12.98447 25.37116 
1 1 1   13    3    4 o  169.721   16.966   37.944   7.3588   33.610   10.785   41.720   10.066  157.447   27.441  176.997   22.462 -19.54924 35.46164 
1 1 1   13    3    5 o  262.776   13.753   90.113   9.3287   95.320   13.740   85.660   12.706  269.208   19.844  255.224   19.363 13.98378 27.72589 
1 1 1   13    3    6 o  355.852   13.169  164.773   12.139  163.700   17.829  165.700   16.573  353.176   19.565  355.680   18.048 -2.504211 26.61818 
1 1 1   13    3    7 o  168.806   14.301   37.380   6.1944   0.0000   0.0000   37.380   6.1944  ?   ?   168.806   14.301 0.000000 14.30080 
1 1 1   13    3    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    3    9 o  242.155   13.319   76.598   8.3221   0.0000   0.0000   76.598   8.3221  ?   ?   242.155   13.319 0.000000 13.31876 
1 1 1   13    3   10 o   96.505   16.928   12.526   4.0772   12.526   4.0772   0.0000   0.0000   96.505   16.928  ?   ?  0.000000 16.92779 
1 1 1   13    3   11 o  339.413   11.673  149.945   10.262  149.945   10.262   0.0000   0.0000  339.413   11.673  ?   ?  0.000000 11.67275 
1 1 1   13    3   12 o  228.867   13.575   68.572   8.0120   68.572   8.0120   0.0000   0.0000  228.867   13.575  ?   ?  0.000000 13.57533 
1 1 1   13    3   13 o  162.167   10.021   34.337   4.1887   44.410   8.5845   31.190   4.7987  182.963   18.361  154.227   12.109 28.73589 21.99464 
1 1 1   13    3   14 o  252.354   9.1084   82.803   5.9539   81.230   11.967   83.320   6.8636  247.696   18.792  252.982   10.474 -5.285385 21.51408 
1 1 1   13    3   15 o  236.375   9.6145   72.710   5.8868   67.640   11.948   74.336   6.7650  225.157   20.718  238.836   10.935 -13.67917 23.42641 
1 1 1   13    3   16 o   81.890   25.484   8.9984   5.9821   0.0000   0.0000   8.9984   5.9821  ?   ?    81.890   25.484 0.000000 25.48361 
1 1 1   13    3   17 o  179.383   11.022   42.138   5.0964   42.660   10.050   41.957   5.9132  177.549   22.347  178.642   12.865 -1.093201 25.78539 
1 1 1   13    3   18 o   49.904   19.415   2.1157   3.6069   0.3069   7.2398   2.7128   4.1599   60.745   25.957   54.434   20.942 6.310688 33.35183 
1 1 1   13    3   19 o  126.174   13.572   21.114   4.3659   29.580   8.8291   18.374   5.0230  146.500   24.105  116.765   17.115 29.73468 29.56343 
1 1 1   13    3   20 o  284.982   9.6784  105.924   7.1445   93.000   13.752  110.702   8.3614  263.209   20.328  291.021   11.092 -27.81131 23.15728 
1 1 1   13    3   21 o  325.092   10.400  138.080   8.7573  130.900   15.617  141.373   10.577  312.636   19.380  328.332   12.436 -15.69553 23.02705 
1 1 1   13    3   22 o  100.857   16.338   13.804   4.1223   16.022   6.1822   12.028   5.5316  106.881   23.011   92.448   23.151 14.43299 32.64135 
1 1 1   13    3   23 o   52.555   22.356   0.4611   5.3265  -5.4580   9.3456   3.3090   6.4825   58.621   26.930   64.253   25.706 -5.632137 37.22940 
1 1 1   13    3   24 o  153.072   12.546   31.055   4.9307   25.964   7.2745   35.381   6.7062  136.955   21.190  162.284   16.169 -25.32915 26.65405 
1 1 1   13    3   25 o   62.850   24.833   3.5563   5.9785  -6.3820   8.3776   13.870   8.5344   53.309   24.839   97.580   30.450 -44.27100 39.29606 
1 1 1   13    3   26 o  233.523   12.485   72.243   7.5248   68.205   9.1238   80.830   13.306  225.413   15.724  241.947   21.454 -16.53470 26.59945 
1 1 1   13    3   27 f   58.727   23.045   3.2484   5.1154   4.4294   6.3965   1.1530   8.5202   66.075   25.814   65.150   28.008 0.9252396 38.08937 
1 1 1   13    3   28 o   93.432   20.673   12.440   4.8707   6.9199   7.1515   17.216   6.6520   74.541   27.725  108.784   24.228 -34.24261 36.81967 
1 1 1   13    3   29 o   58.075   22.375   3.5145   4.7540  -1.1092   6.9888   7.4964   6.4857   55.209   24.501   74.840   26.611 -19.63069 36.17210 
1 1 1   13    3   30 o  160.910   16.356   35.388   6.7225   33.220   13.167   36.153   7.8182  142.769   35.699  161.168   19.099 -18.39836 40.48701 
1 1 1   13    3   31 o  151.944   16.049   31.639   6.2212   31.883   9.3727   31.448   8.3176  146.722   25.592  147.803   22.430 -1.081512 34.03028 
1 1 1   13    3   32 o  166.418   17.409   38.440   7.3934   32.691   9.0964   49.630   12.691  148.697   24.468  180.526   28.051 -31.82834 37.22255 
1 1 1   13    3   33 o   89.603   27.789   12.557   7.1201   30.840   13.553   5.5870   8.3679  131.200   37.811   71.316   28.967 59.88360 47.63136 
1 1 1   13    3   34 o  185.717   21.830   50.397   10.301   70.140   14.357   29.450   14.788  213.992   26.465  123.376   40.260 90.61584 48.17973 
1 1 1   13    3   35 o  132.397   19.879   25.489   6.6068   29.394   9.6873   22.093   9.0337  134.965   28.599  115.217   29.981 19.74783 41.43367 
1 1 1   13    3   36 o   78.931   26.559   9.8231   6.4229   4.4471   9.2420   14.845   8.9325   68.827   29.367   92.877   31.321 -24.04941 42.93498 
1 1 1   13    3   37 o   86.412   26.656   12.224   6.5615   12.433   9.4068   12.025   9.1569   85.367   31.788   84.376   31.374 0.9912567 44.66383 
1 1 1   13    3   38 o   37.003   18.209 -10.5980   6.1362  -9.6740   8.5861 -11.5625   8.7728   47.022   22.785   45.938   22.432 1.084194 31.97411 
1 1 1   13    3   39 o   82.047   27.012   11.497   6.6514   7.5473   9.5052   15.286   9.3109   72.354   30.270   90.006   31.897 -17.65172 43.97372 
1 1 1   13    4    0 o  643.628   12.914  538.735   21.530   0.0000   0.0000  538.735   21.530  ?   ?   643.628   12.914 0.000000 12.91370 
1 1 1   13    4    1 f  829.307   21.127  900.600   45.384   0.0000   0.0000  900.600   45.384  ?   ?   829.307   21.127 0.000000 21.12687 
1 1 1   13    4    2 o  480.488   12.977  300.273   16.152  311.600   23.799  290.600   21.992  488.338   18.814  471.772   17.996 16.56604 26.03545 
1 1 1   13    4    3 o  157.607   19.103   32.933   7.6395   32.130   11.533   33.560   10.198  153.226   30.131  157.677   25.865 -4.451065 39.71022 
1 1 1   13    4    4 o  213.862   15.475   59.912   8.5146   58.110   12.709   61.380   11.469  208.964   23.910  215.515   20.803 -6.550705 31.69322 
1 1 1   13    4    5 o  488.702   13.044  310.740   16.513  330.900   24.136  293.000   22.640  503.140   18.519  473.463   18.461 29.67615 26.14871 
1 1 1   13    4    6 o  304.557   14.041  120.796   11.077  123.500   16.347  118.500   15.063  306.281   20.726  300.279   19.470 6.002380 28.43716 
1 1 1   13    4    7 o  155.237   15.617   31.744   6.1944   0.0000   0.0000   31.744   6.1944  ?   ?   155.237   15.617 0.000000 15.61667 
1 1 1   13    4    8 o  198.152   14.104   51.419   7.1921   0.0000   0.0000   51.419   7.1921  ?   ?   198.152   14.104 0.000000 14.10433 
1 1 1   13    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    4   10 o  114.623   14.422   17.405   4.1873   17.405   4.1873   0.0000   0.0000  114.623   14.422  ?   ?  0.000000 14.42236 
1 1 1   13    4   11 o  179.549   13.752   42.295   6.3471   42.295   6.3471   0.0000   0.0000  179.549   13.752  ?   ?  0.000000 13.75159 
1 1 1   13    4   12 f  292.696   9.5321  111.374   7.2270   98.460   12.549  117.782   8.8400  273.371   17.820  300.763   11.347 -27.39197 21.12571 
1 1 1   13    4   13 o  157.095   10.847   32.283   4.3868   27.300   8.6570   34.005   5.0884  141.405   24.524  161.027   12.292 -19.62160 27.43198 
1 1 1   13    4   14 o  362.889   8.8504  171.214   8.3193  180.000   16.474  168.206   9.6386  370.119   17.183  359.433   10.352 10.68597 20.06105 
1 1 1   13    4   15 o   39.331   16.778  -0.0120   3.0151  -1.9530   7.0776   0.4184   3.3327   55.893   24.737   42.669   17.892 13.22411 30.52991 
1 1 1   13    4   16 o  174.998   17.317   40.725   7.7467   0.0000   0.0000   40.725   7.7467  ?   ?   174.998   17.317 0.000000 17.31697 
1 1 1   13    4   17 o  505.599   9.2262  332.842   12.083  353.900   24.359  325.970   13.916  517.417   18.175  499.880   10.747 17.53659 21.11480 
1 1 1   13    4   18 o  448.343   9.2144  261.817   10.701  259.800   21.040  262.520   12.429  442.931   18.339  448.506   10.698 -5.574585 21.23100 
1 1 1   13    4   19 o  382.139   9.2697  190.293   9.1756  208.000   18.366  184.403   10.592  396.240   17.894  375.745   10.883 20.49481 20.94366 
1 1 1   13    4   20 o  355.439   9.5576  164.776   8.7997  172.600   17.191  161.998   10.243  359.908   18.503  351.962   11.236 7.945984 21.64714 
1 1 1   13    4   21 o   71.311   21.670   6.9111   4.3567   3.5790   9.5725   7.7816   4.8928   74.723   30.737   75.481   22.971 -0.7575989 38.37234 
1 1 1   13    4   22 o  138.129   18.873   25.931   6.5761   21.720   10.887   28.350   8.2514  121.334   33.527  142.985   23.063 -21.65143 40.69339 
1 1 1   13    4   23 o  132.926   13.608   23.536   4.6194   22.916   6.7408   24.086   6.3429  128.794   20.923  132.810   18.977 -4.015640 28.24761 
1 1 1   13    4   24 o   94.364   18.349   12.330   4.3235   14.786   6.2016   10.007   6.0306  101.802   23.923   84.222   25.473 17.57944 34.94548 
1 1 1   13    4   25 o   70.255   25.457   6.0622   5.9663   5.8110   7.8250   6.4110   9.2212   73.860   28.636   78.486   30.895 -4.625481 42.12481 
1 1 1   13    4   26 o  130.693   18.228   23.471   6.0028   24.812   7.2746   20.610   10.627  132.839   21.905  115.842   33.509 16.99695 40.03383 
1 1 1   13    4   27 o   52.984   20.852   2.5046   4.1996  -0.6022   6.0114   5.4662   5.8693   52.524   23.039   67.690   25.129 -15.16605 34.09152 
1 1 1   13    4   28 o  132.199   15.140   23.696   5.0910   25.195   7.3076   22.283   7.0966  133.294   21.927  124.768   22.799 8.526787 31.63197 
1 1 1   13    4   29 o   54.732   21.979   2.4581   4.7587  -5.7282   6.7840   10.388   6.6770   46.966   22.035   84.378   27.011 -37.41226 34.85865 
1 1 1   13    4   30 o  112.083   23.601   18.388   6.6354   19.980   12.340   17.740   7.8700  110.284   36.814  107.858   27.943 2.425888 46.21841 
1 1 1   13    4   31 o  194.852   15.254   51.638   7.6375   44.850   14.785   54.109   8.9198  165.267   35.589  197.966   17.577 -32.69984 39.69279 
1 1 1   13    4   32 o   89.885   29.135   12.548   7.7503   10.690   11.726   13.990   10.328   87.447   34.706   93.884   33.559 -6.437698 48.27762 
1 1 1   13    4   33 o  165.256   15.458   37.603   6.5401   43.040   9.4317   32.568   9.0768  172.269   21.612  147.292   24.663 24.97768 32.79211 
1 1 1   13    4   34 o  109.055   29.843   19.585   8.6754   26.160   12.316   13.110   12.223  119.986   36.428   90.189   35.548 29.79683 50.89825 
1 1 1   13    4   35 o  138.459   19.190   27.692   6.6975   27.710   9.7208   27.675   9.2408  129.755   29.579  131.140   28.052 -1.385559 40.76585 
1 1 1   13    4   36 o  134.993   19.638   26.632   6.6655   21.497   9.4599   31.695   9.3933  111.112   31.450  141.159   26.667 -30.04752 41.23366 
1 1 1   13    4   37 o  104.943   24.790   17.537   6.6316   22.827   9.5419   12.595   9.2233  113.693   31.375   85.554   31.552 28.13922 44.49640 
1 1 1   13    4   38 o   40.890   19.719  -7.2400   6.2437  -7.4953   8.7157  -6.9708   8.9489   49.487   23.717   50.748   24.244 -1.260685 33.91556 
1 1 1   13    4   39 o   75.577   26.786   9.5417   6.5665   9.6857   9.2349   9.3946   9.3387   76.265   30.622   75.685   30.650 0.5801468 43.32573 
1 1 1   13    5    0 o  555.781   9.0227  400.905   12.989  419.500   28.280  395.933   14.623  566.405   19.275  552.159   10.224 14.24634 21.81892 
1 1 1   13    5    1 o  184.352   18.096   44.807   8.5300   39.450   12.622   49.310   11.573  170.275   29.697  192.328   23.733 -22.05313 38.01519 
1 1 1   13    5    2 o  375.660   19.983  185.200   19.375  185.200   19.375   0.0000   0.0000  375.660   19.983  ?   ?  0.000000 19.98287 
1 1 1   13    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5    7 o  446.897   19.841  261.800   22.968  261.800   22.968   0.0000   0.0000  446.897   19.841  ?   ?  0.000000 19.84066 
1 1 1   13    5    8 o  397.318   12.481  205.490   12.845   0.0000   0.0000  205.490   12.845  ?   ?   397.318   12.481 0.000000 12.48129 
1 1 1   13    5    9 o  356.350   12.705  165.382   11.727   0.0000   0.0000  165.382   11.727  ?   ?   356.350   12.705 0.000000 12.70502 
1 1 1   13    5   10 f  347.839   8.5132  157.125   7.6704  153.887   10.190  161.359   11.652  343.864   11.440  351.901   12.783 -8.036591 17.15452 
1 1 1   13    5   11 o  448.427   10.058  261.497   11.683  278.700   20.103  252.724   14.357  461.265   16.825  440.336   12.587 20.92923 21.01248 
1 1 1   13    5   12 o  201.897   12.313   53.337   6.4089   46.760   9.9940   57.930   8.3523  187.119   20.980  209.843   15.475 -22.72447 26.07031 
1 1 1   13    5   13 o  210.612   10.244   57.735   5.5888   63.430   10.795   55.649   6.5326  218.589   19.262  206.191   12.287 12.39769 22.84674 
1 1 1   13    5   14 o  232.539   9.5400   70.363   5.7464   70.030   11.593   70.471   6.6165  229.457   19.695  232.542   10.984 -3.084686 22.55107 
1 1 1   13    5   15 o  146.206   11.780   28.076   4.4235   15.270   9.3036   31.816   5.0282  104.891   31.620  155.553   12.587 -50.66158 34.03366 
1 1 1   13    5   16 o  313.775   14.021  129.027   11.396   0.0000   0.0000  129.027   11.396  ?   ?   313.775   14.021 0.000000 14.02071 
1 1 1   13    5   17 o  306.046   9.2000  121.974   7.2934  125.200   14.590  120.899   8.4210  307.043   18.430  304.407   10.680 2.635864 21.30051 
1 1 1   13    5   18 o   89.783   17.602   11.012   3.9472   10.380   8.4904   11.187   4.4583   89.288   30.534   90.082   19.659 -0.7944870 36.31482 
1 1 1   13    5   19 o  137.134   13.366   24.902   4.6876   24.400   9.6528   25.057   5.3623  130.890   29.211  137.090   15.365 -6.200104 33.00602 
1 1 1   13    5   20 o  392.078   9.3613  200.486   9.5073  207.400   18.855  198.129   11.009  394.861   18.434  389.280   10.918 5.581299 21.42491 
1 1 1   13    5   21 o  310.359   12.910  126.549   10.379  127.000   15.707  126.200   13.827  307.388   19.832  307.692   17.420 -0.3045044 26.39661 
1 1 1   13    5   22 o  256.192   10.784   85.939   7.1565   66.300   14.002   92.883   8.3261  218.628   25.186  265.971   12.085 -47.34344 27.93554 
1 1 1   13    5   23 o  226.588   11.282   67.374   6.6216   51.130   13.453   72.567   7.6068  189.439   28.282  234.472   12.570 -45.03290 30.94924 
1 1 1   13    5   24 o  191.359   12.477   48.463   6.1507   42.470   12.032   50.584   7.1563  171.923   27.981  194.883   14.276 -22.95975 31.41229 
1 1 1   13    5   25 o   74.906   26.099   7.3787   6.2157   3.2650   8.0613   13.410   9.7611   68.400   28.180   96.477   32.740 -28.07745 43.19743 
1 1 1   13    5   26 o   59.629   21.713   4.2143   4.3482   8.0034   6.3781   0.9242   5.9433   76.921   26.459   55.685   23.650 21.23566 35.48770 
1 1 1   13    5   27 o  195.308   11.887   50.602   5.9850   51.662   8.7733   49.679   8.1854  194.666   17.589  191.346   16.682 3.319519 24.24143 
1 1 1   13    5   28 o  187.974   12.286   47.029   5.9491   47.001   8.6763   47.054   8.1728  184.920   18.356  185.679   17.188 -0.7590179 25.14673 
1 1 1   13    5   29 o  190.793   12.658   48.607   6.2203   49.817   9.1054   47.548   8.5175  189.839   18.762  185.951   17.905 3.888123 25.93447 
1 1 1   13    5   30 o  382.857   10.019  193.296   9.9358  180.232   14.097  206.191   14.006  365.775   14.879  392.306   13.783 -26.53110 20.28161 
1 1 1   13    5   31 o  174.496   16.342   41.816   7.3006   37.960   13.246   43.498   8.7495  152.356   34.381  175.921   19.530 -23.56581 39.54116 
1 1 1   13    5   32 o  105.934   24.543   16.952   6.6027   8.2750   12.105   20.627   7.8779   83.079   34.407  115.645   26.819 -32.56655 43.62479 
1 1 1   13    5   33 o   62.313   24.219   4.5180   5.6080   1.5636   8.4054   6.8881   7.5285   63.047   27.459   72.596   28.104 -9.548889 39.29148 
1 1 1   13    5   34 f  161.706   24.722   39.716   10.026   45.730   14.727   34.520   13.689  160.735   36.236  137.008   37.485 23.72659 52.13609 
1 1 1   13    5   35 o   65.052   25.498   5.2776   6.2565   9.3886   9.3497   1.9440   8.4194   79.359   31.151   62.728   27.396 16.63127 41.48388 
1 1 1   13    5   36 o  151.013   18.718   32.983   7.1650   38.687   10.732   28.396   9.6242  154.761   27.792  130.671   29.172 24.08984 40.29147 
1 1 1   13    5   37 o  138.521   20.122   28.458   7.0088   35.668   10.303   22.247   9.5624  147.193   28.046  111.516   31.639 35.67777 42.28054 
1 1 1   13    5   38 o  210.121   14.718   61.806   7.9603   62.152   11.163   61.448   11.355  202.299   21.639  200.313   22.260 1.985550 31.04379 
1 1 1   13    5   39 f  150.842   19.427   34.125   7.4141   42.643   10.616   26.015   10.359  160.134   26.521  116.069   32.931 44.06523 42.28270 
1 1 1   13    6    0 o  568.743   10.778  420.277   15.878  433.400   29.160  414.746   18.930  575.459   19.562  564.592   12.944 10.86743 23.45703 
1 1 1   13    6    1 f  278.828   15.079  101.614   10.850   87.890   15.822  113.800   14.909  257.398   24.007  294.217   19.676 -36.81931 31.03975 
1 1 1   13    6    2 o  411.245   13.622  220.176   14.511  246.200   21.608  198.800   19.583  433.760   19.232  389.740   19.398 44.02008 27.31579 
1 1 1   13    6    3 o  316.885   14.232  130.804   11.682  128.200   17.067  133.100   16.024  311.922   21.250  318.270   19.531 -6.347351 28.86244 
1 1 1   13    6    4 o  479.803   13.591  299.766   16.891  297.600   24.274  301.800   23.520  476.671   19.659  480.224   18.908 -3.552765 27.27646 
1 1 1   13    6    5 o  484.129   13.649  305.261   17.116  306.700   24.547  303.900   23.879  483.840   19.586  481.752   19.136 2.088593 27.38242 
1 1 1   13    6    6 o  519.096   13.691  351.041   18.409  372.000   26.987  332.800   25.177  532.753   19.556  503.984   19.285 28.76904 27.46558 
1 1 1   13    6    7 o  346.782   14.526  156.831   13.048  131.000   18.274  183.700   18.637  314.645   22.571  373.848   19.311 -59.20319 29.70494 
1 1 1   13    6    8 o  337.167   14.547  148.315   12.705  148.000   18.435  148.600   17.534  334.753   21.371  335.762   20.255 -1.008179 29.44499 
1 1 1   13    6    9 f  304.919   13.208  121.196   10.432   0.0000   0.0000  121.196   10.432  ?   ?   304.919   13.208 0.000000 13.20795 
1 1 1   13    6   10 o  303.537   10.251  119.826   8.0599  113.100   12.707  124.354   10.426  293.407   16.789  308.823   13.033 -15.41653 21.25367 
1 1 1   13    6   11 o  432.359   9.6841  243.081   10.846  266.100   19.485  232.748   13.055  450.591   16.694  422.632   11.925 27.95837 20.51592 
1 1 1   13    6   12 f  327.163   10.417  139.326   8.8283  138.000   14.868  140.048   10.972  323.580   17.807  327.566   12.931 -3.986725 22.00664 
1 1 1   13    6   13 o  146.520   11.838   28.179   4.4545   31.230   9.5029   27.320   5.0429  151.062   25.172  143.928   13.691 7.134293 28.65429 
1 1 1   13    6   14 o  114.728   13.758   17.462   4.0071   20.420   9.2920   16.786   4.4413  120.382   29.927  112.043   15.737 8.339714 33.81237 
1 1 1   13    6   15 o  421.570   9.0485  231.283   9.8809  213.900   19.292  237.465   11.504  402.361   18.510  426.837   10.405 -24.47641 21.23394 
1 1 1   13    6   16 o   68.526   25.492   5.0406   6.0464   0.0000   0.0000   5.0406   6.0464  ?   ?    68.526   25.492 0.000000 25.49203 
1 1 1   13    6   17 o  142.645   12.523   26.829   4.5805   22.970   10.090   27.831   5.1407  126.759   30.989  145.020   13.854 -18.26156 33.94506 
1 1 1   13    6   18 o  254.108   9.7067   84.195   6.3891   84.110   12.893   84.223   7.3558  250.518   20.036  253.870   11.186 -3.351715 22.94708 
1 1 1   13    6   19 o  208.451   10.771   56.927   5.7962   63.760   11.672   54.690   6.6778  217.313   20.996  203.846   12.710 13.46767 24.54354 
1 1 1   13    6   20 o  229.882   12.705   69.563   7.5361   66.480   13.006   71.122   9.2466  220.687   23.093  231.548   15.506 -10.86116 27.81611 
1 1 1   13    6   21 o   90.173   24.217   11.470   5.7763  -1.5680   9.9289   18.140   7.1017   66.482   29.368  113.238   24.890 -46.75580 38.49665 
1 1 1   13    6   22 o   87.660   21.359   10.792   4.8055   1.4940   10.032   13.560   5.4744   71.623   30.580   98.207   22.059 -26.58392 37.70557 
1 1 1   13    6   23 o  223.046   11.599   65.542   6.6785   49.340   13.452   70.842   7.6937  185.319   28.971  231.462   12.883 -46.14218 31.70638 
1 1 1   13    6   24 o   54.164   23.223   0.3479   5.8303   8.2040   10.086  -3.5942   7.1449   84.343   32.564   52.277   23.839 32.06599 40.35692 
1 1 1   13    6   25 o   60.725   25.737   1.3360   7.0151   0.0000   0.0000   1.3360   7.0151  ?   ?    60.725   25.737 0.000000 25.73679 
1 1 1   13    6   26 o   91.859   21.888   12.089   5.1341   21.630   9.7939   8.4731   6.0288  119.045   31.334   77.973   25.719 41.07219 40.53703 
1 1 1   13    6   27 o   54.658   21.330   2.8495   4.3635  -4.7950   6.7642   8.2982   5.7107   48.354   22.460   76.806   25.016 -28.45256 33.61913 
1 1 1   13    6   28 o   79.228   21.927   9.0454   4.6525   13.505   6.9290   5.3840   6.2784   95.099   26.916   68.005   25.830 27.09373 37.30486 
1 1 1   13    6   29 o  252.155   11.065   84.094   7.2271   83.374   10.583   84.723   9.8930  247.400   16.611  250.308   15.332 -2.907700 22.60535 
1 1 1   13    6   30 o  108.089   19.931   16.660   5.3747   9.7019   7.8065   22.930   7.4108   82.221   29.199  125.093   23.739 -42.87154 37.63157 
1 1 1   13    6   31 o  191.126   19.789   51.503   9.6553   60.170   14.615   44.790   12.862  197.693   29.439  169.280   30.452 28.41231 42.35489 
1 1 1   13    6   32 o  243.724   14.398   80.768   9.0491   82.290   16.831   80.149   10.732  230.619   28.803  240.232   17.364 -9.612274 33.63195 
1 1 1   13    6   33 o  131.611   19.346   24.872   6.3984   14.643   9.1855   34.513   8.9178   94.035   31.761  152.229   23.362 -58.19370 39.42754 
1 1 1   13    6   34 o   69.878   29.315   4.9528   8.9525 -18.1500   12.926   26.250   12.411   54.151   26.604  118.908   36.657 -64.75639 45.29401 
1 1 1   13    6   35 o   67.615   25.586   6.2963   6.1459   4.2422   8.9241   8.1495   8.4764   67.842   28.900   75.396   29.639 -7.553734 41.39694 
1 1 1   13    6   36 o   62.394   25.104   4.5292   6.2205   19.677   9.0229  -9.1915   8.5874  105.973   30.941   47.883   23.100 58.08987 38.61320 
1 1 1   13    6   37 o  145.121   19.667   31.132   7.2024   35.835   10.495   26.946   9.9018  146.349   28.712  123.716   30.970 22.63342 42.23162 
1 1 1   13    6   38 o   59.117   24.886   3.3851   6.4876   5.4901   9.2689   1.3634   9.0837   68.484   29.320   61.270   27.510 7.213703 40.20513 
1 1 1   13    6   39 o   88.053   28.042   13.885   7.2037   7.2496   10.369   20.074   10.015   71.542   30.827   99.900   33.157 -28.35861 45.27400 
1 1 1   13    7    0 f  406.060   20.114  216.100   21.156  216.100   21.156   0.0000   0.0000  406.060   20.114  ?   ?  0.000000 20.11373 
1 1 1   13    7    1 o  267.129   8.9625   92.640   6.2016  106.100   15.924   90.233   6.7332  283.406   21.861  263.570   9.8622 19.83603 23.98221 
1 1 1   13    7    2 o  533.516   13.765  370.750   19.023  381.700   27.569  360.800   26.281  539.731   19.719  524.865   19.331 14.86609 27.61387 
1 1 1   13    7    3 o  388.756   13.998  196.910   14.096  201.200   20.553  193.100   19.369  391.163   20.355  383.407   19.568 7.755890 28.23541 
1 1 1   13    7    4 o  204.085   18.337   54.938   9.5904   49.820   13.704   59.850   13.426  191.793   28.446  211.524   24.987 -19.73097 37.86193 
1 1 1   13    7    5 o  715.481   14.668  667.639   27.184  686.400   39.344  650.500   37.604  722.830   21.013  703.855   20.625 18.97455 29.44395 
1 1 1   13    7    6 o  195.842   18.847   50.716   9.4429   29.880   13.339   71.650   13.370  146.007   35.592  232.193   22.512 -86.18628 42.11398 
1 1 1   13    7    7 o  218.393   18.068   62.898   10.130   60.410   14.469   65.290   14.185  211.681   27.004  220.704   25.269 -9.023117 36.98250 
1 1 1   13    7    8 o  241.529   17.092   76.752   10.624   97.520   15.584   58.720   14.522  270.984   22.403  208.317   27.591 62.66777 35.54046 
1 1 1   13    7    9 o  139.901   17.607   26.052   6.2393   26.052   6.2393   0.0000   0.0000  139.901   17.607  ?   ?  0.000000 17.60727 
1 1 1   13    7   10 o  125.834   11.033   20.770   3.5598   23.940   7.3361   19.794   4.0712  132.913   22.083  122.504   13.030 10.40897 25.64078 
1 1 1   13    7   11 o  154.291   10.647   31.139   4.2292   14.590   8.7609   36.167   4.8292  103.011   30.601  166.242   11.281 -63.23054 32.61466 
1 1 1   13    7   12 o  123.835   14.207   20.315   4.4747   23.220   8.6862   19.266   5.2208  129.399   26.797  119.895   17.312 9.504433 31.90262 
1 1 1   13    7   13 o  258.321   12.278   87.125   8.2158   85.760   12.884   88.060   10.665  253.962   19.741  258.504   16.007 -4.542084 25.41484 
1 1 1   13    7   14 o  257.758   10.415   86.588   6.9536   89.620   13.508   85.495   8.1108  259.253   20.276  255.822   12.240 3.431137 23.68404 
1 1 1   13    7   15 o  329.068   10.800  141.265   9.2059   0.0000   0.0000  141.265   9.2059  ?   ?   329.068   10.800 0.000000 10.80021 
1 1 1   13    7   16 o   51.872   19.829   2.5203   3.7147 -15.6000   9.5805   5.7264   4.0300   49.151   23.874   65.974   20.970 -16.82327 31.77648 
1 1 1   13    7   17 o  123.965   14.496   20.460   4.5670   19.680   10.064   20.662   5.1250  117.078   32.187  124.137   16.335 -7.059143 36.09480 
1 1 1   13    7   18 o  326.903   9.6377  139.376   8.1610  136.000   15.996  140.564   9.4888  318.988   19.453  327.902   11.172 -8.913422 22.43237 
1 1 1   13    7   19 o   60.571   22.680   3.8642   4.8016  -4.2080   8.9467   7.1299   5.6906   59.235   26.881   74.192   24.999 -14.95728 36.70903 
1 1 1   13    7   20 o  256.679   13.599   86.939   9.0094   81.220   13.873   91.110   11.848  244.361   22.158  261.166   17.617 -16.80544 28.30729 
1 1 1   13    7   21 o   57.958   21.290   3.7486   4.1933   11.540   9.6305   1.9259   4.6581   92.860   32.480   53.610   21.669 39.24980 39.04455 
1 1 1   13    7   22 o  162.639   13.830   35.174   5.7709   50.790   12.633   31.056   6.4874  189.871   26.399  151.807   16.778 38.06378 31.28008 
1 1 1   13    7   23 o  235.524   14.090   73.717   8.5563   66.590   14.083   77.886   10.773  217.688   25.456  240.535   17.407 -22.84734 30.83881 
1 1 1   13    7   24 o  100.915   24.905   14.727   6.4705   12.560   10.745   15.960   8.1047   95.128   34.206  103.899   29.006 -8.770836 44.84884 
1 1 1   13    7   25 o  122.311   26.944   21.953   8.3061   0.0000   0.0000   21.953   8.3061  ?   ?   122.311   26.944 0.000000 26.94450 
1 1 1   13    7   26 o  178.204   13.394   42.431   6.1374   46.740   12.622   41.096   7.0235  178.364   28.263  174.365   15.720 3.999344 32.34013 
1 1 1   13    7   27 o   75.858   23.971   8.1665   5.2719   10.680   11.034   7.4230   6.0012   89.461   34.180   73.967   25.652 15.49429 42.73542 
1 1 1   13    7   28 o   79.173   25.151   9.0360   5.7978  -8.6930   9.8762   18.359   7.1618   55.122   26.084  111.341   25.395 -56.21894 36.40437 
1 1 1   13    7   29 o   48.434   21.064  -0.0942   4.9318  -7.2992   7.0442   6.8329   6.9070   45.838   21.789   73.033   27.231 -27.19531 34.87478 
1 1 1   13    7   30 o  215.165   13.941   62.461   7.7282   58.154   9.5132   70.820   13.253  204.794   18.120  221.411   23.465 -16.61639 29.64718 
1 1 1   13    7   31 o   67.587   25.815   5.6260   6.2928   5.4310   13.515   5.6799   7.1106   80.871   35.020   69.405   27.189 11.46582 44.33503 
1 1 1   13    7   32 o  123.785   22.163   22.577   6.8453   23.350   12.580   22.252   8.1588  113.969   37.130  119.483   26.998 -5.513977 45.90783 
1 1 1   13    7   33 o  108.505   23.170   17.815   6.3143   12.568   9.5213   21.934   8.4363   88.052   32.120  116.856   28.195 -28.80482 42.73943 
1 1 1   13    7   34 o  153.426   26.139   36.746   10.016   43.290   14.332   30.500   14.002  154.645   36.385  124.781   39.015 29.86404 53.34814 
1 1 1   13    7   35 o   88.439   26.106   12.636   6.3921   7.1792   9.6491   16.903   8.5331   74.370   30.753   99.043   30.373 -24.67324 43.22339 
1 1 1   13    7   36 o  254.714   12.916   88.713   8.4942   96.030   12.320   82.084   11.727  257.959   18.563  237.555   19.222 20.40370 26.72180 
1 1 1   13    7   37 o   46.596   21.700  -3.3061   6.3815  -9.3554   9.2155   2.2672   8.8455   49.195   23.781   62.669   27.700 -13.47432 36.50775 
1 1 1   13    7   38 o  100.326   26.189   16.993   6.8786   20.182   10.135   14.270   9.3658  101.246   33.344   87.053   31.842 14.19244 46.10571 
1 1 1   13    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    8    0 o  167.465   11.001   36.618   4.7455   17.120   13.792   39.236   5.0541  115.249   38.919  173.333   11.319 -58.08401 40.53134 
1 1 1   13    8    1 o  348.012   10.543  157.421   9.5039  182.400   19.382  149.514   10.905  372.316   20.172  338.924   12.421 33.39224 23.68980 
1 1 1   13    8    2 o  535.596   9.1183  372.539   12.650  358.300   27.569  376.337   14.238  522.443   20.372  538.133   10.214 -15.68951 22.78903 
1 1 1   13    8    3 o  217.543   8.9366   61.456   5.0358   70.250   14.698   60.287   5.3602  229.199   25.171  215.419   9.6061 13.77992 26.94215 
1 1 1   13    8    4 o  466.340   14.031  283.558   16.949  296.800   24.551  271.500   23.428  475.487   19.934  454.784   19.888 20.70316 28.15779 
1 1 1   13    8    5 o  215.313   18.540   61.206   10.240   67.840   14.888   55.250   14.106  224.788   26.052  202.101   27.671 22.68732 38.00522 
1 1 1   13    8    6 o  326.057   15.197  138.865   12.835  142.300   18.385  135.600   17.927  327.929   21.768  320.087   21.750 7.841675 30.77184 
1 1 1   13    8    7 o  130.816   36.663   24.020   12.922   24.020   12.922   0.0000   0.0000  130.816   36.663  ?   ?  0.000000 36.66274 
1 1 1   13    8    8 o  349.294   8.9370  158.535   8.0859  163.384   11.761  154.189   11.135  353.981   12.827  343.935   12.499 10.04633 17.90935 
1 1 1   13    8    9 o  256.094   9.5477   85.280   6.3336   79.305   9.4395   90.172   8.5417  245.824   14.895  262.959   12.540 -17.13495 19.47071 
1 1 1   13    8   10 o  366.202   9.0444  174.350   8.5793  181.938   12.658  167.903   11.668  373.307   13.091  358.733   12.557 14.57422 18.13927 
1 1 1   13    8   11 o  478.353   8.9408  297.546   11.078  294.100   22.085  298.705   12.806  472.689   18.038  478.966   10.322 -6.277313 20.78220 
1 1 1   13    8   12 o  230.265   9.7353   69.022   5.8067   79.030   12.104   66.030   6.6179  243.865   19.319  224.723   11.406 19.14206 22.43528 
1 1 1   13    8   13 o  144.270   14.503   27.549   5.3464   32.050   10.209   25.848   6.2757  152.172   26.884  138.921   17.853 13.25117 32.27222 
1 1 1   13    8   14 o  150.365   15.540   30.023   5.9654   45.340   10.624   22.970   7.2092  182.856   22.935  129.521   22.292 53.33514 31.98346 
1 1 1   13    8   15 o  213.550   20.484   61.210   11.192   0.0000   0.0000   61.210   11.192  ?   ?   213.550   20.484 0.000000 20.48385 
1 1 1   13    8   16 o  338.977   9.4397  149.752   8.2886  149.200   17.158  149.920   9.4664  334.240   19.908  338.845   10.785 -4.604675 22.64168 
1 1 1   13    8   17 o  200.232   11.176   52.569   5.7733   54.050   12.116   52.134   6.5667  198.801   24.015  199.020   12.806 -0.2188873 27.21628 
1 1 1   13    8   18 o  178.825   15.746   42.540   7.2192   34.690   11.901   47.110   9.0805  155.732   30.595  187.171   18.992 -31.43883 36.01036 
1 1 1   13    8   19 o   46.663   20.083  -0.1368   4.3901  -3.0000   9.1533   0.7186   5.0031   61.694   27.663   51.890   21.849 9.803734 35.25127 
1 1 1   13    8   20 o  116.337   16.486   18.296   4.8291   23.900   10.543   16.808   5.4324  127.589   31.967  110.457   19.710 17.13179 37.55505 
1 1 1   13    8   21 o   57.151   21.491   3.4320   4.3202  -6.4600   10.021   5.6902   4.7880   59.684   27.587   66.793   22.927 -7.108814 35.87037 
1 1 1   13    8   22 o   65.950   25.654   4.2579   6.2964   8.4300   11.181   2.3202   7.6195   87.264   34.118   65.362   27.203 21.90171 43.63531 
1 1 1   13    8   23 o   98.763   24.718   14.061   6.3084   13.400   10.989   14.386   7.7043   97.609   34.646   99.115   28.492 -1.505798 44.85653 
1 1 1   13    8   24 o   90.861   22.639   11.834   5.3088   1.4580   11.270   14.793   6.0183   73.796   31.967  101.458   23.381 -27.66203 39.60498 
1 1 1   13    8   25 o   86.164   27.335   10.720   6.8502   4.1260   11.321   14.528   8.6040   77.879   32.834   98.513   30.547 -20.63419 44.84589 
1 1 1   13    8   26 f  227.084   11.769   68.379   6.8991   85.790   14.516   63.298   7.8414  246.748   22.976  217.413   13.998 29.33476 26.90408 
1 1 1   13    8   27 o   91.006   23.062   12.079   5.4433 -12.8000   11.294   19.606   6.2124   55.848   26.828  117.345   21.219 -61.49716 34.20504 
1 1 1   13    8   28 o   95.620   22.311   13.314   5.4251   9.8650   10.961   14.432   6.2434   86.741   33.819   98.702   24.528 -11.96075 41.77716 
1 1 1   13    8   29 o  102.938   21.322   15.334   5.4984  -3.0890   11.678   20.581   6.2324   66.524   30.390  119.935   20.816 -53.41161 36.83586 
1 1 1   13    8   30 o   78.457   27.994   8.7957   7.1836   9.0860   11.963   8.6320   8.9836   85.005   34.593   80.135   30.788 4.869957 46.30966 
1 1 1   13    8   31 o  158.432   15.313   34.480   6.2060   36.865   8.8939   32.217   8.6638  159.155   22.176  147.741   23.420 11.41389 32.25339 
1 1 1   13    8   32 o   83.439   25.768   10.762   6.1296   9.3770   9.3090   11.822   8.1443   80.670   31.245   86.384   29.888 -5.713585 43.23829 
1 1 1   13    8   33 o   83.231   27.680   10.985   6.9783  -0.7391   12.254   16.613   8.4894   68.035   31.100   99.553   30.249 -31.51784 43.38420 
1 1 1   13    8   34 o  135.334   29.100   30.133   9.8979   23.670   13.931   36.720   14.065  108.572   38.959  138.540   38.035 -29.96797 54.44686 
1 1 1   13    8   35 o   57.897   24.576   2.4891   6.4122   10.438   9.3116  -4.6799   8.8429   80.625   31.243   53.601   25.151 27.02427 40.10906 
1 1 1   13    8   36 o  128.599   21.671   25.129   6.9623   36.341   10.023   14.677   9.6781  149.603   26.853   89.897   32.446 59.70615 42.11661 
1 1 1   13    8   37 f  221.162   14.422   68.336   8.2167   73.768   11.827   63.268   11.424  221.304   20.879  203.282   22.048 18.02162 30.36536 
1 1 1   13    8   38 o  104.745   26.724   18.821   7.2744   30.782   10.492   7.7476   10.095  128.748   31.676   72.446   30.796 56.30209 44.17944 
1 1 1   13    9    0 f  146.172   12.523   28.026   4.6956   13.730   14.109   29.807   4.9795  108.052   39.148  150.724   12.878 -42.67175 41.21152 
1 1 1   13    9    1 o  166.625   15.272   36.553   6.5180   48.460   14.041   33.282   7.3590  188.412   29.757  158.352   18.276 30.05930 34.92160 
1 1 1   13    9    2 o  413.000   10.837  221.848   11.593  242.600   22.705  214.529   13.483  429.586   20.404  405.787   12.828 23.79865 24.10135 
1 1 1   13    9    3 o  256.092   9.3128   85.211   6.1777   79.590   16.581   86.118   6.6570  243.368   26.743  257.389   9.9848 -14.02135 28.54648 
1 1 1   13    9    4 o  411.592   8.8462  220.058   9.4313  249.400   23.008  214.132   10.340  435.409   20.400  405.871   9.8351 29.53821 22.64740 
1 1 1   13    9    5 o  578.982   11.097  436.260   16.643  467.200   31.614  424.398   19.576  595.719   20.487  570.473   13.247 25.24579 24.39733 
1 1 1   13    9    6 f  449.520   10.795  262.959   12.569  301.200   24.971  249.981   14.547  478.280   20.156  437.859   12.826 40.42032 23.89061 
1 1 1   13    9    7 o  255.701   9.5312   85.011   6.3129   83.677   9.2675   86.166   8.6229  252.695   14.216  256.678   13.012 -3.983200 19.27188 
1 1 1   13    9    8 o  136.460   12.661   24.497   4.4245   24.941   7.1201   24.218   5.6472  135.950   20.887  134.945   16.499 1.005142 26.61763 
1 1 1   13    9    9 o  225.715   10.219   66.317   5.9745   69.259   9.2081   64.178   7.8516  229.395   15.589  221.178   13.773 8.216965 20.80170 
1 1 1   13    9   10 o  266.142   15.050   93.089   10.333   93.089   10.333   0.0000   0.0000  266.142   15.050  ?   ?  0.000000 15.05027 
1 1 1   13    9   11 o  301.720   9.6451  118.506   7.5381  123.140   11.331  114.827   10.096  306.639   14.266  296.355   13.152 10.28445 19.40351 
1 1 1   13    9   12 o  384.945   9.1741  192.867   9.1477  180.800   17.989  197.075   10.624  369.340   18.866  388.815   10.548 -19.47522 21.61499 
1 1 1   13    9   13 f  556.047   9.4864  402.703   13.664  400.400   27.186  403.481   15.805  549.777   19.090  556.058   10.973 -6.281494 22.01891 
1 1 1   13    9   14 o  523.598   13.846  359.612   18.779   0.0000   0.0000  359.612   18.779  ?   ?   523.598   13.846 0.000000 13.84585 
1 1 1   13    9   15 f  308.615   13.816  125.019   11.044  105.100   15.550  145.300   15.690  279.520   21.645  330.536   18.398 -51.01627 28.40759 
1 1 1   13    9   16 o   90.764   18.974   11.341   4.3173   8.5360   10.154   11.960   4.7699   87.230   32.917   92.956   20.372 -5.726379 38.71106 
1 1 1   13    9   17 o  110.884   20.745   16.950   5.7395   21.380   10.875   15.240   6.7572  121.127   33.523  103.887   25.337 17.23969 42.02121 
1 1 1   13    9   18 o  106.165   17.530   15.341   4.6525   7.2930   10.871   17.146   5.1477   85.513   33.582  112.129   18.359 -26.61551 38.27265 
1 1 1   13    9   19 o  343.014   9.7056  153.699   8.6235  156.300   17.674  152.886   9.8793  340.609   20.121  341.634   11.164 -1.024872 23.01071 
1 1 1   13    9   20 o  117.212   16.629   18.610   4.9072   13.070   10.300   20.237   5.5814   97.355   33.615  121.800   18.253 -24.44529 38.25134 
1 1 1   13    9   21 o  115.565   17.901   18.266   5.1855   19.290   10.862   17.964   5.9014  113.595   34.148  113.586   20.825 0.8979797E-02 39.99728 
1 1 1   13    9   22 o  161.170   17.243   35.174   7.0869   46.370   12.482   29.848   8.6090  179.723   27.703  145.578   23.641 34.14516 36.41917 
1 1 1   13    9   23 o  133.248   16.602   24.136   5.6059   18.990   11.616   25.698   6.4007  111.302   35.626  136.786   18.543 -25.48392 40.16258 
1 1 1   13    9   24 f   59.776   23.829   3.1056   5.5503   0.0000   0.0000   3.1056   5.5503  ?   ?    59.776   23.829 0.000000 23.82924 
1 1 1   13    9   25 o   38.510   18.223  -5.1004   4.8194  -9.1080   10.582  -4.0515   5.4134   57.396   27.111   43.262   20.094 14.13468 33.74577 
1 1 1   13    9   26 o  151.118   15.455   30.995   5.9644   23.260   12.573   33.241   6.7753  119.318   36.915  155.788   17.069 -36.47016 40.66992 
1 1 1   13    9   27 o  165.328   14.921   37.013   6.3209   31.870   13.029   38.595   7.2285  139.725   35.829  167.870   16.851 -28.14583 39.59385 
1 1 1   13    9   28 o  153.864   15.590   32.308   6.1278   26.560   12.471   34.138   7.0358  126.122   36.247  157.144   17.586 -31.02211 40.28846 
1 1 1   13    9   29 o   82.854   28.528   10.136   7.4159   7.1430   10.807   12.800   10.195   79.971   32.750   91.568   33.262 -11.59743 46.67907 
1 1 1   13    9   30 o  134.131   18.895   25.459   6.3828   22.630   13.241   26.315   7.2851  112.972   38.133  134.736   21.604 -21.76328 43.82740 
1 1 1   13    9   31 o  146.635   17.295   30.135   6.4426   38.110   13.616   27.834   7.3131  148.288   35.845  138.430   21.059 9.856979 41.57300 
1 1 1   13    9   32 o  210.368   16.026   61.414   8.6669   53.200   14.544   65.938   10.792  178.566   32.647  214.518   19.641 -35.95238 38.09980 
1 1 1   13    9   33 o  170.773   19.345   42.103   8.4065   6.3440   14.764   59.257   10.226   80.263   35.616  202.404   19.756 -122.1408 40.72845 
1 1 1   13    9   34 o  134.906   24.933   28.452   8.3918   17.654   10.246   50.450   14.625   98.442   33.543  168.010   34.752 -69.56765 48.29993 
1 1 1   13    9   35 o   67.631   26.175   6.3800   6.5294   15.483   9.2348  -2.7197   9.2331   92.840   31.843   56.896   26.362 35.94384 41.33888 
1 1 1   13    9   36 o   53.167   23.627   0.3339   6.5203   6.6062   9.2712  -5.8045   9.1718   71.123   29.834   52.611   24.966 18.51180 38.90207 
1 1 1   13    9   37 f  118.417   23.740   22.435   7.0285   25.536   10.209   19.641   9.6903  116.013   32.615  100.874   32.566 15.13934 46.08975 
1 1 1   13    9   38 f   55.170   24.316   1.6119   6.7696   3.4668   9.6380  -0.1943   9.5105   64.171   28.608   58.758   27.057 5.413029 39.37617 
1 1 1   13   10    0 f  577.076   9.6484  432.895   14.422  423.300   31.097  435.525   16.279  566.686   21.185  578.542   10.863 -11.85577 23.80780 
1 1 1   13   10    1 o  211.119   10.476   57.978   5.7290   70.830   15.849   56.047   6.1444  229.031   27.251  207.167   11.495 21.86400 29.57613 
1 1 1   13   10    2 o  278.811   9.8044  101.070   7.0808   86.960   17.632  103.784   7.7317  254.026   27.219  282.440   10.568 -28.41425 29.19896 
1 1 1   13   10    3 o  356.382   11.478  165.389   10.595  183.400   21.545  159.643   12.169  371.811   22.476  349.788   13.430 22.02310 26.18272 
1 1 1   13   10    4 o  734.090   10.182  701.016   19.361  715.100   41.564  697.114   21.879  735.658   21.812  731.585   11.546 4.072876 24.67899 
1 1 1   13   10    5 o  333.299   11.444  144.705   9.8798  145.100   20.138  144.579   11.338  329.865   23.727  332.849   13.150 -2.984039 27.12748 
1 1 1   13   10    6 o  187.703   11.576   46.083   5.6011   40.672   8.4644   50.298   7.4706  174.791   19.001  195.532   14.861 -20.74146 24.12240 
1 1 1   13   10    7 o  541.452   9.5368  381.362   13.376  381.844   19.158  380.904   18.683  540.548   13.682  539.996   13.357 0.5524292 19.12101 
1 1 1   13   10    8 o  170.469   12.258   38.114   5.3766   37.429   8.2165   38.628   7.1103  167.380   19.305  170.815   16.266 -3.435699 25.24430 
1 1 1   13   10    9 o  207.894   11.272   56.519   6.0476   54.049   9.3522   58.294   7.9282  201.758   18.087  210.460   14.634 -8.702713 23.26595 
1 1 1   13   10   10 o  175.403   12.303   40.381   5.5543   48.038   8.8857   35.470   7.1158  189.969   18.283  163.300   17.075 26.66878 25.01659 
1 1 1   13   10   11 o  233.565   10.843   71.155   6.5600   62.397   9.8762   78.070   8.7756  216.761   17.745  243.703   13.960 -26.94267 22.57802 
1 1 1   13   10   12 o  307.821   11.255  123.716   8.9742  146.500   16.462  114.082   10.705  331.897   19.230  294.940   14.012 36.95746 23.79353 
1 1 1   13   10   13 o  234.161   10.687   71.566   6.4821   57.020   13.899   75.610   7.3279  203.312   27.063  240.489   11.763 -37.17715 29.50945 
1 1 1   13   10   14 o  422.403   23.010  240.500   25.082   0.0000   0.0000  240.500   25.082  ?   ?   422.403   23.010 0.000000 23.01048 
1 1 1   13   10   15 o  142.261   18.076   27.254   6.5106   18.180   11.569   31.460   7.8762  112.765   35.496  152.220   20.496 -39.45464 40.98851 
1 1 1   13   10   16 o  145.849   17.782   28.630   6.5787   17.940   10.921   34.720   8.2422  111.653   34.380  159.943   20.356 -48.28951 39.95415 
1 1 1   13   10   17 o   51.849   20.676   1.9915   4.1801   2.0520   10.343   1.9797   4.5699   73.993   31.299   53.516   21.522 20.47743 37.98490 
1 1 1   13   10   18 o  201.513   11.682   53.421   6.0715   41.250   12.435   57.231   6.9571  170.045   29.288  208.232   12.963 -38.18677 32.02810 
1 1 1   13   10   19 o  162.073   13.293   34.832   5.5315   33.990   12.095   35.054   6.2201  152.398   31.673  162.089   14.984 -9.690277 35.03909 
1 1 1   13   10   20 o   46.843   19.886   0.3739   4.1988 -12.0700   10.304   2.8516   4.5979   54.385   25.991   56.106   21.895 -1.720566 33.98394 
1 1 1   13   10   21 o  118.965   21.361   19.796   6.3407   17.540   10.568   21.065   7.9260  108.345   33.896  120.856   26.083 -12.51061 42.76996 
1 1 1   13   10   22 o   76.327   22.937   8.1910   4.9011   15.890   10.575   6.0847   5.5311  103.315   34.061   69.282   24.581 34.03313 42.00419 
1 1 1   13   10   23 o  137.865   15.829   25.763   5.5502   14.700   11.841   28.878   6.2831  100.307   35.925  145.585   16.980 -45.27824 39.73572 
1 1 1   13   10   24 o   88.859   30.409   11.364   8.4215   0.0000   0.0000   11.364   8.4215  ?   ?    88.859   30.409 0.000000 30.40923 
1 1 1   13   10   25 f   52.723   22.062   1.3224   5.0505   19.320   11.189  -3.2827   5.6599  110.282   34.931   45.665   20.971 64.61723 40.74207 
1 1 1   13   10   26 o  204.062   13.088   55.708   6.8818   52.650   14.173   56.652   7.8721  186.159   30.444  204.811   14.941 -18.65218 33.91329 
1 1 1   13   10   27 o  127.310   19.143   22.769   6.1175   6.7760   12.620   27.680   6.9941   83.135   34.837  140.222   19.807 -57.08738 40.07466 
1 1 1   13   10   28 o  168.328   20.396   40.082   8.7117   48.510   13.779   34.470   11.244  176.131   31.351  148.817   30.201 27.31432 43.53165 
1 1 1   13   10   29 o   72.429   24.993   7.4329   5.6934  -2.9460   11.500   10.803   6.5529   65.535   30.020   84.429   26.730 -18.89407 40.19615 
1 1 1   13   10   30 o  109.651   21.526   17.656   5.8958   22.310   11.985   16.171   6.7718  112.607   36.203  102.483   25.588 10.12351 44.33296 
1 1 1   13   10   31 o  135.509   19.592   26.445   6.6772   25.870   14.216   26.608   7.5634  116.139   39.510  133.790   22.632 -17.65109 45.53309 
1 1 1   13   10   32 o  122.772   21.821   22.480   6.6852   19.470   13.599   23.439   7.6769  101.403   38.130  123.015   24.946 -21.61281 45.56487 
1 1 1   13   10   33 o  128.570   25.123   25.885   8.0667   0.0000   0.0000   25.885   8.0667  ?   ?   128.570   25.123 0.000000 25.12259 
1 1 1   13   10   34 f  148.519   22.830   33.679   8.5017   15.990   15.216   41.707   10.251   91.737   38.333  163.074   25.070 -71.33656 45.80289 
1 1 1   13   10   35 o   56.840   23.923   2.7424   5.9941  -3.2691   7.7547   11.666   9.4478   51.522   23.970   82.361   31.590 -30.83869 39.65442 
1 1 1   13   10   36 o   67.730   26.270   6.7448   6.5873   2.6338   9.6454   10.338   9.0180   64.328   28.652   78.197   30.623 -13.86880 41.93700 
1 1 1   13   10   37 o  111.933   25.046   20.755   7.0805   26.392   10.554   16.141   9.5479  115.900   33.356   90.707   32.283 25.19344 46.42065 
1 1 1   13   10   38 f   49.546   23.422  -3.9915   7.9276   3.8482   10.060 -16.8400   12.878   64.670   28.999   51.383   25.485 13.28681 38.60588 
1 1 1   13   11    0 o  430.193   9.4512  240.650   10.532  257.900   24.509  236.744   11.664  441.705   21.421  426.475   10.558 15.22922 23.88196 
1 1 1   13   11    1 o  107.854   16.413   15.583   4.4407   43.980   14.994   12.853   4.6492  177.150   33.911   97.192   19.148 79.95833 38.94364 
1 1 1   13   11    2 o   69.993   20.046   6.6174   3.8201   8.8650   14.678   6.4541   3.9564   98.887   38.962   69.388   20.553 29.49894 44.05065 
1 1 1   13   11    3 o  384.206   9.3016  191.958   9.2570  214.900   22.618  187.342   10.146  402.342   21.783  379.381   10.324 22.96100 24.10605 
1 1 1   13   11    4 o  243.412   13.339   77.619   8.3785   82.330   18.405   76.388   9.4100  245.494   29.537  241.072   15.146 4.421967 33.19371 
1 1 1   13   11    5 o  361.620   9.8391  170.182   9.2164  161.853   13.603  177.250   12.531  351.560   14.938  368.362   13.133 -16.80203 19.88973 
1 1 1   13   11    6 o  220.974   11.388   63.832   6.4964   37.459   9.3427   88.521   9.0394  166.601   22.202  259.876   13.475 -93.27461 25.97114 
1 1 1   13   11    7 o  305.638   10.179  121.663   8.0584  107.846   11.708  134.101   11.108  286.207   15.854  320.232   13.392 -34.02505 20.75321 
1 1 1   13   11    8 o  320.268   10.022  133.604   8.3140  131.015   12.361  135.742   11.235  316.014   15.101  322.086   13.467 -6.071289 20.23312 
1 1 1   13   11    9 o  360.815   9.8919  169.597   9.2452  170.409   13.635  168.905   12.578  360.447   14.604  359.176   13.519 1.271271 19.90092 
1 1 1   13   11   10 o  100.791   19.316   13.889   4.8593   13.783   8.3193   13.943   5.9867   99.568   29.875  100.118   23.490 -0.5496063 38.00389 
1 1 1   13   11   11 o  114.947   17.199   17.809   4.9637   14.505   8.5716   19.476   6.0884  101.758   30.278  119.445   20.411 -17.68595 36.51557 
1 1 1   13   11   12 o   64.233   24.284   4.2039   5.5330   0.0000   0.0000   4.2039   5.5330  ?   ?    64.233   24.284 0.000000 24.28429 
1 1 1   13   11   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   11   14 o   99.767   24.342   13.991   6.2348   11.660   11.015   15.090   7.5630   95.904   34.614  103.103   27.719 -7.198532 44.34547 
1 1 1   13   11   15 o  197.349   14.138   51.515   7.1795   44.200   12.956   54.757   8.6250  176.760   29.323  202.723   16.570 -25.96242 33.68130 
1 1 1   13   11   16 o  177.707   16.112   42.138   7.3359   48.440   12.146   38.520   9.2042  186.626   25.818  167.859   21.675 18.76747 33.70987 
1 1 1   13   11   17 o  206.825   12.354   56.375   6.5880   53.690   12.812   57.340   7.6813  196.278   25.827  207.975   14.346 -11.69707 29.54372 
1 1 1   13   11   18 o  188.274   12.214   46.775   5.9246   33.500   12.475   50.641   6.7323  150.583   32.903  195.580   13.369 -44.99693 35.51487 
1 1 1   13   11   19 o  144.149   14.663   27.793   5.3988   34.810   11.943   25.991   6.0525  154.090   30.997  138.514   17.242 15.57623 35.46955 
1 1 1   13   11   20 o  226.960   14.223   68.529   8.3195   56.480   14.229   74.787   10.255  198.222   28.535  235.874   16.896 -37.65205 33.16226 
1 1 1   13   11   21 o  116.455   18.041   18.658   5.2662   22.890   11.861   17.619   5.8773  121.503   35.475  111.980   21.034 9.522804 41.24187 
1 1 1   13   11   22 f   71.029   23.136   6.9142   4.8844   10.870   11.499   6.0433   5.3953   91.491   34.907   68.659   24.286 22.83206 42.52452 
1 1 1   13   11   23 o   79.176   24.376   8.9583   5.4900   0.0000   0.0000   8.9583   5.4900  ?   ?    79.176   24.376 0.000000 24.37578 
1 1 1   13   11   24 o   38.993   18.907  -9.0382   5.9369 -15.4900   10.176  -5.7089   7.3099   49.946   24.338   49.261   23.036 0.6854401 33.51107 
1 1 1   13   11   25 o   95.241   22.141   13.165   5.3587   22.440   10.885   10.198   6.1564  118.333   33.820   83.410   25.835 34.92306 42.55900 
1 1 1   13   11   26 o  125.683   18.260   22.046   5.7708   23.430   12.929   21.701   6.4489  117.963   37.568  123.347   20.932 -5.383980 43.00573 
1 1 1   13   11   27 o  121.915   26.100   22.364   7.9934   6.4560   13.078   31.850   10.099   82.789   35.118  144.747   27.948 -61.95773 44.88120 
1 1 1   13   11   28 o  146.962   16.656   29.883   6.2286   38.290   13.317   27.528   7.0469  152.196   34.566  138.992   20.161 13.20424 40.01656 
1 1 1   13   11   29 o  143.209   17.425   28.694   6.3308   26.630   14.105   29.214   7.0845  120.400   39.321  143.152   19.622 -22.75255 43.94467 
1 1 1   13   11   30 o   82.419   25.885   10.476   6.1560   21.660   14.200   7.8879   6.8313  107.657   39.233   74.245   27.188 33.41180 47.73296 
1 1 1   13   11   31 o  104.021   24.602   16.791   6.5250   2.8560   13.444   21.085   7.4629   74.660   33.498  116.261   25.484 -41.60065 42.09032 
1 1 1   13   11   32 o  201.681   14.429   56.109   7.4882   38.690   14.685   62.230   8.7051  141.053   38.921  210.938   16.052 -69.88580 42.10146 
1 1 1   13   11   33 o  151.593   27.323   37.157   10.334   0.0000   0.0000   37.157   10.334  ?   ?   151.593   27.323 0.000000 27.32272 
1 1 1   13   11   34 o   59.900   25.019   3.4810   6.4788   7.2160   12.927   2.2281   7.4870   76.793   33.732   59.726   25.964 17.06711 42.56728 
1 1 1   13   11   35 o   58.162   25.202   2.2806   7.0078   0.8358   14.946   2.6878   7.9340   70.819   33.057   61.131   26.650 9.687508 42.46166 
1 1 1   13   11   36 o   68.825   26.739   7.2554   6.8334   2.0950   13.730   8.9544   7.8783   69.297   32.122   73.829   28.703 -4.531425 43.07705 
1 1 1   13   11   37 f   71.890   28.564   8.6073   7.9509   15.780   14.888   5.7455   9.4042   84.639   36.704   67.315   29.181 17.32405 46.89006 
1 1 1   13   12    0 f   93.139   29.563   11.646   8.0115   0.0000   0.0000   11.646   8.0115  ?   ?    93.139   29.563 0.000000 29.56327 
1 1 1   13   12    1 o  143.760   21.423   27.956   7.7340   19.130   17.057   30.240   8.6773  121.220   43.149  149.116   23.221 -27.89539 49.00045 
1 1 1   13   12    2 o  144.047   13.556   27.366   4.9984   43.190   16.608   25.789   5.2415  173.225   38.053  139.571   14.720 33.65428 40.80072 
1 1 1   13   12    3 o  258.020   13.304   87.265   8.8615  110.700   19.664   81.294   9.9266  285.767   26.882  248.477   15.500 37.28909 31.03024 
1 1 1   13   12    4 o  376.983   10.173  185.105   9.9337  175.922   14.478  193.272   13.654  366.223   15.262  384.324   13.716 -18.10107 20.51995 
1 1 1   13   12    5 o  238.349   11.555   74.133   7.1343   71.461   10.558   76.378   9.6780  232.215   17.686  240.707   15.606 -8.491806 23.58665 
1 1 1   13   12    6 o  256.859   11.309   86.091   7.5243   82.852   11.139   88.808   10.204  250.174   17.295  259.667   15.238 -9.492599 23.05021 
1 1 1   13   12    7 o  212.031   12.576   58.988   6.8761   46.653   10.245   69.098   9.2754  186.002   21.671  228.738   15.751 -42.73526 26.79016 
1 1 1   13   12    8 o  100.342   22.535   13.962   5.7139   22.410   11.006   10.846   6.6853  124.949   33.374   88.893   26.806 36.05568 42.80664 
1 1 1   13   12    9 o  377.592   11.124  186.180   10.880  181.500   18.762  188.551   13.355  369.124   19.694  379.224   13.596 -10.09912 23.93094 
1 1 1   13   12   10 o  117.706   21.467   19.045   6.3040   9.2530   10.825   24.070   7.7546   90.418   34.016  132.021   23.539 -41.60328 41.36628 
1 1 1   13   12   11 o   86.376   37.954  -0.8094   16.377  -0.8094   16.377   0.0000   0.0000   86.376   37.954  ?   ?  0.000000 37.95364 
1 1 1   13   12   12 o  194.700   13.224   49.975   6.6295   46.854   10.150   52.297   8.7547  185.838   21.482  198.000   17.242 -12.16212 27.54576 
1 1 1   13   12   13 o  261.364   11.422   89.400   7.7331   68.015   11.504  107.027   10.445  224.792   19.965  285.186   14.139 -60.39371 24.46466 
1 1 1   13   12   14 o  218.642   11.280   62.739   6.3669   60.230   13.661   63.436   7.1963  208.542   25.842  219.468   12.713 -10.92632 28.80006 
1 1 1   13   12   15 o  114.679   21.938   18.286   6.2794   13.090   11.891   20.295   7.3946   99.714   35.969  120.050   24.606 -20.33545 43.57980 
1 1 1   13   12   16 o   83.826   24.826   9.8266   5.7727   10.130   10.811   9.7056   6.8273   91.128   34.050   84.221   27.349 6.906357 43.67388 
1 1 1   13   12   17 o  211.784   12.711   59.240   6.9407   41.830   13.929   64.990   8.0054  168.464   33.101  221.398   14.032 -52.93370 35.95229 
1 1 1   13   12   18 o   51.843   21.044   1.7477   4.4130   5.6080   10.103   0.8375   4.9058   79.266   31.957   51.471   21.652 27.79482 38.60143 
1 1 1   13   12   19 f  118.027   22.508   19.644   6.6302   7.8940   11.378   25.685   8.1587   86.195   34.194  134.563   24.301 -48.36839 41.94979 
1 1 1   13   12   20 o  154.348   15.112   32.026   5.9644   3.0390   12.767   40.119   6.7458   80.120   34.359  172.858   15.221 -92.73785 37.57988 
1 1 1   13   12   21 o  113.261   19.129   17.856   5.4121   0.2983   12.409   21.980   6.0142   74.731   32.931  125.968   19.025 -51.23624 38.03155 
1 1 1   13   12   22 o   33.789   16.484  -8.1456   4.7053 -19.0000   11.410  -5.9213   5.1650   51.538   25.254   39.143   18.621 12.39526 31.37701 
1 1 1   13   12   23 o  153.631   23.035   33.691   8.8844   0.0000   0.0000   33.691   8.8844  ?   ?   153.631   23.035 0.000000 23.03543 
1 1 1   13   12   24 o   50.422   21.752   0.2438   5.1748   0.4623   10.973   0.1813   5.8682   70.069   30.917   53.190   23.054 16.87945 38.56656 
1 1 1   13   12   25 o  143.959   16.539   28.476   6.0553   22.450   13.264   30.062   6.8058  115.284   38.154  147.068   18.258 -31.78399 42.29807 
1 1 1   13   12   26 o   78.289   28.817   8.4090   7.6880   16.820   12.261   2.9590   9.8694  101.824   36.547   70.612   30.244 31.21230 47.43779 
1 1 1   13   12   27 o   44.770   20.272  -1.9419   5.0546  -1.0960   10.335  -2.2078   5.7948   65.000   29.250   47.659   21.630 17.34054 36.37937 
1 1 1   13   12   28 f   75.728   24.148   8.4778   5.3405  -6.2400   11.045   12.969   6.1012   60.160   28.190   92.194   24.943 -32.03369 37.64146 
1 1 1   13   12   29 o   77.719   24.883   9.1183   5.6661   10.490   11.718   8.6997   6.4732   85.475   34.432   76.545   26.636 8.929550 43.53212 
1 1 1   13   12   30 o  177.169   15.378   43.456   6.9875   22.860   14.070   50.199   8.0505  108.744   39.137  189.544   16.563 -80.79985 42.49803 
1 1 1   13   12   31 f  112.783   22.941   19.408   6.4738   24.520   13.056   17.741   7.4547  112.011   37.866  104.450   27.262 7.561050 46.65894 
1 1 1   13   12   32 o   64.127   25.740   4.9629   6.5234  -3.0650   14.074   7.1594   7.3619   67.588   31.719   71.092   27.716 -3.503815 42.12230 
1 1 1   13   12   33 o   74.003   30.745   7.5565   9.7090   0.0000   0.0000   7.5565   9.7090  ?   ?    74.003   30.745 0.000000 30.74509 
1 1 1   13   12   34 o   52.105   23.466  -0.4567   6.6670 -13.6100   13.535   3.7568   7.6608   56.688   27.720   62.699   26.745 -6.011707 38.51826 
1 1 1   13   12   35 o  105.888   26.851   19.093   7.3754   18.460   15.669   19.273   8.3593   90.976   38.506  103.308   29.673 -12.33225 48.61236 
1 1 1   13   12   36 o   66.792   26.749   6.6480   7.0274   4.0010   13.870   7.5621   8.1509   70.454   32.526   69.933   28.518 0.5211029 43.25747 
1 1 1   13   12   37 o   52.635   25.214  -5.5518   9.8251  -4.9060   14.557  -6.0920   13.315   61.939   29.929   59.127   28.583 2.811989 41.38535 
1 1 1   13   13    0 o  228.742   11.785   68.499   6.9589   75.940   18.607   67.289   7.5035  233.643   31.552  226.480   12.843 7.162186 34.06575 
1 1 1   13   13    1 o  259.385   14.479   88.488   9.6892  116.700   19.933   79.760   11.087  293.048   26.547  245.326   17.564 47.72191 31.83143 
1 1 1   13   13    2 o  104.074   41.312   10.400   16.617   10.400   16.617   0.0000   0.0000  104.074   41.312  ?   ?  0.000000 41.31203 
1 1 1   13   13    3 o  138.631   45.591   27.970   18.950   27.970   18.950   0.0000   0.0000  138.631   45.591  ?   ?  0.000000 45.59109 
1 1 1   13   13    4 o   75.269   27.387   6.5134   6.9157   5.9100   11.752   6.8330   8.5533   85.886   34.523   80.090   30.214 5.795708 45.87727 
1 1 1   13   13    5 o  237.798   13.822   74.379   8.4770   73.976   11.784   74.810   12.203  235.383   19.504  236.492   20.111 -1.109222 28.01526 
1 1 1   13   13    6 o   57.930   24.172   1.2209   6.0388   4.1357   8.9342  -1.2310   8.1941   74.639   30.066   61.476   26.934 13.16207 40.36543 
1 1 1   13   13    7 o  188.162   19.583   47.527   9.4047   14.010   17.495   61.150   11.153  110.708   42.846  213.356   20.431 -102.6477 47.46840 
1 1 1   13   13    8 o  191.905   24.590   50.453   11.942   56.590   16.576   43.830   17.220  199.203   33.299  171.717   39.533 27.48669 51.68837 
1 1 1   13   13    9 o   77.983   31.240   4.9755   9.5875   23.810   14.260 -10.5600   12.951  127.282   39.303   65.627   30.680 61.65522 49.85969 
1 1 1   13   13   10 o  169.808   14.777   38.248   6.4351   24.212   9.7861   48.941   8.5414  130.030   29.705  191.420   17.417 -61.39050 34.43463 
1 1 1   13   13   11 o  230.043   12.087   69.531   7.1772   60.535   11.013   76.172   9.4627  211.820   20.322  239.796   15.314 -27.97614 25.44587 
1 1 1   13   13   12 f   60.233   23.181   3.4707   5.0985   6.0082   8.9424   2.2486   6.2060   78.273   30.538   60.821   24.852 17.45145 39.37265 
1 1 1   13   13   13 o   58.321   23.023   2.8265   5.1347   8.2134   9.4180   0.5480   6.1251   84.421   31.734   56.340   23.970 28.08051 39.76967 
1 1 1   13   13   14 f   85.530   23.662   10.281   5.4191   7.1248   9.1970   11.960   6.7071   81.167   31.159   91.917   26.631 -10.75005 40.98887 
1 1 1   13   13   15 o   76.555   22.363   8.1406   4.7125   2.0370   10.979   9.5192   5.2176   75.290   32.063   82.369   23.372 -7.079033 39.67721 
1 1 1   13   13   16 o  178.833   15.872   42.813   7.2761   52.190   13.434   38.921   8.6554  191.622   27.884  168.755   20.202 22.86737 34.43316 
1 1 1   13   13   17 o  200.139   17.060   53.908   8.7596   48.900   14.001   57.130   11.229  183.271   30.569  203.830   21.596 -20.55875 37.42810 
1 1 1   13   13   18 o   91.435   27.739   12.049   7.1432   18.030   12.384   9.0670   8.7443  109.596   36.880   84.090   30.765 25.50664 48.02732 
1 1 1   13   13   19 o   85.390   26.299   10.436   6.3896   1.7600   11.529   14.282   7.6764   75.029   32.417   98.455   28.480 -23.42596 43.15082 
1 1 1   13   13   20 o  146.312   15.771   28.987   5.8827   11.240   12.985   33.570   6.5987   93.986   36.763  157.282   16.440 -63.29565 40.27132 
1 1 1   13   13   21 o  195.150   13.260   50.849   6.6629   35.470   14.178   55.209   7.5485  148.274   37.026  202.813   14.463 -54.53877 39.75032 
1 1 1   13   13   22 o   48.759   21.931  -1.9128   5.8020   0.0000   0.0000  -1.9128   5.8020  ?   ?    48.759   21.931 0.000000 21.93130 
1 1 1   13   13   23 o  168.112   18.375   39.110   7.8712   47.130   14.483   35.749   9.3768  173.062   33.519  157.408   23.735 15.65388 41.07187 
1 1 1   13   13   24 o  128.001   18.701   22.951   6.0175   28.300   13.743   21.682   6.6932  128.544   38.359  122.727   21.856 5.816437 44.14832 
1 1 1   13   13   25 o   75.738   28.157   7.6610   7.3746   15.170   12.655   3.8000   9.0747   98.204   36.811   70.199   29.485 28.00511 47.16391 
1 1 1   13   13   26 o   56.646   23.279   2.4386   5.4837   4.5810   11.190   1.7616   6.2908   75.731   32.314   57.720   24.413 18.01043 40.49894 
1 1 1   13   13   27 f  108.918   21.870   17.439   5.9559   3.2230   12.459   21.650   6.7809   75.442   33.128  121.337   22.400 -45.89474 39.98988 
1 1 1   13   13   28 o   67.607   25.079   6.1029   5.8437   6.8060   12.656   5.9124   6.5880   80.289   34.315   68.353   26.338 11.93654 43.25717 
1 1 1   13   13   29 o   71.074   25.386   7.3044   5.9091  -9.9240   13.055   11.744   6.6268   60.790   29.106   86.120   26.825 -25.32987 39.58244 
1 1 1   13   13   30 o   59.631   24.418   3.4837   6.0069  -1.3080   13.633   4.6380   6.6915   69.479   32.136   64.177   25.961 5.302101 41.31185 
1 1 1   13   13   31 o   59.898   24.677   3.5826   6.1816   13.510   14.164   1.2468   6.8705   88.325   36.952   56.643   24.743 31.68180 44.47069 
1 1 1   13   13   32 o   76.485   28.411   9.3690   7.5050   0.0000   0.0000   9.3690   7.5050  ?   ?    76.485   28.411 0.000000 28.41102 
1 1 1   13   13   33 o   68.259   27.969   6.1800   7.8872   2.0810   13.467   8.3203   9.7309   70.261   32.296   74.757   30.896 -4.495499 44.69422 
1 1 1   13   13   34 o   54.460   24.077   1.0012   6.6873  -8.8560   13.396   4.2731   7.7178   59.241   28.646   63.312   26.921 -4.071365 39.31046 
1 1 1   13   13   35 o   69.893   27.011   7.8068   6.9450 -12.4700   13.228   15.523   8.1602   55.560   27.218   91.135   29.915 -35.57420 40.44400 
1 1 1   13   13   36 f  134.883   30.400   33.776   10.367   28.080   15.151   38.790   14.216  102.428   39.809  128.353   39.176 -25.92570 55.85255 
1 1 1   13   14    0 o  402.185   9.8994  210.892   10.313  214.100   24.134  210.175   11.407  398.554   23.481  401.196   10.976 -2.642303 25.92010 
1 1 1   13   14    1 o  240.488   11.055   75.531   6.8863   86.820   18.499   73.714   7.4196  250.397   29.061  237.080   12.122 13.31711 31.48802 
1 1 1   13   14    2 o  222.020   13.431   64.863   7.6879   72.775   11.747   58.936   10.168  233.203   19.629  209.960   18.898 23.24226 27.24776 
1 1 1   13   14    3 o  228.197   17.964   69.363   10.533   0.0000   0.0000   69.363   10.533  ?   ?   228.197   17.964 0.000000 17.96425 
1 1 1   13   14    4 o  157.185   17.291   33.048   6.9236   31.781   10.842   33.920   8.9972  150.064   28.940  157.529   22.705 -7.465347 36.78374 
1 1 1   13   14    5 o  342.827   10.880  153.539   9.6619  156.193   14.243  151.277   13.150  344.070   15.981  338.992   14.976 5.077362 21.90148 
1 1 1   13   14    6 o  171.853   15.452   39.234   6.8050   29.301   10.399   46.673   8.9994  143.744   28.931  186.465   18.893 -42.72148 34.55331 
1 1 1   13   14    7 o  240.912   12.748   76.321   7.9268   71.150   11.858   80.498   10.658  230.009   20.105  246.082   16.821 -16.07236 26.21382 
1 1 1   13   14    8 o  322.035   10.912  135.597   9.1027  120.897   13.529  147.756   12.304  301.424   17.402  335.077   14.176 -33.65256 22.44522 
1 1 1   13   14    9 o  157.696   15.908   33.193   6.4092   18.299   9.7068   44.705   8.5341  112.470   31.866  182.438   18.306 -69.96840 36.74946 
1 1 1   13   14   10 o  195.501   13.570   50.511   6.8294   50.932   10.801   50.231   8.8149  193.268   21.966  193.586   17.778 -0.3176575 28.25862 
1 1 1   13   14   11 o  219.274   12.878   63.399   7.2824   59.584   11.034   66.343   9.6933  209.681   20.581  222.915   16.913 -13.23335 26.63930 
1 1 1   13   14   12 o  264.726   11.596   91.897   7.9513   86.451   12.288   95.820   10.429  253.583   18.842  268.798   15.039 -15.21487 24.10789 
1 1 1   13   14   13 o  154.234   15.788   31.860   6.2186   30.909   10.352   32.396   7.7784  146.890   28.234  154.067   19.960 -7.177078 34.57665 
1 1 1   13   14   14 o  127.621   19.295   22.328   6.1795   24.020   10.264   21.366   7.7393  127.600   31.293  122.575   25.217 5.025093 40.18863 
1 1 1   13   14   15 o  114.982   17.720   18.073   5.1082   6.8830   12.204   20.450   5.6246   86.308   35.009  122.243   18.328 -35.93497 39.51615 
1 1 1   13   14   16 o  109.848   23.088   17.126   6.3608   18.820   11.913   16.451   7.5229  111.739   36.112  106.264   27.212 5.475266 45.21710 
1 1 1   13   14   17 o   59.739   27.236  -4.1158   9.3201  -4.5710   11.375  -3.1860   16.257   65.860   30.051   80.277   36.353 -14.41703 47.16514 
1 1 1   13   14   18 f  123.830   26.548   22.390   8.2598   19.870   13.409   23.930   10.485  113.000   38.374  125.241   32.155 -12.24025 50.06485 
1 1 1   13   14   19 o  229.915   12.259   70.131   7.2742   63.300   15.981   71.917   8.1696  206.004   30.902  232.176   13.644 -26.17242 33.77967 
1 1 1   13   14   20 o  142.405   16.231   27.641   5.8802   16.700   12.306   30.878   6.6938  104.028   36.690  149.992   17.561 -45.96407 40.67643 
1 1 1   13   14   21 o  209.045   13.030   58.397   7.0206   65.240   15.033   56.488   7.9396  209.708   28.406  204.518   15.094 5.190720 32.16684 
1 1 1   13   14   22 o  266.540   16.876   96.964   11.591   0.0000   0.0000   96.964   11.591  ?   ?   266.540   16.876 0.000000 16.87553 
1 1 1   13   14   23 o  176.873   14.262   42.297   6.4786   29.370   13.487   46.174   7.3866  131.251   37.688  184.079   15.639 -52.82794 40.80405 
1 1 1   13   14   24 o   92.216   29.147   13.135   7.7938  -2.2420   13.172   21.420   9.6679   70.910   32.348  115.579   31.453 -44.66940 45.11821 
1 1 1   13   14   25 o   47.920   21.248  -0.8109   5.2455  -8.3780   11.670   1.1049   5.8721   60.028   28.390   54.696   23.375 5.332462 36.77510 
1 1 1   13   14   26 o   66.844   24.308   5.9725   5.4467   0.7292   11.956   7.3457   6.1185   70.873   31.709   72.305   25.832 -1.431969 40.89937 
1 1 1   13   14   27 o   90.274   23.887   12.432   5.6724   4.2080   11.352   15.168   6.5486   74.047   32.080   98.966   25.414 -24.91874 40.92624 
1 1 1   13   14   28 o  123.279   19.604   22.028   6.0505   24.280   12.659   21.361   6.8882  114.058   37.251  118.937   23.192 -4.878853 43.88026 
1 1 1   13   14   29 f   54.139   23.105   1.5887   5.7227 -10.3000   12.429   4.7870   6.4466   58.321   28.048   64.033   25.629 -5.712318 37.99408 
1 1 1   13   14   30 o   48.572   21.991  -1.3531   5.9455   7.5660   12.583  -3.9170   6.7461   78.088   33.802   47.531   22.194 30.55784 40.43746 
1 1 1   13   14   31 o   94.660   26.566   14.879   6.7799   15.470   13.906   14.695   7.7654   89.997   37.037   92.140   29.091 -2.143227 47.09555 
1 1 1   13   14   32 o   53.599   25.418  -5.5598   9.4770   0.0000   0.0000  -5.5598   9.4770  ?   ?    53.599   25.418 0.000000 25.41798 
1 1 1   13   14   33 o   90.531   26.853   14.079   6.7500   17.510   14.263   13.088   7.6625   90.386   37.384   85.708   29.008 4.677650 47.31821 
1 1 1   13   14   34 o  152.832   19.974   35.443   7.7180   18.880   16.626   39.992   8.7138   89.389   38.775  160.678   21.474 -71.28911 44.32393 
1 1 1   13   14   35 o  115.845   33.196   27.114   10.474   18.620   15.002   35.190   14.629   87.701   37.418  118.811   40.082 -31.11031 54.83295 
1 1 1   13   14   36 o   61.384   25.690   5.1071   6.8499   4.6360   13.812   5.2608   7.8883   68.404   31.879   63.059   27.024 5.344872 41.79241 
1 1 1   13   15    0 o   60.632   22.283   4.0630   4.5945  -4.2650   18.081   4.6379   4.7505   86.128   38.730   63.170   22.741 22.95859 44.91286 
1 1 1   13   15    1 o  156.212   18.270   32.834   7.2530   29.878   11.017   35.095   9.6360  144.423   30.410  159.494   24.073 -15.07103 38.78515 
1 1 1   13   15    2 o  166.268   17.629   37.062   7.4769   34.971   11.284   38.698   9.9829  157.225   28.767  167.774   23.625 -10.54846 37.22518 
1 1 1   13   15    3 o  134.650   20.465   24.757   6.9131   34.337   10.952   18.411   8.9133  155.980   28.142  113.187   29.940 42.79303 41.08951 
1 1 1   13   15    4 o  213.333   14.210   60.162   7.8077   40.752   11.463   76.962   10.664  170.779   26.794  240.306   17.247 -69.52672 31.86444 
1 1 1   13   15    5 o  231.059   13.268   70.375   7.9076   36.221   11.669   99.377   10.753  159.609   29.305  273.988   15.211 -114.3786 33.01736 
1 1 1   13   15    6 o  195.132   14.537   50.459   7.2950   40.646   11.167   57.765   9.6352  170.690   26.084  207.605   18.098 -36.91463 31.74813 
1 1 1   13   15    7 o  375.105   10.730  184.055   10.425  183.768   15.232  184.308   14.300  372.675   15.779  373.711   14.772 -1.036011 21.61445 
1 1 1   13   15    8 o  153.508   17.123   31.671   6.6927   21.385   10.335   39.100   8.7830  120.799   32.373  169.552   20.408 -48.75223 38.26859 
1 1 1   13   15    9 o   65.286   24.750   4.4536   5.7570  -1.0625   8.5879   8.9555   7.7584   62.625   27.502   83.226   29.150 -20.60048 40.07562 
1 1 1   13   15   10 o  110.632   22.511   17.146   6.2315   18.586   9.7149   16.139   8.1226  112.646   31.866  105.687   28.858 6.959221 42.99153 
1 1 1   13   15   11 o   79.010   25.163   8.5473   5.8003   9.8423   9.3425   7.7350   7.3989   87.876   31.854   78.820   28.380 9.056007 42.66243 
1 1 1   13   15   12 o  331.288   14.674  145.317   12.593   0.0000   0.0000  145.317   12.593  ?   ?   331.288   14.674 0.000000 14.67431 
1 1 1   13   15   13 o  379.177   10.677  188.522   10.487  176.327   15.425  199.004   14.301  363.708   16.373  387.730   14.239 -24.02222 21.69818 
1 1 1   13   15   14 o  231.203   12.814   70.742   7.6442   63.981   11.736   75.724   10.075  215.844   21.266  237.607   16.471 -21.76318 26.89872 
1 1 1   13   15   15 o   42.604   19.854  -4.4385   5.3551   12.369   9.3950 -12.5268   6.5175   93.559   32.116   38.455   18.892 55.10436 37.26085 
1 1 1   13   15   16 f  166.493   17.957   37.780   7.6215   24.190   13.587   44.019   9.2062  123.402   38.407  178.695   20.247 -55.29279 43.41666 
1 1 1   13   15   17 f  133.203   31.152   26.916   10.557   22.350   13.326   34.610   17.299  118.328   38.189  142.768   43.135 -24.43991 57.61057 
1 1 1   13   15   18 o   63.198   26.115   2.7230   6.9506   15.430   12.933  -2.4380   8.2421  101.832   37.391   57.821   26.061 44.01139 45.57704 
1 1 1   13   15   19 o  139.843   18.075   27.018   6.3943   11.520   14.302   30.890   7.1485   94.784   38.090  149.234   18.917 -54.44959 42.52864 
1 1 1   13   15   20 o   53.058   22.668   0.7469   5.5195  -3.7150   13.649   1.6192   6.0349   71.386   32.702   57.101   24.018 14.28456 40.57431 
1 1 1   13   15   21 o   76.012   29.172   7.2116   8.0601   0.0000   0.0000   7.2116   8.0601  ?   ?    76.012   29.172 0.000000 29.17235 
1 1 1   13   15   22 o  101.681   27.306   15.849   7.3439   16.030   12.745   15.759   8.9857  100.148   37.059   99.852   31.259 0.2957001 48.48163 
1 1 1   13   15   23 o   73.699   28.386   6.8309   7.6495  -2.7380   13.075   11.810   9.4320   69.912   32.020   88.500   32.017 -18.58828 45.28115 
1 1 1   13   15   24 o   80.830   25.084   9.7930   5.8004   17.070   12.510   7.8003   6.5466  100.922   36.818   74.483   26.708 26.43935 45.48539 
1 1 1   13   15   25 o   90.681   23.941   12.467   5.7063   7.4630   11.449   14.121   6.5821   80.221   33.362   95.554   25.931 -15.33331 42.25481 
1 1 1   13   15   26 o   65.527   24.806   5.4998   5.7780   2.5860   12.067   6.3665   6.5815   72.851   32.269   69.514   26.436 3.336975 41.71517 
1 1 1   13   15   27 o  193.741   14.454   51.540   7.2017   43.100   15.119   54.017   8.1905  152.726   38.290  196.959   16.198 -44.23247 41.57467 
1 1 1   13   15   28 o  101.920   23.552   16.065   6.0930   1.9940   12.418   20.526   6.9926   71.021   32.002  115.075   24.225 -44.05390 40.13671 
1 1 1   13   15   29 f   50.339   22.441  -0.3639   5.9311   3.2270   12.149  -1.4877   6.7961   71.255   31.916   51.412   23.369 19.84340 39.55666 
1 1 1   13   15   30 o   56.166   23.904   2.3100   6.0952  -2.2970   12.527   3.7389   6.9767   64.592   30.189   61.602   25.863 2.989872 39.75226 
1 1 1   13   15   31 o   46.839   22.291  -5.8307   7.4141   0.0000   0.0000  -5.8307   7.4141  ?   ?    46.839   22.291 0.000000 22.29051 
1 1 1   13   15   32 o   84.808   29.640   12.968   8.0195   14.420   14.095   12.274   9.7517   85.398   36.348   81.995   31.918 3.403481 48.37283 
1 1 1   13   15   33 o   40.977   19.822  -7.3473   6.4302 -25.3900   13.281  -1.8233   7.3489   48.414   24.295   51.245   23.664 -2.830334 33.91477 
1 1 1   13   15   34 o   46.440   22.314  -6.4959   7.8245   0.8709   14.735  -9.3890   9.2340   67.410   31.888   47.844   23.286 19.56622 39.48469 
1 1 1   13   15   35 o   65.920   27.710   6.5596   8.0251  -1.1610   13.966   10.365   9.8055   63.383   30.282   74.255   30.878 -10.87254 43.24818 
1 1 1   13   16    0 o  303.396   13.915  121.272   10.936  129.100   21.645  118.589   12.672  304.458   27.750  298.601   16.447 5.857330 32.25800 
1 1 1   13   16    1 o  130.361   22.323   23.542   7.2668   30.549   11.360   18.689   9.4544  145.116   31.152  113.358   31.210 31.75785 44.09615 
1 1 1   13   16    2 o  195.861   15.450   51.040   7.7748   42.872   11.634   57.632   10.451  174.923   26.507  206.510   19.780 -31.58696 33.07331 
1 1 1   13   16    3 o  214.838   14.418   61.160   7.9772   63.199   12.257   59.661   10.507  215.107   22.323  210.225   19.518 4.881592 29.65220 
1 1 1   13   16    4 o  220.447   14.036   64.320   7.9730   66.000   11.816   62.916   10.803  220.483   20.941  215.875   19.530 4.607361 28.63510 
1 1 1   13   16    5 o  289.539   11.961  110.021   8.9705  107.864   13.495  111.729   12.007  283.576   18.473  289.844   16.056 -6.267334 24.47495 
1 1 1   13   16    6 o  319.274   11.345  133.636   9.3821  124.864   13.694  141.395   12.880  305.700   17.366  326.841   15.213 -21.14069 23.08693 
1 1 1   13   16    7 o  188.176   15.233   47.180   7.3613   34.523   11.285   56.556   9.7124  154.976   29.181  204.835   18.505 -49.85852 34.55394 
1 1 1   13   16    8 o  269.190   11.943   95.188   8.3278   86.318   12.239  102.837   11.365  253.105   18.802  277.896   15.854 -24.79027 24.59329 
1 1 1   13   16    9 o   68.528   25.170   5.4761   5.8608   2.5577   8.5926   8.0149   8.0143   69.133   28.839   80.636   29.461 -11.50249 41.22675 
1 1 1   13   16   10 o  185.147   14.705   45.688   6.9943   32.352   10.488   56.368   9.3860  149.968   28.030  204.441   17.904 -54.47269 33.26065 
1 1 1   13   16   11 o  318.089   15.381  134.502   12.673   0.0000   0.0000  134.502   12.673  ?   ?   318.089   15.381 0.000000 15.38122 
1 1 1   13   16   12 o  108.560   23.072   16.740   6.2878   21.896   9.7559   13.076   8.2238  121.185   30.965   95.134   29.924 26.05091 43.06133 
1 1 1   13   16   13 o  139.565   18.843   26.732   6.6380   21.034   10.367   30.692   8.6417  117.789   32.778  147.619   23.379 -29.83053 40.26154 
1 1 1   13   16   14 o  323.153   11.427  137.545   9.5651  121.977   13.878  151.635   13.202  300.210   17.928  337.198   15.115 -36.98721 23.44901 
1 1 1   13   16   15 o  194.834   19.427   52.149   9.6734   56.145   11.595   43.000   17.545  200.156   22.769  160.918   41.739 39.23820 47.54531 
1 1 1   13   16   16 o   96.765   33.722   13.818   10.377   1.2320   13.481   32.120   16.257   78.156   34.386  137.625   41.868 -59.46931 54.17849 
1 1 1   13   16   17 o   74.593   26.703   7.3686   6.5414  -4.5080   12.719   11.640   7.6276   68.649   31.492   88.953   28.909 -20.30460 42.74905 
1 1 1   13   16   18 o   40.496   19.518  -8.3341   6.0973 -21.9300   11.958  -3.5573   7.0879   50.928   25.130   51.353   23.540 -0.4256592 34.43332 
1 1 1   13   16   19 o  160.992   17.078   35.642   7.0129   30.340   14.115   37.380   8.0809  133.334   38.633  163.537   19.458 -30.20280 43.25668 
1 1 1   13   16   20 o  106.843   33.755   18.520   10.454   0.0000   0.0000   18.520   10.454  ?   ?   106.843   33.755 0.000000 33.75483 
1 1 1   13   16   21 o  239.874   16.935   79.103   10.455   65.880   15.745   89.530   13.982  206.350   30.365  250.681   21.747 -44.33089 37.34967 
1 1 1   13   16   22 o  241.955   12.547   78.508   7.8368   69.490   16.294   81.222   8.9386  210.774   30.750  244.985   14.146 -34.21033 33.84806 
1 1 1   13   16   23 o  172.553   15.431   40.859   6.8243   49.470   14.451   38.387   7.7419  174.057   33.264  165.303   18.393 8.754089 38.01038 
1 1 1   13   16   24 o   50.611   22.031   0.2540   5.4051 -14.8300   11.379   4.6488   6.1423   52.961   25.792   64.043   25.213 -11.08213 36.06850 
1 1 1   13   16   25 o  135.829   18.641   26.320   6.3856   34.300   14.055   24.244   7.1681  136.333   38.245  127.717   22.489 8.615570 44.36713 
1 1 1   13   16   26 o   71.356   25.635   7.4099   6.0339   12.900   11.788   5.4606   7.0238   88.727   34.929   67.266   26.809 21.46124 44.03168 
1 1 1   13   16   27 o   41.222   19.636  -5.7395   5.7819   0.0986   12.888  -7.2105   6.4695   69.379   31.781   42.336   20.328 27.04244 37.72625 
1 1 1   13   16   28 o   85.436   26.422   11.950   6.4423   24.640   14.228   8.6768   7.2254  107.971   39.283   74.860   27.863 33.11061 48.16122 
1 1 1   13   16   29 o   76.238   26.610   9.4164   6.4626   10.660   12.836   8.9941   7.4797   81.496   34.687   75.153   28.275 6.342926 44.75123 
1 1 1   13   16   30 o  102.924   25.555   17.517   6.7816   2.7140   13.680   22.341   7.8086   70.774   32.538  115.672   26.615 -44.89875 42.03669 
1 1 1   13   16   31 o   68.862   29.296   6.1597   9.1481   0.0000   0.0000   6.1597   9.1481  ?   ?    68.862   29.296 0.000000 29.29588 
1 1 1   13   16   32 o   51.549   23.190   0.0311   6.4901 -15.6200   13.642   4.6097   7.3786   54.297   26.801   62.621   26.460 -8.324493 37.66197 
1 1 1   13   16   33 o   45.535   21.508  -3.9846   6.6587   6.0160   15.015  -6.4327   7.4291   72.369   33.562   45.197   21.723 27.17259 39.97860 
1 1 1   13   16   34 o   74.256   30.947   10.378   9.8810   2.0220   15.539   16.050   12.803   67.674   32.223   83.089   34.967 -15.41571 47.55030 
1 1 1   13   16   35 o   65.460   26.434   7.1932   6.9247 -18.6100   14.503   14.812   7.8810   51.932   25.961   85.271   29.407 -33.33937 39.22659 
1 1 1   13   17    0 o  194.404   16.094   50.535   8.0315   47.878   12.203   52.565   10.668  184.527   26.272  196.023   21.355 -11.49550 33.85643 
1 1 1   13   17    1 o  103.055   27.182   15.302   7.3604  -0.3407   11.056   27.752   9.8639   71.576   31.324  138.777   28.397 -67.20135 42.27940 
1 1 1   13   17    2 o  262.509   12.913   90.756   8.7808   83.273   12.706   97.597   12.149  247.918   19.954  269.860   17.473 -21.94241 26.52364 
1 1 1   13   17    3 o   94.115   26.590   12.669   6.7685   15.210   10.570   10.902   8.8121  102.952   34.059   89.842   31.089 13.11011 46.11461 
1 1 1   13   17    4 o   68.999   26.254   5.0830   6.4934   10.356   10.223   1.5160   8.4074   90.295   33.230   66.454   28.171 23.84097 43.56380 
1 1 1   13   17    5 o  446.982   10.568  261.798   12.236  248.478   17.660  274.094   16.968  432.400   15.767  455.107   14.394 -22.70755 21.34926 
1 1 1   13   17    6 o  333.926   11.465  146.454   9.9172  146.013   14.731  146.819   13.411  330.107   17.288  332.393   15.576 -2.286713 23.27040 
1 1 1   13   17    7 o  297.799   11.841  116.630   9.1339  105.984   13.302  126.130   12.565  280.343   18.420  307.487   15.829 -27.14395 24.28665 
1 1 1   13   17    8 o  218.906   13.953   63.669   7.8708   55.939   11.719   70.022   10.624  200.869   22.934  227.662   18.166 -26.79346 29.25698 
1 1 1   13   17    9 o  197.375   14.556   51.964   7.3893   49.374   10.987   54.102   9.9846  188.381   22.994  199.122   19.613 -10.74138 30.22188 
1 1 1   13   17   10 o  159.945   17.005   34.638   6.9371   31.336   10.717   37.018   9.1012  146.101   29.337  163.073   22.117 -16.97125 36.73964 
1 1 1   13   17   11 o  145.757   18.292   29.066   6.7541   40.091   10.708   21.783   8.7037  167.769   25.439  121.612   28.181 46.15731 37.96490 
1 1 1   13   17   12 o  272.589   12.134   98.121   8.5677   87.075   12.659  107.458   11.639  252.333   19.519  282.893   15.948 -30.56013 25.20542 
1 1 1   13   17   13 o  304.560   12.008  122.561   9.4729  109.066   14.039  133.839   12.835  282.350   19.312  316.068   15.677 -33.71750 24.87413 
1 1 1   13   17   14 o   93.431   31.074   12.876   8.7941  -0.3759   10.460   44.830   16.243   68.158   30.124  166.310   38.469 -98.15141 48.86030 
1 1 1   13   17   15 o   84.384   30.185   9.9035   8.3570   10.394   10.121   8.8520   14.815   87.677   32.909   91.240   37.949 -3.563789 50.23048 
1 1 1   13   17   16 o   78.886   25.627   8.9263   5.9942   11.928   9.6293   7.0272   7.6591   90.505   32.399   75.274   28.544 15.23038 43.17927 
1 1 1   13   17   17 o  156.078   15.753   33.225   6.2818   14.660   14.126   37.801   7.0134   99.086   38.459  166.167   16.513 -67.08136 41.85381 
1 1 1   13   17   18 o  107.927   29.769   18.220   8.5924   0.0000   0.0000   18.220   8.5924  ?   ?   107.927   29.769 0.000000 29.76886 
1 1 1   13   17   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   17   20 o  151.548   18.682   32.271   7.1785   33.610   14.462   31.833   8.2692  137.699   38.854  148.206   22.225 -10.50618 44.76156 
1 1 1   13   17   21 o   84.098   24.826   10.696   5.7804   15.720   13.165   9.4962   6.4338   97.873   37.349   79.757   26.581 18.11611 45.84177 
1 1 1   13   17   22 o  131.339   19.551   24.678   6.4484   6.0200   13.930   29.766   7.2748   81.488   35.420  144.115   20.029 -62.62757 40.69088 
1 1 1   13   17   23 o  198.712   13.920   53.775   7.1199   52.970   14.845   54.015   8.1139  178.502   33.333  197.637   15.986 -19.13507 36.96798 
1 1 1   13   17   24 o  133.870   19.190   25.779   6.4642   16.900   12.800   28.819   7.4893   97.545   36.923  140.114   21.306 -42.56975 42.62906 
1 1 1   13   17   25 o   52.589   22.735   0.9317   5.6773  -1.5490   12.558   1.5690   6.3650   67.378   31.051   56.295   24.204 11.08370 39.36995 
1 1 1   13   17   26 o   51.783   22.667   0.5176   5.7923   10.800   11.957  -2.6352   6.6210   83.252   34.312   49.090   22.594 34.16241 41.08307 
1 1 1   13   17   27 o   52.093   22.956   0.4331   6.0312   1.3750   12.989   0.1743   6.8098   69.818   31.954   54.142   24.098 15.67541 40.02208 
1 1 1   13   17   28 o   58.225   24.722   2.8600   6.4916  -0.7209   14.328   3.7849   7.2819   68.774   32.189   62.069   26.259 6.705200 41.54132 
1 1 1   13   17   29 o   72.968   27.037   8.6196   6.7881   9.0990   14.980   8.4958   7.6148   78.954   35.397   72.957   28.259 5.996368 45.29359 
1 1 1   13   17   30 o  104.490   31.847   20.965   9.3997   0.0000   0.0000   20.965   9.3997  ?   ?   104.490   31.847 0.000000 31.84722 
1 1 1   13   17   31 o   56.468   24.522   2.4327   6.6646   15.330   13.956  -1.3776   7.5855   84.528   36.077   52.353   24.129 32.17496 43.40251 
1 1 1   13   17   32 o   53.002   24.405  -0.8915   7.7355  -5.6750   13.692   1.3511   9.3751   60.241   29.089   59.828   27.292 0.4130936 39.88724 
1 1 1   13   17   33 o   38.851   19.518 -19.1853   8.6963 -17.3600   12.937 -20.6900   11.746   50.442   25.105   46.090   23.088 4.351845 34.10743 
1 1 1   13   17   34 o   58.460   25.244   4.0740   6.9832  -0.8733   15.090   5.4221   7.8773   63.274   30.550   62.290   26.855 0.9846153 40.67495 
1 1 1   13   18    0 o  245.589   14.446   80.234   9.1491   95.941   13.934   68.330   12.130  265.235   20.439  223.155   21.242 42.07932 29.47786 
1 1 1   13   18    1 o  220.285   15.380   64.836   8.7206   52.303   12.872   75.468   11.856  191.962   26.603  235.554   19.609 -43.59149 33.04880 
1 1 1   13   18    2 o  114.485   25.171   18.817   7.2613   15.699   11.043   21.192   9.6382  103.688   34.825  119.312   30.930 -15.62399 46.57700 
1 1 1   13   18    3 o  184.987   16.573   46.062   7.8572   44.672   12.026   47.097   10.378  176.798   27.127  184.409   22.171 -7.610794 35.03463 
1 1 1   13   18    4 f  361.484   11.515  171.883   10.782  161.352   15.775  181.116   14.771  346.264   17.646  368.796   15.462 -22.53146 23.46198 
1 1 1   13   18    5 o  139.240   21.274   26.968   7.4295   18.929   11.128   33.431   9.9792  111.815   34.751  152.883   26.138 -41.06769 43.48419 
1 1 1   13   18    6 o  195.074   15.741   51.077   7.8862   53.832   11.780   48.840   10.616  196.140   23.664  187.496   22.296 8.643906 32.51313 
1 1 1   13   18    7 o   82.021   27.161   9.3461   6.7215   2.7789   10.554   13.827   8.7181   74.352   31.543   97.169   30.839 -22.81737 44.11371 
1 1 1   13   18    8 o  158.795   18.148   34.429   7.3306   32.330   11.130   36.037   9.7419  147.548   30.141  159.389   24.370 -11.84061 38.76038 
1 1 1   13   18    9 o   56.269   23.913   0.9230   6.0833   6.8713   9.4669  -3.2607   7.9394   79.555   31.308   55.726   25.302 23.82966 40.25364 
1 1 1   13   18   10 o   77.233   26.522   8.1133   6.4074   12.973   10.314   5.0589   8.1766   95.012   33.582   72.341   28.896 22.67097 44.30246 
1 1 1   13   18   11 o  155.052   18.384   33.050   7.2399   16.368   11.179   45.100   9.5016  103.587   35.038  180.085   20.748 -76.49840 40.72083 
1 1 1   13   18   12 o  249.768   13.380   83.227   8.6249   90.263   13.040   77.755   11.500  255.771   19.837  238.041   18.803 17.72978 27.33273 
1 1 1   13   18   13 o   75.177   30.015   5.9595   8.8184   6.8215   10.476   3.8640   16.334   80.326   32.487   86.447   37.947 -6.121674 49.95316 
1 1 1   13   18   14 o   68.994   28.431   3.9269   8.2084   1.8848   9.7474   8.9060   15.220   69.143   29.841   91.042   38.210 -21.89908 48.48161 
1 1 1   13   18   15 o  131.204   20.794   24.466   6.8312   14.468   10.414   32.016   9.0504   96.725   33.778  148.132   24.439 -51.40705 41.69235 
1 1 1   13   18   16 o   58.037   25.287   0.3928   7.1349 -20.7100   13.942   7.8800   8.3047   56.956   27.911   77.857   29.675 -20.90032 40.73854 
1 1 1   13   18   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   18   18 o   95.616   38.026   14.010   14.103   14.010   14.103   0.0000   0.0000   95.616   38.026  ?   ?  0.000000 38.02590 
1 1 1   13   18   19 o   48.941   22.251  -2.2844   6.1657  -2.1700   13.156  -2.3166   6.9798   70.095   32.109   52.118   23.687 17.97625 39.90054 
1 1 1   13   18   20 o   75.469   26.818   8.2302   6.5863   8.5330   13.750   8.1400   7.5030   84.959   36.021   76.183   28.386 8.775909 45.86166 
1 1 1   13   18   21 o   71.290   26.668   6.9207   6.6352   9.4760   13.189   6.0549   7.6775   85.175   35.647   70.716   28.078 14.45851 45.37732 
1 1 1   13   18   22 o   50.074   22.083  -0.2239   5.5916  -0.9822   12.704  -0.0416   6.2272   69.186   31.641   52.869   23.311 16.31702 39.30117 
1 1 1   13   18   23 f   95.452   24.337   14.158   6.0357   25.050   13.005   11.169   6.8139  114.682   37.771   83.828   27.327 30.85414 46.62013 
1 1 1   13   18   24 o  100.360   23.562   15.601   6.0204   2.0260   13.304   19.096   6.7512   72.522   32.859  110.879   24.187 -38.35609 40.80138 
1 1 1   13   18   25 o   62.958   24.806   4.9546   5.9497   6.3650   12.810   4.5667   6.7183   76.501   33.592   63.496   25.892 13.00517 42.41202 
1 1 1   13   18   26 o   42.282   20.022  -4.8577   5.8385 -13.0100   12.307  -2.4900   6.6324   54.725   26.689   48.885   22.541 5.840706 34.93425 
1 1 1   13   18   27 o   50.316   22.539  -0.2749   6.0604   16.900   13.117  -4.9358   6.8334   90.991   36.509   45.846   21.696 45.14512 42.46881 
1 1 1   13   18   28 f   60.401   25.335   3.9320   6.6853   2.2560   14.541   4.3812   7.5281   70.552   32.823   62.998   26.678 7.554501 42.29797 
1 1 1   13   18   29 o   71.597   28.282   8.3336   7.7525   0.0000   0.0000   8.3336   7.7525  ?   ?    71.597   28.282 0.000000 28.28174 
1 1 1   13   18   30 o   77.360   29.192   10.894   7.9856   14.990   14.740   9.1928   9.5007   83.148   36.283   73.511   30.466 9.636871 47.37804 
1 1 1   13   18   31 o   44.518   21.637  -8.3934   7.9010 -22.2800   14.035  -1.9505   9.5598   50.549   25.310   55.773   26.164 -5.223881 36.40249 
1 1 1   13   18   32 o   59.620   26.186   3.6484   7.7888  -3.9160   14.005   7.0359   9.3719   60.767   29.361   67.474   29.190 -6.707935 41.40208 
1 1 1   13   18   33 o   96.016   27.499   17.581   7.1889   21.700   14.869   16.325   8.2127   86.253   37.037   88.409   30.031 -2.156044 47.68228 
1 1 1   13   19    0 o   89.800   28.704   11.629   7.5423   10.906   11.864   12.119   9.7706   92.379   35.408   92.779   32.697 -0.3994980 48.19526 
1 1 1   13   19    1 o  261.788   13.730   91.197   9.2777   80.183   13.667  100.609   12.635  240.301   22.208  272.430   18.006 -32.12863 28.59056 
1 1 1   13   19    2 f  135.984   22.329   26.057   7.5921   20.778   11.214   30.524   10.316  115.896   34.666  143.964   28.670 -28.06844 44.98534 
1 1 1   13   19    3 o  197.101   16.182   52.390   8.1889   51.374   12.599   53.133   10.775  189.205   26.428  195.538   21.637 -6.333511 34.15551 
1 1 1   13   19    4 o  172.125   18.213   40.479   7.9969   30.759   12.259   47.680   10.551  141.079   33.955  184.530   22.543 -43.45148 40.75682 
1 1 1   13   19    5 o  283.001   12.974  106.144   9.5108   85.103   13.952  124.407   12.999  247.408   22.001  303.803   16.581 -56.39554 27.54911 
1 1 1   13   19    6 o  116.651   25.213   19.803   7.3962   4.5860   10.918   32.709   10.055   77.836   32.493  149.783   26.904 -71.94701 42.18540 
1 1 1   13   19    7 o   47.211   21.907  -4.5703   6.4113 -14.1670   10.415   1.2845   8.1353   52.121   25.217   64.047   27.446 -11.92600 37.27135 
1 1 1   13   19    8 o  294.741   12.692  115.231   9.6897  104.296   14.539  123.969   12.997  274.550   20.594  302.762   16.636 -28.21185 26.47405 
1 1 1   13   19    9 o   78.180   27.222   8.3985   6.7611   2.7635   10.411   12.508   8.8910   72.877   31.134   92.138   31.247 -19.26102 44.11026 
1 1 1   13   19   10 o  190.840   15.990   49.418   7.8318   39.132   12.156   56.717   10.240  160.605   30.332  202.161   19.810 -41.55576 36.22778 
1 1 1   13   19   11 o  160.026   18.233   35.398   7.4230   23.842   11.292   44.191   9.8504  121.693   34.331  176.603   22.011 -54.90965 40.78126 
1 1 1   13   19   12 o  149.417   24.745   32.610   9.2419   30.377   11.062   37.770   16.816  139.441   31.384  145.817   42.145 -6.375671 52.54691 
1 1 1   13   19   13 f  260.429   14.435   91.487   9.6998   69.950   16.933  102.006   11.834  212.292   31.768  273.128   16.809 -60.83522 35.94104 
1 1 1   13   19   14 o  216.805   18.807   65.451   10.457   46.180   15.596   81.190   14.094  165.807   37.225  237.437   23.213 -71.63023 43.87022 
1 1 1   13   19   15 o  102.966   40.589   17.530   15.937   17.530   15.937   0.0000   0.0000  102.966   40.589  ?   ?  0.000000 40.58864 
1 1 1   13   19   16 o  156.408   22.922   35.713   9.0112   27.826   10.718   54.730   16.643  130.892   31.903  179.523   37.019 -48.63107 48.86935 
1 1 1   13   19   17 o   86.694   26.289   11.549   6.4170   6.1945   9.4193   16.186   8.7658   74.726   30.585   99.883   30.810 -25.15724 43.41320 
1 1 1   13   19   18 o   39.816   19.443 -10.5240   6.5916   5.7050   13.374 -15.7315   7.5757   80.049   34.750   39.373   19.531 40.67562 39.86253 
1 1 1   13   19   19 o   59.782   25.330   2.2736   6.7924   20.710   13.727  -3.7044   7.8165  106.224   38.595   52.699   24.360 53.52557 45.63948 
1 1 1   13   19   20 o   76.618   27.128   8.7808   6.7338  -2.3830   12.790   13.062   7.9203   67.764   31.266   89.812   29.471 -22.04775 42.96688 
1 1 1   13   19   21 o   91.656   27.303   13.515   6.9672   5.9440   13.087   16.510   8.2305   78.259   34.168   99.634   29.675 -21.37463 45.25556 
1 1 1   13   19   22 o   45.419   20.940  -2.8028   5.7199 -23.4500   12.454   2.7173   6.4393   49.409   24.598   58.968   24.806 -9.558804 34.93419 
1 1 1   13   19   23 o   44.292   20.612  -3.4320   5.7408 -15.2400   11.613   0.3869   6.6042   51.994   25.478   54.241   23.956 -2.247101 34.97169 
1 1 1   13   19   24 o   58.077   23.713   3.5138   5.6447  -0.4455   11.768   4.6969   6.4330   65.486   30.134   62.937   25.456 2.548656 39.44712 
1 1 1   13   19   25 o   83.160   26.394   11.545   6.3861   13.490   14.119   11.044   7.1604   85.779   36.442   80.826   28.021 4.953117 45.96941 
1 1 1   13   19   26 o   47.752   21.835  -1.5684   6.0455  -3.7980   12.157  -0.8359   6.9682   61.184   28.949   52.084   23.670 9.099792 37.39400 
1 1 1   13   19   27 o   43.814   20.689  -4.2232   6.1540 -11.9800   13.070  -2.0136   6.9756   55.724   27.247   49.894   23.045 5.830727 35.68572 
1 1 1   13   19   28 o   76.970   27.495   10.446   6.9314   9.0870   15.177   10.804   7.7915   76.468   34.821   77.479   28.915 -1.011086 45.26105 
1 1 1   13   19   29 o   52.574   25.106  -5.1336   9.5756   0.0000   0.0000  -5.1336   9.5756  ?   ?    52.574   25.106 0.000000 25.10565 
1 1 1   13   19   30 o   46.619   22.868 -10.9254   9.4343  -6.1970   13.804 -15.0700   12.924   59.302   28.771   51.886   25.698 7.416065 38.57682 
1 1 1   13   19   31 o   54.483   24.306   1.8139   6.9711  -2.4920   14.142   3.1960   8.0121   61.613   29.704   58.893   26.180 2.720402 39.59422 
1 1 1   13   19   32 o   37.163   18.405 -10.9195   6.6241  -9.1480   14.211 -11.4112   7.4872   56.070   27.615   39.700   19.644 16.37075 33.88919 
1 1 1   13   19   33 f   67.788   26.948   8.8335   7.0801  -2.2720   14.969   12.034   8.0358   60.017   29.306   74.931   29.028 -14.91440 41.24850 
1 1 1   13   20    0 o  179.674   20.308   44.897   9.2855   14.580   16.156   59.852   11.347  102.397   40.707  206.903   21.485 -104.5061 46.02903 
1 1 1   13   20    1 o  177.890   18.176   43.434   8.2577   47.475   12.373   40.189   11.089  180.029   27.397  165.884   26.713 14.14455 38.26455 
1 1 1   13   20    2 o   97.434   28.016   14.215   7.4482   2.7922   11.179   23.334   9.9880   74.831   32.123  123.019   31.275 -48.18718 44.83347 
1 1 1   13   20    3 o   88.715   28.269   11.576   7.3197   5.4402   11.597   15.640   9.4372   80.170   33.479  101.052   32.087 -20.88213 46.37247 
1 1 1   13   20    4 f  180.077   17.790   44.461   8.1899   24.917   12.819   57.942   10.646  123.464   37.093  204.067   20.414 -80.60341 42.33946 
1 1 1   13   20    5 o  151.995   20.378   32.364   7.8210   33.991   12.189   31.225   10.197  147.670   32.726  144.501   28.255 3.168732 43.23587 
1 1 1   13   20    6 o   95.246   28.092   13.665   7.4044   18.709   10.852   9.2724   10.128  108.511   34.404   84.770   32.658 23.74035 47.43641 
1 1 1   13   20    7 o  157.002   19.840   34.476   7.8884   29.328   12.339   38.034   10.259  134.599   35.046  161.452   25.366 -26.85355 43.26308 
1 1 1   13   20    8 f   74.211   27.749   7.0365   7.1825   15.260   14.186   4.2017   8.3290  100.391   38.658   69.746   28.679 30.64467 48.13429 
1 1 1   13   20    9 o  185.205   17.603   47.269   8.3432   37.430   14.466   52.174   10.213  149.502   37.438  192.415   20.823 -42.91254 42.83961 
1 1 1   13   20   10 o  134.803   27.815   27.622   9.3904   23.800   13.936   30.800   12.709  117.232   39.123  136.222   35.615 -18.98981 52.90635 
1 1 1   13   20   11 o   63.514   29.931  -8.2430   12.761  -8.2430   12.761   0.0000   0.0000   63.514   29.931  ?   ?  0.000000 29.93081 
1 1 1   13   20   12 o  136.089   43.330   35.130   17.200   35.130   17.200   0.0000   0.0000  136.089   43.330  ?   ?  0.000000 43.33024 
1 1 1   13   20   13 o  200.122   24.594   59.060   12.481   74.280   18.859   47.200   16.648  211.713   35.656  163.018   39.776 48.69510 53.41827 
1 1 1   13   20   14 o  173.558   37.753   52.190   16.490   0.0000   0.0000   52.190   16.490  ?   ?   173.558   37.753 0.000000 37.75310 
1 1 1   13   20   15 o  103.591   24.871   16.397   6.5892   18.657   9.9945   14.659   8.7634  105.329   32.966   95.037   30.991 10.29234 45.24609 
1 1 1   13   20   16 o   48.422   22.115  -2.4670   6.1795  -3.7898   9.2439  -1.3983   8.3090   57.332   26.498   57.805   26.100 -0.4725075 37.19308 
1 1 1   13   20   17 o   83.010   26.858   10.715   6.5883   13.832   9.7454   8.0907   8.9411   91.615   32.615   77.189   30.410 14.42643 44.59253 
1 1 1   13   20   18 o  115.564   23.029   20.131   6.6518   12.279   9.4135   27.962   9.4005   87.204   31.919  132.271   28.293 -45.06727 42.65320 
1 1 1   13   20   19 o   90.432   27.977   13.269   7.2219  -1.6540   12.336   21.051   8.9079   67.032   30.848  112.270   30.041 -45.23772 43.05898 
1 1 1   13   20   20 o   97.616   27.727   15.618   7.3394   10.790   12.332   18.265   9.1329   84.252   34.797  102.694   31.411 -18.44166 46.87731 
1 1 1   13   20   21 o   64.702   25.947   5.0435   6.6219  -3.1440   11.997   8.6310   7.9411   63.662   29.683   75.680   28.977 -12.01848 41.48208 
1 1 1   13   20   22 o   53.880   23.123   1.6129   5.7896 -13.9300   12.466   5.8877   6.5375   54.757   26.739   66.338   26.045 -11.58116 37.32703 
1 1 1   13   20   23 o   55.192   23.748   1.8856   6.1360  -2.6180   13.211   3.1244   6.9287   65.269   30.663   59.974   25.505 5.294933 39.88376 
1 1 1   13   20   24 o   48.775   21.862  -0.3796   5.7101 -11.0500   12.302   2.5508   6.4467   55.446   26.960   57.087   24.447 -1.641087 36.39354 
1 1 1   13   20   25 o   75.824   26.996   9.7486   6.6770  -4.7130   14.476   13.657   7.5253   63.902   30.610   87.081   28.734 -23.17892 41.98391 
1 1 1   13   20   26 o   52.659   23.189   1.2208   6.1437   10.570   13.161  -1.3842   6.9471   77.698   34.085   50.490   23.204 27.20816 41.23335 
1 1 1   13   20   27 o   78.257   27.120   10.966   6.7072   5.7380   15.326   12.205   7.4594   72.225   33.633   81.109   28.570 -8.884094 44.13033 
1 1 1   13   20   28 o   68.679   29.752   7.1044   9.7628   0.0000   0.0000   7.1044   9.7628  ?   ?    68.679   29.752 0.000000 29.75205 
1 1 1   13   20   29 o   49.993   24.116  -6.4166   9.3535  -2.0420   13.725 -10.2100   12.781   61.847   29.673   54.286   26.627 7.560883 39.86842 
1 1 1   13   20   30 o   56.360   24.559   3.2405   6.7313   25.360   14.465  -2.8734   7.6049   93.152   37.989   48.786   23.026 44.36556 44.42218 
1 1 1   13   20   31 o   61.526   25.878   5.8855   7.0060   9.3580   14.469   4.8219   8.0074   70.161   32.675   60.429   26.546 9.731911 42.09900 
1 1 1   13   20   32 o   47.914   22.374  -1.1274   6.8565  -2.8120   14.028  -0.5985   7.8593   58.222   28.416   50.972   23.852 7.250141 37.09942 
1 1 1   13   21    0 o  209.715   20.389   61.667   10.936   61.247   13.172   62.600   19.620  204.889   25.360  191.237   40.849 13.65196 48.08063 
1 1 1   13   21    1 o  161.438   44.469   47.640   19.189   47.640   19.189   0.0000   0.0000  161.438   44.469  ?   ?  0.000000 44.46929 
1 1 1   13   21    2 o  114.442   43.566   22.890   17.886   22.890   17.886   0.0000   0.0000  114.442   43.566  ?   ?  0.000000 43.56641 
1 1 1   13   21    3 o  168.713   44.938   52.360   19.990   52.360   19.990   0.0000   0.0000  168.713   44.938  ?   ?  0.000000 44.93758 
1 1 1   13   21    4 o   88.630   39.504   4.5110   18.370   4.5110   18.370   0.0000   0.0000   88.630   39.504  ?   ?  0.000000 39.50449 
1 1 1   13   21    5 o   71.531   34.209 -13.2400   17.919 -13.2400   17.919   0.0000   0.0000   71.531   34.209  ?   ?  0.000000 34.20943 
1 1 1   13   21    6 o  119.297   44.498   26.590   18.448   26.590   18.448   0.0000   0.0000  119.297   44.498  ?   ?  0.000000 44.49785 
1 1 1   13   21    7 o  194.872   27.561   57.218   13.524   65.620   18.817   48.240   19.452  196.930   38.266  159.196   45.111 37.73470 59.15465 
1 1 1   13   21    8 o  233.200   21.761   77.747   12.993   96.150   18.981   61.520   17.823  249.603   29.956  191.040   37.356 58.56287 47.88358 
1 1 1   13   21    9 o  178.514   25.222   47.353   11.338   74.180   16.232   21.790   15.845  219.306   29.306  109.945   41.194 109.3613 50.55488 
1 1 1   13   21   10 o  127.699   33.337   27.151   11.146   24.040   15.104   30.870   16.516  114.140   40.606  126.625   42.589 -12.48482 58.84469 
1 1 1   13   21   11 o  154.313   23.367   35.121   9.0479   26.218   10.834   55.650   16.451  125.341   32.937  180.689   36.408 -55.34699 49.09599 
1 1 1   13   21   12 o   78.802   27.141   9.3023   6.7122  -1.3492   10.425   16.845   8.7725   64.061   29.051  101.375   30.737 -37.31416 42.29313 
1 1 1   13   21   13 o   55.066   23.957   0.6752   6.3844   10.726   10.031  -6.1679   8.2773   84.512   32.518   51.119   24.095 33.39314 40.47199 
1 1 1   13   21   14 o  146.273   19.482   30.715   7.1981   32.919   11.048   29.090   9.4881  141.625   30.979  135.672   27.929 5.953400 41.71004 
1 1 1   13   21   15 o   81.144   26.848   10.244   6.5678   7.5425   10.119   12.210   8.6333   77.192   31.660   86.957   30.725 -9.765465 44.11818 
1 1 1   13   21   16 o   56.696   24.341   1.5966   6.4200  -3.3145   9.4719   5.7702   8.7318   57.999   26.812   71.140   29.321 -13.14049 39.73158 
1 1 1   13   21   17 o   90.060   26.284   12.978   6.5121   7.6560   9.2205   18.275   9.1986   75.508   30.499  102.907   31.531 -27.39888 43.86797 
1 1 1   13   21   18 o   43.704   20.635  -4.9979   6.1190 -17.5798   8.7274   7.1674   8.5817   41.720   20.740   73.198   29.473 -31.47808 36.03944 
1 1 1   13   21   19 o   45.465   21.650  -6.3002   7.0171 -21.6400   12.687   0.4611   8.4228   50.655   25.153   59.644   26.655 -8.988945 36.64901 
1 1 1   13   21   20 o   61.525   25.925   3.5093   7.0517   15.380   12.713  -1.7661   8.4750   90.559   36.076   56.061   25.714 34.49799 44.30204 
1 1 1   13   21   21 f   74.435   27.361   8.8355   6.9278   10.890   12.351   7.8923   8.3681   81.499   34.323   72.949   29.199 8.549660 45.06296 
1 1 1   13   21   22 o  116.088   24.758   21.830   7.2175  -5.0350   12.713   34.608   8.7674   61.349   29.194  148.155   23.640 -86.80643 37.56495 
1 1 1   13   21   23 o   96.405   26.250   15.867   6.7317   12.050   13.789   17.062   7.7133   81.315   35.292   97.630   28.637 -16.31449 45.44937 
1 1 1   13   21   24 o   78.635   26.422   10.735   6.3569   12.310   14.357   10.351   7.0897   80.438   35.435   76.793   27.762 3.644547 45.01512 
1 1 1   13   21   25 o   50.912   22.985   0.0023   6.4423  -1.1950   13.533   0.3531   7.3256   63.912   30.328   53.952   24.420 9.959942 38.93719 
1 1 1   13   21   26 o   38.839   18.973  -8.3881   6.2929  -4.5590   14.402  -9.2916   6.9960   61.614   29.771   40.565   19.856 21.04866 35.78526 
1 1 1   13   21   27 f   50.971   25.389 -17.6000   13.342   0.0000   0.0000 -17.6000   13.342  ?   ?    50.971   25.389 0.000000 25.38924 
1 1 1   13   21   28 f   60.287   27.383   2.9374   9.3106 -18.0900   14.072   19.310   12.417   51.564   25.747   87.031   35.309 -35.46665 43.69886 
1 1 1   13   21   29 o   91.902   27.558   16.390   7.0802   10.280   14.715   18.231   8.0766   71.789   33.268   94.000   29.667 -22.21133 44.57471 
1 1 1   13   21   30 o   68.082   26.633   8.8274   6.8154   24.640   15.163   4.8241   7.6295   86.487   37.273   59.492   26.028 26.99541 45.46128 
1 1 1   13   21   31 f   78.673   28.023   13.258   7.1954   1.5190   15.710   16.374   8.0944   61.846   30.160   85.011   29.774 -23.16539 42.38065 
1 1 1   13   22    0 o   54.190   23.892  -0.2729   6.5402  -6.6001   10.147   4.2231   8.5539   57.306   26.907   69.216   28.816 -11.90918 39.42473 
1 1 1   13   22    1 o   52.497   23.762  -2.0341   6.9361   5.2280   10.675  -7.3400   9.1248   75.542   31.868   53.160   25.130 22.38272 40.58398 
1 1 1   13   22    2 o  176.508   18.056   43.533   8.1392   41.044   11.988   45.661   11.086  161.983   29.664  175.136   25.159 -13.15303 38.89682 
1 1 1   13   22    3 o   57.835   24.913   1.1733   6.7681 -11.9888   9.7803   13.269   9.3757   50.642   24.485   91.603   32.047 -40.96162 40.32991 
1 1 1   13   22    4 o   53.366   23.929  -1.2814   6.8481   2.1187   10.228  -4.0439   9.2196   69.125   30.193   57.347   26.490 11.77763 40.16623 
1 1 1   13   22    5 o  113.121   25.424   19.521   7.2682   22.957   10.936   16.803   9.7274  116.251   34.099  100.790   32.638 15.46073 47.20131 
1 1 1   13   22    6 o   98.917   27.113   15.325   7.1537   21.136   11.190   11.309   9.3029  110.695   34.918   86.046   31.695 24.64894 47.15775 
1 1 1   13   22    7 o  133.243   22.596   26.185   7.5200   29.209   11.265   23.754   10.100  132.085   33.015  119.568   31.985 12.51740 45.96819 
1 1 1   13   22    8 o   86.377   30.508   11.711   8.5110   16.819   10.395   1.3210   14.825   99.568   33.786   76.492   34.669 23.07643 48.40952 
1 1 1   13   22    9 o  126.159   27.812   25.134   8.8440   21.141   10.508   34.830   16.376  110.686   33.659  132.344   42.294 -21.65902 54.05281 
1 1 1   13   22   10 o   67.680   26.107   5.8391   6.4784   4.8686   9.3677   6.7288   8.9691   71.049   29.906   74.103   30.028 -3.054314 42.37966 
1 1 1   13   22   11 o   88.170   27.009   12.344   6.7497   14.002   10.545   11.193   8.7850   91.468   33.737   84.278   30.837 7.190483 45.70650 
1 1 1   13   22   12 o  100.934   26.742   16.263   7.1033   8.6882   10.294   23.148   9.8140   79.388   32.170  116.610   31.671 -37.22131 45.14403 
1 1 1   13   22   13 o  137.098   20.808   27.614   7.1573   16.705   10.395   37.449   9.8695   97.375   33.762  155.884   25.310 -58.50925 42.19563 
1 1 1   13   22   14 o  120.891   23.036   22.202   6.9503   24.650   10.474   20.277   9.2904  118.342   32.952  108.503   31.315 9.839027 45.45835 
1 1 1   13   22   15 o  179.843   16.101   45.339   7.4213   39.506   10.302   51.631   10.701  158.788   25.942  185.337   22.768 -26.54887 34.51595 
1 1 1   13   22   16 o  107.350   23.533   17.891   6.3633   13.921   8.7433   22.362   9.2787   89.855   30.974  113.725   30.757 -23.86950 43.65096 
1 1 1   13   22   17 o   83.742   25.864   11.378   6.1750   15.307   8.7670   7.5084   8.6990   93.196   31.027   73.294   29.617 19.90231 42.89349 
1 1 1   13   22   18 o  104.537   24.233   17.388   6.4340   10.470   9.1568   24.133   9.0423   79.795   30.966  118.404   29.571 -38.60844 42.81698 
1 1 1   13   22   19 o   62.258   24.902   4.8822   6.0819   8.2429   8.9616   2.0127   8.2808   74.043   30.011   60.885   26.862 13.15787 40.27674 
1 1 1   13   22   20 o   62.961   26.100   4.6774   6.9750   2.7600   11.805   5.7058   8.6455   67.962   30.856   67.821   28.648 0.1414261 42.10473 
1 1 1   13   22   21 o   73.545   28.207   8.9763   7.5328   4.8120   13.154   11.008   9.1887   71.331   32.457   78.654   30.879 -7.322456 44.79909 
1 1 1   13   22   22 o   73.950   27.923   9.4025   7.3099  -5.0110   14.046   14.757   8.5606   62.158   29.874   87.662   30.625 -25.50401 42.78247 
1 1 1   13   22   23 o   64.683   25.844   6.2931   6.5430   1.2080   13.780   7.7731   7.4345   66.348   31.217   69.071   27.565 -2.722610 41.64517 
1 1 1   13   22   24 o   58.663   24.923   3.9591   6.6047 -30.8900   13.828   14.260   7.5177   46.246   23.401   86.349   28.731 -40.10335 37.05509 
1 1 1   13   22   25 o   53.900   24.426   0.8339   7.3558   0.0000   0.0000   0.8339   7.3558  ?   ?    53.900   24.426 0.000000 24.42646 
1 1 1   13   22   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   22   27 o   39.758   19.456  -8.3320   6.7043   7.1100   13.955 -12.9658   7.6443   68.527   31.972   39.040   19.409 29.48741 37.40240 
1 1 1   13   22   28 o   50.810   23.173   0.6227   6.7544  -1.5930   15.012   1.1851   7.5631   61.037   29.703   53.452   24.433 7.585030 38.46120 
1 1 1   13   22   29 o   79.727   28.043   13.412   7.1842   21.600   16.146   11.391   8.0220   79.572   36.111   72.683   28.751 6.888496 46.15861 
1 1 1   13   22   30 o   74.799   27.966   12.309   7.2953   0.7220   16.457   15.143   8.1386   60.863   29.925   80.365   29.639 -19.50266 42.11878 
1 1 1   13   23    0 o   67.156   26.972   5.1232   7.1675   11.647   10.680  -0.2238   9.6685   86.539   33.481   63.186   28.375 23.35311 43.88752 
1 1 1   13   23    1 o   53.870   24.154  -0.9626   6.9766  -3.3032   10.401   0.9517   9.4065   60.991   28.160   64.308   28.487 -3.316860 40.05655 
1 1 1   13   23    2 o  162.322   19.629   37.826   8.0854   12.515   11.906   59.487   11.015   88.924   35.073  202.205   21.353 -113.2812 41.06190 
1 1 1   13   23    3 o   46.249   21.857  -5.7755   6.8943  -5.5609   10.233  -5.9539   9.3294   57.798   27.100   54.636   25.700 3.161758 37.34801 
1 1 1   13   23    4 o   98.029   26.246   15.177   6.7972  -3.0576   9.5039   34.271   9.7254   58.658   27.025  148.875   26.175 -90.21690 37.62271 
1 1 1   13   23    5 o   80.013   27.887   9.8931   7.0965   9.9922   10.744   9.8165   9.4517   82.686   33.089   81.215   31.476 1.470901 45.66862 
1 1 1   13   23    6 o   63.703   26.097   4.1028   6.8649  -0.2997   10.179   7.7766   9.2980   64.007   28.895   76.363   30.703 -12.35596 42.16142 
1 1 1   13   23    7 o   58.859   25.969   0.6597   7.7404  -2.9950   9.2569   9.1550   14.113   57.751   26.630   83.980   36.073 -26.22956 44.83779 
1 1 1   13   23    8 o   98.238   30.179   16.250   8.4202   8.4115   9.7063   40.090   16.927   77.823   31.342  138.752   42.816 -60.92841 53.06134 
1 1 1   13   23    9 o  154.517   18.711   34.305   7.3365   32.257   10.462   36.286   10.291  139.847   29.792  151.201   27.280 -11.35400 40.39498 
1 1 1   13   23   10 f  117.867   23.732   21.365   6.9951   14.208   10.368   27.344   9.4769   90.554   33.442  128.809   29.091 -38.25421 44.32410 
1 1 1   13   23   11 o  201.622   15.298   56.530   7.9301   66.915   11.760   47.870   10.739  212.418   21.676  176.968   24.051 35.45016 32.37766 
1 1 1   13   23   12 o   41.306   19.807  -6.6938   6.0972 -14.8623   8.9458   0.3927   8.3323   44.306   21.838   59.401   26.531 -15.09491 34.36312 
1 1 1   13   23   13 o  129.634   21.682   25.321   7.0235   19.360   9.8779   31.417   9.9886  103.211   32.834  137.512   28.957 -34.30191 43.77882 
1 1 1   13   23   14 o  124.960   21.854   23.704   6.8161   13.589   9.7354   33.430   9.5463   87.686   32.401  144.146   26.545 -56.46002 41.88628 
1 1 1   13   23   15 o   67.965   25.613   6.7368   6.1427  -1.6188   8.8822   14.397   8.5043   57.202   26.269   90.218   30.560 -33.01624 40.29870 
1 1 1   13   23   16 o   54.230   23.410   1.6481   6.0012   2.7093   8.4225   0.5538   8.5531   62.486   27.343   59.214   26.632 3.271500 38.16898 
1 1 1   13   23   17 f   66.480   25.886   6.3442   6.4157   8.8156   9.1236   3.9267   9.0235   74.938   30.314   65.353   28.457 9.584808 41.57806 
1 1 1   13   23   18 o   79.114   26.828   10.661   6.5542   11.606   9.2804   9.7203   9.2577   80.498   31.192   76.276   30.648 4.222137 43.72883 
1 1 1   13   23   19 o   37.832   18.476  -8.5101   5.9570 -13.7007   8.6685  -3.8654   8.2000   43.104   21.293   51.056   24.040 -7.952217 32.11379 
1 1 1   13   23   20 o  118.196   26.722   24.130   7.9893   16.030   15.098   27.281   9.4156   84.655   36.836  121.570   30.067 -36.91407 47.54911 
1 1 1   13   23   21 o   53.581   24.452  -0.0996   7.5362   8.9350   13.791  -3.9462   8.9987   74.259   33.568   52.303   24.793 21.95585 41.73135 
1 1 1   13   23   22 o   47.311   22.345  -3.5906   7.1856 -11.1100   12.491   0.1286   8.7848   53.448   26.237   56.319   25.960 -2.871429 36.90964 
1 1 1   13   23   23 o   58.037   25.569   3.1920   7.4767 -20.1300   14.196   12.144   8.7953   51.051   25.545   77.483   30.270 -26.43153 39.60871 
1 1 1   13   23   24 o   44.383   22.304 -21.3100   11.400   0.0000   0.0000 -21.3100   11.400  ?   ?    44.383   22.304 0.000000 22.30376 
1 1 1   13   23   25 o   54.077   25.959  -3.6143   10.534  -3.8450   15.372  -3.4100   14.464   60.709   29.655   59.989   29.184 0.7196236 41.60718 
1 1 1   13   23   26 o   56.727   24.616   3.9272   6.7056   15.040   14.308   0.7992   7.5909   75.647   34.194   52.907   24.293 22.74005 41.94448 
1 1 1   13   23   27 o   61.802   25.600   6.5459   6.7031  -6.1530   15.692   9.3803   7.4135   57.907   28.614   68.513   27.462 -10.60529 39.65976 
1 1 1   13   23   28 o   51.736   23.546   1.6733   6.9275  -7.5940   14.200   4.5676   7.9359   54.437   26.957   57.967   25.892 -3.530392 37.37720 
1 1 1   13   23   29 o   51.465   23.464   1.9919   6.9181   10.010   14.749  -0.2700   7.8334   65.431   31.221   49.914   23.500 15.51705 39.07692 
1 1 1   13   24    0 o  196.474   16.810   54.442   8.4729   58.700   12.695   51.022   11.378  193.857   25.931  181.937   24.788 11.92020 35.87318 
1 1 1   13   24    1 o  283.038   13.167  109.051   9.6534   97.722   14.290  118.561   13.092  256.945   21.673  289.331   17.552 -32.38535 27.88886 
1 1 1   13   24    2 o  125.609   23.265   24.121   7.2909   24.560   10.832   23.757   9.8586  116.415   33.876  116.733   31.759 -0.3175964 46.43509 
1 1 1   13   24    3 o  139.217   22.343   29.209   7.7848   9.3963   10.868   50.088   11.157   80.076   32.823  180.460   24.501 -100.3843 40.95896 
1 1 1   13   24    4 o   96.138   26.599   15.035   6.8476   20.404   10.010   10.312   9.3880  106.515   32.935   80.831   31.358 25.68378 45.47533 
1 1 1   13   24    5 o   77.307   30.017   9.0729   8.6079   16.603   10.190  -9.6890   16.085   95.852   33.416   66.045   31.799 29.80727 46.12828 
1 1 1   13   24    6 o  124.708   27.700   25.428   8.7152   25.774   10.821   24.790   14.704  119.126   33.607  108.531   39.867 10.59547 52.14230 
1 1 1   13   24    7 o  121.499   22.407   22.494   6.7920   22.370   9.9332   22.602   9.3081  111.677   32.424  114.060   30.788 -2.382126 44.71248 
1 1 1   13   24    8 o  130.023   21.849   25.561   7.0978   32.355   10.353   19.537   9.7496  138.583   29.732  103.752   32.574 34.83044 44.10269 
1 1 1   13   24    9 o   60.072   24.932   3.5440   6.3757   4.1811   9.2257   2.9615   8.8211   67.405   29.061   64.458   28.100 2.947449 40.42464 
1 1 1   13   24   10 o   81.202   26.586   10.803   6.4467  -0.2077   9.1329   21.737   9.1012   59.965   27.192  111.168   30.627 -51.20327 40.95654 
1 1 1   13   24   11 o   51.473   22.896   0.0100   6.1380   0.6539   8.7846  -0.6042   8.5798   60.205   27.041   57.790   26.264 2.415848 37.69601 
1 1 1   13   24   12 f  164.589   17.321   39.008   7.2739   23.409   10.300   54.526   10.273  111.626   33.186  190.282   21.204 -78.65549 39.38142 
1 1 1   13   24   13 o  183.256   15.896   47.673   7.4708   36.242   10.435   59.696   10.701  146.425   28.537  198.863   21.096 -52.43851 35.48794 
1 1 1   13   24   14 o  163.298   17.362   38.669   7.2315   24.202   9.9276   55.022   10.555  113.674   32.233  189.335   21.928 -75.66071 38.98428 
1 1 1   13   24   15 o   68.813   25.881   7.3718   6.2658   3.7578   8.9705   10.815   8.7557   64.414   28.202   78.618   30.344 -14.20422 41.42550 
1 1 1   13   24   16 o   46.555   21.396  -1.7948   5.9070   4.7993   8.2767  -8.6404   8.4330   64.682   27.700   46.659   22.602 18.02210 35.75091 
1 1 1   13   24   17 o   77.098   26.356   10.307   6.3262   18.818   8.7509   0.9890   9.1561   98.882   30.830   59.503   27.077 39.37849 41.03232 
1 1 1   13   24   18 o   50.923   22.919   0.1930   6.3483  -2.3255   9.0324   2.6515   8.9241   54.408   25.495   60.980   27.331 -6.572144 37.37609 
1 1 1   13   24   19 o   53.715   23.669   1.7786   6.4095   5.1099   9.3504  -1.1742   8.8032   64.893   28.591   54.841   25.522 10.05225 38.32531 
1 1 1   13   24   20 o   71.434   26.928   9.1718   6.7911   8.1306   9.6981   10.174   9.5127   69.557   29.891   73.308   30.442 -3.750923 42.66398 
1 1 1   13   24   21 o   44.485   21.379  -5.5708   7.1909 -16.8300   12.737  -0.3025   8.7123   49.706   24.767   54.808   25.468 -5.101433 35.52468 
1 1 1   13   24   22 o   57.377   27.427  -2.0020   11.487   0.0000   0.0000  -2.0020   11.487  ?   ?    57.377   27.427 0.000000 27.42659 
1 1 1   13   24   23 o   67.370   32.078   5.9770   15.398   0.0000   0.0000   5.9770   15.398  ?   ?    67.370   32.078 0.000000 32.07806 
1 1 1   13   24   24 o   30.867   15.651 -18.6486   6.3891 -31.3400   14.081 -15.3586   7.1696   44.850   22.791   35.517   17.826 9.333244 28.93469 
1 1 1   13   24   25 o   62.813   26.119   7.0004   7.0161 -14.1300   15.091   12.827   7.9246   52.943   26.469   76.339   29.014 -23.39542 39.27370 
1 1 1   13   24   26 o   71.811   27.396   10.966   7.0823   4.7030   15.827   12.534   7.9195   63.381   30.764   74.464   28.825 -11.08256 42.15798 
1 1 1   13   24   27 o   59.321   25.351   6.1813   6.9067   7.1080   14.363   5.9025   7.8773   63.223   30.339   59.259   26.169 3.963940 40.06582 
1 1 1   13   24   28 f   37.950   18.739  -8.4407   6.6875  -6.8180   14.053  -8.9158   7.6037   52.613   26.182   40.192   19.871 12.42091 32.86898 
1 1 1   13   25    0 o   79.465   28.762   10.507   7.6131  -5.8545   11.298   24.114   10.303   58.300   27.678  113.980   33.003 -55.67997 43.07251 
1 1 1   13   25    1 o  124.337   24.390   24.479   7.5746   14.271   11.175   33.156   10.303   87.939   34.185  139.619   29.416 -51.67960 45.09890 
1 1 1   13   25    2 o   92.463   27.540   14.488   7.0887   13.881   11.085   14.907   9.2204   87.113   33.997   90.620   31.776 -3.506439 46.53468 
1 1 1   13   25    3 o   70.513   27.537   7.2819   7.2769   7.8550   10.195   6.6866   10.390   74.783   31.323   72.919   31.126 1.864449 44.15843 
1 1 1   13   25    4 o   75.051   29.333   8.7986   8.2620   5.5591   9.8178   16.660   15.294   70.119   30.102   91.066   38.265 -20.94765 48.68653 
1 1 1   13   25    5 o   58.495   26.040   1.0122   7.9550   7.8396   9.5989 -13.9600   14.215   73.976   30.638   58.102   28.410 15.87387 41.78339 
1 1 1   13   25    6 o   85.163   27.156   12.259   6.7541   19.164   10.012   6.4923   9.1499  100.368   33.144   70.695   29.646 29.67355 44.46810 
1 1 1   13   25    7 o   73.023   27.075   8.4610   6.8093  -4.0993   9.9440   19.550   9.3435   56.449   26.546  102.663   31.832 -46.21393 41.44873 
1 1 1   13   25    8 o  152.711   19.354   34.600   7.4841   31.173   11.122   37.436   10.118  129.443   33.054  150.650   26.915 -21.20714 42.62615 
1 1 1   13   25    9 o  168.030   17.373   40.919   7.4525   35.169   10.823   46.104   10.277  141.178   30.488  170.922   23.863 -29.74449 38.71650 
1 1 1   13   25   10 o   42.638   20.252  -4.9972   6.0630  -7.2970   8.3883  -2.4815   8.7733   48.195   23.143   54.880   25.520 -6.684914 34.45094 
1 1 1   13   25   11 o   49.864   22.520  -0.5694   6.1915   2.4680   8.8995  -3.4186   8.6193   62.067   27.591   53.093   24.887 8.974373 37.15673 
1 1 1   13   25   12 o   37.898   18.425  -7.6302   5.7398  -2.9882   8.2150 -12.0578   8.0230   52.283   24.440   42.342   20.833 9.940746 32.11422 
1 1 1   13   25   13 o   67.686   25.773   7.2127   6.2604   4.2765   8.6628   10.423   9.0574   64.019   27.879   76.656   30.478 -12.63731 41.30541 
1 1 1   13   25   14 o   75.515   26.431   9.8963   6.3780   2.3951   8.8199   18.118   9.2340   60.758   27.206   95.203   31.846 -34.44481 41.88459 
1 1 1   13   25   15 o   45.959   21.332  -2.2241   6.0851 -10.3813   8.4398   6.6073   8.7817   44.526   21.797   67.476   28.704 -22.95002 36.04248 
1 1 1   13   25   16 o   93.927   26.527   15.872   6.7379   15.493   9.3407   16.283   9.7288   86.198   31.758   87.487   32.377 -1.288803 45.35257 
1 1 1   13   25   17 f   43.361   20.671  -4.6249   6.4343  -4.4697   9.0119  -4.7862   9.1895   51.084   24.383   51.184   24.484 -0.9982300E-01 34.55456 
1 1 1   13   25   18 o   47.095   21.850  -1.5925   6.3740  -5.5603   8.9848   2.4276   9.0439   49.529   23.827   59.161   26.917 -9.631886 35.94756 
1 1 1   13   25   19 o   55.351   25.209   1.4698   7.9578   15.040   14.688  -4.1692   9.4679   77.407   34.848   51.633   24.739 25.77428 42.73642 
1 1 1   13   25   20 o   67.222   29.207   8.1259   9.4645 -29.7000   14.111   39.060   12.761   45.867   23.256  126.583   36.749 -80.71574 43.49002 
1 1 1   13   25   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   22 o   54.682   26.164  -1.5988   10.510  -5.0440   15.451   1.3680   14.338   58.325   28.739   61.522   29.721 -3.196133 41.34366 
1 1 1   13   25   23 o   58.235   25.755   4.6939   7.6579   6.8650   13.878   3.7434   9.1825   64.892   30.769   58.379   26.773 6.512543 40.78650 
1 1 1   13   25   24 o   31.991   16.200 -17.9498   6.7060 -46.2100   14.615 -10.4125   7.5475   40.548   20.810   39.588   19.613 0.9600792 28.59531 
1 1 1   13   25   25 o   37.849   18.724  -9.3163   6.7868 -16.1900   14.583  -7.4161   7.6677   49.642   24.984   42.021   20.613 7.621502 32.39003 
1 1 1   13   25   26 o   49.876   22.972   1.5047   6.8609   15.230   14.599  -2.3861   7.7728   68.208   32.103   46.645   22.367 21.56263 39.12668 
1 1 1   13   25   27 o   42.301   20.499  -4.1086   6.9535   3.0340   15.367  -5.9476   7.7974   57.623   28.444   42.588   20.870 15.03532 35.27919 
1 1 1   13   26    0 o   87.132   27.576   13.327   6.9747   11.922   9.7986   14.769   9.9302   80.851   31.841   87.284   32.630 -6.432274 45.59072 
1 1 1   13   26    1 o  120.188   24.014   23.307   7.2146   30.312   10.425   16.868   9.9947  128.120   31.608   92.348   33.013 35.77163 45.70444 
1 1 1   13   26    2 o   97.236   29.340   17.168   8.0075   11.923   9.4787   30.240   14.964   80.888   31.473  111.630   40.337 -30.74161 51.16287 
1 1 1   13   26    3 o  126.491   26.157   26.715   8.2873   22.027   9.7886   38.580   15.572  106.606   32.501  127.086   41.306 -20.47933 52.55905 
1 1 1   13   26    4 o   78.935   26.843   10.713   6.5617   7.9567   9.6428   13.090   8.9547   72.495   30.419   83.752   31.049 -11.25663 43.46680 
1 1 1   13   26    5 o  152.918   19.247   35.068   7.4551   45.086   11.190   27.073   9.9966  163.078   27.467  120.056   31.683 43.02135 41.93159 
1 1 1   13   26    6 o   65.385   26.128   6.1575   6.6881   3.3456   9.7294   8.6766   9.2089   64.476   28.743   73.293   30.148 -8.817596 41.65444 
1 1 1   13   26    7 o  174.621   17.372   44.678   7.7534   42.584   11.279   46.553   10.675  155.754   29.025  168.210   25.283 -12.45601 38.49254 
1 1 1   13   26    8 o  170.031   17.908   42.767   7.7686   30.944   11.264   53.492   10.728  124.262   34.006  183.141   23.131 -58.87812 41.12731 
1 1 1   13   26    9 o   61.473   25.379   4.8655   6.5564   5.7456   9.3189   4.0028   9.2261   67.093   29.066   64.043   28.299 3.049515 40.56701 
1 1 1   13   26   10 o  163.415   17.529   39.542   7.3041   27.428   10.282   51.885   10.378  117.489   32.624  180.110   22.752 -62.62083 39.77452 
1 1 1   13   26   11 o   56.441   24.093   3.1601   6.2251  -1.5334   9.1664   7.1777   8.4807   55.521   25.907   68.212   28.570 -12.69122 38.56666 
1 1 1   13   26   12 o   54.669   23.753   2.4259   6.2597  -2.4919   9.2370   6.6026   8.5125   54.230   25.528   66.658   28.307 -12.42807 38.11758 
1 1 1   13   26   13 f  141.383   20.469   31.443   7.2783   22.487   10.270   40.480   10.316  101.117   33.578  150.883   27.405 -49.76665 43.34156 
1 1 1   13   26   14 o  148.184   19.150   33.994   7.1785   34.584   10.031   33.375   10.277  135.378   29.444  130.541   30.877 4.837280 42.66541 
1 1 1   13   26   15 o   61.340   25.451   5.6106   6.6405   5.7563   9.4103   5.4660   9.3720   64.362   28.503   63.865   28.356 0.4976349 40.20541 
1 1 1   13   26   16 o   80.230   29.081   13.305   7.7867   23.220   12.879   7.5920   9.7759   91.411   36.343   66.914   29.365 24.49693 46.72353 
1 1 1   13   26   17 o   56.720   26.229   1.5076   9.0755   8.6940   12.515  -6.4620   13.180   68.678   31.408   55.694   27.259 12.98319 41.58739 
1 1 1   13   26   18 o   56.907   25.733   3.0167   8.1124   5.6026   10.405  -0.9915   12.955   63.054   28.759   58.856   28.388 4.198486 40.41012 
1 1 1   13   26   19 o   55.512   26.218   0.2736   9.8897   0.3307   12.956   0.1939   15.308   59.295   28.547   61.252   29.849 -1.957031 41.30222 
1 1 1   13   26   20 o   58.539   26.192   4.6203   8.1578   3.2812   9.8426   7.5590   14.581   58.393   27.113   65.582   31.223 -7.188206 41.35210 
1 1 1   13   26   21 o   49.954   23.082   0.5449   7.0080  -0.4905   10.241   1.4567   9.6105   54.233   25.916   55.428   26.076 -1.194626 36.76401 
1 1 1   13   26   22 o   47.159   22.520  -2.4819   7.7051  -0.0656   14.101  -3.5104   9.1999   57.981   28.340   49.163   23.765 8.817307 36.98512 
1 1 1   13   26   23 o   38.149   19.033 -12.0313   7.6271 -11.8300   14.655 -12.1061   8.9320   51.257   25.693   41.489   20.683 9.767876 32.98364 
1 1 1   13   26   24 o   49.319   23.456  -0.4654   8.1846 -10.8600   13.923   5.0231   10.117   50.085   25.097   57.698   27.019 -7.612297 36.87608 
1 1 1   13   26   25 o   45.395   21.663  -1.5361   7.1043   0.4082   15.326  -2.0682   8.0177   55.890   27.734   46.607   22.443 9.283119 35.67738 
1 1 1   13   26   26 o   50.237   23.438   2.3756   7.4990   1.8730   15.918   2.5190   8.5014   55.465   27.644   51.484   24.313 3.980797 36.81490 
1 1 1   13   27    0 o   66.840   26.314   7.1555   6.6904   4.7490   9.7263   9.3169   9.2176   65.189   28.918   72.885   30.092 -7.696381 41.73452 
1 1 1   13   27    1 f  143.762   24.925   34.611   8.9455   29.785   10.699   45.820   16.306  121.330   33.117  132.719   42.181 -11.38872 53.62840 
1 1 1   13   27    2 o  161.908   22.286   41.927   9.0989   33.270   10.816   62.880   16.828  130.412   32.210  167.463   39.444 -37.05122 50.92415 
1 1 1   13   27    3 o   96.016   26.642   16.481   6.8594   19.900   9.5951   12.907   9.8097   97.778   32.455   80.153   31.765 17.62511 45.41336 
1 1 1   13   27    4 o   41.518   19.968  -5.9871   6.3012  -9.5291   9.0395  -2.6393   8.7882   46.833   22.847   53.116   24.971 -6.282150 33.84617 
1 1 1   13   27    5 o   78.453   26.866   11.189   6.5735   5.5869   9.6420   16.053   8.9854   66.023   29.063   88.430   31.335 -22.40697 42.73809 
1 1 1   13   27    6 f   97.898   25.751   16.904   6.6175   12.434   9.2255   21.641   9.4977   78.855   30.946  102.162   32.162 -23.30728 44.63280 
1 1 1   13   27    7 o   90.725   26.984   15.138   6.8089   7.0042   9.2699   24.669   10.034   67.613   29.141  108.203   32.887 -40.58968 43.94034 
1 1 1   13   27    8 o   61.929   25.256   5.6770   6.3933  -0.7351   8.7508   13.018   9.3632   54.801   25.485   79.334   31.163 -24.53268 40.25647 
1 1 1   13   27    9 o   69.195   25.903   8.4398   6.2623   2.3403   8.7522   14.838   8.9642   58.785   26.642   83.721   31.060 -24.93546 40.92086 
1 1 1   13   27   10 o  126.622   21.547   26.054   6.8141   22.755   9.5347   29.498   9.7416  102.857   32.200  121.557   30.878 -18.69998 44.61272 
1 1 1   13   27   11 o   98.187   26.308   17.789   6.8263  -7.8814   9.2925   47.881   10.061   47.848   23.303  168.018   23.781 -120.1697 33.29546 
1 1 1   13   27   12 o  129.960   25.855   30.279   8.3975   23.100   14.323   34.039   10.366   87.857   36.980  128.993   31.335 -41.13580 48.47001 
1 1 1   13   27   13 o   71.150   30.031   10.491   9.4886   6.6830   13.602   14.100   13.243   66.863   31.316   75.252   33.541 -8.388771 45.88839 
1 1 1   13   27   14 o   79.414   31.688   15.159   9.8237   12.960   14.366   17.090   13.463   72.617   33.371   78.127   34.368 -5.509605 47.90422 
1 1 1   13   27   15 o   49.283   23.221  -1.5770   7.6759  -9.4252   9.7731   11.060   12.401   46.634   22.955   69.930   31.701 -23.29589 39.13914 
1 1 1   13   27   16 o   48.550   22.919  -1.6646   7.5419   5.4970   12.661  -5.6035   9.3895   63.126   29.768   48.546   23.594 14.57963 37.98402 
1 1 1   13   27   17 o   64.754   28.931   8.2839   9.9153   8.3750   13.740   8.1850   14.323   65.508   30.928   65.448   31.098 0.5970764E-01 43.85917 
1 1 1   13   27   18 o   58.270   26.107   4.9932   8.1339   6.6186   9.8411   1.4890   14.450   61.730   28.083   59.637   29.048 2.093098 40.40317 
1 1 1   13   27   19 o   54.388   24.056   3.8647   6.6829   1.6598   9.7286   5.8348   9.1960   55.017   25.990   59.752   27.169 -4.735424 37.59813 
1 1 1   13   27   20 o   43.079   20.751  -3.9068   6.8680   10.524   9.7355 -18.2036   9.6903   66.119   29.151   39.794   20.070 26.32590 35.39147 
1 1 1   13   27   21 o   75.651   28.241   13.780   7.4337   10.599   10.646   16.807   10.384   64.842   29.385   74.886   31.502 -10.04419 43.07991 
1 1 1   13   27   22 o   57.721   26.068   6.1707   8.2941   25.000   14.861  -2.3479   9.9957   75.727   34.473   49.777   24.226 25.95069 42.13463 
1 1 1   13   27   23 o   46.474   22.216  -1.0615   7.5395  -2.7850   15.719  -0.5465   8.5923   53.919   26.965   48.745   23.411 5.174156 35.71012 
1 1 1   13   27   24 o   55.599   25.428   6.0953   8.2061 -18.9700   14.289   18.429   10.024   45.213   22.974   73.673   30.969 -28.45993 38.56009 
1 1 1   13   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28    1 o  121.904   32.192   31.103   10.316   22.830   13.841   41.440   15.471   89.322   36.876  118.761   41.188 -29.43948 55.28376 
1 1 1   13   28    2 o   84.726   29.868   15.082   8.1538   3.2800   13.199   22.365   10.369   64.446   30.391   97.491   33.724 -33.04510 45.39798 
1 1 1   13   28    3 o   72.421   28.467   10.290   7.8188   26.410   12.905   0.9413   9.8279   97.927   37.072   57.820   26.928 40.10741 45.81962 
1 1 1   13   28    4 o   37.355   18.588 -12.6619   7.0760  -4.1550   11.491 -17.8578   8.9806   55.324   26.698   39.852   19.995 15.47200 33.35547 
1 1 1   13   28    5 o   93.756   28.441   17.542   7.5093   11.690   12.266   21.051   9.4973   73.098   32.448   96.424   32.297 -23.32683 45.78149 
1 1 1   13   28    6 f   82.180   30.100   14.677   8.3731   17.390   12.279   12.320   11.447   81.318   34.234   73.869   32.109 7.448784 46.93553 
1 1 1   13   28    7 o   54.158   25.077   0.6090   8.3353  -4.3510   11.681   5.7540   11.897   54.882   26.589   64.841   30.001 -9.958977 40.08823 
1 1 1   13   28    8 f   98.588   32.616   22.722   9.6933   24.550   13.962   21.020   13.468   88.761   36.872   84.134   35.660 4.627029 51.29482 
1 1 1   13   28    9 o   65.696   28.637   7.9429   9.1604  -4.4690   12.872   20.680   13.039   55.937   27.283   83.591   35.239 -27.65373 44.56639 
1 1 1   13   28   10 o   34.276   17.276 -16.8216   7.1157 -18.6960   8.9046 -13.5100   11.836   38.573   19.427   48.159   23.976 -9.585743 30.85856 
1 1 1   13   28   11 o   81.204   29.259   14.758   7.8653   12.074   9.9251   19.290   12.896   71.726   30.514   79.987   34.423 -8.260841 46.00056 
1 1 1   13   28   12 o   73.320   29.173   12.282   8.3039   17.450   14.364   9.6874   10.177   74.939   34.028   67.069   29.674 7.869919 45.14975 
1 1 1   13   28   13 o   49.007   23.852  -5.1285   9.6885 -16.4400   12.920   9.4050   14.645   47.682   23.932   66.092   31.416 -18.41059 39.49332 
1 1 1   13   28   14 o   69.328   30.165   11.897   10.123   13.710   14.148   9.9950   14.491   69.393   32.315   65.876   31.295 3.517799 44.98510 
1 1 1   13   28   15 o   46.257   22.336  -3.8866   8.0739   7.4697   9.6931 -29.6200   14.591   62.070   28.092   44.637   22.733 17.43359 36.13819 
1 1 1   13   28   16 o   82.948   28.358   15.830   7.3237   14.210   10.487   17.372   10.233   71.324   30.867   77.448   31.809 -6.124115 44.32367 
1 1 1   13   28   17 o   54.026   24.152   3.9796   6.9207   1.4754   9.6692   6.6101   9.9099   53.746   25.542   59.867   27.587 -6.121136 37.59577 
1 1 1   13   28   18 o   69.088   27.304   11.289   7.2287   2.4933   10.396   19.521   10.058   54.985   26.230   80.352   32.063 -25.36646 41.42528 
1 1 1   13   28   19 o   91.861   28.342   19.612   7.4172   26.208   10.831   13.787   10.178   90.263   34.012   68.436   29.999 21.82713 45.35162 
1 1 1   13   28   20 o   43.697   20.996  -2.4072   6.9263  -2.9030   9.2939  -1.7877   10.388   47.605   23.211   49.989   24.410 -2.383568 33.68394 
1 1 1   13   28   21 o   43.677   21.028  -2.2269   7.0302  -3.8394   10.183  -0.7583   9.7177   47.529   23.402   49.360   23.992 -1.831795 33.51532 
1 1 1   13   28   22 o   59.471   25.534   8.5700   7.0656   9.4991   9.8674   7.5924   10.122   59.095   27.335   56.789   26.730 2.306942 38.23223 
1 1 1   13   28   23 o   47.613   22.457   1.9023   7.2121   21.020   15.914  -3.0394   8.0907   62.973   30.630   43.673   21.371 19.30030 37.34909 
1 1 1   13   29    0 o   39.195   19.254  -8.2349   6.7626   11.632   9.2135 -31.4399   9.9575   71.084   29.776   35.584   18.179 35.50070 34.88646 
1 1 1   13   29    1 o   89.857   30.719   18.874   8.5940   13.202   10.126   33.480   16.249   73.151   30.958   92.272   39.142 -19.12098 49.90472 
1 1 1   13   29    2 o   59.721   26.492   5.4169   8.1631   2.4681   9.7888   12.150   14.791   57.208   26.720   69.420   32.560 -12.21261 42.12006 
1 1 1   13   29    3 f   80.025   33.198   18.123   11.296   20.100   15.945   16.130   16.006   76.353   35.113   72.502   33.962 3.851341 48.84998 
1 1 1   13   29    4 o   58.054   27.226   2.8761   10.339   3.4920   13.961   2.1280   15.386   61.480   29.607   61.359   29.906 0.1206322 42.08276 
1 1 1   13   29    5 o   52.254   25.342  -3.4251   10.681  -3.3190   15.042  -3.5330   15.169   57.499   28.337   57.486   28.355 0.1270676E-01 40.08674 
1 1 1   13   29    6 o   53.198   25.579  -1.5328   10.325   11.010   14.666 -13.8600   14.539   67.365   31.850   51.226   25.665 16.13897 40.90322 
1 1 1   13   29    7 o   84.765   33.639   21.055   11.015   24.020   15.629   18.130   15.526   79.177   35.768   73.138   33.990 6.038658 49.34243 
1 1 1   13   29    8 o   49.224   24.115  -5.9148   10.388 -25.7000   14.573   14.520   14.811   46.115   23.408   69.617   32.629 -23.50266 40.15741 
1 1 1   13   29    9 o   40.883   20.301 -10.8148   8.2674 -17.5266   9.8875   4.7820   15.073   40.768   20.525   61.326   29.825 -20.55761 36.20472 
1 1 1   13   29   10 o   69.525   28.543   11.563   8.2345   10.014   9.7594   15.390   15.342   65.418   28.996   68.950   32.592 -3.532043 43.62328 
1 1 1   13   29   11 o   42.907   20.567  -3.2152   6.5590   5.9685   9.1763 -12.8083   9.3786   59.009   26.950   41.923   20.945 17.08606 34.13231 
1 1 1   13   29   12 o   62.205   25.800   8.0614   6.8207   5.1948   9.6888   10.878   9.6036   57.855   26.875   65.869   29.001 -8.013771 39.53872 
1 1 1   13   29   13 o   72.737   27.672   12.662   7.2128   5.8809   10.564   18.583   9.8718   58.629   27.504   79.005   31.682 -20.37641 41.95460 
1 1 1   13   29   14 o   63.662   26.184   9.0812   6.9459   16.378   9.8399   1.8342   9.8062   73.942   30.855   53.412   25.478 20.52946 40.01435 
1 1 1   13   29   15 o   53.847   24.054   4.5240   6.8507   7.2005   9.7949   1.9609   9.5853   59.019   27.277   52.928   25.231 6.091408 37.15724 
1 1 1   13   29   16 o   49.327   22.819   1.9667   6.8779  -0.5718   9.7500   4.4811   9.7039   50.271   24.340   55.249   26.056 -4.977894 35.65582 
1 1 1   13   29   17 o   57.765   25.245   7.0955   7.1592   17.076   10.346  -2.0736   9.9168   71.375   30.774   48.743   23.812 22.63185 38.91089 
1 1 1   13   29   18 o   49.395   22.969   2.4139   7.1059   16.207   10.191 -10.6371   9.9132   69.120   30.166   42.506   21.281 26.61401 36.91681 
1 1 1   13   29   19 o   34.229   17.230 -12.8598   6.9531  -7.1420   10.090 -18.0295   9.5947   44.394   22.107   37.809   19.171 6.585114 29.26225 
1 1 1   13   29   20 o   57.765   25.406   8.4118   7.3539   2.6819   10.068   14.964   10.767   50.856   24.650   63.596   29.101 -12.74009 38.13769 
1 1 1   13   29   21 o   94.985   27.826   22.807   7.2867   14.173   9.8636   33.179   10.811   62.418   28.286   93.724   34.221 -31.30633 44.39837 
1 1 1   13   30    0 f   53.206   23.915   3.6953   6.8855   4.1456   9.9436   3.2805   9.5437   56.550   26.578   55.260   25.993 1.290405 37.17609 
1 1 1   13   30    1 o   79.342   28.052   14.870   7.1975   15.252   10.568   14.540   9.8299   71.544   30.974   71.528   30.397 0.1644897E-01 43.39784 
1 1 1   13   30    2 o  112.520   25.452   25.001   7.2448   28.121   10.344   21.997   10.150   99.716   33.704   85.739   32.776 13.97711 47.01360 
1 1 1   13   30    3 o   55.996   24.751   5.2103   7.0623   7.3558   10.142   3.1907   9.8402   60.320   27.835   55.311   26.132 5.008953 38.17963 
1 1 1   13   30    4 o   87.226   28.371   17.748   7.3458   14.987   10.877   20.064   9.9606   70.281   30.905   81.777   32.135 -11.49542 44.58464 
1 1 1   13   30    5 o   48.602   22.564   1.0476   6.8146  -1.5609   9.7666   3.5225   9.5131   50.322   24.363   55.150   25.945 -4.828773 35.59092 
1 1 1   13   30    6 o   79.144   27.960   15.010   7.1489   8.1189   10.223   21.606   10.001   60.728   27.997   84.336   32.464 -23.60748 42.86856 
1 1 1   13   30    7 o   59.548   25.557   7.3456   7.0738   0.4980   10.266   13.536   9.7608   52.422   25.282   68.651   29.744 -16.22878 39.03717 
1 1 1   13   30    8 o  104.279   27.482   23.703   7.5279   11.236   10.758   35.667   10.538   63.894   29.181  116.003   33.314 -52.10811 44.28741 
1 1 1   13   30    9 o   79.767   28.151   15.721   7.2454   17.138   10.092   14.212   10.409   73.492   30.993   68.008   30.054 5.484581 43.17175 
1 1 1   13   30   10 o   65.298   26.387   10.203   6.9053   9.1885   9.4461   11.368   10.120   61.028   27.666   63.716   28.783 -2.687878 39.92341 
1 1 1   13   30   11 o   79.767   28.351   16.222   7.3611   14.096   10.348   18.400   10.473   66.934   29.753   73.627   31.335 -6.693062 43.21059 
1 1 1   13   30   12 o   43.974   21.090  -1.8095   6.9184  -3.6532   9.3494   0.4219   10.286   46.564   22.826   51.058   24.786 -4.494461 33.69537 
1 1 1   13   30   13 o   71.557   27.540   13.455   7.1963   17.457   9.9658   9.0950   10.402   71.951   30.593   59.267   27.636 12.68409 41.22691 
1 1 1   13   30   14 o   36.017   17.919  -8.8609   6.5663 -16.2333   9.2729  -1.4461   9.2995   38.153   19.289   47.691   23.245 -9.537437 30.20640 
1 1 1   13   30   15 o   41.579   20.204  -3.2621   6.8782   7.3503   9.8897 -13.2049   9.5727   56.164   26.431   40.014   20.151 16.14959 33.23686 
1 1 1   13   30   16 o   87.584   28.392   20.075   7.3595   18.342   10.339   21.857   10.479   69.509   30.358   75.021   31.606 -5.511955 43.82430 
1 1 1   13   30   17 o   93.496   28.531   22.781   7.5406   24.451   10.559   21.043   10.772   77.883   32.185   71.159   31.036 6.723251 44.71150 
1 1 1   13   30   18 o   50.880   23.520   5.0413   7.2878   8.2190   10.188   1.7117   10.429   54.558   26.009   48.998   24.037 5.559738 35.41561 
1 1 1   13   30   19 o   67.685   27.333   14.579   7.4035   14.365   10.400   14.800   10.541   59.840   27.813   60.142   27.969 -0.3022423 39.44394 
1 1 1   13   31    0 o   97.697   28.901   23.485   7.8269   12.695   10.902   34.959   11.243   62.956   28.983  102.429   35.135 -39.47234 45.54644 
1 1 1   13   31    1 o   99.211   27.883   23.040   7.4633   23.481   10.677   22.618   10.437   80.395   32.695   79.708   32.359 0.6871796 46.00084 
1 1 1   13   31    2 o   59.965   25.710   8.6000   7.1459   2.1986   10.187   14.801   10.026   51.960   25.090   67.021   29.564 -15.06136 38.77533 
1 1 1   13   31    3 o   48.995   22.751   2.3651   6.9329   4.6217   9.7398   0.0474   9.8707   53.985   25.649   49.768   24.188 4.217381 35.25541 
1 1 1   13   31    4 o   65.674   26.936   11.419   7.3243   16.794   10.705   6.6883   10.043   68.534   30.373   56.174   26.496 12.35987 40.30618 
1 1 1   13   31    5 o   53.569   24.127   5.3160   7.0495   17.209   10.125  -5.8748   9.8212   70.262   30.368   45.063   22.334 25.19904 37.69638 
1 1 1   13   31    6 o   43.018   20.779  -2.3226   7.0030  -3.6128   9.8191  -0.9870   9.9905   46.536   22.926   48.735   23.827 -2.198219 33.06605 
1 1 1   13   31    7 o   59.782   25.916   8.9714   7.4183  -2.4340   10.647   19.731   10.341   48.211   23.775   73.346   31.175 -25.13480 39.20602 
1 1 1   13   31    8 o   65.899   26.918   11.843   7.2776   15.866   9.9937   7.3006   10.619   67.416   29.635   56.051   26.675 11.36495 39.87192 
1 1 1   13   31    9 o   85.728   28.626   19.525   7.4608   13.869   10.263   25.865   10.865   63.571   28.827   81.570   33.051 -17.99926 43.85624 
1 1 1   13   31   10 o   55.648   24.826   7.1262   7.2724   11.462   10.274   2.7718   10.296   60.028   27.811   51.202   24.843 8.826618 37.29107 
1 1 1   13   31   11 o   42.342   20.361  -1.4449   6.5441   2.8065   9.4140  -5.4202   9.1032   50.362   24.268   43.321   21.476 7.040459 32.40625 
1 1 1   13   31   12 o   71.271   27.113   14.220   6.9241   18.828   9.6739   9.3793   9.9150   70.904   30.144   56.784   26.641 14.12053 40.22942 
1 1 1   13   31   13 o   77.818   28.386   17.783   7.4359   11.087   10.434   24.693   10.600   57.715   27.158   76.822   32.038 -19.10729 41.99940 
1 1 1   13   31   14 o   91.355   28.848   23.118   7.6363   13.436   10.473   34.110   11.158   59.512   27.743   90.772   34.446 -31.26003 44.22893 
1 1 1   13   31   15 o   35.023   17.549  -9.3133   6.8076  -5.9065   9.1976 -13.4407   10.124   41.792   20.859   39.221   19.866 2.571518 28.80557 
1 1 1   13   31   16 o   53.536   24.210   7.8057   7.1811   3.1833   10.345   12.104   9.9761   48.413   23.788   56.601   26.608 -8.187988 35.69159 
1 1 1   13   31   17 o   55.955   25.066   10.036   7.4957   16.813   10.808   3.7548   10.404   59.363   27.839   48.038   23.653 11.32504 36.53066 
1 1 1   13   32    0 o   52.464   24.042   6.0507   7.3852   3.0619   10.338   9.1660   10.554   50.062   24.425   55.468   26.451 -5.405979 36.00340 
1 1 1   13   32    1 o   63.415   26.737   12.178   7.5081   6.9420   10.578   17.494   10.658   53.415   25.736   64.965   29.425 -11.54983 39.09172 
1 1 1   13   32    2 o   85.024   28.795   20.584   7.5503   13.207   10.830   27.559   10.531   59.459   27.879   82.388   32.830 -22.92918 43.07029 
1 1 1   13   32    3 o   93.078   28.278   22.809   7.4194   22.230   10.571   23.371   10.416   72.196   31.118   74.807   31.513 -2.611168 44.28766 
1 1 1   13   32    4 o   81.025   28.683   19.280   7.5275   21.845   11.035   17.047   10.295   69.808   30.892   64.889   29.197 4.919594 42.50674 
1 1 1   13   32    5 o   56.747   25.000   8.6722   7.1476  -4.5582   10.139   21.741   10.077   44.363   22.103   72.838   30.857 -28.47514 37.95701 
1 1 1   13   32    6 o   43.230   20.902  -0.7773   7.1274   3.6179   10.437  -4.6178   9.7564   50.120   24.473   43.752   21.780 6.368698 32.76072 
1 1 1   13   32    7 o   54.087   24.534   7.5163   7.4416   13.108   10.774   2.4144   10.291   58.460   27.535   48.914   23.972 9.545708 36.50753 
1 1 1   13   32    8 o   49.547   23.000   4.6759   7.0765  -1.7343   9.7659   11.763   10.268   45.293   22.416   57.124   26.898 -11.83163 35.01391 
1 1 1   13   32    9 o   51.966   23.809   6.4956   7.2382   1.6868   10.459   10.915   10.027   47.907   23.613   55.978   26.426 -8.071384 35.43898 
1 1 1   13   32   10 o   35.216   17.585  -7.8843   6.5691 -16.0899   9.0332   1.3262   9.5703   35.930   18.258   46.772   22.961 -10.84224 29.33539 
1 1 1   13   32   11 o   57.442   25.098   10.092   7.0733   6.9304   9.8391   13.474   10.176   51.099   24.670   57.484   26.975 -6.385818 36.55545 
1 1 1   13   32   12 o   32.391   16.415 -13.4846   6.9695 -19.5215   9.6228  -6.8237   10.108   35.214   17.980   41.420   20.840 -6.205978 27.52479 
1 1 1   13   32   13 f   70.465   27.719   17.268   7.4185   20.082   10.236   14.155   10.767   63.732   28.854   55.810   26.643 7.921883 39.27348 
1 1 1   13   32   14 o   45.827   21.969   3.6076   7.4891  -8.3537   10.796   14.704   10.398   40.586   20.553   55.861   26.530 -15.27503 33.55959 
1 1 1   13   32   15 o   43.895   21.224   2.4428   7.3508   4.4064   10.213   0.3320   10.589   46.469   22.985   44.092   22.063 2.377678 31.86001 
1 1 1   13   33    0 o   80.772   29.124   22.051   7.7950   16.543   11.388   26.907   10.693   57.340   27.381   72.329   31.235 -14.98865 41.53701 
1 1 1   13   33    1 o   51.553   23.721   7.4722   7.2907   1.2323   10.532   13.213   10.102   45.945   22.832   55.826   26.406 -9.880592 34.90816 
1 1 1   13   33    2 o   55.592   24.922   10.124   7.4247   2.6787   10.480   17.625   10.520   46.826   23.183   59.991   27.913 -13.16499 36.28455 
1 1 1   13   33    3 o   73.406   28.400   19.076   7.6839   17.647   10.721   20.585   11.018   59.467   27.837   62.139   28.793 -2.671295 40.04899 
1 1 1   13   33    4 o   79.392   28.917   21.483   7.7126   20.852   11.270   22.039   10.578   61.587   28.734   65.047   29.401 -3.459328 41.11052 
1 1 1   13   33    5 o   44.759   21.482   2.5210   7.2065 -10.7995   10.171   15.947   10.212   39.049   19.794   58.067   27.177 -19.01820 33.62089 
1 1 1   13   33    6 o   50.063   23.389   6.9674   7.5074   0.9956   10.907   12.344   10.349   45.411   22.673   53.810   25.804 -8.398880 34.34970 
1 1 1   13   33    7 o   55.994   25.107   11.139   7.5384   11.930   10.485   10.292   10.846   52.931   25.533   51.310   25.030 1.620651 35.75512 
1 1 1   13   33    8 f   47.817   22.563   5.6510   7.2948   1.4189   10.345   9.8367   10.288   44.864   22.349   50.854   24.711 -5.989784 33.31778 
1 1 1   13   33    9 o   44.133   21.294   2.7813   7.3038  -2.0278   10.492   7.3022   10.173   42.676   21.440   48.426   23.753 -5.750320 31.99807 
1 1 1   13   33   10 o   52.176   23.869   9.3595   7.2360   10.171   9.9210   8.4369   10.577   50.321   24.409   48.619   23.922 1.702026 34.17658 
1 1 1   13   33   11 o   40.812   20.011   0.2173   7.2003   3.4932   10.080  -3.1956   10.289   44.784   22.268   41.170   20.753 3.614346 30.43970 
1 1 1   13   33   12 o   39.005   19.383  -2.0215   7.5934   0.7450   10.243  -5.3965   11.314   42.681   21.406   40.461   20.547 2.220192 29.67189 
1 1 1   13   34    0 o   52.295   24.333   11.664   7.9962   0.8809   11.223   22.781   11.396   42.756   21.568   56.926   27.240 -14.16990 34.74468 
1 1 1   13   34    1 o   53.334   24.386   11.729   7.5396   0.2023   10.661   23.264   10.665   42.233   21.269   59.483   27.818 -17.25000 35.01735 
1 1 1   13   34    2 o   46.839   22.236   6.7642   7.2894   3.6462   10.750   9.4182   9.9179   43.980   22.040   47.827   23.458 -3.847210 32.18742 
1 1 1   13   34    3 o   35.730   17.933  -5.6722   7.2512  -5.0714   10.172  -6.2929   10.340   39.359   19.934   38.970   19.775 0.3895683 28.07858 
1 1 1   13   34    4 o   38.386   19.080  -1.9185   7.3744 -16.0788   10.555   11.585   10.307   35.553   18.206   48.884   23.964 -13.33178 30.09538 
1 1 1   13   34    5 o   48.374   22.807   8.4819   7.4246   0.6050   10.389   16.703   10.614   41.883   21.080   52.315   25.345 -10.43138 32.96619 
1 1 1   13   34    6 o   38.481   19.142  -1.5355   7.4823  -6.7855   10.707   3.4757   10.461   38.625   19.652   43.155   21.642 -4.529495 29.23347 
1 1 1   13   34    7 o   48.339   22.852   9.1052   7.5470   7.5168   10.518   10.791   10.835   45.106   22.480   46.972   23.310 -1.865612 32.38398 
1 1 1   13   34    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0    0 o   38.007   21.854   2.3862   3.4403   2.3862   3.4403   2.3862   3.4403   38.007   21.854   38.007   21.854 0.000000 0.000000 
1 1 1   14    0    1 o  300.608   11.445  117.882   8.8825  117.882   8.8825  117.882   8.8825  300.608   11.445  300.608   11.445 0.000000 0.000000 
1 1 1   14    0    2 o  161.171   12.000   34.306   4.9461   34.306   4.9461   34.306   4.9461  161.171   12.000  161.171   12.000 0.000000 0.000000 
1 1 1   14    0    3 o  291.419   10.520  110.702   7.9178  110.702   7.9178  110.702   7.9178  291.419   10.520  291.419   10.520 0.000000 0.000000 
1 1 1   14    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0    7 o  377.758   15.550  187.000   15.158  187.000   15.158  187.000   15.158  377.758   15.550  377.758   15.550 0.000000 0.000000 
1 1 1   14    0    8 o  292.691   10.990  111.818   8.3055  111.818   8.3055  111.818   8.3055  292.691   10.990  292.691   10.990 0.000000 0.000000 
1 1 1   14    0    9 o   89.723   18.025   11.688   3.7144   11.688   3.7144   11.688   3.7144   89.723   18.025   89.723   18.025 0.000000 0.000000 
1 1 1   14    0   10 o  511.798   12.149  341.524   16.085  341.524   16.085  341.524   16.085  511.798   12.149  511.798   12.149 0.000000 0.000000 
1 1 1   14    0   11 o  183.776   13.231   44.692   6.2235   44.692   6.2235   44.692   6.2235  183.776   13.231  183.776   13.231 0.000000 0.000000 
1 1 1   14    0   12 o   82.708   25.225   11.181   4.7202   11.181   4.7202   11.181   4.7202   82.708   25.225   82.708   25.225 0.000000 0.000000 
1 1 1   14    0   13 o  128.816   18.030   22.983   5.6785   22.983   5.6785   22.983   5.6785  128.816   18.030  128.816   18.030 0.000000 0.000000 
1 1 1   14    0   14 o  416.383   12.553  226.752   13.511  226.752   13.511  226.752   13.511  416.383   12.553  416.383   12.553 0.000000 0.000000 
1 1 1   14    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   16 o   38.153   24.008   1.0947   4.9903   1.0947   4.9903   1.0947   4.9903   38.153   24.008   38.153   24.008 0.000000 0.000000 
1 1 1   14    0   17 o  719.744   14.577  679.773   27.152  679.773   27.152  679.773   27.152  719.744   14.577  719.744   14.577 0.000000 0.000000 
1 1 1   14    0   18 o   59.076   30.813   7.0109   6.1621   7.0109   6.1621   7.0109   6.1621   59.076   30.813   59.076   30.813 0.000000 0.000000 
1 1 1   14    0   19 o  154.646   23.976   34.160   8.9167   34.160   8.9167   34.160   8.9167  154.646   23.976  154.646   23.976 0.000000 0.000000 
1 1 1   14    0   20 o   22.320   15.905  -5.6534   4.0485  -5.6534   4.0485  -5.6534   4.0485   22.320   15.905   22.320   15.905 0.000000 0.000000 
1 1 1   14    0   21 o   26.444   18.325  -3.4005   4.3355  -3.4005   4.3355  -3.4005   4.3355   26.444   18.325   26.444   18.325 0.000000 0.000000 
1 1 1   14    0   22 o   34.858   22.339   0.5179   4.5573   0.5179   4.5573   0.5179   4.5573   34.858   22.339   34.858   22.339 0.000000 0.000000 
1 1 1   14    0   23 o  205.408   14.853   56.697   7.8077   56.697   7.8077   56.697   7.8077  205.408   14.853  205.408   14.853 0.000000 0.000000 
1 1 1   14    0   24 o   87.357   30.540   13.783   6.2555   13.783   6.2555   13.783   6.2555   87.357   30.540   87.357   30.540 0.000000 0.000000 
1 1 1   14    0   25 o  172.371   29.081   44.950   11.875   44.950   11.875   44.950   11.875  172.371   29.081  172.371   29.081 0.000000 0.000000 
1 1 1   14    0   26 o   36.487   23.718   0.2837   5.3829   0.2837   5.3829   0.2837   5.3829   36.487   23.718   36.487   23.718 0.000000 0.000000 
1 1 1   14    0   27 o   70.056   32.698   10.515   6.6127   10.515   6.6127   10.515   6.6127   70.056   32.698   70.056   32.698 0.000000 0.000000 
1 1 1   14    0   28 o   63.830   33.109   9.2248   7.0850   9.2248   7.0850   9.2248   7.0850   63.830   33.109   63.830   33.109 0.000000 0.000000 
1 1 1   14    0   29 o  208.491   16.953   60.182   9.0164   60.182   9.0164   60.182   9.0164  208.491   16.953  208.491   16.953 0.000000 0.000000 
1 1 1   14    0   30 o  144.749   21.749   31.127   7.6115   31.127   7.6115   31.127   7.6115  144.749   21.749  144.749   21.749 0.000000 0.000000 
1 1 1   14    0   31 o   69.164   35.185   11.764   7.9059   11.764   7.9059   11.764   7.9059   69.164   35.185   69.164   35.185 0.000000 0.000000 
1 1 1   14    0   32 o   30.392   21.567  -7.1676   7.1687  -7.1676   7.1687  -7.1676   7.1687   30.392   21.567   30.392   21.567 0.000000 0.000000 
1 1 1   14    0   33 o   74.113   36.392   14.145   8.3134   14.145   8.3134   14.145   8.3134   74.113   36.392   74.113   36.392 0.000000 0.000000 
1 1 1   14    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   35 o   43.685   28.760   2.7530   8.2888   2.7530   8.2888   2.7530   8.2888   43.685   28.760   43.685   28.760 0.000000 0.000000 
1 1 1   14    0   36 o   53.297   32.939   8.3663   8.9660   8.3663   8.9660   8.3663   8.9660   53.297   32.939   53.297   32.939 0.000000 0.000000 
1 1 1   14    0   37 o   85.682   38.268   20.309   9.0263   20.309   9.0263   20.309   9.0263   85.682   38.268   85.682   38.268 0.000000 0.000000 
1 1 1   14    1    0 o  350.240   8.2497  159.275   7.4844  169.699   10.734  149.412   10.441  361.096   11.476  338.764   11.898 22.33197 16.53106 
1 1 1   14    1    1 o  488.970   8.4701  310.490   10.728  306.917   15.135  314.099   15.209  485.487   12.035  491.152   11.954 -5.665100 16.96340 
1 1 1   14    1    2 o  326.719   11.738  138.973   9.9339  126.700   14.510  149.800   13.629  310.335   18.129  338.546   15.541 -28.21057 23.87876 
1 1 1   14    1    3 o  324.322   11.589  136.939   9.7358  133.600   14.201  139.900   13.373  318.891   17.256  327.086   15.784 -8.195648 23.38629 
1 1 1   14    1    4 o  203.040   11.239   53.823   5.8881   0.0000   0.0000   53.823   5.8881  ?   ?   203.040   11.239 0.000000 11.23931 
1 1 1   14    1    5 o  182.799   11.565   43.688   5.4476   0.0000   0.0000   43.688   5.4476  ?   ?   182.799   11.565 0.000000 11.56454 
1 1 1   14    1    6 o  357.838   11.100  166.721   10.288   0.0000   0.0000  166.721   10.288  ?   ?   357.838   11.100 0.000000 11.09976 
1 1 1   14    1    7 o  429.934   11.517  240.832   12.826   0.0000   0.0000  240.832   12.826  ?   ?   429.934   11.517 0.000000 11.51682 
1 1 1   14    1    8 o  311.481   11.318  126.418   9.1313   0.0000   0.0000  126.418   9.1313  ?   ?   311.481   11.318 0.000000 11.31758 
1 1 1   14    1    9 o  286.636   11.622  107.131   8.6288   0.0000   0.0000  107.131   8.6288  ?   ?   286.636   11.622 0.000000 11.62165 
1 1 1   14    1   10 o  180.593   8.8402   42.415   4.1354   42.937   5.6522   41.814   6.0664  180.976   12.127  178.378   13.223 2.598206 17.94237 
1 1 1   14    1   11 o  166.358   9.5570   36.144   4.1010   35.833   5.6619   36.488   5.9480  164.984   13.363  166.378   13.930 -1.394348 19.30325 
1 1 1   14    1   12 o  323.877   8.6031  136.457   7.2175  141.417   10.149  131.384   10.266  329.047   11.908  317.025   12.501 12.02283 17.26479 
1 1 1   14    1   13 o  240.770   9.2367   75.485   5.7607   73.132   8.0324   77.977   8.2663  235.975   13.194  243.702   13.143 -7.726974 18.62330 
1 1 1   14    1   14 o  298.873   12.657  116.924   9.7987  116.924   9.7987   0.0000   0.0000  298.873   12.657  ?   ?  0.000000 12.65699 
1 1 1   14    1   15 o  201.477   10.673   53.139   5.5505   46.406   7.8415   59.900   7.8576  186.867   16.365  213.069   14.320 -26.20261 21.74588 
1 1 1   14    1   16 o  388.037   10.389  196.579   10.443  204.300   17.536  192.337   12.998  392.856   17.233  382.928   13.105 9.928192 21.64942 
1 1 1   14    1   17 o  329.598   9.5223  141.709   8.1298  148.487   11.578  135.117   11.418  336.254   13.293  320.603   13.749 15.65030 19.12423 
1 1 1   14    1   18 o  227.008   11.835   67.712   6.9350   70.880   11.056   65.657   8.9046  229.846   18.733  222.372   15.557 7.474594 24.35036 
1 1 1   14    1   19 o  136.495   15.531   24.956   5.3935   31.630   8.4948   20.449   6.9813  151.472   22.320  120.961   23.124 30.51044 32.13856 
1 1 1   14    1   20 o  117.980   13.854   18.606   4.1534   28.660   8.2147   15.153   4.8141  143.591   22.852  105.042   18.361 38.54916 29.31447 
1 1 1   14    1   21 o  166.336   10.665   36.418   4.5711   28.853   6.4986   43.827   6.4309  145.905   17.547  181.609   13.773 -35.70390 22.30667 
1 1 1   14    1   22 o  140.947   12.150   26.360   4.3925   24.652   6.3094   27.967   6.1188  134.113   18.668  143.717   16.751 -9.603760 25.08178 
1 1 1   14    1   23 o  138.200   12.946   25.472   4.5804   29.311   6.6126   21.931   6.3506  146.564   17.782  125.557   20.213 21.00777 26.92114 
1 1 1   14    1   24 o  151.455   18.360   31.470   7.0557   23.240   10.432   38.410   9.5793  123.117   32.305  165.056   23.033 -41.93906 39.67527 
1 1 1   14    1   25 o  146.344   19.317   29.673   7.1436   28.630   9.8691   30.820   10.353  138.770   28.412  143.878   28.785 -5.107437 40.44549 
1 1 1   14    1   26 o   63.013   22.009   5.1318   4.4216   4.2247   6.3342   5.9938   6.1749   64.991   25.598   69.708   25.795 -4.717438 36.34102 
1 1 1   14    1   27 o   50.273   20.900   1.3201   4.4908   2.4453   6.7115   0.4080   6.0428   61.443   25.547   54.444   23.496 6.998779 34.70959 
1 1 1   14    1   28 o   81.706   22.658   9.7504   4.9629   6.3659   7.1889   12.832   6.8598   72.286   27.596   92.254   26.991 -19.96745 38.60128 
1 1 1   14    1   29 o  109.514   17.907   16.840   4.9042   18.930   7.0307   14.859   6.8443  112.640   24.771   98.869   26.276 13.77026 36.11082 
1 1 1   14    1   30 o  127.498   16.925   22.640   5.4515   26.036   7.5373   18.914   7.8941  133.466   22.609  110.268   27.680 23.19799 35.74002 
1 1 1   14    1   31 o  157.500   15.114   34.087   6.0904   42.351   8.8905   26.780   8.3602  171.895   20.363  132.923   25.203 38.97263 32.40125 
1 1 1   14    1   32 f  108.998   21.344   17.571   5.8104   19.564   8.3216   15.675   8.1166  109.818   28.872   97.820   29.545 11.99825 41.30952 
1 1 1   14    1   33 o  130.328   20.267   24.830   6.6197   29.263   9.6172   20.840   9.1255  134.692   28.457  111.067   30.696 23.62460 41.85729 
1 1 1   14    1   34 o  188.688   31.692   59.950   14.941   0.0000   0.0000   59.950   14.941  ?   ?   188.688   31.692 0.000000 31.69195 
1 1 1   14    1   35 o   92.331   25.238   13.710   6.2087   13.646   8.6272   13.779   8.9420   88.867   30.760   89.009   31.288 -0.1419601 43.87632 
1 1 1   14    1   36 o   93.802   25.702   14.442   6.4298   9.7907   8.8423   19.660   9.3664   77.942   30.378  103.834   31.818 -25.89170 43.99113 
1 1 1   14    1   37 o   86.274   25.870   12.493   6.2395   5.5308   9.0194   18.882   8.6408   68.124   29.038  101.845   30.422 -33.72054 42.05590 
1 1 1   14    2    0 o  191.133   8.8924   47.456   4.4026   46.364   6.0855   48.655   6.3770  188.232   12.553  192.803   12.842 -4.570557 17.95854 
1 1 1   14    2    1 o  348.445   12.469  158.180   11.254  147.700   16.498  167.300   15.391  334.861   19.099  357.534   16.619 -22.67377 25.31702 
1 1 1   14    2    2 o  349.744   12.290  159.348   11.134  151.700   16.392  165.900   15.172  339.459   18.714  356.046   16.451 -16.58752 24.91661 
1 1 1   14    2    3 o  169.806   14.796   37.945   6.4429   37.980   10.021   37.920   8.4121  167.853   23.707  168.751   19.610 -0.8982544 30.76676 
1 1 1   14    2    4 o  442.312   12.173  254.906   13.947  277.200   20.866  236.900   18.752  459.780   17.520  425.191   17.026 34.58856 24.43037 
1 1 1   14    2    5 o  301.112   11.391  118.069   8.8845   0.0000   0.0000  118.069   8.8845  ?   ?   301.112   11.391 0.000000 11.39084 
1 1 1   14    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    2    7 o  180.471   12.947   42.720   6.0120   0.0000   0.0000   42.720   6.0120  ?   ?   180.471   12.947 0.000000 12.94669 
1 1 1   14    2    8 o  143.292   14.447   27.123   5.2891   0.0000   0.0000   27.123   5.2891  ?   ?   143.292   14.447 0.000000 14.44702 
1 1 1   14    2    9 o  343.531   12.013  153.969   10.690   0.0000   0.0000  153.969   10.690  ?   ?   343.531   12.013 0.000000 12.01322 
1 1 1   14    2   10 o  411.533   12.002  221.048   12.794   0.0000   0.0000  221.048   12.794  ?   ?   411.533   12.002 0.000000 12.00172 
1 1 1   14    2   11 o  188.288   9.2581   46.140   4.5154   46.691   6.0957   45.471   6.7215  188.620   12.548  185.814   14.069 2.806305 18.85188 
1 1 1   14    2   12 o  223.400   9.2104   64.969   5.3298   64.951   7.3135   64.991   7.7833  222.495   12.743  222.371   13.578 0.1241608 18.62074 
1 1 1   14    2   13 o  227.510   13.341   68.025   7.8278   68.025   7.8278   0.0000   0.0000  227.510   13.341  ?   ?  0.000000 13.34106 
1 1 1   14    2   14 o  376.576   8.9394  184.652   8.7199  168.955   11.935  202.626   12.771  359.198   12.827  393.463   12.531 -34.26587 17.93194 
1 1 1   14    2   15 o  299.566   9.3476  116.947   7.2534  120.930   10.259  112.966   10.257  303.740   13.040  293.445   13.493 10.29532 18.76451 
1 1 1   14    2   16 o   81.586   24.666   9.1280   5.6554   0.0000   0.0000   9.1280   5.6554  ?   ?    81.586   24.666 0.000000 24.66646 
1 1 1   14    2   17 o  416.300   10.524  226.448   11.348  232.000   18.920  223.328   14.182  418.159   17.467  412.351   13.278 5.808044 21.94112 
1 1 1   14    2   18 o  295.484   11.000  114.256   8.4191  124.700   13.929  108.243   10.568  305.756   17.662  286.612   14.235 19.14413 22.68433 
1 1 1   14    2   19 o   79.188   18.566   8.7004   3.7421   12.420   7.5229   7.4775   4.3136   93.718   28.475   73.585   21.367 20.13336 35.60020 
1 1 1   14    2   20 o  138.576   12.984   25.501   4.6065   24.700   9.1999   25.769   5.3216  130.942   27.973  138.730   15.050 -7.787903 31.76514 
1 1 1   14    2   21 o  234.396   10.134   71.958   6.1532   55.820   11.676   78.163   7.2402  200.875   22.846  243.916   11.459 -43.04094 25.55876 
1 1 1   14    2   22 o  183.884   10.501   44.508   4.9810   46.173   7.2864   43.047   6.8247  185.667   15.286  179.413   14.818 6.254593 21.28954 
1 1 1   14    2   23 o   62.108   19.978   5.1819   3.6493   7.5593   5.2066   2.8859   5.1165   74.048   23.868   57.806   22.931 16.24197 33.09813 
1 1 1   14    2   24 o   47.532   21.088  -1.2059   5.1734   1.9820   8.3935  -3.1590   6.5698   66.369   28.142   50.242   22.891 16.12670 36.27581 
1 1 1   14    2   25 o  173.524   16.968   40.998   7.5290   35.160   10.829   46.460   10.475  154.279   28.135  181.444   22.791 -27.16588 36.20714 
1 1 1   14    2   26 o   63.708   21.604   5.3965   4.2500   2.4006   5.9315   8.5575   6.0927   58.890   24.206   77.918   25.862 -19.02829 35.42314 
1 1 1   14    2   27 o   41.584   18.561  -1.2221   4.0708  -3.6203   5.9548   0.8820   5.5778   46.376   21.376   53.657   22.852 -7.280811 31.29128 
1 1 1   14    2   28 o  214.570   11.179   61.128   6.1919   59.959   8.8447   62.252   8.6711  209.569   16.425  213.992   15.754 -4.423584 22.75879 
1 1 1   14    2   29 o  195.056   12.326   50.923   6.1958   52.149   8.9919   49.816   8.5491  193.848   18.118  189.795   17.589 4.053162 25.25154 
1 1 1   14    2   30 o   79.144   23.586   9.3145   5.1984   4.6474   7.5934   13.431   7.1315   67.915   27.591   92.980   27.607 -25.06488 39.03048 
1 1 1   14    2   31 o   58.544   22.750   3.8164   4.9474   4.5496   7.2430   3.1752   6.7739   66.362   26.952   61.943   25.703 4.419117 37.24302 
1 1 1   14    2   32 o   40.619   19.156  -4.6379   5.2451 -12.2634   7.1156   4.4355   7.7618   40.192   19.745   66.764   27.593 -26.57146 33.92975 
1 1 1   14    2   33 o  110.448   28.945   20.106   8.3814   16.960   12.480   22.690   11.312   96.765   36.499  111.593   35.095 -14.82784 50.63383 
1 1 1   14    2   34 o  120.336   24.516   22.536   7.3822   22.390   12.575   22.612   9.1190  107.412   37.140  115.431   30.164 -8.019768 47.84557 
1 1 1   14    2   35 o   64.500   25.532   5.2679   6.3308  -3.9168   9.0821   13.949   8.8295   55.175   25.760   89.458   31.110 -34.28329 40.39073 
1 1 1   14    2   36 o  165.745   17.064   39.379   7.2212   37.369   10.251   41.359   10.174  151.084   27.194  161.451   25.146 -10.36737 37.03876 
1 1 1   14    2   37 o   68.613   25.962   7.1834   6.3276  -0.8514   9.1086   14.677   8.7968   58.013   26.627   89.104   31.049 -31.09036 40.90282 
1 1 1   14    3    0 o  398.198   9.6115  206.100   9.9138  191.400   18.469  212.049   11.750  381.842   18.673  403.639   11.238 -21.79755 21.79383 
1 1 1   14    3    1 o  376.209   12.604  184.450   12.283  191.200   18.197  178.800   16.648  381.695   18.405  369.368   17.400 12.32721 25.32774 
1 1 1   14    3    2 o  197.350   15.127   51.192   7.6738   74.310   11.929   34.870   10.023  236.951   19.611  160.359   24.940 76.59210 31.72737 
1 1 1   14    3    3 o  149.057   17.645   29.529   6.6805   31.140   10.489   28.430   8.6654  150.487   27.937  144.697   23.958 5.789917 36.80248 
1 1 1   14    3    4 o  277.527   13.111  100.471   9.4253   99.080   13.762  101.700   12.935  273.749   19.536  277.765   18.077 -4.015656 26.61611 
1 1 1   14    3    5 f  416.191   12.667  225.896   13.656  263.100   20.674  197.100   18.188  447.647   17.829  387.364   18.127 60.28284 25.42588 
1 1 1   14    3    6 o  122.715   16.095   20.056   4.9928   0.0000   0.0000   20.056   4.9928  ?   ?   122.715   16.095 0.000000 16.09525 
1 1 1   14    3    7 o  314.982   12.000  129.369   9.7911   0.0000   0.0000  129.369   9.7911  ?   ?   314.982   12.000 0.000000 12.00038 
1 1 1   14    3    8 o  279.462   12.340  101.913   8.9325   0.0000   0.0000  101.913   8.9325  ?   ?   279.462   12.340 0.000000 12.33956 
1 1 1   14    3    9 o  243.447   13.068   77.660   8.2105   0.0000   0.0000   77.660   8.2105  ?   ?   243.447   13.068 0.000000 13.06794 
1 1 1   14    3   10 o  213.866   13.301   60.041   7.3322   0.0000   0.0000   60.041   7.3322  ?   ?   213.866   13.301 0.000000 13.30145 
1 1 1   14    3   11 o   43.385   16.851   1.5750   2.7136   4.6464   3.4747  -3.2262   4.3444   60.103   19.511   39.693   18.282 20.40994 26.73724 
1 1 1   14    3   12 o  121.347   16.615   19.736   5.0855   19.736   5.0855   0.0000   0.0000  121.347   16.615  ?   ?  0.000000 16.61549 
1 1 1   14    3   13 f  370.370   8.8161  178.561   8.4579  176.902   11.638  180.419   12.313  367.793   12.216  371.255   12.804 -3.462311 17.69655 
1 1 1   14    3   14 o   77.234   19.114   8.2245   3.8033   6.2872   5.5586   9.9298   5.2151   71.237   24.689   84.632   23.130 -13.39435 33.83090 
1 1 1   14    3   15 o  117.271   12.290   18.196   3.6777   23.720   7.4542   16.418   4.2282  131.215   22.756  110.704   15.142 20.51077 27.33347 
1 1 1   14    3   16 o   95.492   24.834   12.817   6.2006   0.0000   0.0000   12.817   6.2006  ?   ?    95.492   24.834 0.000000 24.83426 
1 1 1   14    3   17 o  117.679   17.609   18.760   5.2027   21.860   8.4073   16.837   6.6232  124.166   26.916  109.518   24.009 14.64822 36.06804 
1 1 1   14    3   18 o  199.643   10.497   52.258   5.4091   57.530   10.726   50.461   6.2639  206.165   20.352  195.691   12.422 10.47423 23.84290 
1 1 1   14    3   19 o   82.803   18.578   9.5095   3.8867   17.030   8.0848   7.2490   4.4324  108.613   28.411   72.657   21.808 35.95627 35.81613 
1 1 1   14    3   20 o  147.892   12.401   28.965   4.7068   33.260   9.4789   27.560   5.4226  153.999   24.590  143.566   14.793 10.43259 28.69651 
1 1 1   14    3   21 o  157.349   12.390   32.807   5.0091   34.190   9.7155   32.306   5.8460  155.615   24.945  155.430   14.695 0.1846466 28.95155 
1 1 1   14    3   22 o  308.248   9.6512  124.454   7.7061  130.400   15.287  122.428   8.9228  309.976   19.132  305.101   11.290 4.874847 22.21507 
1 1 1   14    3   23 o  129.091   18.797   22.982   6.1010   28.600   10.294   19.940   7.5749  138.807   29.537  117.183   25.665 21.62370 39.12975 
1 1 1   14    3   24 f  115.941   14.930   18.222   4.3797   15.799   6.4849   20.254   5.9388  104.272   24.436  120.481   19.711 -16.20868 31.39508 
1 1 1   14    3   25 o  178.788   13.577   42.772   6.2407   52.900   11.562   38.608   7.4134  193.088   23.608  168.156   17.265 24.93175 29.24718 
1 1 1   14    3   26 o   92.529   20.640   12.247   4.8212   15.814   7.3189   9.5124   6.4078  102.737   27.109   81.374   26.499 21.36250 37.90887 
1 1 1   14    3   27 o   81.498   21.229   9.5951   4.5263   2.4174   7.3169   14.045   5.7608   63.200   26.507   98.038   23.070 -34.83795 35.14010 
1 1 1   14    3   28 o  178.082   17.781   43.801   8.0924   0.0000   0.0000   43.801   8.0924  ?   ?   178.082   17.781 0.000000 17.78079 
1 1 1   14    3   29 o  175.135   13.275   41.325   5.9777   26.288   8.6112   55.311   8.3045  132.230   26.068  201.005   16.085 -68.77512 30.63068 
1 1 1   14    3   30 o  162.771   14.177   36.045   5.9178   42.418   8.6592   30.460   8.1063  173.012   19.672  144.550   22.373 28.46223 29.79108 
1 1 1   14    3   31 o   88.386   24.151   11.924   5.6865   9.3872   7.9704   14.555   8.1155   79.779   29.345   94.904   29.706 -15.12467 41.75607 
1 1 1   14    3   32 o  176.069   14.454   42.553   6.5337   41.592   9.4586   43.429   9.0360  167.831   22.310  173.092   20.555 -5.261780 30.33579 
1 1 1   14    3   33 o   67.825   28.130   4.8788   8.1078   3.7010   13.056   5.6180   10.344   74.695   33.298   73.236   31.154 1.458893 45.59976 
1 1 1   14    3   34 f   87.935   27.781   12.724   7.0811   15.710   11.870   11.074   8.8231   92.994   35.470   82.516   30.775 10.47801 46.95926 
1 1 1   14    3   35 o  137.308   20.588   28.058   7.0968   40.113   10.398   17.544   9.7102  158.653   26.217   98.119   32.653 60.53410 41.87526 
1 1 1   14    3   36 o   61.727   24.984   4.5444   6.2010   11.652   8.8263  -2.3829   8.7138   82.190   30.755   55.496   25.677 26.69321 40.06453 
1 1 1   14    3   37 o  147.846   18.440   32.232   6.9084   32.774   9.8437   31.706   9.6979  138.350   28.419  135.965   28.450 2.385040 40.21225 
1 1 1   14    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4    1 o  146.793   27.558   29.630   10.094   0.0000   0.0000   29.630   10.094  ?   ?   146.793   27.558 0.000000 27.55772 
1 1 1   14    4    2 o  237.416   14.922   73.959   9.1300   76.780   13.997   71.870   12.045  239.897   22.799  232.781   20.176 7.116928 30.44428 
1 1 1   14    4    3 o  103.335   25.228   14.752   6.6939   26.110   10.630   7.2870   8.6172  136.743   30.755   82.144   30.457 54.59894 43.28438 
1 1 1   14    4    4 o  415.048   12.899  224.724   13.868  234.300   20.208  216.200   19.066  422.204   18.477  405.675   18.144 16.52954 25.89635 
1 1 1   14    4    5 o  563.727   13.299  414.866   19.419  411.900   27.537  417.800   27.388  559.406   19.004  563.512   18.763 -4.105896 26.70591 
1 1 1   14    4    6 o  121.157   23.397   20.115   7.0769   24.570   10.708   16.660   9.4301  132.150   31.690  109.492   31.535 22.65840 44.70730 
1 1 1   14    4    7 f  190.208   13.940   47.548   6.8202   0.0000   0.0000   47.548   6.8202  ?   ?   190.208   13.940 0.000000 13.93975 
1 1 1   14    4    8 o  202.002   14.126   53.643   7.3447   0.0000   0.0000   53.643   7.3447  ?   ?   202.002   14.126 0.000000 14.12571 
1 1 1   14    4    9 o  141.693   31.078   28.310   11.093   0.0000   0.0000   28.310   11.093  ?   ?   141.693   31.078 0.000000 31.07833 
1 1 1   14    4   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4   11 f  374.194   8.4686  182.133   8.2084  186.270   11.060  177.059   12.248  377.785   11.302  367.914   12.852 9.871490 17.11431 
1 1 1   14    4   12 o  160.672   10.853   33.836   4.4904   32.961   5.9023   35.038   6.9190  157.815   14.604  162.233   16.703 -4.418732 22.18738 
1 1 1   14    4   13 o  340.596   8.9887  151.057   7.9302  143.755   10.751  159.771   11.744  331.423   12.524  349.263   12.982 -17.84039 18.03783 
1 1 1   14    4   14 o  146.814   10.742   28.289   4.0568   31.180   8.3349   27.392   4.6439  151.224   21.917  144.102   12.567 7.122192 25.26420 
1 1 1   14    4   15 o  332.257   10.408  144.126   8.9573  149.500   14.716  140.963   11.290  335.781   16.974  327.766   13.297 8.014587 21.56256 
1 1 1   14    4   16 o  114.026   17.078   17.577   4.8890   4.8420   7.5557   26.749   6.4124   71.937   28.069  140.883   17.982 -68.94550 33.33503 
1 1 1   14    4   17 o  350.189   10.740  160.363   9.7417  172.900   16.144  153.184   12.217  360.890   17.270  341.189   13.823 19.70090 22.12062 
1 1 1   14    4   18 o   99.842   16.262   13.532   4.0609   15.770   8.2084   12.807   4.6727  104.700   29.177   96.230   19.416 8.469643 35.04689 
1 1 1   14    4   19 o  122.221   13.879   19.946   4.3160   16.430   8.8460   21.045   4.9444  106.324   30.520  125.106   15.596 -18.78186 34.27399 
1 1 1   14    4   20 o  324.995   10.305  138.327   8.6755  130.800   15.461  141.786   10.481  311.234   19.272  328.253   12.327 -17.01807 22.87727 
1 1 1   14    4   21 o  378.891   9.5009  187.857   9.3245  188.600   18.184  187.592   10.861  373.636   18.849  377.918   11.095 -4.282013 21.87200 
1 1 1   14    4   22 o  208.965   14.333   58.252   7.7114   49.780   11.955   64.290   10.092  187.465   25.262  217.762   18.054 -30.29701 31.04994 
1 1 1   14    4   23 o   60.080   21.833   4.2959   4.3930  -7.1260   9.7685   7.1915   4.9185   57.209   26.711   72.209   23.190 -15.00006 35.37324 
1 1 1   14    4   24 o   97.190   19.972   13.345   4.8599   7.7070   10.150   15.021   5.5356   82.282   32.406  102.666   21.504 -20.38403 38.89211 
1 1 1   14    4   25 o   67.320   23.970   5.8211   5.2642   0.0000   0.0000   5.8211   5.2642  ?   ?    67.320   23.970 0.000000 23.97009 
1 1 1   14    4   26 o  284.810   11.772  107.431   8.6850  104.217   10.654  113.800   14.995  278.368   14.829  286.338   20.350 -7.969330 25.17958 
1 1 1   14    4   27 o  206.896   11.630   56.910   6.2076   57.150   9.4764   56.730   8.2157  203.633   18.156  204.466   15.631 -0.8330536 23.95760 
1 1 1   14    4   28 o  150.036   14.597   30.566   5.6010   27.483   8.4015   33.032   7.5145  136.647   24.643  153.474   19.331 -16.82690 31.32021 
1 1 1   14    4   29 o   48.704   20.994   0.3459   4.8130   7.0351   6.9545  -5.8034   6.6679   73.072   27.308   45.891   21.629 27.18112 34.83617 
1 1 1   14    4   30 o   39.734   18.513  -3.5022   4.6532  -1.7928   6.8518  -4.9654   6.3393   52.465   23.693   45.425   21.308 7.039997 31.86581 
1 1 1   14    4   31 o  131.052   17.502   24.215   5.7927   28.792   8.6306   20.463   7.8143  137.598   25.141  114.268   26.855 23.32990 36.78654 
1 1 1   14    4   32 o   43.833   20.785  -5.7957   6.3356  -7.8435   7.7888  -1.7910   10.892   47.109   22.536   63.829   29.231 -16.71997 36.90965 
1 1 1   14    4   33 f  106.941   26.013   18.198   7.1366   24.430   12.274   15.014   8.7719  113.571   36.649   93.795   31.027 19.77564 48.01915 
1 1 1   14    4   34 o   75.392   27.498   8.7616   6.9779   13.680   11.743   6.0774   8.6755   88.553   34.863   70.655   29.184 17.89789 45.46562 
1 1 1   14    4   35 o  122.424   25.789   24.074   7.9200   24.054   9.5612   24.120   14.138  116.931   31.046  106.543   39.098 10.38763 49.92548 
1 1 1   14    4   36 o   72.057   26.113   8.1732   6.2782   6.3200   8.8465   10.054   8.9113   69.924   29.224   78.067   30.477 -8.143509 42.22427 
1 1 1   14    4   37 o  107.453   25.055   19.049   6.8453   25.858   9.8704   12.740   9.5016  117.859   31.659   83.013   31.718 34.84624 44.81377 
1 1 1   14    5    0 o  236.273   23.178   74.620   14.003   74.620   14.003   0.0000   0.0000  236.273   23.178  ?   ?  0.000000 23.17811 
1 1 1   14    5    1 o  328.256   20.475  142.600   17.322  142.600   17.322   0.0000   0.0000  328.256   20.475  ?   ?  0.000000 20.47473 
1 1 1   14    5    2 o  319.174   20.905  135.000   17.188  135.000   17.188   0.0000   0.0000  319.174   20.905  ?   ?  0.000000 20.90502 
1 1 1   14    5    3 o  395.451   19.564  206.000   20.040  206.000   20.040   0.0000   0.0000  395.451   19.564  ?   ?  0.000000 19.56353 
1 1 1   14    5    4 f  316.522   21.569  133.100   17.579  133.100   17.579   0.0000   0.0000  316.522   21.569  ?   ?  0.000000 21.56947 
1 1 1   14    5    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    5    6 o  267.468   22.171   95.490   15.222   95.490   15.222   0.0000   0.0000  267.468   22.171  ?   ?  0.000000 22.17128 
1 1 1   14    5    7 o  386.848   19.775  198.200   19.749  198.200   19.749   0.0000   0.0000  386.848   19.775  ?   ?  0.000000 19.77470 
1 1 1   14    5    8 o  445.461   12.883  259.300   14.866   0.0000   0.0000  259.300   14.866  ?   ?   445.461   12.883 0.000000 12.88311 
1 1 1   14    5    9 o  287.670   13.149  108.227   9.7979   0.0000   0.0000  108.227   9.7979  ?   ?   287.670   13.149 0.000000 13.14883 
1 1 1   14    5   10 o  184.900   15.666   45.231   7.4324   0.0000   0.0000   45.231   7.4324  ?   ?   184.900   15.666 0.000000 15.66558 
1 1 1   14    5   11 o  285.118   10.035  105.951   7.4111   90.320   11.280  117.824   9.8307  261.277   16.755  300.115   12.646 -38.83792 20.99149 
1 1 1   14    5   12 o  349.281   8.7897  158.810   7.9524  163.290   10.825  153.558   11.721  353.448   11.823  342.363   13.217 11.08484 17.73384 
1 1 1   14    5   13 o  193.714   9.5691   48.909   4.8015   41.200   9.6245   51.463   5.5403  174.299   21.794  198.245   10.830 -23.94624 24.33624 
1 1 1   14    5   14 o  259.337   8.9660   87.615   6.0230  105.400   12.376   82.095   6.8946  281.834   17.032  250.743   10.615 31.09171 20.06950 
1 1 1   14    5   15 o  279.213   10.897  101.889   7.8813   96.340   12.705  105.361   10.048  268.707   18.363  283.190   13.698 -14.48297 22.90975 
1 1 1   14    5   16 o   73.388   18.431   7.4415   3.4989  -3.3060   7.6221   10.311   3.9383   55.367   24.998   86.543   18.148 -31.17586 30.89126 
1 1 1   14    5   17 o  219.497   12.058   63.369   6.8294   68.490   11.054   60.208   8.6853  225.689   19.087  212.741   15.875 12.94814 24.82648 
1 1 1   14    5   18 o  190.336   11.519   47.668   5.6525   32.370   10.138   54.568   6.8090  151.254   26.860  203.272   13.000 -52.01868 29.84065 
1 1 1   14    5   19 o  208.118   10.534   56.863   5.6600   64.310   11.375   54.413   6.5251  217.476   20.432  203.024   12.468 14.45160 23.93593 
1 1 1   14    5   20 o  199.334   11.246   52.331   5.7828   56.180   11.343   50.980   6.7220  201.978   22.038  196.082   13.313 5.895767 25.74756 
1 1 1   14    5   21 o  160.899   12.608   34.360   5.2128   36.470   10.108   33.595   6.0843  160.391   25.157  158.294   15.018 2.096466 29.29869 
1 1 1   14    5   22 o  100.277   22.468   14.348   5.6913   23.180   9.6567   9.6470   7.0448  124.439   30.253   83.222   27.816 41.21705 41.09686 
1 1 1   14    5   23 o  192.149   12.174   48.984   6.0278   42.470   12.174   51.099   6.9378  170.090   28.651  195.624   13.780 -25.53436 31.79229 
1 1 1   14    5   24 o  134.387   15.532   24.510   5.3072   21.820   11.088   25.310   6.0446  117.790   34.273  135.735   17.607 -17.94517 38.53124 
1 1 1   14    5   25 o   33.455   16.174  -6.4173   4.2647  -3.7430   8.6392  -7.2790   4.9039   57.125   26.113   35.881   17.346 21.24398 31.34898 
1 1 1   14    5   26 o   49.575   22.244  -1.7437   5.9279   3.6780   10.962  -3.9843   7.0472   75.306   32.054   50.541   23.280 24.76502 39.61578 
1 1 1   14    5   27 o   85.914   24.850   10.929   5.8443   4.8650   11.935   12.842   6.7029   78.847   33.501   92.389   26.580 -13.54158 42.76510 
1 1 1   14    5   28 o  225.405   11.360   67.595   6.6113   64.109   9.7028   70.617   9.0328  215.613   17.524  227.914   15.390 -12.30101 23.32321 
1 1 1   14    5   29 o  130.664   16.532   23.675   5.4701   16.617   7.6586   31.024   7.8155  103.203   27.956  146.984   21.136 -43.78091 35.04679 
1 1 1   14    5   30 o  115.793   19.292   19.213   5.5827   16.919   8.0171   21.372   7.7786  102.878   28.894  117.834   26.166 -14.95586 38.98133 
1 1 1   14    5   31 o   67.154   28.002   4.2101   8.0957   4.2101   8.0957   0.0000   0.0000   67.154   28.002  ?   ?  0.000000 28.00165 
1 1 1   14    5   32 o  100.917   30.303   17.116   8.5570   23.010   12.267   11.530   11.943  111.039   36.688   86.146   34.740 24.89207 50.52650 
1 1 1   14    5   33 f   58.184   24.194   2.9222   6.0201  -0.3637   8.7500   5.8758   8.2957   59.605   26.860   69.988   28.681 -10.38301 39.29437 
1 1 1   14    5   34 f   55.348   24.168   1.0852   6.5496   2.8270   11.628   0.2759   7.9264   69.968   31.290   57.937   25.878 12.03038 40.60459 
1 1 1   14    5   35 o  134.744   23.888   28.356   8.0321   19.927   9.8959   44.630   13.751  103.661   32.852  155.356   35.009 -51.69540 48.00891 
1 1 1   14    5   36 o  200.788   14.859   56.600   7.6734   54.888   11.282   58.073   10.468  187.007   23.832  196.246   20.914 -9.238876 31.70727 
1 1 1   14    5   37 o   82.202   26.917   11.714   6.6081   11.149   9.5411   12.235   9.1610   78.981   31.319   81.545   31.147 -2.564384 44.17031 
1 1 1   14    6    0 f  171.556   9.9717   38.419   4.4121   50.330   13.169   36.913   4.6827  192.202   27.212  168.031   10.816 24.17130 29.28300 
1 1 1   14    6    1 o  185.063   28.441   46.940   13.197   46.940   13.197   0.0000   0.0000  185.063   28.441  ?   ?  0.000000 28.44094 
1 1 1   14    6    2 o  375.613   20.167  186.700   19.550  186.700   19.550   0.0000   0.0000  375.613   20.167  ?   ?  0.000000 20.16689 
1 1 1   14    6    3 o  307.929   14.749  124.078   11.764  138.100   17.255  111.900   16.081  322.620   20.758  289.997   21.562 32.62271 29.92979 
1 1 1   14    6    4 o   86.419   29.003   9.5831   7.6589   26.240   12.038  -1.7450   9.9273  135.945   34.212   67.442   29.594 68.50397 45.23531 
1 1 1   14    6    5 o  221.478   17.008   64.815   9.6829   62.980   14.177   66.420   13.256  215.523   25.915  222.306   23.371 -6.783234 34.89650 
1 1 1   14    6    6 o  259.249   15.589   88.458   10.420   90.170   15.254   86.960   14.268  259.386   22.940  255.109   21.800 4.277557 31.64629 
1 1 1   14    6    7 o  250.022   15.920   82.395   10.257   91.770   14.840   73.820   14.193  261.881   22.083  234.092   23.734 27.78922 32.41832 
1 1 1   14    6    8 o  159.179   22.238   34.329   8.9188   35.460   12.537   33.170   12.691  158.585   31.629  152.766   33.032 5.819427 45.73301 
1 1 1   14    6    9 o  147.509   17.308   29.053   6.4876   0.0000   0.0000   29.053   6.4876  ?   ?   147.509   17.308 0.000000 17.30799 
1 1 1   14    6   10 f  178.790   15.997   42.382   7.3302   0.0000   0.0000   42.382   7.3302  ?   ?   178.790   15.997 0.000000 15.99689 
1 1 1   14    6   11 o  124.709   11.519   20.486   3.6791   21.622   4.5592   18.367   6.2293  127.648   14.019  115.610   21.595 12.03810 25.74706 
1 1 1   14    6   12 o   64.201   16.469   5.6424   2.7522   17.180   6.4006   3.0253   3.0484  111.287   22.965   51.262   18.242 60.02513 29.32879 
1 1 1   14    6   13 o  145.062   10.862   27.635   4.0518   29.510   8.2069   27.031   4.6592  146.872   22.270  143.096   12.702 3.776443 25.63817 
1 1 1   14    6   14 o  117.107   17.188   18.515   5.0588   12.220   8.1020   22.538   6.4763   94.059   29.716  128.571   20.105 -34.51181 35.87843 
1 1 1   14    6   15 o   36.914   17.305  -4.0905   4.1694  -8.7480   6.8866  -1.3954   5.2386   44.521   21.269   48.107   21.287 -3.586262 30.09160 
1 1 1   14    6   16 o  221.458   9.8006   64.037   5.6221   63.170   11.186   64.330   6.5031  216.294   20.199  221.371   11.379 -5.077118 23.18395 
1 1 1   14    6   17 o  121.718   17.579   20.093   5.3819   17.930   9.1019   21.256   6.6736  111.134   30.633  123.948   21.569 -12.81370 37.46471 
1 1 1   14    6   18 o  189.572   10.829   47.223   5.2955   39.340   10.491   49.918   6.1343  167.820   24.889  194.542   12.235 -26.72252 27.73346 
1 1 1   14    6   19 o   71.556   20.045   7.1158   3.8635  -3.3040   8.3264   9.9749   4.3615   57.710   26.085   84.358   20.223 -26.64805 33.00601 
1 1 1   14    6   20 o   58.073   20.558   4.0940   3.8668   1.7740   8.2437   4.7484   4.3783   66.150   27.960   62.037   21.885 4.113197 35.50654 
1 1 1   14    6   21 o  295.450   13.080  115.451   10.010  105.800   14.698  123.800   13.671  277.984   20.559  303.033   17.490 -25.04877 26.99193 
1 1 1   14    6   22 f   48.370   19.750   1.4385   3.9159  -6.5750   9.1541   3.2334   4.3323   55.705   25.958   56.074   21.419 -0.3693390 33.65418 
1 1 1   14    6   23 o  175.835   12.733   41.174   5.7603   47.370   12.066   39.345   6.5555  180.992   26.525  170.980   14.952 10.01218 30.44880 
1 1 1   14    6   24 o  111.618   18.309   17.333   5.1100   12.330   10.992   18.712   5.7716   93.306   34.438  115.326   20.048 -22.02054 39.84849 
1 1 1   14    6   25 o  210.593   13.864   59.461   7.5204   0.0000   0.0000   59.461   7.5204  ?   ?   210.593   13.864 0.000000 13.86388 
1 1 1   14    6   26 o   67.260   25.349   5.4192   6.0167   6.3950   10.716   4.9700   7.2709   79.477   32.587   69.002   27.347 10.47574 42.54180 
1 1 1   14    6   27 o  201.028   12.285   53.981   6.3666   49.430   12.703   55.507   7.3572  181.532   27.910  202.902   14.086 -21.37025 31.26267 
1 1 1   14    6   28 o   75.003   23.940   8.1707   5.2481   26.950   11.936   3.6702   5.8432  126.886   35.122   61.233   24.437 65.65266 42.78683 
1 1 1   14    6   29 o   83.317   22.366   10.313   4.9283   10.840   6.8234   9.7385   7.1256   84.338   27.338   80.894   27.958 3.444008 39.10259 
1 1 1   14    6   30 o  157.566   21.429   36.075   8.5191   0.0000   0.0000   36.075   8.5191  ?   ?   157.566   21.429 0.000000 21.42854 
1 1 1   14    6   31 o  229.763   13.949   72.029   8.2627   64.192   10.358   85.740   13.701  212.297   19.038  241.834   22.117 -29.53685 29.18270 
1 1 1   14    6   32 o   64.642   25.721   4.9522   6.4554  -0.2357   12.606   6.7961   7.5156   68.988   31.539   71.236   27.939 -2.248466 42.13435 
1 1 1   14    6   33 o  144.469   18.585   30.140   6.7935   31.532   10.296   29.067   9.0408  137.444   29.780  134.750   26.844 2.693954 40.09360 
1 1 1   14    6   34 o  137.145   22.078   28.506   7.5771   41.010   13.531   22.794   9.1455  148.615   35.614  114.722   30.319 33.89330 46.77164 
1 1 1   14    6   35 o   89.421   28.597   13.794   7.4857   23.396   9.3899  -2.9490   12.400  114.590   30.920   63.518   29.798 51.07124 42.94096 
1 1 1   14    6   36 o   60.771   24.900   4.3343   6.2509   5.3885   9.3697   3.4888   8.3912   68.267   29.360   63.231   27.487 5.036846 40.21891 
1 1 1   14    6   37 o   94.336   26.564   15.452   6.7671   23.404   9.9952   8.7226   9.1952  108.995   32.756   73.263   30.130 35.73155 44.50569 
1 1 1   14    7    0 o  163.382   10.616   34.909   4.4685   46.190   13.380   33.492   4.7407  183.058   29.198  159.880   11.524 23.17810 31.39026 
1 1 1   14    7    1 o  432.761   20.053  247.400   22.478  247.400   22.478   0.0000   0.0000  432.761   20.053  ?   ?  0.000000 20.05251 
1 1 1   14    7    2 f  224.161   25.169   67.900   14.362   67.900   14.362   0.0000   0.0000  224.161   25.169  ?   ?  0.000000 25.16875 
1 1 1   14    7    3 o  161.053   23.673   35.219   9.5812   44.630   13.755   26.350   13.354  179.185   30.742  135.647   36.986 43.53864 48.09448 
1 1 1   14    7    4 o  304.226   15.064  121.296   11.871  130.800   17.174  112.600   16.427  313.425   21.279  290.428   21.999 22.99728 30.60693 
1 1 1   14    7    5 o  365.547   14.220  174.956   13.464  183.000   19.413  167.500   18.690  371.280   20.262  355.102   20.405 16.17847 28.75642 
1 1 1   14    7    6 o  342.957   14.430  154.108   12.819  157.800   18.233  150.500   18.025  344.452   20.529  336.248   20.798 8.204193 29.22288 
1 1 1   14    7    7 o  127.522   27.259   22.727   8.7311   16.300   12.710   28.470   12.015  110.157   37.360  141.158   33.383 -31.00082 50.10169 
1 1 1   14    7    8 o  306.039   15.669  123.411   12.380  148.700   18.353  102.300   16.769  333.647   21.348  275.479   23.731 58.16879 31.92027 
1 1 1   14    7    9 o  348.390   14.321  159.241   12.924  162.300   18.459  156.300   18.100  348.820   20.520  342.298   20.509 6.522186 29.01178 
1 1 1   14    7   10 o  262.991   13.697   90.926   9.2982   0.0000   0.0000   90.926   9.2982  ?   ?   262.991   13.697 0.000000 13.69663 
1 1 1   14    7   11 o  222.138   8.8781   64.258   5.1085   58.780   9.6002   66.422   6.0337  210.041   17.813  225.632   10.324 -15.59135 20.58838 
1 1 1   14    7   12 f  279.298   8.8406  101.601   6.3959  103.600   12.623  100.911   7.4187  279.229   17.542  278.069   10.300 1.159332 20.34181 
1 1 1   14    7   13 o  135.348   15.834   24.483   5.4463   23.810   8.8163   24.899   6.9258  129.903   27.079  135.176   20.416 -5.273285 33.91258 
1 1 1   14    7   14 f  145.159   15.107   28.066   5.5972   33.760   8.7906   24.184   7.2587  157.036   22.232  132.596   21.898 24.43990 31.20558 
1 1 1   14    7   15 o  168.836   10.822   37.430   4.7080   48.160   9.8711   34.270   5.3565  188.529   20.546  161.040   12.950 27.48970 24.28675 
1 1 1   14    7   16 o  124.375   22.848   21.537   7.0898   0.0000   0.0000   21.537   7.0898  ?   ?   124.375   22.848 0.000000 22.84850 
1 1 1   14    7   17 o  106.430   15.473   15.294   4.1408   5.4030   8.8633   18.056   4.6833   76.285   30.206  115.637   16.070 -39.35209 34.21496 
1 1 1   14    7   18 o   79.370   19.469   8.7977   3.9723   4.0950   8.0968   10.288   4.5586   71.005   28.615   85.622   20.767 -14.61742 35.35664 
1 1 1   14    7   19 o   37.157   16.886  -1.9547   3.5464   0.5738   8.1830  -2.5394   3.9352   63.689   27.415   38.282   17.545 25.40771 32.54848 
1 1 1   14    7   20 o  213.099   14.441   60.542   7.9242   43.970   11.830   74.030   10.672  175.287   26.915  234.102   17.731 -58.81448 32.23029 
1 1 1   14    7   21 o   55.173   21.084   3.0972   4.1991  -7.8140   8.8939   6.2272   4.7635   53.311   25.082   68.313   22.873 -15.00250 33.94486 
1 1 1   14    7   22 o   65.385   21.163   5.8020   4.0902   11.300   9.5070   4.5531   4.5309   90.034   32.196   61.326   22.190 28.70786 39.10233 
1 1 1   14    7   23 o  141.833   14.337   27.100   5.1948   21.740   10.813   28.709   5.9230  117.746   33.728  145.352   15.996 -27.60635 37.32875 
1 1 1   14    7   24 o  244.922   11.897   79.442   7.5478   63.300   14.256   85.729   8.8972  208.138   27.084  253.237   13.614 -45.09909 30.31259 
1 1 1   14    7   25 o   76.082   23.851   8.2907   5.2295   0.0000   0.0000   8.2907   5.2295  ?   ?    76.082   23.851 0.000000 23.85140 
1 1 1   14    7   26 o  175.286   13.345   41.275   6.0135   17.130   13.010   47.836   6.7815  103.479   37.577  188.444   13.993 -84.96446 40.09745 
1 1 1   14    7   27 o  140.102   15.796   26.922   5.6324   42.590   12.318   22.780   6.3333  166.444   29.657  126.680   19.961 39.76379 35.74899 
1 1 1   14    7   28 o  135.458   17.434   25.589   5.9753   2.6370   12.479   32.417   6.8063   75.266   33.100  152.606   17.537 -77.34019 37.45834 
1 1 1   14    7   29 o  146.662   16.290   29.820   6.0841   36.610   11.832   27.379   7.0937  150.646   31.343  137.936   20.475 12.70995 37.43819 
1 1 1   14    7   30 f  114.279   21.053   19.173   6.0025   31.740   12.535   15.434   6.8374  134.420   35.480   99.208   26.213 35.21265 44.11343 
1 1 1   14    7   31 f   66.878   27.637   4.6194   7.7853   5.2410   11.509   4.0950   10.571   74.889   32.373   71.435   30.952 3.454323 44.78910 
1 1 1   14    7   32 o  107.818   22.952   17.786   6.2133   30.289   9.1900   7.2584   8.4328  138.201   26.637   73.316   29.324 64.88535 39.61590 
1 1 1   14    7   33 o  105.407   23.492   17.287   6.2504   18.882   8.8228   15.681   8.8560  104.119   30.652   94.559   31.170 9.560799 43.71674 
1 1 1   14    7   34 o   42.305   20.382  -7.5261   6.6334 -17.3100   12.528  -3.7144   7.8195   52.483   25.864   51.310   23.937 1.173321 35.24113 
1 1 1   14    7   35 o   86.670   26.775   12.677   6.6175   5.5281   9.6785   18.953   9.0685   69.506   29.865  101.637   31.335 -32.13132 43.28709 
1 1 1   14    7   36 o  106.789   24.144   18.535   6.5220   26.697   9.5824   11.490   8.9022  121.433   30.504   80.213   30.688 41.21946 43.26964 
1 1 1   14    7   37 o   46.488   21.831  -3.4925   6.6854  -1.9553   10.201  -4.6499   8.8512   57.898   27.118   51.644   24.512 6.253788 36.55475 
1 1 1   14    8    0 o  234.413   9.6019   71.519   5.8303   93.030   16.214   68.324   6.2483  262.973   24.069  229.004   10.533 33.96889 26.27316 
1 1 1   14    8    1 o  402.855   8.9040  211.090   9.2914  229.700   21.876  206.994   10.263  416.553   20.275  398.720   9.9371 17.83304 22.57890 
1 1 1   14    8    2 f  283.545   23.438  107.900   17.060  107.900   17.060   0.0000   0.0000  283.545   23.438  ?   ?  0.000000 23.43773 
1 1 1   14    8    3 o  242.760   26.694   80.170   16.508   80.170   16.508   0.0000   0.0000  242.760   26.694  ?   ?  0.000000 26.69377 
1 1 1   14    8    4 o  309.375   15.823  126.036   12.637  133.800   18.068  118.600   17.682  316.317   22.192  297.311   23.142 19.00632 32.06345 
1 1 1   14    8    5 o   87.016   30.383   9.4641   8.4258   0.3757   12.085   18.060   11.753   77.402   33.317  113.724   35.775 -36.32178 48.88594 
1 1 1   14    8    6 o  157.709   23.556   33.938   9.3282   36.500   13.304   31.460   13.083  160.115   33.168  147.880   34.744 12.23447 48.03396 
1 1 1   14    8    7 o  202.939   19.660   55.094   10.205   44.800   14.139   66.290   14.745  178.246   31.788  220.152   26.381 -41.90593 41.30916 
1 1 1   14    8    8 o   71.139   29.401   2.6421   8.8125   1.1140   12.494   4.1550   12.432   79.431   34.025   84.260   34.880 -4.829407 48.72694 
1 1 1   14    8    9 o  241.963   16.943   77.650   10.552   96.090   15.010   59.630   14.838  267.293   21.871  207.418   28.360 59.87538 35.81406 
1 1 1   14    8   10 o  291.373   8.9611  110.576   6.7633  114.371   9.9346  107.298   9.2335  295.421   12.982  286.275   12.452 9.146240 17.98864 
1 1 1   14    8   11 o   71.054   16.151   6.9206   2.9053   17.250   6.3002   4.1308   3.2742  111.507   22.587   57.061   18.960 54.44522 29.48945 
1 1 1   14    8   12 o  147.908   14.817   29.080   5.6005   22.040   9.0606   33.433   7.1244  124.342   28.712  157.868   17.729 -33.52569 33.74421 
1 1 1   14    8   13 o  180.969   13.426   43.251   6.2487   30.650   10.147   50.948   7.9308  147.411   27.589  195.809   15.770 -48.39790 31.77837 
1 1 1   14    8   14 o  269.877   9.3202   95.018   6.5154   90.220   12.906   96.659   7.5477  259.228   19.361  271.880   10.717 -12.65152 22.12901 
1 1 1   14    8   15 o  161.928   11.313   34.507   4.7154   24.410   9.5458   37.766   5.4233  130.256   29.033  169.158   12.465 -38.90155 31.59613 
1 1 1   14    8   16 o  184.544   17.604   45.772   8.3132   0.0000   0.0000   45.772   8.3132  ?   ?   184.544   17.604 0.000000 17.60423 
1 1 1   14    8   17 o  172.563   11.589   39.259   5.1500   37.680   10.359   39.777   5.9356  163.851   25.215  173.215   13.331 -9.363815 28.52227 
1 1 1   14    8   18 o   73.519   23.287   7.3875   4.9727   10.310   8.5281   5.8820   6.1210   87.576   30.568   70.317   25.738 17.25863 39.96062 
1 1 1   14    8   19 o  100.421   22.035   14.281   5.5743   10.120   8.7996   17.070   7.2040   87.050   30.991  108.593   25.963 -21.54322 40.42925 
1 1 1   14    8   20 o   95.473   17.944   12.643   4.2746   4.4900   8.8005   15.161   4.8903   73.029   29.690  104.486   18.758 -31.45699 35.11877 
1 1 1   14    8   21 o   66.354   21.390   5.9896   4.1815   1.3720   8.8537   7.3152   4.7439   66.666   28.602   72.482   22.716 -5.816315 36.52529 
1 1 1   14    8   22 o  170.877   12.492   38.875   5.4910   43.160   11.854   37.705   6.1958  171.756   27.577  167.520   14.419 4.235855 31.11948 
1 1 1   14    8   23 o  239.882   10.910   75.917   6.7790   80.950   14.074   74.397   7.7355  239.474   22.971  236.399   12.679 3.074890 26.23756 
1 1 1   14    8   24 o   68.332   22.189   6.4752   4.4940   5.5290   11.025   6.6637   4.9214   78.750   32.744   69.598   23.249 9.152336 40.15836 
1 1 1   14    8   25 o   84.050   28.665   10.273   7.4829   0.0000   0.0000   10.273   7.4829  ?   ?    84.050   28.665 0.000000 28.66523 
1 1 1   14    8   26 f   52.292   21.695   1.6291   4.8248  -4.3000   11.111   3.0070   5.3561   63.520   29.248   58.088   23.321 5.431648 37.40775 
1 1 1   14    8   27 o  297.480   12.205  118.047   9.4048  108.600   17.150  122.109   11.247  272.825   24.530  300.817   14.434 -27.99243 28.46125 
1 1 1   14    8   28 o  126.837   18.382   22.716   5.8633   28.550   12.420   21.043   6.6511  128.721   35.897  119.784   22.255 8.937424 42.23625 
1 1 1   14    8   29 o   58.647   23.416   3.4729   5.3675  -6.2350   11.055   6.4672   6.1398   59.800   28.080   69.272   25.704 -9.472126 38.06791 
1 1 1   14    8   30 o  104.100   27.696   17.413   7.5987   7.1030   11.020   26.760   10.492   77.641   32.545  125.724   32.105 -48.08247 45.71574 
1 1 1   14    8   31 o   96.755   24.008   14.544   5.9883   13.690   13.079   14.770   6.7358   90.110   36.349   96.034   26.303 -5.924538 44.86782 
1 1 1   14    8   32 o  164.286   15.770   37.827   6.6286   38.870   13.132   37.471   7.6786  146.368   35.092  161.055   18.757 -14.68674 39.79011 
1 1 1   14    8   33 o  180.473   18.760   47.253   8.6416   29.540   14.988   56.075   10.577  116.583   40.533  193.648   21.446 -77.06548 45.85666 
1 1 1   14    8   34 o  122.630   25.546   24.275   7.8511   28.390   13.538   22.189   9.6371  115.665   38.559  110.276   31.914 5.389381 50.05288 
1 1 1   14    8   35 o   57.178   24.262   2.8174   6.2455  -8.5414   9.2993   12.151   8.4297   49.860   24.050   82.698   30.215 -32.83860 38.61755 
1 1 1   14    8   36 o  107.099   24.736   18.980   6.7239   28.214   10.135   11.721   8.9860  122.614   31.684   80.088   30.787 42.52546 44.17816 
1 1 1   14    9    0 o  370.441   9.2491  178.620   8.8751  154.500   20.216  184.378   9.8778  339.391   23.133  376.176   10.137 -36.78555 25.25713 
1 1 1   14    9    1 o   99.668   14.601   13.292   3.6578  -6.8490   13.617   14.858   3.7974   72.326   32.954  105.558   14.252 -33.23270 35.90367 
1 1 1   14    9    2 o  286.677   9.2252  106.979   6.8504  112.900   17.603  105.923   7.4367  289.592   23.673  285.120   10.069 4.471252 25.72583 
1 1 1   14    9    3 o  324.278   9.7902  136.982   8.2235  159.300   20.084  132.487   9.0138  344.747   22.616  318.689   10.919 26.05814 25.11434 
1 1 1   14    9    4 o  364.062   9.7818  172.675   9.2245  165.500   20.957  174.399   10.273  351.004   23.180  365.629   10.847 -14.62506 25.59273 
1 1 1   14    9    5 o   59.873   27.110  -4.2876   9.0389   11.030   13.022 -18.5300   12.557   98.623   37.262   57.460   27.772 41.16361 46.47334 
1 1 1   14    9    6 o   59.948   26.940  -3.4189   8.7321  -7.2750   12.588   0.1578   12.123   68.366   31.351   76.878   33.229 -8.512001 45.68431 
1 1 1   14    9    7 o  157.518   12.039   32.633   4.8749   62.260   14.269   28.718   5.1871  212.896   26.444  147.355   13.748 65.54111 29.80436 
1 1 1   14    9    8 o  120.710   14.395   19.403   4.4122   26.100   14.526   18.722   4.6310  133.123   39.370  118.291   15.486 14.83206 42.30630 
1 1 1   14    9    9 o  158.656   11.388   33.071   4.6488   26.269   7.2211   37.886   6.0751  138.908   20.701  169.288   13.979 -30.37915 24.97909 
1 1 1   14    9   10 o  139.160   11.917   25.527   4.2544   33.923   7.0280   20.671   5.3450  159.186   17.324  123.895   17.112 35.29095 24.35017 
1 1 1   14    9   11 o  214.669   15.501   61.096   8.5616   57.320   10.403   69.020   15.071  206.431   19.694  223.499   26.552 -17.06732 33.05868 
1 1 1   14    9   12 o  189.281   13.048   47.256   6.3582   44.170   10.392   49.102   8.0383  179.657   22.848  192.000   16.317 -12.34241 28.07642 
1 1 1   14    9   13 o  320.019   9.1206  133.577   7.5604  110.400   14.721  141.881   8.8113  286.523   19.959  329.491   10.324 -42.96774 22.47119 
1 1 1   14    9   14 f  124.894   13.360   20.747   4.2551   15.620   9.2376   22.127   4.7940  104.248   31.526  128.698   14.641 -24.44946 34.76024 
1 1 1   14    9   15 o   51.853   20.179   2.3820   3.8971   0.0000   0.0000   2.3820   3.8971  ?   ?    51.853   20.179 0.000000 20.17925 
1 1 1   14    9   16 f  199.554   10.860   52.339   5.5927   47.180   11.102   54.093   6.4742  184.405   23.797  202.436   12.406 -18.03061 26.83705 
1 1 1   14    9   17 o  112.609   19.566   17.533   5.5002   4.5880   9.4100   24.250   6.7786   75.460   30.692  132.557   20.396 -57.09721 36.85059 
1 1 1   14    9   18 o   55.910   20.742   3.4481   3.9974   15.590   9.0877   0.5351   4.4512  102.853   31.307   48.444   20.515 54.40823 37.42939 
1 1 1   14    9   19 o  137.760   13.966   25.419   4.9146   14.510   9.7901   29.094   5.6825   99.443   32.773  147.068   15.133 -47.62450 36.09756 
1 1 1   14    9   20 o   61.513   21.526   4.7828   4.2305 -10.3600   9.0685   8.9951   4.7829   51.059   24.396   79.458   22.318 -28.39890 33.06430 
1 1 1   14    9   21 o   46.033   19.498   0.5282   4.0224 -10.5000   8.7763   3.4610   4.5258   49.655   23.799   57.364   21.897 -7.708107 32.33932 
1 1 1   14    9   22 o   52.265   21.179   1.9947   4.4617   10.550   9.4639  -0.4502   5.0592   87.407   32.002   48.476   21.203 38.93135 38.38872 
1 1 1   14    9   23 o   88.486   20.914   11.259   4.7178  -6.1520   10.320   15.858   5.3046   59.516   27.677  105.735   20.102 -46.21897 34.20697 
1 1 1   14    9   24 o   67.849   23.017   6.2753   4.8242   8.3210   10.958   5.7836   5.3729   83.603   33.431   67.027   24.178 16.57565 41.25778 
1 1 1   14    9   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    9   26 o   65.442   23.409   5.6378   5.0260  -4.6440   12.102   7.7810   5.5251   65.531   30.298   73.780   24.634 -8.249031 39.04889 
1 1 1   14    9   27 o   91.875   23.556   12.648   5.6326   4.5810   12.468   14.716   6.3135   77.904   33.685   98.598   24.756 -20.69424 41.80397 
1 1 1   14    9   28 o  162.422   15.336   36.278   6.3757   34.200   13.463   36.878   7.2389  139.592   36.735  162.391   17.485 -22.79889 40.68430 
1 1 1   14    9   29 o   72.044   27.644   6.9704   7.2370   2.8140   11.851   9.4420   9.1389   72.530   32.060   80.478   31.018 -7.947647 44.60886 
1 1 1   14    9   30 o   62.498   24.522   4.6450   5.7919   15.120   11.334   0.9424   6.7383   93.266   34.861   56.289   24.548 36.97701 42.63663 
1 1 1   14    9   31 o   62.789   24.833   4.7392   5.9842 -25.3900   11.158   16.903   7.0899   44.666   22.393  102.280   26.534 -57.61425 34.72067 
1 1 1   14    9   32 o  104.609   24.731   17.383   6.5956   21.130   13.449   16.196   7.5682  102.098   38.011   98.092   28.251 4.005692 47.35970 
1 1 1   14    9   33 o   78.031   26.429   9.8899   6.3608   16.930   12.310   7.3256   7.4295   93.193   35.976   70.968   27.794 22.22492 45.46229 
1 1 1   14    9   34 f   59.270   27.118  -0.5822   9.3453   0.0000   0.0000  -0.5822   9.3453  ?   ?    59.270   27.118 0.000000 27.11809 
1 1 1   14    9   35 o  154.255   21.031   36.401   8.1843   35.610   14.333   36.784   9.9693  125.844   39.493  148.231   26.957 -22.38644 47.81643 
1 1 1   14    9   36 o   40.250   19.439  -6.7827   6.1215   0.3027   9.0587 -12.7376   8.3046   58.323   26.690   42.482   20.958 15.84185 33.93553 
1 1 1   14   10    0 o  283.128   9.7207  104.453   7.1291  137.800   19.044   99.019   7.6880  319.966   23.134  275.474   10.774 44.49213 25.51990 
1 1 1   14   10    1 o  105.502   14.682   14.885   3.9036   33.980   13.920   13.255   4.0668  153.037   35.760   99.057   16.425 53.98028 39.35157 
1 1 1   14   10    2 o  510.384   9.3129  339.285   12.312  372.100   28.702  331.886   13.630  528.479   20.967  504.427   10.431 24.05252 23.41876 
1 1 1   14   10    3 o  140.523   12.099   26.008   4.3610   34.970   15.285   25.214   4.5501  154.133   38.419  138.195   12.858 15.93732 40.51378 
1 1 1   14   10    4 o  415.475   10.136  225.119   10.909  251.400   24.712  218.758   12.158  432.982   22.107  409.168   11.471 23.81433 24.90591 
1 1 1   14   10    5 o  234.937   10.352   72.016   6.2995   59.310   17.498   73.908   6.7523  203.691   34.388  237.898   10.957 -34.20720 36.09145 
1 1 1   14   10    6 o  182.256   10.063   43.459   4.7323   35.450   14.957   44.350   4.9886  155.047   37.623  184.037   10.508 -28.99022 39.06325 
1 1 1   14   10    7 o  287.480   11.677  108.102   8.6953   88.570   18.116  113.949   9.9117  253.030   28.115  294.810   12.979 -41.77992 30.96622 
1 1 1   14   10    8 o   27.721   13.308  -3.9825   2.7703  -1.4926   5.6777  -4.7605   3.1737   50.105   22.167   29.312   14.116 20.79329 26.28016 
1 1 1   14   10    9 o  250.033   10.110   81.610   6.5476   78.911   9.7725   83.808   8.8199  244.096   15.537  252.243   13.548 -8.147308 20.61429 
1 1 1   14   10   10 o  165.770   16.387   36.686   6.9443   39.862   8.0482   27.430   13.738  172.241   18.320  135.623   37.730 36.61798 41.94220 
1 1 1   14   10   11 f  102.567   23.707   14.788   6.1724   12.142   7.0238   23.760   12.934   92.917   27.348  126.519   37.075 -33.60198 46.07017 
1 1 1   14   10   12 o   76.167   18.482   8.0351   3.6093   6.8050   8.2737   8.3243   4.0111   78.517   29.693   77.400   19.897 1.117065 35.74297 
1 1 1   14   10   13 o  331.842   9.3120  143.751   8.0043  115.500   15.725  153.632   9.2993  292.186   20.915  342.699   10.476 -50.51309 23.39165 
1 1 1   14   10   14 o  123.381   13.790   20.312   4.3319   6.4960   9.4944   23.944   4.8681   80.235   31.421  133.953   14.249 -53.71748 34.50103 
1 1 1   14   10   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   10   16 o  313.447   12.786  129.514   10.381  113.100   15.689  142.300   13.846  287.885   21.188  326.324   16.434 -38.43823 26.81372 
1 1 1   14   10   17 o  116.427   14.650   18.255   4.3204   18.840   9.1913   18.089   4.8948  112.564   30.683  115.177   16.910 -2.613663 35.03383 
1 1 1   14   10   18 o   50.299   19.894   2.0972   3.8403   1.1140   8.7003   2.3351   4.2799   66.022   28.340   52.942   20.982 13.07981 35.26173 
1 1 1   14   10   19 o   50.594   20.101   2.0893   3.9372   5.5960   9.2122   1.3056   4.3550   76.161   30.582   49.968   20.661 26.19320 36.90775 
1 1 1   14   10   20 o   83.640   20.149   9.9468   4.3135   7.5000   10.369   10.459   4.7434   82.219   32.635   85.455   21.459 -3.235771 39.05819 
1 1 1   14   10   21 o  131.221   15.549   23.417   5.1823   12.390   11.327   26.336   5.8279   93.680   34.883  138.842   16.530 -45.16177 38.60141 
1 1 1   14   10   22 o  218.971   11.334   63.570   6.4065   32.910   13.740   72.087   7.2418  141.594   37.038  232.870   12.047 -91.27608 38.94832 
1 1 1   14   10   23 o  136.987   15.495   25.593   5.4015   17.330   11.225   28.083   6.1618  104.305   35.111  142.871   16.983 -38.56668 39.00233 
1 1 1   14   10   24 o   47.642   20.370   0.4681   4.4630  -0.1358   10.668   0.5962   4.9136   67.968   30.212   49.996   21.375 17.97189 37.00858 
1 1 1   14   10   25 o  120.156   27.356   22.055   8.3234   0.0000   0.0000   22.055   8.3234  ?   ?   120.156   27.356 0.000000 27.35610 
1 1 1   14   10   26 o  157.443   15.007   33.869   6.0462   36.190   13.845   33.322   6.7210  145.455   36.737  155.029   17.017 -9.573975 40.48666 
1 1 1   14   10   27 f  100.653   22.560   15.074   5.7364   22.860   13.102   13.228   6.3804  112.920   37.933   92.706   25.685 20.21391 45.81083 
1 1 1   14   10   28 o  114.195   27.334   20.581   7.9778   11.370   13.101   26.010   10.058   88.072   36.062  125.551   31.090 -37.48001 47.61327 
1 1 1   14   10   29 o   48.795   22.688  -3.9206   6.9312   9.1540   11.501 -11.3779   8.6858   81.582   33.641   46.758   22.717 34.82439 40.59245 
1 1 1   14   10   30 o   61.218   24.556   4.1700   5.9326   9.1260   12.460   2.7171   6.7463   81.459   34.400   59.757   25.278 21.70143 42.68840 
1 1 1   14   10   31 o   84.002   25.396   11.329   5.9950   29.050   12.723   6.2718   6.7967  122.125   37.015   68.067   26.605 54.05814 45.58388 
1 1 1   14   10   32 o   77.694   26.238   9.7407   6.2689   10.560   11.911   9.4268   7.3725   81.470   33.968   76.707   28.221 4.762993 44.16178 
1 1 1   14   10   33 o  150.113   23.517   35.177   8.8440   35.690   15.024   34.904   10.940  127.077   40.500  141.150   30.789 -14.07363 50.87472 
1 1 1   14   10   34 f   59.615   27.480  -0.8547   9.8441   0.0000   0.0000  -0.8547   9.8441  ?   ?    59.615   27.480 0.000000 27.47977 
1 1 1   14   10   35 o   75.929   27.632   9.9543   7.0400   4.2490   14.651   11.667   8.0276   71.742   33.229   80.232   29.459 -8.489433 44.40689 
1 1 1   14   10   36 o   64.629   25.924   6.2694   6.6119  -5.8440   13.311   10.238   7.6183   59.494   28.716   75.302   28.489 -15.80814 40.45047 
1 1 1   14   11    0 o   41.116   17.649  -0.1254   3.3744   14.820   13.727  -1.0867   3.4813  106.992   38.638   39.101   17.325 67.89082 42.34412 
1 1 1   14   11    1 o  202.619   10.892   53.772   5.6957   45.780   16.324   54.880   6.0777  177.027   36.799  204.567   11.517 -27.54057 38.55895 
1 1 1   14   11    2 o  127.607   13.538   21.597   4.4066   12.200   15.458   22.429   4.5974  104.230   40.294  129.992   13.868 -25.76244 42.61316 
1 1 1   14   11    3 o  210.354   10.476   57.767   5.7079   86.870   17.849   54.451   6.0243  250.665   27.966  203.757   11.461 46.90826 30.22307 
1 1 1   14   11    4 o  117.907   14.693   18.561   4.3901   20.830   15.462   18.362   4.5785  121.046   41.206  117.074   15.477 3.972282 44.01651 
1 1 1   14   11    5 o  164.069   12.215   35.444   5.1540   29.120   16.547   36.123   5.4238  139.072   42.224  165.522   12.748 -26.44936 44.10692 
1 1 1   14   11    6 o  203.744   13.597   54.762   7.1349   82.410   16.928   48.789   7.8679  244.116   27.236  191.580   16.001 52.53629 31.58829 
1 1 1   14   11    7 o  246.857   10.576   79.622   6.7626   79.614   10.052   79.628   9.1407  245.004   15.925  245.537   14.435 -0.5336761 21.49389 
1 1 1   14   11    8 o  159.768   12.613   33.686   5.1774   34.480   7.9859   33.111   6.8001  159.566   19.743  157.217   16.967 2.348618 26.03173 
1 1 1   14   11    9 o   98.809   25.355   13.814   6.5216   12.505   7.3711   18.530   13.993   94.250   28.085  114.271   39.197 -20.02071 48.22008 
1 1 1   14   11   10 o   65.376   25.024   4.2830   5.9212   8.1418   6.6774  -9.9170   12.809   79.143   27.078   65.441   30.566 13.70187 40.83489 
1 1 1   14   11   11 o  115.670   16.566   18.087   4.8218   15.228   7.6229   19.994   6.2254  103.080   27.878  120.430   20.703 -17.35017 34.72438 
1 1 1   14   11   12 o   94.869   20.623   12.553   4.9232   20.510   9.0096   9.1658   5.8785  118.882   29.418   81.455   25.248 37.42660 38.76660 
1 1 1   14   11   13 o  256.623   13.437   87.042   8.9012   65.590   13.556  103.300   11.802  217.550   24.482  278.264   16.446 -60.71350 29.49320 
1 1 1   14   11   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   11   15 o   83.815   19.576   9.8400   4.1733   1.7500   9.1071   11.990   4.6953   68.891   29.267   92.508   20.164 -23.61658 35.54078 
1 1 1   14   11   16 o  118.762   15.692   19.094   4.7090   21.400   10.156   18.462   5.3149  119.267   32.145  115.868   18.317 3.399200 36.99751 
1 1 1   14   11   17 o  226.808   10.985   67.647   6.4536   51.640   13.408   72.475   7.3627  188.870   28.275  234.055   12.186 -45.18533 30.78942 
1 1 1   14   11   18 o   84.555   20.185   10.135   4.3599   1.0670   9.1691   12.784   4.9560   67.093   28.949   94.961   20.730 -27.86811 35.60597 
1 1 1   14   11   19 o  118.044   15.998   19.018   4.7657   16.330   10.752   19.676   5.3165  103.415   34.357  119.436   17.722 -16.02039 38.65874 
1 1 1   14   11   20 o   99.148   19.218   13.850   4.7573  -1.1580   10.629   17.609   5.3199   67.254   30.008  112.204   18.981 -44.95042 35.50689 
1 1 1   14   11   21 o  108.094   18.002   16.296   4.8631  -1.3180   10.923   20.651   5.4311   67.544   30.258  122.093   17.688 -54.54890 35.04862 
1 1 1   14   11   22 o  166.541   13.448   37.272   5.7519   26.260   12.791   40.064   6.4397  125.586   36.889  172.167   14.577 -46.58070 39.66460 
1 1 1   14   11   23 o  381.276   11.140  192.574   11.003  147.200   19.276  214.501   13.400  320.821   23.356  400.872   12.905 -80.05084 26.68358 
1 1 1   14   11   24 o  132.722   24.728   26.073   8.1884   0.0000   0.0000   26.073   8.1884  ?   ?   132.722   24.728 0.000000 24.72790 
1 1 1   14   11   25 o  135.353   16.792   25.422   5.7610   31.790   12.740   23.785   6.4591  137.198   35.558  129.159   19.949 8.039108 40.77158 
1 1 1   14   11   26 o   69.070   23.793   6.7221   5.1585   11.720   12.247   5.6442   5.6877   89.295   35.460   66.247   24.708 23.04756 43.21952 
1 1 1   14   11   27 o   82.286   29.256   10.349   7.8390 -15.1900   12.094   28.850   10.294   54.604   26.592  133.251   30.485 -78.64622 40.45304 
1 1 1   14   11   28 o  202.725   14.885   56.563   7.7616   48.550   13.282   60.718   9.5648  172.297   30.895  207.322   17.989 -35.02513 35.75052 
1 1 1   14   11   29 o   36.853   17.860  -7.4117   5.2807 -15.4800   10.091  -4.3686   6.1971   47.761   23.473   45.011   21.100 2.749981 31.56252 
1 1 1   14   11   30 o   82.234   25.631   10.833   6.0489   9.4460   11.365   11.381   7.1449   80.209   33.289   83.301   28.012 -3.091812 43.50680 
1 1 1   14   11   31 o  129.689   20.361   25.068   6.6147   23.990   14.115   25.371   7.4879  106.145   39.049  127.844   23.477 -21.69915 45.56306 
1 1 1   14   11   32 o   48.254   22.009  -1.5991   6.0941   7.9630   13.360  -4.1114   6.8480   77.713   34.210   47.186   22.139 30.52671 40.74878 
1 1 1   14   11   33 o   95.658   26.560   15.510   6.8151   6.7640   14.074   18.189   7.7891   75.733   34.102  102.005   28.421 -26.27263 44.39246 
1 1 1   14   11   34 o  127.052   26.423   27.143   8.4126   31.250   14.492   25.056   10.331  114.470   39.854  113.086   33.135 1.383629 51.82950 
1 1 1   14   11   35 o   48.333   22.430  -2.2100   6.7237   3.5580   14.110  -3.9046   7.6479   69.445   32.316   48.941   23.096 20.50434 39.72137 
1 1 1   14   12    0 f  214.762   21.116   62.350   11.595   0.0000   0.0000   62.350   11.595  ?   ?   214.762   21.116 0.000000 21.11637 
1 1 1   14   12    1 o   47.532   19.449   1.1825   3.8074   0.0000   0.0000   1.1825   3.8074  ?   ?    47.532   19.449 0.000000 19.44906 
1 1 1   14   12    2 o  207.460   11.899   56.546   6.3675   0.0000   0.0000   56.546   6.3675  ?   ?   207.460   11.899 0.000000 11.89888 
1 1 1   14   12    3 o  275.637   10.746   99.308   7.6727   0.0000   0.0000   99.308   7.6727  ?   ?   275.637   10.746 0.000000 10.74638 
1 1 1   14   12    4 f   66.466   19.921   5.9840   3.7005  -2.2740   17.096   6.3899   3.7904   85.836   38.196   68.450   20.074 17.38606 43.14949 
1 1 1   14   12    5 o  273.779   15.014   99.158   10.607  118.300   20.080   91.750   12.491  292.705   26.780  261.883   18.534 30.82147 32.56830 
1 1 1   14   12    6 o  223.819   12.733   65.966   7.3513   66.885   10.192   64.970   10.613  223.671   17.737  220.002   18.804 3.669037 25.84977 
1 1 1   14   12    7 o  148.743   15.961   29.593   6.0535   39.500   10.084   24.010   7.5691  169.228   23.650  131.509   23.060 37.71902 33.03192 
1 1 1   14   12    8 o   52.293   23.782  -3.6335   7.0501  -4.1820   8.0664  -1.8590   14.509   55.687   25.369   79.539   35.300 -23.85119 43.47032 
1 1 1   14   12    9 o   70.332   28.814   3.2840   8.3694   3.2840   8.3694   0.0000   0.0000   70.332   28.814  ?   ?  0.000000 28.81371 
1 1 1   14   12   10 o   55.345   22.236   2.2052   4.8730   2.4150   7.9921   2.0810   6.1479   67.184   27.902   59.987   24.649 7.196556 37.23039 
1 1 1   14   12   11 o  109.619   19.553   16.578   5.3485   17.327   8.2290   16.030   7.0378  109.317   28.697  105.835   25.886 3.481712 38.64679 
1 1 1   14   12   12 o   61.666   23.115   4.1128   4.9900   21.760   13.552   1.3449   5.3671  119.914   38.491   54.880   22.835 65.03477 44.75490 
1 1 1   14   12   13 o  129.364   31.656   24.860   10.521   15.280   14.112   36.850   15.787  105.467   39.002  153.405   39.494 -47.93768 55.50557 
1 1 1   14   12   14 o  126.870   14.759   21.631   4.7595   21.360   11.072   21.692   5.2715  118.730   34.163  126.503   16.478 -7.772728 37.92934 
1 1 1   14   12   15 o   82.692   20.146   9.6417   4.2754   12.630   10.082   8.9864   4.7209   94.854   33.229   79.677   22.100 15.17711 39.90684 
1 1 1   14   12   16 o   55.826   21.292   3.2040   4.2773   6.8060   9.5676   2.3042   4.7818   79.774   31.448   54.797   22.023 24.97631 38.39273 
1 1 1   14   12   17 o  135.357   14.856   24.720   5.1230   19.760   10.941   26.113   5.7979  112.892   34.348  138.538   16.480 -25.64634 38.09703 
1 1 1   14   12   18 o  165.281   13.234   36.513   5.6184   20.210   11.543   41.574   6.4317  113.175   35.428  176.017   14.228 -62.84176 38.17867 
1 1 1   14   12   19 o   60.140   22.189   4.2763   4.5623  -3.9400   10.174   6.3443   5.1043   61.971   28.332   68.814   23.670 -6.842728 36.91822 
1 1 1   14   12   20 o  114.865   18.124   18.387   5.2137   12.430   11.254   20.015   5.8832   92.996   34.742  119.201   19.745 -26.20473 39.96079 
1 1 1   14   12   21 o  131.676   16.055   23.773   5.3625   25.890   12.518   23.297   5.9346  124.840   36.444  129.337   18.219 -4.497398 40.74383 
1 1 1   14   12   22 o   85.952   21.835   10.790   4.8711  -4.0060   11.286   14.178   5.3999   64.409   29.591   98.762   21.700 -34.35365 36.69519 
1 1 1   14   12   23 o  137.994   15.558   26.107   5.4641   22.790   12.412   26.905   6.0855  115.689   36.805  139.261   17.238 -23.57204 40.64236 
1 1 1   14   12   24 o  138.936   23.706   28.424   8.2254   0.0000   0.0000   28.424   8.2254  ?   ?   138.936   23.706 0.000000 23.70617 
1 1 1   14   12   25 o   74.400   24.110   8.1306   5.3076   15.020   12.362   6.5737   5.8768   95.993   36.297   69.535   25.255 26.45822 44.21865 
1 1 1   14   12   26 o   48.693   22.499  -3.5097   6.6574  -7.4470   11.344  -1.4410   8.2224   59.288   28.025   57.481   25.957 1.807129 38.19907 
1 1 1   14   12   27 o  177.617   14.116   43.198   6.4409   32.170   12.886   46.871   7.4365  133.534   36.301  183.844   15.769 -50.31085 39.57810 
1 1 1   14   12   28 o   71.591   25.132   7.6225   5.7685  -1.4370   11.935   10.384   6.5893   66.104   30.392   80.997   26.896 -14.89308 40.58393 
1 1 1   14   12   29 o   64.978   24.934   5.6364   5.8875  -3.9360   12.454   8.3915   6.6812   63.792   29.906   74.106   26.926 -10.31444 40.24109 
1 1 1   14   12   30 o   68.409   25.339   6.8788   5.9612   12.550   13.162   5.4153   6.6863   85.586   35.697   65.280   26.110 20.30602 44.22735 
1 1 1   14   12   31 f   73.405   26.269   8.5533   6.3299   3.8500   13.571   9.8612   7.1561   72.766   33.055   77.442   27.908 -4.676720 43.26020 
1 1 1   14   12   32 o  109.530   23.636   19.143   6.5092   17.520   12.902   19.697   7.5390   91.975   36.436  107.894   27.031 -15.91920 45.36817 
1 1 1   14   12   33 o   43.788   21.161  -7.8096   7.2826   0.0000   0.0000  -7.8096   7.2826  ?   ?    43.788   21.161 0.000000 21.16106 
1 1 1   14   12   34 o   68.307   26.804   7.3776   6.9203   6.0670   14.470   7.7663   7.8799   72.763   33.458   69.898   28.208 2.864433 43.76182 
1 1 1   14   12   35 o   91.603   27.222   15.326   6.9319   4.6250   13.529   19.135   8.0720   68.800   31.889  100.312   29.259 -31.51249 43.27795 
1 1 1   14   13    0 o  123.143   18.798   20.654   5.8061   17.830   16.595   21.048   6.1979  114.692   42.318  123.962   19.981 -9.269676 46.79820 
1 1 1   14   13    1 o   77.737   31.742   4.3983   10.115   22.740   15.716  -8.5720   13.216  123.982   41.546   68.119   31.554 55.86340 52.16957 
1 1 1   14   13    2 o  192.418   16.208   49.367   8.0031   31.190   16.638   54.839   9.1286  142.271   42.150  202.369   17.589 -60.09830 45.67242 
1 1 1   14   13    3 o  193.743   12.537   49.481   6.2583   57.990   17.857   48.290   6.6821  198.444   36.067  191.095   13.588 7.349503 38.54143 
1 1 1   14   13    4 o  392.394   14.032  202.901   14.262  209.300   23.766  199.300   17.830  391.895   23.520  386.883   17.792 5.012207 29.49145 
1 1 1   14   13    5 o  324.071   11.627  137.677   9.7602  137.736   12.965  137.600   14.828  322.628   15.514  320.884   17.911 1.744385 23.69545 
1 1 1   14   13    6 o  288.179   11.984  108.979   8.9456  116.281   12.019   99.910   13.394  295.895   15.738  272.614   19.088 23.28162 24.73941 
1 1 1   14   13    7 o  108.428   28.430   16.970   8.0830   16.970   8.0830   0.0000   0.0000  108.428   28.430  ?   ?  0.000000 28.43025 
1 1 1   14   13    8 f  149.234   21.166   30.604   7.9527   38.948   9.0940   3.4810   16.397  168.594   21.299   90.385   38.855 78.20914 44.30956 
1 1 1   14   13    9 o  182.280   17.147   44.652   8.0011   0.0000   0.0000   44.652   8.0011  ?   ?   182.280   17.147 0.000000 17.14727 
1 1 1   14   13   10 o  167.072   16.590   37.516   7.0849   29.740   16.921   39.169   7.8017  136.950   42.899  170.225   17.965 -33.27509 46.50898 
1 1 1   14   13   11 o  128.103   30.658   24.221   10.038   25.440   14.905   23.210   13.578  127.743   40.301  122.913   38.416 4.829720 55.67712 
1 1 1   14   13   12 o  255.244   11.073   85.554   7.3213   83.350   10.961   87.329   9.8378  249.055   17.094  256.059   14.897 -7.003998 22.67386 
1 1 1   14   13   13 o  313.715   10.355  129.100   8.4147  112.983   12.360  143.024   11.488  290.237   16.509  328.750   13.491 -38.51312 21.31981 
1 1 1   14   13   14 o  228.810   13.054   69.478   7.7049   63.760   13.912   72.008   9.2536  211.912   25.882  231.823   15.499 -19.91068 30.16844 
1 1 1   14   13   15 f  167.308   13.088   37.300   5.6270   17.570   12.097   42.747   6.3565  107.403   36.448  178.892   13.825 -71.48879 38.98194 
1 1 1   14   13   16 o   65.132   22.420   5.5470   4.5798  -3.1270   9.7609   7.9956   5.1861   62.135   28.150   75.416   23.770 -13.28059 36.84309 
1 1 1   14   13   17 o   61.434   22.248   4.6151   4.5562  -8.5260   9.5939   8.4419   5.1772   54.628   25.807   76.965   23.667 -22.33713 35.01648 
1 1 1   14   13   18 o   35.394   16.875  -5.1662   4.2908 -15.1900   10.306  -3.0642   4.7192   50.590   24.617   41.323   19.040 9.267071 31.12100 
1 1 1   14   13   19 o  172.397   13.190   39.850   5.8456   33.770   12.464   41.564   6.6187  145.764   33.686  175.373   14.706 -29.60902 36.75602 
1 1 1   14   13   20 o   81.872   22.881   9.8099   5.0405  -2.0870   11.005   12.968   5.6702   66.228   29.958   93.802   23.411 -27.57356 38.02017 
1 1 1   14   13   21 o  254.263   11.046   85.670   7.2753   61.430   14.745   93.471   8.3643  201.084   29.159  264.935   12.188 -63.85095 31.60386 
1 1 1   14   13   22 o  134.485   16.739   25.040   5.7050   25.200   13.268   25.004   6.3189  120.325   38.030  133.291   18.826 -12.96545 42.43438 
1 1 1   14   13   23 o  112.005   27.636   19.481   7.9686   0.0000   0.0000   19.481   7.9686  ?   ?   112.005   27.636 0.000000 27.63598 
1 1 1   14   13   24 o   87.968   22.838   11.590   5.2499   18.260   11.593   9.8693   5.8883  103.304   35.663   80.851   25.303 22.45374 43.72758 
1 1 1   14   13   25 o  161.722   21.833   38.178   8.9122   41.340   14.110   36.080   11.495  154.328   35.963  149.311   30.746 5.016876 47.31470 
1 1 1   14   13   26 o   70.451   24.475   7.2245   5.4642   9.7600   11.712   6.5191   6.1777   83.220   34.089   68.998   25.747 14.22276 42.71971 
1 1 1   14   13   27 o   96.548   23.546   14.409   5.8358   3.2680   12.484   17.524   6.6015   73.078   32.570  106.054   24.520 -32.97623 40.76832 
1 1 1   14   13   28 o   61.299   24.253   4.4858   5.7094   32.240   12.354  -3.0525   6.4382  131.883   35.415   47.720   22.076 84.16309 41.73166 
1 1 1   14   13   29 o   93.995   24.015   14.047   5.8686   8.7010   11.690   15.848   6.7856   78.297   33.206   98.304   26.180 -20.00765 42.28538 
1 1 1   14   13   30 o   65.163   25.159   5.9264   6.0206   1.2720   11.720   7.5950   7.0173   66.824   30.495   70.940   27.221 -4.115677 40.87730 
1 1 1   14   13   31 o  140.118   18.855   29.044   6.6695   30.110   13.275   28.685   7.7137  118.365   38.106  135.585   22.771 -17.21934 44.39154 
1 1 1   14   13   32 o   63.334   25.367   5.4335   6.3201   12.500   12.526   3.0200   7.3202   81.912   34.535   59.726   25.818 22.18563 43.11907 
1 1 1   14   13   33 o  106.527   33.668   23.239   10.399   0.0000   0.0000   23.239   10.399  ?   ?   106.527   33.668 0.000000 33.66808 
1 1 1   14   13   34 o  125.968   23.257   25.938   7.3091   7.0180   15.820   31.072   8.2414   73.199   34.115  137.086   24.088 -63.88718 41.76235 
1 1 1   14   14    0 o  177.235   12.850   41.529   5.8594   45.170   16.199   40.981   6.2849  173.179   37.220  175.747   13.920 -2.568527 39.73742 
1 1 1   14   14    1 o  304.601   10.326  121.389   8.1474  128.200   21.035  120.187   8.8372  303.251   27.063  302.799   11.267 0.4524841 29.31465 
1 1 1   14   14    2 o  162.313   13.289   34.918   5.5383   55.470   15.999   32.120   5.9032  195.260   32.796  155.179   14.868 40.08051 36.00863 
1 1 1   14   14    3 o  176.514   25.535   43.593   11.336   52.810   16.073   34.470   15.990  189.614   33.973  149.006   40.409 40.60840 52.79238 
1 1 1   14   14    4 o  289.665   18.138  112.565   13.541  118.300   18.812  106.400   19.505  292.477   25.074  275.370   27.722 17.10751 37.37913 
1 1 1   14   14    5 o  179.989   26.355   45.584   11.923   74.990   17.644   20.870   16.176  228.795   30.534  118.958   42.054 109.8374 51.97005 
1 1 1   14   14    6 o  287.088   20.090  111.598   14.846   96.650   20.010  129.900   22.141  260.067   30.270  303.395   28.508 -43.32800 41.58078 
1 1 1   14   14    7 o  124.195   41.657   23.690   15.800   23.690   15.800   0.0000   0.0000  124.195   41.657  ?   ?  0.000000 41.65698 
1 1 1   14   14    8 o   82.474   32.935   6.5854   10.619   8.7600   13.879   3.5140   16.494   92.910   37.456   89.903   38.809 3.006279 53.93640 
1 1 1   14   14    9 o  122.365   24.927   21.353   7.6325   25.284   8.9943   11.240   14.427  132.420   27.134   97.919   38.612 34.50096 47.19257 
1 1 1   14   14   10 o   65.030   23.414   5.1181   5.0359   15.164   7.7912  -2.0910   6.5999  101.851   28.441   52.568   23.537 49.28288 36.91712 
1 1 1   14   14   11 o  130.145   17.488   23.101   5.7464   15.855   9.1408   27.836   7.3891  103.445   31.378  141.719   20.743 -38.27422 37.61445 
1 1 1   14   14   12 o  113.218   18.960   17.757   5.3637   12.377   8.3895   21.476   6.9754   92.706   30.328  123.209   22.693 -30.50233 37.87759 
1 1 1   14   14   13 o   75.235   23.831   7.8907   5.2079   13.596   8.5990   4.5856   6.5446   96.130   30.640   67.060   26.136 29.06979 40.27284 
1 1 1   14   14   14 o  226.680   12.047   68.093   7.0485   60.746   10.398   74.339   9.5874  210.366   19.297  234.972   15.844 -24.60580 24.96855 
1 1 1   14   14   15 o  204.318   11.792   55.363   6.2143   43.540   13.363   58.626   7.0196  169.410   31.615  209.756   12.983 -40.34590 34.17683 
1 1 1   14   14   16 o  227.782   10.991   68.485   6.4849   53.970   13.092   73.204   7.4650  192.072   27.065  234.634   12.326 -42.56140 29.73934 
1 1 1   14   14   17 o   89.734   20.904   11.587   4.7686   9.3840   10.862   12.112   5.3074   85.931   33.621   91.199   22.585 -5.267975 40.50239 
1 1 1   14   14   18 o   58.553   22.322   3.7809   4.6995   8.5390   11.199   2.7640   5.1773   84.257   33.760   56.948   22.906 27.30844 40.79720 
1 1 1   14   14   19 o   38.271   17.923  -3.8725   4.4536  -2.0650   10.489  -4.2700   4.9191   64.653   29.245   40.100   18.798 24.55311 34.76563 
1 1 1   14   14   20 o   59.495   22.828   3.9411   4.9348  -4.8470   10.932   6.1901   5.5303   62.134   28.752   68.276   24.541 -6.141922 37.80116 
1 1 1   14   14   21 o  138.781   16.840   26.700   5.9298   6.1660   12.406   32.781   6.7510   80.618   34.200  153.701   17.255 -73.08366 38.30582 
1 1 1   14   14   22 o  112.314   22.519   18.588   6.3232   0.0000   0.0000   18.588   6.3232  ?   ?   112.314   22.519 0.000000 22.51853 
1 1 1   14   14   23 o   57.646   24.434   1.8495   6.3235 -19.7100   12.566   9.1604   7.3175   53.003   26.078   78.928   28.244 -25.92485 38.44205 
1 1 1   14   14   24 o   89.927   29.302   12.955   7.8344   26.880   13.212   5.4040   9.7295  120.827   37.917   73.016   30.592 47.81155 48.71937 
1 1 1   14   14   25 o  105.188   21.764   16.529   5.7344   5.7800   11.882   19.793   6.5474   76.557   32.994  114.621   22.854 -38.06407 40.13576 
1 1 1   14   14   26 o  131.332   18.541   24.842   6.1319   16.420   12.898   27.301   6.9700   95.011   36.784  136.435   20.344 -41.42356 42.03534 
1 1 1   14   14   27 o  122.024   20.476   22.115   6.2428   25.570   12.128   20.869   7.2815  115.139   36.356  114.788   25.181 0.3503647 44.22533 
1 1 1   14   14   28 o  132.750   19.423   25.971   6.4814   22.510   13.445   27.019   7.3978  103.924   38.129  133.049   22.251 -29.12500 44.14692 
1 1 1   14   14   29 o  160.267   17.038   36.924   6.9648   21.510   14.650   41.425   7.9167   98.885   38.936  168.439   18.446 -69.55407 43.08483 
1 1 1   14   14   30 o  149.426   18.116   32.724   6.8685   42.690   14.686   29.934   7.7707  142.703   38.738  138.860   22.363 3.843491 44.72944 
1 1 1   14   14   31 o   66.998   26.101   6.7196   6.5256  -7.7930   13.698   10.980   7.4219   60.222   29.083   79.202   28.434 -18.97934 40.67346 
1 1 1   14   14   32 o   46.096   21.608  -3.3561   6.4990 -15.0300   13.736   0.0108   7.3769   54.676   26.971   53.929   24.449 0.7465706 36.40269 
1 1 1   14   14   33 o   89.781   30.177   15.769   8.2919   24.850   15.274   11.975   9.8734   95.994   39.080   78.406   31.598 17.58829 50.25615 
1 1 1   14   14   34 o  123.491   23.179   25.298   7.1422   32.320   14.789   23.163   8.1564  107.326   39.880  111.649   28.196 -4.322853 48.84060 
1 1 1   14   15    0 o  158.336   14.286   33.423   5.7962   32.680   17.712   33.512   6.1339  142.519   43.767  158.272   15.147 -15.75256 46.31422 
1 1 1   14   15    1 f  167.379   13.536   37.217   5.8184   39.910   17.796   36.894   6.1567  157.988   42.540  166.366   14.430 -8.378082 44.92090 
1 1 1   14   15    2 o   69.905   26.664   5.2298   6.7079   28.500   15.148  -0.4459   7.4813  134.821   40.282   59.321   25.869 75.50053 47.87312 
1 1 1   14   15    3 o  185.695   14.855   45.992   7.0854   40.166   10.522   50.825   9.5839  169.192   24.740  193.364   19.396 -24.17244 31.43677 
1 1 1   14   15    4 o   34.348   16.954 -11.5609   5.4583 -11.8557   8.8082 -11.3771   6.9545   48.955   23.561   41.654   20.258 7.300854 31.07268 
1 1 1   14   15    5 o  330.725   13.550  144.555   11.608  137.545   13.851  161.100   21.280  320.531   16.740  341.019   24.248 -20.48849 29.46526 
1 1 1   14   15    6 o  372.476   12.804  183.038   12.353  186.817   14.642  173.700   23.014  374.980   15.074  352.837   25.350 22.14221 29.49330 
1 1 1   14   15    7 o  222.255   14.229   65.735   8.1488   78.626   11.354   52.040   11.703  241.101   18.317  192.940   23.930 48.16104 30.13499 
1 1 1   14   15    8 o  134.182   19.158   24.764   6.4697   25.171   9.1135   24.350   9.1860  131.495   27.634  128.975   28.276 2.520401 39.53673 
1 1 1   14   15    9 o  184.350   13.963   45.321   6.6183   46.806   10.141   44.219   8.7348  183.735   21.729  179.898   19.034 3.837097 28.88681 
1 1 1   14   15   10 o   60.229   23.158   3.7109   5.0849   8.6818   7.9086   0.2077   6.6392   81.403   29.338   56.960   24.605 24.44360 38.29002 
1 1 1   14   15   11 o  106.587   21.349   16.087   5.6887   16.234   9.2656   15.999   7.2068  103.827   31.613  104.334   26.589 -0.5069733 41.30846 
1 1 1   14   15   12 o  185.120   13.864   45.830   6.5997   44.432   9.9335   46.934   8.8305  178.135   21.995  185.028   18.680 -6.893723 28.85708 
1 1 1   14   15   13 o   64.764   23.769   5.0787   5.2254   4.0193   8.3411   5.7631   6.7040   70.133   28.752   70.346   26.698 -0.2135696 39.23629 
1 1 1   14   15   14 o  101.621   20.217   14.654   5.1344   16.078   7.9857   13.650   6.7037  103.041   28.801   95.877   26.232 7.163925 38.95705 
1 1 1   14   15   15 o  120.075   17.921   20.025   5.4035   32.786   8.5931   11.679   6.9493  151.579   22.574   88.680   27.445 62.89809 35.53662 
1 1 1   14   15   16 o  130.816   16.316   23.499   5.4087   15.240   12.205   25.518   6.0335   99.375   36.348  135.803   17.563 -36.42794 40.36913 
1 1 1   14   15   17 o   93.141   21.870   12.648   5.1863  -0.9818   11.868   15.865   5.7660   69.832   31.392  104.505   21.996 -34.67348 38.33144 
1 1 1   14   15   18 o  160.096   14.498   34.789   5.9469   32.210   13.436   35.418   6.6319  137.880   36.894  160.678   16.153 -22.79718 40.27523 
1 1 1   14   15   19 o   83.801   22.925   10.405   5.1204   22.190   12.450   8.0060   5.6175  113.713   36.932   74.548   24.837 39.16542 44.50684 
1 1 1   14   15   20 o  100.290   21.244   14.691   5.3472   13.490   12.205   14.976   5.9484   93.431   35.889  100.212   23.349 -6.780602 42.81557 
1 1 1   14   15   21 o  115.566   19.890   19.203   5.7394   6.3790   12.173   22.868   6.5082   79.753   33.858  125.845   20.684 -46.09158 39.67618 
1 1 1   14   15   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15   23 o   55.331   24.642  -0.4638   7.1315  -1.7580   12.217   0.2052   8.7833   67.401   30.900   61.526   27.378 5.874954 41.28371 
1 1 1   14   15   24 o  141.703   16.939   28.296   6.0944   32.660   12.970   27.060   6.9039  133.905   36.427  136.343   20.156 -2.438217 41.63192 
1 1 1   14   15   25 o  118.418   20.370   20.700   6.0230   23.320   13.025   19.987   6.7929  109.271   37.798  113.840   23.802 -4.568329 44.66755 
1 1 1   14   15   26 o   62.157   24.454   4.7856   5.7741   14.090   12.182   2.0895   6.5575   88.942   35.351   57.439   24.628 31.50307 43.08433 
1 1 1   14   15   27 o   96.822   24.174   14.972   6.0442   24.200   13.310   12.574   6.7841  107.400   38.128   86.689   27.165 20.71051 46.81508 
1 1 1   14   15   28 o   92.129   24.896   13.898   6.0824   33.640   12.867   8.2165   6.9023  129.523   36.685   72.359   27.174 57.16423 45.65264 
1 1 1   14   15   29 o   38.381   18.614  -7.4471   5.7644 -18.0800   12.262  -4.4303   6.5311   50.461   24.999   45.225   21.343 5.235714 32.87039 
1 1 1   14   15   30 o   32.386   16.205 -13.4936   5.7076  -7.7180   12.869 -14.9078   6.3681   58.561   28.258   34.084   17.063 24.47651 33.01051 
1 1 1   14   15   31 o   43.559   20.688  -4.7289   6.3247  -8.7650   13.636  -3.6225   7.1391   58.553   28.451   47.854   22.500 10.69958 36.27302 
1 1 1   14   15   32 o  144.076   29.402   37.771   10.601   0.0000   0.0000   37.771   10.601  ?   ?   144.076   29.402 0.000000 29.40175 
1 1 1   14   15   33 o   51.949   23.225   1.0493   6.4007   10.160   13.424  -1.6313   7.2817   73.895   33.287   50.025   23.258 23.87040 40.60735 
1 1 1   14   16    0 o  259.028   11.468   88.262   7.6945   97.550   20.809   86.791   8.2814  258.086   31.800  256.501   12.464 1.585083 34.15503 
1 1 1   14   16    1 o  192.593   17.866   50.245   8.8113   47.050   17.348   51.355   10.229  172.529   39.650  193.278   20.756 -20.74878 44.75464 
1 1 1   14   16    2 o   76.984   25.866   8.0182   6.0919   20.728   9.2578  -1.6880   8.0902  118.039   30.166   59.099   26.288 58.94010 40.01244 
1 1 1   14   16    3 o   69.698   25.720   5.7691   6.1308   8.9888   9.5251   3.4918   8.0108   85.089   31.928   68.859   28.198 16.22964 42.59698 
1 1 1   14   16    4 o  167.181   39.271   44.310   16.717   0.0000   0.0000   44.310   16.717  ?   ?   167.181   39.271 0.000000 39.27097 
1 1 1   14   16    5 o  363.528   24.708  184.900   23.128   0.0000   0.0000  184.900   23.128  ?   ?   363.528   24.708 0.000000 24.70820 
1 1 1   14   16    6 o  222.637   12.955   65.785   7.4387   66.458   11.513   65.303   9.7460  219.910   20.446  219.788   17.257 0.1219177 26.75538 
1 1 1   14   16    7 o  185.472   14.430   46.026   6.8780   35.994   10.485   53.603   9.1124  157.942   26.573  198.583   17.908 -40.64110 32.04374 
1 1 1   14   16    8 o  234.854   13.860   73.535   8.3944   78.562   11.716   68.230   12.034  239.824   19.015  222.029   21.181 17.79564 28.46399 
1 1 1   14   16    9 o  292.155   12.476  112.971   9.4417  113.423   12.638  112.400   14.204  289.715   16.915  286.669   19.239 3.045959 25.61752 
1 1 1   14   16   10 o  173.976   14.539   40.670   6.4922   33.864   9.4244   46.816   8.9561  153.670   24.499  184.473   19.016 -30.80307 31.01277 
1 1 1   14   16   11 o  182.302   14.110   44.596   6.6111   44.336   10.230   44.782   8.6629  176.966   22.852  180.295   18.827 -3.328842 29.60848 
1 1 1   14   16   12 o   71.588   24.040   7.0510   5.2624  -0.8379   8.3031   12.347   6.8032   60.407   26.761   91.168   26.938 -30.76081 37.97177 
1 1 1   14   16   13 o  199.723   13.016   53.341   6.6967   48.926   10.161   56.732   8.9045  186.344   21.441  203.770   17.026 -17.42506 27.37882 
1 1 1   14   16   14 o   60.075   22.820   4.0609   4.9004  -0.4916   7.7050   7.1531   6.3501   58.622   25.885   73.140   26.296 -14.51794 36.89866 
1 1 1   14   16   15 f  193.878   13.173   50.454   6.5762   38.526   10.004   59.531   8.7267  162.445   24.539  208.801   16.263 -46.35605 29.43931 
1 1 1   14   16   16 o   99.712   23.875   14.783   6.0848   7.1010   12.360   17.240   6.9905   82.605   34.535  106.944   25.579 -24.33843 42.97638 
1 1 1   14   16   17 o   56.052   22.373   2.9104   4.8984   6.5490   12.102   2.1974   5.3569   80.839   34.007   55.622   22.950 25.21738 41.02651 
1 1 1   14   16   18 o  195.540   12.974   51.481   6.5343   41.670   14.599   53.938   7.3070  156.439   36.667  199.405   14.240 -42.96581 39.33479 
1 1 1   14   16   19 o  102.132   20.578   15.172   5.2559   12.290   12.309   15.815   5.8123   90.584   35.683  103.375   22.357 -12.79108 42.10840 
1 1 1   14   16   20 o  101.954   24.567   15.837   6.4112   0.0000   0.0000   15.837   6.4112  ?   ?   101.954   24.567 0.000000 24.56652 
1 1 1   14   16   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16   22 o   77.962   24.915   9.2860   5.6826   18.960   12.293   6.6568   6.4085  102.324   36.608   69.779   26.188 32.54543 45.01068 
1 1 1   14   16   23 o  102.074   22.321   15.774   5.7372   15.930   12.135   15.730   6.5109   94.685   35.923  100.059   25.150 -5.374695 43.85181 
1 1 1   14   16   24 o   52.478   22.581   1.1932   5.5476 -14.4000   12.091   5.3513   6.2437   54.027   26.371   64.939   25.467 -10.91223 36.66070 
1 1 1   14   16   25 o   51.637   22.737   0.3738   5.9043 -13.2500   12.258   4.4897   6.7374   54.827   26.716   63.219   25.870 -8.392548 37.18872 
1 1 1   14   16   26 f   55.955   23.583   2.5603   5.8376   9.6150   11.820   0.2845   6.7135   79.241   33.486   53.796   23.937 25.44569 41.16195 
1 1 1   14   16   27 o   38.133   18.469  -7.2201   5.6256 -22.1600   12.722  -3.5888   6.2721   49.475   24.668   45.571   21.319 3.903690 32.60362 
1 1 1   14   16   28 o   80.495   25.694   10.912   6.0453   0.9066   12.513   13.958   6.9045   66.420   30.744   89.567   27.294 -23.14751 41.11157 
1 1 1   14   16   29 o   76.943   26.267   10.113   6.2835  -4.4430   13.090   14.471   7.1625   61.478   29.356   90.038   27.863 -28.56076 40.47381 
1 1 1   14   16   30 o   79.341   26.765   11.109   6.5229   12.250   13.509   10.762   7.4488   79.631   34.743   77.400   28.384 2.230995 44.86277 
1 1 1   14   16   31 o  109.976   27.604   21.774   7.8516   0.0000   0.0000   21.774   7.8516  ?   ?   109.976   27.604 0.000000 27.60433 
1 1 1   14   16   32 o   61.542   26.781   4.5761   7.9819   16.950   14.471  -0.8346   9.5692   82.338   35.940   56.331   26.346 26.00718 44.56245 
1 1 1   14   16   33 o   35.929   17.861 -11.7965   6.4675 -26.0600   13.522  -7.5659   7.3644   46.534   23.498   42.726   20.795 3.807648 31.37829 
1 1 1   14   17    0 o   79.826   22.279   9.0841   4.7821   33.050   16.933   7.0070   4.9850  140.291   42.742   71.549   23.376 68.74223 48.71679 
1 1 1   14   17    1 o  109.557   27.558   17.756   7.8133   41.540   16.349   10.716   8.8949  160.117   39.631   88.027   31.178 72.09055 50.42533 
1 1 1   14   17    2 f  132.800   25.802   25.563   8.5560   27.598   10.213   20.770   15.670  135.850   29.838  114.951   41.311 20.89938 50.95996 
1 1 1   14   17    3 o  169.496   20.505   39.829   8.8196   33.212   10.381   57.000   16.723  150.681   27.614  192.616   34.798 -41.93428 44.42285 
1 1 1   14   17    4 f  247.604   12.848   81.443   8.2117   74.661   12.211   87.041   11.095  232.615   20.474  253.658   16.985 -21.04315 26.60204 
1 1 1   14   17    5 o  193.774   14.911   50.441   7.4267   32.937   10.988   65.162   10.077  148.571   29.591  218.694   17.947 -70.12221 34.60828 
1 1 1   14   17    6 o  210.138   13.429   58.917   7.2714   56.068   11.123   61.043   9.6088  200.298   21.791  211.675   17.687 -11.37758 28.06535 
1 1 1   14   17    7 o  230.649   13.173   70.908   7.8374   74.991   11.882   67.763   10.428  233.116   19.866  222.601   18.245 10.51439 26.97306 
1 1 1   14   17    8 o   98.106   25.825   14.242   6.6524   7.5720   9.1945   21.570   9.6369   79.819   31.014  118.303   31.054 -38.48427 43.88887 
1 1 1   14   17    9 o   36.779   17.902  -8.9303   5.4623  -9.2107   8.3097  -8.7170   7.2482   48.996   23.394   45.248   21.671 3.748260 31.88906 
1 1 1   14   17   10 f  179.983   14.471   43.671   6.6896   47.298   9.9159   40.642   9.0627  183.343   21.275  169.972   21.033 13.37102 29.91662 
1 1 1   14   17   11 o  188.595   14.067   47.887   6.8227   49.022   10.359   47.017   9.0671  185.971   21.926  183.834   19.331 2.136917 29.23049 
1 1 1   14   17   12 o   83.801   24.593   10.372   5.6873  -3.7110   8.8870   20.139   7.4012   57.536   26.369  116.358   25.279 -58.82184 36.52864 
1 1 1   14   17   13 o  131.243   18.373   24.093   6.0748   18.716   9.6425   27.632   7.8225  108.113   32.101  138.230   22.630 -30.11781 39.27616 
1 1 1   14   17   14 o   74.364   24.963   7.9110   5.6742  -3.3429   9.1211   15.016   7.2472   58.473   26.767   98.799   27.374 -40.32638 38.28612 
1 1 1   14   17   15 o   78.604   24.829   9.1357   5.6564  -1.7785   8.8321   16.725   7.3651   59.619   26.914  104.149   27.056 -44.53047 38.16328 
1 1 1   14   17   16 o   39.971   18.981  -5.5502   5.3201  -4.7727   8.4542  -6.0599   6.8454   53.980   25.085   46.173   21.808 7.807171 33.23936 
1 1 1   14   17   17 o   95.749   22.332   13.623   5.4371   13.910   12.924   13.561   5.9933   93.973   36.699   94.558   24.329 -0.5848846 44.03032 
1 1 1   14   17   18 o  163.661   15.409   36.859   6.4553   32.170   14.316   38.056   7.2323  132.393   39.066  165.183   17.153 -32.78943 42.66553 
1 1 1   14   17   19 o   96.513   33.068   15.610   9.9584   0.0000   0.0000   15.610   9.9584  ?   ?    96.513   33.068 0.000000 33.06774 
1 1 1   14   17   20 o   45.025   21.813 -10.2091   7.8605   0.0000   0.0000 -10.2091   7.8605  ?   ?    45.025   21.813 0.000000 21.81326 
1 1 1   14   17   21 o  140.571   17.513   28.012   6.2387   18.270   13.051   30.898   7.1029   99.645   37.376  146.511   19.176 -46.86643 42.00813 
1 1 1   14   17   22 o  110.933   21.455   18.437   5.9422   5.4010   12.452   22.280   6.7617   75.798   33.205  121.585   22.291 -45.78690 39.99372 
1 1 1   14   17   23 o   65.231   24.710   5.8204   5.7360   21.680   12.503   1.5924   6.4554  104.996   36.988   56.154   24.260 48.84122 44.23411 
1 1 1   14   17   24 o   62.610   24.558   5.0419   5.8069 -17.5400   12.290   11.533   6.5888   51.734   25.518   83.516   26.842 -31.78251 37.03595 
1 1 1   14   17   25 o  102.413   23.392   16.634   6.0695   14.550   12.891   17.227   6.8798   87.459   35.787  102.058   25.963 -14.59953 44.21240 
1 1 1   14   17   26 o   94.740   25.287   14.919   6.3215   13.670   12.106   15.388   7.4122   84.767   34.682   93.592   28.226 -8.824829 44.71668 
1 1 1   14   17   27 o   49.855   22.509  -0.4920   6.1797   11.770   13.372  -3.8222   6.9686   80.638   34.876   47.369   22.259 33.26921 41.37402 
1 1 1   14   17   28 o   60.150   25.005   4.3032   6.4281   10.150   14.053   2.7562   7.2287   77.582   34.568   58.457   25.462 19.12540 42.93322 
1 1 1   14   17   29 o   45.934   21.475  -2.9222   6.3464  -0.7198   12.452  -3.6951   7.3764   62.848   29.602   48.280   22.753 14.56791 37.33589 
1 1 1   14   17   30 o  144.365   20.287   32.474   7.3768   29.480   14.978   33.433   8.4761  103.456   39.752  142.178   23.860 -38.72246 46.36352 
1 1 1   14   17   31 o   70.982   30.108   9.1204   9.6128   0.0000   0.0000   9.1204   9.6128  ?   ?    70.982   30.108 0.000000 30.10808 
1 1 1   14   17   32 o   80.197   29.771   13.554   8.2384 -11.9900   14.376   26.043   10.053   54.682   27.087  108.494   32.905 -53.81160 42.61972 
1 1 1   14   18    0 o   68.846   28.122   3.9931   7.9428   9.6060   17.253   2.4835   8.9474   95.798   40.468   68.481   29.047 27.31715 49.81386 
1 1 1   14   18    1 o  196.345   19.595   53.343   9.8327   57.000   11.989   45.830   17.184  200.272   23.562  165.563   40.422 34.70889 46.78774 
1 1 1   14   18    2 o  113.059   28.971   19.392   8.5232   22.070   10.296   13.560   15.194  118.799   32.512   99.479   39.499 19.32002 51.15794 
1 1 1   14   18    3 o  168.587   16.794   38.783   7.2361   50.396   11.110   30.227   9.5359  188.271   23.278  143.244   26.682 45.02771 35.40877 
1 1 1   14   18    4 o   65.049   25.205   4.5514   6.0598  -7.6154   9.6393   12.502   7.7920   55.627   26.152   91.553   29.166 -35.92653 39.17349 
1 1 1   14   18    5 o  234.080   13.414   73.284   8.0995   73.337   12.153   73.241   10.864  229.285   20.685  230.909   18.314 -1.623810 27.62726 
1 1 1   14   18    6 o  150.992   17.435   31.379   6.6938   28.225   10.483   33.550   8.6977  135.276   30.630  153.292   22.581 -18.01564 38.05389 
1 1 1   14   18    7 o  153.216   17.085   32.266   6.6651   32.272   10.077   32.262   8.8866  146.945   27.485  149.393   23.760 -2.447357 36.33123 
1 1 1   14   18    8 o   59.405   23.836   3.1522   5.5917  -6.8799   8.6327   10.403   7.3394   52.604   24.737   84.279   28.391 -31.67437 37.65552 
1 1 1   14   18    9 o  156.034   18.352   33.849   7.2759   25.598   10.028   43.020   10.573  127.855   30.673  171.922   24.428 -44.06715 39.21195 
1 1 1   14   18   10 o  137.476   19.630   26.670   6.7920   24.158   9.5605   29.230   9.6507  124.244   30.038  138.688   27.832 -14.44317 40.94955 
1 1 1   14   18   11 o   75.789   25.388   8.2716   5.8686   6.3307   9.3766   9.5214   7.5245   75.862   30.716   81.128   28.682 -5.265656 42.02545 
1 1 1   14   18   12 o   55.339   23.182   1.7818   5.5853   0.1423   8.9185   2.8397   7.1642   62.931   27.815   62.917   26.297 0.1383209E-01 38.27781 
1 1 1   14   18   13 o   98.365   23.823   14.513   6.0055   8.6575   9.5486   18.345   7.7246   80.642   31.530  108.705   27.432 -28.06339 41.79332 
1 1 1   14   18   14 o  195.682   13.774   51.882   6.9373   55.809   10.641   48.979   9.1492  197.312   21.149  186.285   19.238 11.02708 28.58935 
1 1 1   14   18   15 o   60.669   24.080   3.8477   5.6448  -6.5931   9.3175   9.9019   7.0951   54.401   25.618   81.052   27.905 -26.65021 37.88082 
1 1 1   14   18   16 o  274.580   15.653  103.558   11.087   82.600   16.779  119.800   14.771  230.342   28.748  290.590   19.740 -60.24829 34.87288 
1 1 1   14   18   17 o   43.204   20.720  -7.6178   6.6773  -7.7300   12.710  -7.5750   7.8476   62.415   29.551   47.883   22.827 14.53234 37.34111 
1 1 1   14   18   18 o   95.319   31.053   15.132   8.7992   0.0000   0.0000   15.132   8.7992  ?   ?    95.319   31.053 0.000000 31.05324 
1 1 1   14   18   19 o   44.014   20.991  -6.6457   6.6495 -22.1600   12.008   0.2163   7.9858   49.215   24.443   58.853   26.151 -9.637989 35.79542 
1 1 1   14   18   20 o   73.206   24.733   8.1248   5.5701  -2.1400   12.238   10.807   6.2557   65.897   30.468   82.554   26.115 -16.65732 40.12831 
1 1 1   14   18   21 o   90.729   23.956   12.937   5.7130   7.6440   11.889   14.526   6.5144   77.878   33.271   94.982   25.806 -17.10438 42.10603 
1 1 1   14   18   22 o   77.415   25.254   9.5488   5.8190   2.5320   12.195   11.617   6.6214   70.120   31.643   84.007   26.899 -13.88630 41.53135 
1 1 1   14   18   23 o   67.193   24.660   6.7141   5.6242   7.3760   11.908   6.5241   6.3807   75.637   32.813   67.411   25.936 8.226677 41.82496 
1 1 1   14   18   24 o   47.761   21.718  -1.2833   5.8768   7.1170   12.313  -3.7615   6.6878   74.694   32.863   46.845   21.947 27.84845 39.51714 
1 1 1   14   18   25 o  101.801   24.030   16.886   6.2349   11.550   13.356   18.373   7.0503   80.713   34.882  104.285   26.148 -23.57185 43.59441 
1 1 1   14   18   26 f   43.063   20.226  -3.5521   5.7419 -15.0600   11.325   0.4300   6.6617   49.497   24.430   52.800   23.643 -3.302780 33.99704 
1 1 1   14   18   27 o   46.831   21.826  -2.6839   6.4749   8.3290   13.251  -6.1382   7.4212   74.197   33.276   45.614   21.868 28.58340 39.81822 
1 1 1   14   18   28 o  109.973   25.315   20.693   7.0621   0.7955   14.740   26.622   8.0456   66.749   31.667  124.777   25.747 -58.02827 40.81325 
1 1 1   14   18   29 f   62.406   25.557   5.6839   6.5814   0.2337   13.076   7.5331   7.6165   63.342   29.985   67.629   27.571 -4.287346 40.73463 
1 1 1   14   18   30 o   73.213   30.228   10.504   9.3017   0.0000   0.0000   10.504   9.3017  ?   ?    73.213   30.228 0.000000 30.22818 
1 1 1   14   18   31 o   42.564   20.850  -8.8709   7.7592   0.4309   13.440 -13.5212   9.5028   61.635   29.516   43.869   21.781 17.76601 36.68269 
1 1 1   14   19    0 o  100.359   31.519   15.778   9.1278   15.802   10.895   15.720   16.718  100.063   34.572  102.311   41.158 -2.248123 53.75089 
1 1 1   14   19    1 f  171.271   21.678   41.695   9.4020   39.679   11.031   47.050   17.976  163.199   27.042  163.075   42.223 0.1243896 50.14037 
1 1 1   14   19    2 o   62.237   25.390   3.2300   6.4640   17.229   10.017  -6.7590   8.4615  103.952   33.064   52.048   24.480 51.90418 41.13988 
1 1 1   14   19    3 o  195.135   15.183   51.679   7.6139   39.782   11.535   60.864   10.135  162.108   28.512  209.313   18.898 -47.20531 34.20598 
1 1 1   14   19    4 o  192.886   15.059   50.491   7.4643   56.352   11.360   46.038   9.9017  198.510   22.490  179.843   21.693 18.66737 31.24711 
1 1 1   14   19    5 o  155.614   17.489   33.522   6.9275   50.762   10.662   20.927   9.1133  188.343   22.286  115.383   30.156 72.95908 37.49745 
1 1 1   14   19    6 o  191.523   14.967   49.831   7.3661   51.654   10.897   48.298   9.9953  189.559   22.642  184.239   21.339 5.320572 31.11293 
1 1 1   14   19    7 o   86.673   25.994   11.331   6.2992   7.9272   10.188   13.438   8.0149   80.518   32.221   93.039   29.574 -12.52153 43.73575 
1 1 1   14   19    8 o  173.777   15.834   41.393   7.0492   53.333   10.621   31.993   9.4238  193.086   21.607  146.165   25.836 46.92139 33.67970 
1 1 1   14   19    9 o  156.101   17.016   33.790   6.7689   37.660   10.137   30.676   9.0934  158.834   25.501  143.117   25.462 15.71741 36.03622 
1 1 1   14   19   10 o   67.743   26.195   5.5253   6.5344   12.608   9.5167  -0.7925   8.9881   89.986   32.209   61.361   27.471 28.62579 42.33257 
1 1 1   14   19   11 o  307.658   11.512  126.208   9.1744  114.131   13.384  136.911   12.600  286.088   18.155  316.926   15.349 -30.83762 23.77394 
1 1 1   14   19   12 o  169.512   17.766   40.242   7.6847   28.660   14.327   44.921   9.1055  124.263   39.543  177.306   20.186 -53.04241 44.39739 
1 1 1   14   19   13 o  137.686   23.913   28.355   8.2192   26.520   13.366   29.470   10.423  120.267   38.187  134.868   30.544 -14.60030 48.89976 
1 1 1   14   19   14 o  117.432   27.001   21.628   8.0415   15.180   13.270   25.370   10.109   95.140   37.177  123.615   31.485 -28.47482 48.71826 
1 1 1   14   19   15 o   97.557   26.751   15.069   6.9623   11.582   9.8092   18.610   9.8834   85.948   32.371  104.214   32.809 -18.26632 46.09052 
1 1 1   14   19   16 o  115.428   23.834   20.295   6.8902   13.670   12.386   23.265   8.2917   90.934   35.802  121.230   27.087 -30.29581 44.89468 
1 1 1   14   19   17 f   65.376   28.283   2.7805   8.7991   4.1840   11.142   0.4545   14.344   72.441   31.580   73.180   33.524 -0.7395172 46.05630 
1 1 1   14   19   18 o  183.061   13.938   46.027   6.5596   40.380   15.704   47.221   7.2196  142.164   40.619  184.411   15.251 -42.24681 43.38755 
1 1 1   14   19   19 o   59.916   23.570   4.2603   5.3637   5.0650   11.753   4.0486   6.0282   73.696   32.272   60.883   24.636 12.81287 40.60096 
1 1 1   14   19   20 o   96.270   23.500   14.559   5.8090   21.780   12.244   12.462   6.5989  104.830   36.625   87.002   26.715 17.82850 45.33303 
1 1 1   14   19   21 o   76.746   25.615   9.5026   5.9740   20.710   12.227   5.9884   6.8469  101.036   36.469   66.693   26.504 34.34263 45.08327 
1 1 1   14   19   22 o   85.339   25.315   12.059   5.9987   18.070   12.150   10.122   6.8981   94.032   35.881   77.827   27.468 16.20546 45.18810 
1 1 1   14   19   23 o   62.085   24.447   5.2329   5.7755   9.7090   12.278   3.9610   6.5449   77.726   33.518   60.228   25.151 17.49808 41.90502 
1 1 1   14   19   24 o   61.061   24.771   4.8118   6.1109  -0.2970   12.831   6.3105   6.9496   64.929   30.412   66.058   26.549 -1.128609 40.37056 
1 1 1   14   19   25 f   96.567   25.103   15.863   6.3374   28.310   13.909   12.602   7.1193  107.374   38.875   83.312   27.962 24.06209 47.88678 
1 1 1   14   19   26 o   47.865   21.887  -1.0308   6.0758 -16.2500   12.006   4.2093   7.0446   49.680   24.634   60.380   25.698 -10.70053 35.59840 
1 1 1   14   19   27 f   45.396   21.264  -2.8675   6.2741  -7.8060   13.798  -1.5801   7.0446   58.192   28.353   49.716   23.032 8.476120 36.52877 
1 1 1   14   19   28 o   53.572   23.860   1.6038   6.6877 -15.9800   13.039   7.8803   7.7904   51.105   25.397   68.028   27.826 -16.92271 37.67400 
1 1 1   14   19   29 o   88.930   29.839   16.380   8.1073   0.0000   0.0000   16.380   8.1073  ?   ?    88.930   29.839 0.000000 29.83948 
1 1 1   14   19   30 o   49.389   24.716 -17.6400   13.303 -17.6400   13.303   0.0000   0.0000   49.389   24.716  ?   ?  0.000000 24.71569 
1 1 1   14   19   31 o   67.164   32.410   7.8780   16.930   7.8780   16.930   0.0000   0.0000   67.164   32.410  ?   ?  0.000000 32.41007 
1 1 1   14   20    0 o  125.152   27.733   24.197   8.7540   13.150   12.401   35.170   12.359   92.935   36.044  146.657   33.295 -53.72224 49.06857 
1 1 1   14   20    1 o  209.826   17.000   60.806   9.1602   32.250   15.304   76.746   11.435  132.587   40.679  234.078   19.023 -101.4914 44.90713 
1 1 1   14   20    2 o  121.970   25.042   22.366   7.6468   16.380   13.571   25.151   9.2562   99.745   37.954  126.781   28.836 -27.03621 47.66633 
1 1 1   14   20    3 o  239.669   14.892   78.166   9.1994   77.860   16.466   78.305   11.092  225.083   28.911  237.105   18.199 -12.02170 34.16204 
1 1 1   14   20    4 o  136.587   22.680   27.307   7.7428   33.150   14.288   24.878   9.2127  136.280   38.678  125.862   28.872 10.41754 48.26597 
1 1 1   14   20    5 o   53.828   23.868  -0.5764   6.6190  -9.9490   11.165   4.5026   8.2190   56.830   27.130   68.891   28.427 -12.06118 39.29509 
1 1 1   14   20    6 o   74.037   27.610   7.4848   7.1016  -0.0650   12.123   11.429   8.7625   70.239   31.637   86.332   30.906 -16.09232 44.22739 
1 1 1   14   20    7 o   79.180   27.533   9.3225   6.9156   10.530   12.740   8.8180   8.2344   87.275   35.628   78.883   29.669 8.392189 46.36422 
1 1 1   14   20    8 o  145.387   23.543   31.368   8.5631   13.890   13.471   43.220   11.093   93.561   37.178  168.615   26.252 -75.05407 45.51233 
1 1 1   14   20    9 o  114.693   26.499   20.457   7.7144   16.230   11.847   23.570   10.165   97.652   35.797  118.650   32.236 -20.99810 48.17252 
1 1 1   14   20   10 o  130.679   26.312   26.397   8.5985   28.020   13.506   25.290   11.150  123.032   38.292  120.946   34.113 2.086327 51.28303 
1 1 1   14   20   11 o  103.418   27.305   17.009   7.4226   5.6916   10.267   29.400   10.743   74.290   31.291  132.972   31.648 -58.68207 44.50560 
1 1 1   14   20   12 o  110.536   24.382   18.735   6.7937   11.491   10.694   23.638   8.7972   86.013   33.440  121.229   28.496 -35.21576 43.93441 
1 1 1   14   20   13 o   89.096   25.805   12.502   6.2984   11.193   10.074   13.342   8.0701   84.673   32.585   90.242   29.755 -5.568604 44.12709 
1 1 1   14   20   14 o   82.954   31.912   10.698   9.6596   2.4090   13.380   19.720   13.960   73.859   33.255  101.880   38.559 -28.02017 50.91887 
1 1 1   14   20   15 o  132.705   29.790   29.150   9.9891   30.850   13.102   26.790   15.437  127.753   37.280  113.581   40.981 14.17234 55.40038 
1 1 1   14   20   16 o   59.050   24.122   3.4738   5.8448   0.1976   8.3661   6.5974   8.1690   59.370   26.547   71.308   28.740 -11.93798 39.12460 
1 1 1   14   20   17 o   77.444   25.516   9.4757   5.9346   6.8287   8.4753   12.022   8.3126   71.850   29.164   84.695   30.125 -12.84534 41.92883 
1 1 1   14   20   18 o   74.198   25.299   8.6440   5.8285   12.753   8.6358   5.2066   7.8990   85.982   30.692   66.980   27.771 19.00220 41.39141 
1 1 1   14   20   19 o   39.769   19.013  -5.6804   5.5254  -9.9830   13.283  -4.7801   6.0760   59.141   28.580   43.346   20.496 15.79504 35.16964 
1 1 1   14   20   20 o   72.848   25.613   8.5107   5.9925  -4.2470   12.717   12.152   6.7941   62.283   29.510   84.410   27.270 -22.12676 40.18077 
1 1 1   14   20   21 o  121.614   21.177   22.778   6.4289   24.220   13.229   22.332   7.3560  103.874   37.865  116.699   25.081 -12.82462 45.41866 
1 1 1   14   20   22 o  119.949   20.886   22.249   6.2535   24.520   13.615   21.642   7.0400  102.045   38.195  114.886   24.410 -12.84081 45.32887 
1 1 1   14   20   23 o   62.124   24.848   5.4062   6.0554   0.8074   12.596   6.7887   6.9059   64.992   30.341   66.687   26.582 -1.695259 40.33778 
1 1 1   14   20   24 o   47.071   21.520  -1.0845   5.8700  -6.4940   12.130   0.5696   6.7077   56.806   27.418   52.544   23.612 4.261707 36.18387 
1 1 1   14   20   25 o   47.534   21.903  -1.4048   6.2459   10.750   13.911  -4.4741   6.9902   75.654   34.000   45.664   21.706 29.99020 40.33773 
1 1 1   14   20   26 o   46.315   21.468  -1.7683   6.1324 -11.2800   13.029   0.9388   6.9505   54.004   26.567   53.108   23.935 0.8956566 35.75878 
1 1 1   14   20   27 o   81.251   27.290   12.643   6.7813   3.6660   14.876   14.998   7.6190   66.832   31.737   86.565   28.928 -19.73306 42.94261 
1 1 1   14   20   28 o   45.476   21.850  -5.1317   7.5020   0.0000   0.0000  -5.1317   7.5020  ?   ?    45.476   21.850 0.000000 21.85023 
1 1 1   14   20   29 o   47.112   23.777 -23.5400   13.725 -23.5400   13.725   0.0000   0.0000   47.112   23.777  ?   ?  0.000000 23.77653 
1 1 1   14   20   30 o   59.377   25.428   5.6604   6.9748   16.630   15.646   2.9398   7.7918   73.578   34.170   55.372   25.112 18.20600 42.40503 
1 1 1   14   21    0 f  139.835   33.266   32.953   11.874   35.050   17.032   30.970   16.563  131.730   43.217  124.190   42.642 7.539124 60.71344 
1 1 1   14   21    1 o  157.262   29.812   39.512   11.700   27.250   16.987   50.580   16.138  116.366   42.834  168.804   37.843 -52.43771 57.15601 
1 1 1   14   21    2 o   55.111   24.782  -1.1861   7.4024   12.120   15.500  -5.1179   8.4253   91.151   38.423   52.910   24.738 38.24065 45.69791 
1 1 1   14   21    3 o  169.477   17.476   40.303   7.5617   43.437   11.410   37.849   10.098  167.489   27.235  157.652   25.606 9.836349 37.38181 
1 1 1   14   21    4 o  171.716   16.784   41.151   7.3701   22.598   10.699   57.903   10.167  114.238   33.790  201.253   19.757 -87.01539 39.14242 
1 1 1   14   21    5 o  201.071   14.600   55.398   7.5522   41.757   10.664   69.123   10.697  165.351   25.735  220.770   18.887 -55.41881 31.92223 
1 1 1   14   21    6 o   67.723   25.830   5.9833   6.2947   5.0557   9.6112   6.6800   8.3299   71.801   30.261   72.916   29.151 -1.114395 42.01785 
1 1 1   14   21    7 o  119.907   22.466   21.485   6.7213   16.333   10.749   24.794   8.6130   97.079   34.285  125.185   27.328 -28.10658 43.84391 
1 1 1   14   21    8 o  189.429   14.738   49.370   7.1745   37.276   10.600   59.596   9.7463  153.784   27.625  204.802   18.574 -51.01801 33.28889 
1 1 1   14   21    9 o  130.936   20.266   25.019   6.6513   19.225   9.6360   30.293   9.1924  105.501   32.263  139.152   26.470 -33.65109 41.73229 
1 1 1   14   21   10 o   77.192   28.712   8.9398   7.6701   13.050   14.432   7.3217   9.0549   89.950   37.437   74.789   30.218 15.16178 48.11071 
1 1 1   14   21   11 o   86.093   36.319   11.050   13.866   11.050   13.866   0.0000   0.0000   86.093   36.319  ?   ?  0.000000 36.31931 
1 1 1   14   21   12 o  155.802   28.193   39.081   10.959   27.170   14.244   56.360   17.156  115.884   39.549  172.361   39.298 -56.47668 55.75374 
1 1 1   14   21   13 o  136.700   25.268   29.227   8.6177   33.852   10.055   16.430   16.725  144.775   27.824   94.034   39.790 50.74115 48.55331 
1 1 1   14   21   14 o   96.385   25.446   14.924   6.4466   8.0912   9.4573   20.854   8.8108   75.739   30.783  110.282   30.032 -34.54263 43.00620 
1 1 1   14   21   15 o   49.117   22.103  -0.9083   5.9022   12.818   8.9786 -11.3532   7.8322   86.157   31.228   43.135   21.091 43.02205 37.68285 
1 1 1   14   21   16 o  115.393   22.752   20.615   6.5589   17.934   9.3252   23.240   9.2269   99.157   31.940  115.111   30.468 -15.95361 44.14164 
1 1 1   14   21   17 o   48.042   21.688  -0.9504   5.7353  -7.1164   8.2465   4.8263   7.9819   48.344   23.143   65.638   27.616 -17.29418 36.03088 
1 1 1   14   21   18 o   49.545   22.136  -0.1735   5.8051   5.5501   8.3957  -5.4162   8.0354   67.280   28.315   49.293   23.385 17.98656 36.72313 
1 1 1   14   21   19 o  140.054   22.202   30.589   7.7859   17.570   14.012   36.405   9.3647   89.959   37.118  149.698   25.035 -59.73919 44.77128 
1 1 1   14   21   20 o  115.810   22.223   21.237   6.4241  -2.3010   12.608   29.491   7.4659   62.465   29.532  137.434   21.691 -74.96863 36.64264 
1 1 1   14   21   21 o   70.945   25.616   8.4326   6.0335  -0.7593   11.433   11.981   7.1031   61.378   28.736   81.265   27.924 -19.88669 40.06845 
1 1 1   14   21   22 o   47.512   21.589  -0.6596   5.7938   2.6200   12.237  -1.6073   6.5778   65.594   30.376   48.504   22.395 17.09060 37.73922 
1 1 1   14   21   23 o   64.442   25.503   6.5316   6.3146 -23.1000   13.488   14.849   7.1461   48.764   24.472   88.953   27.881 -40.18890 37.09745 
1 1 1   14   21   24 o  104.553   24.738   18.947   6.5951   23.160   14.184   17.785   7.4493   91.865   37.559   96.922   28.061 -5.057655 46.88356 
1 1 1   14   21   25 o  161.841   18.267   40.102   7.5240   32.530   15.079   42.612   8.6820  104.399   39.941  162.943   21.063 -58.54433 45.15433 
1 1 1   14   21   26 o   86.250   27.315   14.460   6.8422   16.630   15.300   13.917   7.6498   78.522   35.438   82.297   28.938 -3.775620 45.75247 
1 1 1   14   21   27 o   67.964   31.262   8.3620   12.649   0.0000   0.0000   8.3620   12.649  ?   ?    67.964   31.262 0.000000 31.26232 
1 1 1   14   21   28 o   59.081   27.632   2.8580   10.525  -4.3000   15.592   8.8500   14.265   58.596   28.872   67.351   31.711 -8.755199 42.88537 
1 1 1   14   21   29 o   50.444   23.208   0.9644   6.9751  -8.3190   15.230   3.4285   7.8464   54.808   27.272   55.674   25.229 -0.8660011 37.15180 
1 1 1   14   22    0 o  197.373   15.613   54.134   7.9172   56.275   11.852   52.409   10.639  192.455   24.317  187.821   22.304 4.634003 32.99706 
1 1 1   14   22    1 o  141.171   19.566   28.907   6.9625   29.414   10.504   28.510   9.2989  132.037   31.205  133.272   27.835 -1.235428 41.81558 
1 1 1   14   22    2 o   97.999   25.959   15.290   6.6945   17.032   10.298   14.016   8.8097   98.080   33.627   91.142   31.103 6.937714 45.80596 
1 1 1   14   22    3 o   83.467   27.454   11.150   6.8718   13.158   10.030   9.3727   9.4341   88.494   32.849   79.476   31.261 9.018661 45.34661 
1 1 1   14   22    4 o  111.577   28.665   20.514   8.3286   18.856   9.7209   25.090   16.151  103.592   32.526  109.431   41.461 -5.839417 52.69706 
1 1 1   14   22    5 o   88.585   30.053   13.084   8.2248   8.3330   9.5302   26.950   16.282   77.135   31.059  112.467   41.833 -35.33144 52.10229 
1 1 1   14   22    6 o   70.399   28.839   5.9649   8.3835   6.7609   10.111   4.2140   14.996   74.613   31.218   77.677   35.068 -3.064056 46.95057 
1 1 1   14   22    7 o   73.132   28.794   7.4422   8.0118   3.7411   10.002   14.070   13.384   68.997   30.002   90.151   36.628 -21.15356 47.34666 
1 1 1   14   22    8 o   57.295   25.512   0.2294   7.6403   2.0147   9.3103  -3.4520   13.369   64.595   28.491   66.396   31.082 -1.801033 42.16421 
1 1 1   14   22    9 o   55.934   23.653   2.2089   5.9039  -3.0876   8.6390   6.8502   8.0871   55.170   25.540   71.523   28.677 -16.35220 38.40164 
1 1 1   14   22   10 o   56.730   23.735   2.6601   5.8445   3.9708   9.1584   1.7596   7.5912   67.262   28.977   59.661   26.036 7.601036 38.95601 
1 1 1   14   22   11 o   70.789   26.689   7.3805   6.6711   12.656   8.8666   0.4975   10.127   85.854   31.045   63.586   28.752 22.26828 42.31453 
1 1 1   14   22   12 o   62.320   25.481   4.3645   6.5290 -10.8819   8.7567   23.450   9.7974   46.653   22.699  114.334   31.882 -67.68127 39.13661 
1 1 1   14   22   13 o   95.945   25.613   15.071   6.4846   16.097   9.3935   14.138   8.9628   93.740   32.116   88.913   31.318 4.826942 44.85811 
1 1 1   14   22   14 o   41.793   19.747  -4.4662   5.6212   1.7145   8.3255  -9.6443   7.6204   60.522   26.806   43.623   21.213 16.89937 34.18406 
1 1 1   14   22   15 o   48.723   21.994  -0.8038   5.8966  -8.7098   8.0527   8.3363   8.6584   45.863   22.185   73.579   29.613 -27.71616 37.00104 
1 1 1   14   22   16 f   54.572   23.401   2.1365   5.9212   3.8791   8.2126   0.2500   8.5451   63.379   27.372   58.010   26.305 5.368874 37.96247 
1 1 1   14   22   17 o   54.242   23.361   2.0913   5.9487   3.1936   8.3889   0.9765   8.4369   61.992   27.203   58.447   26.353 3.544403 37.87471 
1 1 1   14   22   18 o   61.906   24.637   5.3438   5.9241  -6.9954   8.3412   17.903   8.4153   47.743   22.965   97.160   30.224 -49.41629 37.95872 
1 1 1   14   22   19 o   52.902   22.994   1.8685   5.8704   2.1309   8.3653   1.6140   8.2400   59.188   26.499   58.104   26.135 1.083523 37.21931 
1 1 1   14   22   20 o   74.201   26.362   9.7529   6.3639  -3.1250   13.376   13.521   7.2353   61.333   29.391   84.843   28.184 -23.51029 40.72086 
1 1 1   14   22   21 o   55.366   23.987   2.7996   6.3468 -12.6100   13.252   7.3858   7.2299   53.751   26.510   66.963   27.021 -13.21188 37.85393 
1 1 1   14   22   22 o   96.497   25.619   16.677   6.5108   20.410   14.228   15.688   7.3224   86.777   36.709   90.101   28.220 -3.323677 46.30219 
1 1 1   14   22   23 o   82.593   26.723   12.927   6.5222   13.280   12.592   12.798   7.6247   76.412   33.435   79.756   28.797 -3.344299 44.12663 
1 1 1   14   22   24 o   75.335   27.083   11.024   6.7353   3.6510   13.963   13.259   7.6891   64.986   30.828   80.162   28.922 -15.17616 42.27121 
1 1 1   14   22   25 o   47.894   22.201  -0.8826   6.5596   16.300   13.936  -5.7727   7.4347   77.300   34.435   44.283   21.395 33.01680 40.54023 
1 1 1   14   22   26 o   55.035   26.473  -2.0630   11.085   0.0000   0.0000  -2.0630   11.085  ?   ?    55.035   26.473 0.000000 26.47335 
1 1 1   14   22   27 o   57.227   25.730   4.1337   7.9771   4.4780   13.967   3.9670   9.7183   62.280   29.895   58.759   27.161 3.521042 40.39112 
1 1 1   14   22   28 o   55.907   24.596   4.5693   6.8969 -12.4100   15.436   8.8042   7.7092   52.309   26.241   64.634   27.164 -12.32518 37.76833 
1 1 1   14   23    0 o   67.199   26.641   5.9395   6.9025   4.7135   10.097   7.0150   9.4573   70.005   30.292   73.245   30.380 -3.239990 42.90157 
1 1 1   14   23    1 o  136.170   20.417   27.517   6.9795   25.218   10.415   29.392   9.4035  118.177   32.842  133.636   28.059 -15.45840 43.19598 
1 1 1   14   23    2 o   54.215   23.860   0.6566   6.4945   11.014   10.026  -6.8312   8.5247   82.004   32.236   50.044   23.839 31.95993 40.09292 
1 1 1   14   23    3 o  139.422   21.063   29.071   7.3697   15.798   10.676   41.155   10.186   92.697   33.982  162.013   25.083 -69.31527 42.23638 
1 1 1   14   23    4 o  153.441   18.319   34.069   7.1372   33.069   10.120   35.059   10.067  141.175   28.654  146.764   27.491 -5.589264 39.70874 
1 1 1   14   23    5 o   65.627   25.465   5.8212   6.1921  -2.0153   9.1048   12.565   8.4461   57.510   26.479   85.568   30.373 -28.05732 40.29515 
1 1 1   14   23    6 o  117.220   23.537   21.432   6.8983   17.087   10.149   25.164   9.4050   95.924   33.354  120.649   30.172 -24.72511 44.97606 
1 1 1   14   23    7 o   72.978   26.237   8.3057   6.3215   5.0798   9.5432   10.828   8.4384   69.248   29.702   80.608   30.090 -11.36082 42.27982 
1 1 1   14   23    8 o   92.156   26.458   14.115   6.6476   12.000   10.093   15.735   8.8346   83.284   32.457   93.505   31.147 -10.22028 44.98432 
1 1 1   14   23    9 o   71.633   26.049   7.9827   6.2552   9.5729   9.4634   6.7489   8.3359   77.517   31.043   70.389   28.787 7.128242 42.33604 
1 1 1   14   23   10 o   42.181   19.886  -4.2504   5.6444  -2.1845   8.4690  -5.9016   7.5711   54.929   25.379   47.396   22.547 7.532345 33.94753 
1 1 1   14   23   11 o   39.929   19.158  -6.0952   5.7221  -2.3120   8.0512  -9.9566   8.1340   53.375   24.690   44.968   21.879 8.407478 32.98912 
1 1 1   14   23   12 o  145.792   20.101   31.993   7.3893   36.446   9.6619   25.720   11.469  149.291   25.925  112.635   35.324 36.65563 43.81701 
1 1 1   14   23   13 o  137.758   19.111   28.346   6.6359   26.521   9.3828   30.173   9.3863  121.649   29.972  132.408   28.229 -10.75990 41.17276 
1 1 1   14   23   14 o  103.918   24.223   17.743   6.3998   24.580   8.9146   10.471   9.1932  116.893   29.454   77.205   30.702 39.68858 42.54605 
1 1 1   14   23   15 o   88.589   25.336   13.435   6.1065   15.561   8.6861   11.357   8.5867   89.689   30.875   78.705   30.133 10.98409 43.14254 
1 1 1   14   23   16 o   69.054   25.590   7.8841   6.0814   1.4131   8.7477   13.937   8.4603   58.901   26.670   84.789   30.367 -25.88709 40.41570 
1 1 1   14   23   17 o   75.083   25.664   9.8789   5.9984   7.8468   8.8033   11.640   8.1953   69.591   29.124   78.246   29.561 -8.655228 41.49804 
1 1 1   14   23   18 o   43.110   20.290  -3.2806   5.8295  -9.4969   8.5790   2.0518   7.9456   45.307   22.137   57.406   25.755 -12.09912 33.96111 
1 1 1   14   23   19 o   94.325   25.328   15.818   6.3191   17.121   9.4413   14.760   8.5049   88.717   32.043   84.513   30.428 4.203758 44.18784 
1 1 1   14   23   20 f   52.933   24.093   0.6891   7.2546  -4.5460   13.925   2.6393   8.4991   59.294   28.797   58.422   26.386 0.8722763 39.05765 
1 1 1   14   23   21 o   38.358   18.754  -7.8692   6.1894 -16.9300   12.848  -5.1310   7.0630   49.389   24.651   44.268   21.252 5.121117 32.54676 
1 1 1   14   23   22 o   59.530   24.899   5.2696   6.4291  -1.3460   12.324   7.7432   7.5357   58.532   28.092   65.866   27.202 -7.333862 39.10417 
1 1 1   14   23   23 o   46.624   21.708  -1.3131   6.3806   13.460   14.058  -5.1458   7.1606   73.361   33.448   44.035   21.206 29.32677 39.60345 
1 1 1   14   23   24 o   80.461   31.623   16.003   9.6467   20.520   14.279   12.210   13.084   80.371   35.374   70.939   32.314 9.431984 47.91180 
1 1 1   14   23   25 o   57.166   26.840   2.2963   10.097   0.0000   0.0000   2.2963   10.097  ?   ?    57.166   26.840 0.000000 26.84023 
1 1 1   14   23   26 o   41.379   20.416  -8.9635   7.8838 -26.6200   14.025  -0.8076   9.5323   44.911   22.815   52.240   24.974 -7.328266 33.82639 
1 1 1   14   23   27 o   58.839   25.375   6.4425   7.0374   5.8300   15.572   6.5997   7.8891   60.947   29.787   59.338   26.197 1.608410 39.66815 
1 1 1   14   24    0 o  148.126   18.709   32.297   7.0183   22.967   9.8266   42.012   10.027  110.983   32.257  162.605   24.573 -51.62224 40.55060 
1 1 1   14   24    1 o   76.394   26.174   9.5851   6.2390   2.6005   8.7353   16.859   8.9140   62.662   27.620   95.585   31.261 -32.92233 41.71458 
1 1 1   14   24    2 o   54.159   23.419   1.6688   6.0265  -4.4742   8.8063   7.0796   8.2649   52.844   24.891   70.534   28.734 -17.68997 38.01618 
1 1 1   14   24    3 o   71.194   26.049   7.9806   6.2686   8.8695   9.1590   7.1973   8.5979   75.154   30.382   71.101   29.175 4.052528 42.12233 
1 1 1   14   24    4 o   67.535   25.454   6.8440   6.0671   11.886   9.1198   2.8412   8.1261   81.919   31.127   61.683   26.928 20.23577 41.15858 
1 1 1   14   24    5 o   66.291   25.257   6.4689   6.0141   5.1492   9.1093   7.4886   8.0073   67.544   28.996   70.960   28.506 -3.415802 40.66141 
1 1 1   14   24    6 o   85.600   26.571   12.480   6.5080   18.149   9.6570   7.7632   8.8088   97.112   32.567   72.153   29.560 24.95927 43.98178 
1 1 1   14   24    7 o   72.372   26.550   8.4831   6.5186  -1.7073   9.8214   16.507   8.7149   58.405   27.106   94.073   30.917 -35.66840 41.11651 
1 1 1   14   24    8 o  110.047   24.610   19.812   6.8394   28.871   10.027   11.931   9.3527  125.876   30.966   81.093   31.344 44.78250 44.06023 
1 1 1   14   24    9 o   50.736   22.471   0.5408   5.8502  -7.4376   8.3070   8.3917   8.2403   47.542   22.881   72.407   28.977 -24.86537 36.92183 
1 1 1   14   24   10 o   82.942   25.528   11.737   6.0218   15.329   8.5879   8.2619   8.4461   89.793   30.708   71.913   29.140 17.87975 42.33360 
1 1 1   14   24   11 o   53.395   22.995   2.0647   5.7631   0.2303   8.1962   3.8586   8.1052   56.369   25.638   62.228   27.033 -5.859241 37.25714 
1 1 1   14   24   12 o   58.690   24.819   3.7425   6.5005  -3.9251   7.9995   18.650   11.154   49.970   23.594   92.463   34.579 -42.49341 41.86118 
1 1 1   14   24   13 o   57.889   24.775   3.4152   6.6136   3.0207   8.5150   4.0150   10.500   60.753   26.999   65.274   29.418 -4.521057 39.92926 
1 1 1   14   24   14 o   52.331   22.966   1.6286   5.9804  -1.7298   8.5112   4.9037   8.4049   53.482   24.959   63.396   27.534 -9.913960 37.16279 
1 1 1   14   24   15 o   78.423   26.570   11.259   6.4284   16.732   9.0661   5.7244   9.1164   89.286   31.492   65.176   28.485 24.10966 42.46399 
1 1 1   14   24   16 o   44.608   20.953  -2.8956   6.1649  -2.5586   8.7086  -3.2341   8.7284   52.250   24.654   51.522   24.421 0.7284393 34.70219 
1 1 1   14   24   17 o   83.672   26.745   13.236   6.5481   8.3419   9.4054   17.839   9.1218   68.753   29.488   90.347   31.610 -21.59378 43.22848 
1 1 1   14   24   18 o   50.438   22.743   0.8245   6.2851  -0.0192   8.8808   1.6711   8.8962   54.929   25.587   57.175   26.269 -2.246235 36.67108 
1 1 1   14   24   19 o   54.459   23.945   2.8458   6.5286   3.8821   9.1633   1.7773   9.3040   60.194   27.272   57.508   26.581 2.685272 38.08301 
1 1 1   14   24   20 o   60.578   25.083   5.8916   6.4311   7.6591   9.2462   4.2352   8.9508   65.625   28.684   59.967   27.081 5.658520 39.44835 
1 1 1   14   24   21 o   77.915   28.425   12.953   7.4570   10.990   13.249   13.863   9.0217   69.903   32.095   77.230   30.508 -7.327309 44.28168 
1 1 1   14   24   22 o   46.681   22.785  -6.8282   9.0225   2.3760   14.107 -13.2000   11.737   61.333   29.594   47.842   23.828 13.49146 37.99394 
1 1 1   14   24   23 o   37.427   18.521  -9.6836   6.6621  -9.0840   13.622  -9.8721   7.6378   52.556   26.091   40.272   19.911 12.28474 32.82095 
1 1 1   14   24   24 o   81.062   32.666   19.054   10.551   0.0000   0.0000   19.054   10.551  ?   ?    81.062   32.666 0.000000 32.66583 
1 1 1   14   24   25 o   34.904   17.449 -11.7670   6.5540   2.6640   13.935 -15.8658   7.4267   58.187   28.382   34.982   17.634 23.20513 33.41378 
1 1 1   14   24   26 o   41.814   20.954 -13.1011   9.7191 -13.2600   15.584 -13.0000   12.433   50.163   25.319   46.524   23.368 3.639824 34.45438 
1 1 1   14   25    0 o  118.385   22.203   22.207   6.5586   29.951   9.8278   15.989   8.8064  128.298   30.093   90.880   31.097 37.41796 43.27315 
1 1 1   14   25    1 o  111.011   24.168   20.253   6.7525   19.778   9.7017   20.699   9.4041   99.368   32.618  102.821   31.944 -3.452415 45.65511 
1 1 1   14   25    2 o  195.218   14.752   54.062   7.4045   53.995   10.944   54.118   10.056  183.512   23.567  187.197   21.106 -3.685150 31.63633 
1 1 1   14   25    3 o  193.751   15.392   53.687   7.6612   44.105   10.979   62.779   10.695  160.563   27.381  202.188   20.714 -41.62541 34.33326 
1 1 1   14   25    4 o   97.209   24.507   15.830   6.1693   20.218   9.1857   12.225   8.3268  101.752   31.564   81.006   29.959 20.74568 43.51818 
1 1 1   14   25    5 o   44.582   20.660  -2.3012   5.6750   2.2742   7.9484  -7.0588   8.1051   58.921   26.140   46.879   22.572 12.04203 34.53644 
1 1 1   14   25    6 o   92.834   25.278   14.793   6.2423   13.581   9.0140   15.910   8.6529   83.439   31.108   90.200   30.825 -6.761292 43.79365 
1 1 1   14   25    7 o   50.680   22.683   0.3887   6.1239  -0.4298   8.7038   1.1912   8.6180   56.157   25.869   58.278   26.422 -2.121643 36.97744 
1 1 1   14   25    8 o   85.497   25.707   12.846   6.1550   19.654   9.0116   6.8919   8.4268   99.295   31.337   67.689   28.421 31.60553 42.30558 
1 1 1   14   25    9 o   56.543   23.906   3.4466   6.0293  -7.7969   8.2119   16.596   8.8808   46.017   22.294   90.423   31.214 -44.40534 38.35837 
1 1 1   14   25   10 o   55.592   23.366   3.4239   5.7054   4.6831   7.7963   1.9721   8.3716   61.968   26.716   58.245   26.257 3.722549 37.45930 
1 1 1   14   25   11 o   42.073   19.887  -3.6392   5.7118   1.0546   7.9444  -8.6618   8.2180   55.658   25.286   44.881   21.870 10.77771 33.43208 
1 1 1   14   25   12 o   50.417   23.127  -0.4532   6.8578   3.7234   8.5339  -8.0670   11.522   60.607   26.976   53.166   25.905 7.441029 37.40057 
1 1 1   14   25   13 o   49.427   22.717  -0.5817   6.6608   0.9920   8.6235  -2.9090   10.487   56.271   25.857   55.267   26.359 1.004650 36.92402 
1 1 1   14   25   14 f   43.909   20.626  -2.6732   5.9742   1.5457   9.0116  -5.9812   7.9797   57.332   26.378   46.114   22.252 11.21849 34.50983 
1 1 1   14   25   15 o   52.455   23.269   1.9924   6.2975   15.239   9.1275 -10.0421   8.6998   82.250   31.168   44.231   21.750 38.01833 38.00629 
1 1 1   14   25   16 o  131.609   21.295   28.566   7.0118   27.092   9.9590   30.015   9.8739  110.040   32.613  119.010   31.527 -8.969978 45.36004 
1 1 1   14   25   17 o   79.014   26.957   12.523   6.6177   4.8636   9.6701   19.271   9.0759   61.336   27.878   91.121   31.550 -29.78493 42.10178 
1 1 1   14   25   18 o   57.461   25.275   4.2992   7.2792  -1.9980   13.257   7.0175   8.7097   57.778   28.070   63.485   27.792 -5.706951 39.50057 
1 1 1   14   25   19 o   49.752   23.646  -1.9967   8.2913  -6.2090   12.622   1.2010   10.997   53.547   26.304   57.423   27.275 -3.875893 37.89182 
1 1 1   14   25   20 o   54.506   24.521   3.1123   7.2574  -0.3538   9.1885   8.8610   11.833   52.844   25.051   65.561   30.187 -12.71756 39.22713 
1 1 1   14   25   21 o   52.348   24.363   1.2153   8.0222 -12.3600   14.204   7.5743   9.7211   51.146   25.587   62.736   28.287 -11.59069 38.14237 
1 1 1   14   25   22 o   53.063   25.456  -0.2635   10.095   0.0000   0.0000  -0.2635   10.095  ?   ?    53.063   25.456 0.000000 25.45637 
1 1 1   14   25   23 o   39.198   19.504 -10.7103   7.7893 -22.8100   13.228  -4.2885   9.6372   44.132   22.392   48.139   23.508 -4.006424 32.46534 
1 1 1   14   25   24 o   88.943   28.848   19.115   7.5973   8.0660   15.700   22.493   8.6814   60.427   29.613   92.592   30.878 -32.16407 42.78283 
1 1 1   14   26    0 o  190.892   15.706   53.102   7.6974   46.312   10.743   60.266   11.034  163.335   26.284  192.768   22.523 -29.43263 34.61403 
1 1 1   14   26    1 o  215.735   14.511   66.681   8.0617   62.786   11.567   70.360   11.242  195.423   23.310  211.399   20.799 -15.97559 31.24043 
1 1 1   14   26    2 o  142.192   19.294   31.203   6.9227   37.348   10.140   25.839   9.4743  143.525   28.281  113.949   31.189 29.57677 42.10170 
1 1 1   14   26    3 o   67.175   25.956   7.6160   6.4122  -6.4404   8.8630   23.054   9.2884   48.769   23.512  106.344   31.490 -57.57516 39.29975 
1 1 1   14   26    4 o   65.867   25.674   7.1940   6.3164   11.308   9.2229   3.5602   8.6683   75.652   30.522   60.809   27.118 14.84351 40.82845 
1 1 1   14   26    5 o   46.983   21.577  -1.0289   5.9937   10.736   8.6702 -11.7976   8.2951   74.397   29.741   42.360   20.908 32.03675 36.35493 
1 1 1   14   26    6 o   64.176   25.445   6.6917   6.2973   5.6531   9.0822   7.6533   8.7390   64.393   28.280   67.715   28.714 -3.322655 40.30176 
1 1 1   14   26    7 o   33.993   16.882 -10.8026   5.7245 -16.3356   8.5905  -6.3833   7.6774   39.920   19.960   45.105   21.780 -5.185280 29.54284 
1 1 1   14   26    8 o   43.319   20.574  -3.8799   6.2548  -0.4659   8.9258  -7.1739   8.7674   54.801   25.569   47.246   22.924 7.555035 34.34044 
1 1 1   14   26    9 o   42.263   20.058  -3.7144   5.9250  -1.7744   8.4937  -5.5532   8.2691   52.051   24.496   47.320   22.788 4.730663 33.45628 
1 1 1   14   26   10 o   54.753   23.591   3.3103   6.0711  -2.6608   8.7157   8.9383   8.4616   51.286   24.337   68.823   28.657 -17.53714 37.59643 
1 1 1   14   26   11 o   89.805   26.559   15.454   6.6103   16.264   9.0934   14.546   9.6261   84.387   31.288   79.331   31.458 5.055954 44.36838 
1 1 1   14   26   12 o  100.116   25.658   18.599   6.6844   23.976   9.1329   12.396   9.8095  104.936   31.260   74.108   30.856 30.82872 43.92373 
1 1 1   14   26   13 o   80.114   28.228   13.490   7.2822   17.028   9.2450   7.7070   11.820   84.524   31.506   66.155   30.353 18.36865 43.74838 
1 1 1   14   26   14 o   53.016   23.972   2.0168   7.0389  -8.4521   8.7306   21.460   11.898   44.829   21.992   86.323   34.723 -41.49413 41.10178 
1 1 1   14   26   15 o   66.874   27.218   8.9956   7.4070   3.9650   13.083   11.369   8.9857   61.831   29.476   70.933   29.533 -9.102509 41.72539 
1 1 1   14   26   16 o  120.584   30.701   31.489   9.6146   30.890   14.243   31.990   13.032   93.807   37.900  100.956   37.451 -7.148849 53.28214 
1 1 1   14   26   17 o   55.730   25.063   3.7649   7.5737  -0.6688   9.7445   10.530   12.037   53.084   25.343   67.013   30.703 -13.92932 39.81126 
1 1 1   14   26   18 o   56.546   24.796   4.8173   6.9592  -2.6699   10.202   11.333   9.5172   51.492   24.923   68.499   29.525 -17.00716 38.63786 
1 1 1   14   26   19 o   47.116   21.979  -0.2029   6.5901  -6.4598   9.1907   6.4185   9.4546   46.118   22.612   60.119   27.418 -14.00167 35.53920 
1 1 1   14   26   20 o   77.550   31.906   18.088   10.317   12.300   14.060   24.840   15.186   65.553   31.050   76.951   34.960 -11.39823 46.75777 
1 1 1   14   26   21 o   44.787   21.734  -3.9034   7.8885   4.9692   9.3680 -25.5300   14.626   56.611   26.340   44.847   22.832 11.76369 34.85839 
1 1 1   14   26   22 o   31.813   16.087 -15.3867   6.4662 -22.4800   14.162 -13.5184   7.2681   44.633   22.698   35.358   17.774 9.275692 28.82940 
1 1 1   14   26   23 o   53.669   24.276   5.0030   7.2264   17.570   14.904   1.1407   8.2625   64.835   31.058   49.377   23.507 15.45721 38.95098 
1 1 1   14   27    0 o   98.418   26.350   18.236   6.8511   6.2057   9.5733   30.866   9.8089   63.881   28.492  122.177   30.957 -58.29615 42.07318 
1 1 1   14   27    1 o   52.663   23.234   2.3278   6.1956   9.4943   9.1811  -3.6645   8.3953   69.311   29.413   49.147   23.480 20.16378 37.63562 
1 1 1   14   27    2 o   52.252   23.353   1.8213   6.4665   2.9409   9.3783   0.8066   8.9284   58.951   27.043   55.473   25.779 3.478004 37.36151 
1 1 1   14   27    3 o   55.434   24.224   3.3838   6.5907  -1.7832   9.3251   8.5409   9.3162   53.085   25.186   67.426   29.136 -14.34087 38.51294 
1 1 1   14   27    4 o   53.967   23.753   2.8275   6.4384  -2.6802   9.3877   7.7189   8.8468   52.164   24.896   65.702   28.392 -13.53738 37.76110 
1 1 1   14   27    5 o   54.317   23.637   3.2520   6.2178   4.3775   9.4459   2.3915   8.2597   60.629   27.555   56.241   25.640 4.387619 37.63935 
1 1 1   14   27    6 o  113.830   24.616   23.254   7.0467   19.131   10.117   27.138   9.8203   87.335   32.879  109.782   32.344 -22.44720 46.12155 
1 1 1   14   27    7 f   61.325   25.429   6.3325   6.6232   8.5109   9.3577   4.1458   9.3756   66.475   28.962   59.788   27.281 6.687347 39.78716 
1 1 1   14   27    8 f   82.581   27.145   13.899   6.7183   0.8869   9.8506   25.215   9.1863   56.064   26.383  106.654   31.243 -50.59004 40.89217 
1 1 1   14   27    9 o   73.661   27.370   11.341   6.9663   7.1210   10.025   15.282   9.6871   63.811   28.753   78.319   31.392 -14.50836 42.56980 
1 1 1   14   27   10 o   50.771   23.641   0.1113   7.5698  -4.9110   12.915   2.7398   9.3430   54.649   26.797   57.031   26.457 -2.381802 37.65709 
1 1 1   14   27   11 o  121.992   27.152   29.089   8.3590   12.230   13.844   38.760   10.486   69.136   32.119  134.910   30.698 -65.77375 44.42932 
1 1 1   14   27   12 o   88.859   31.605   19.838   9.1496   11.090   13.485   27.300   12.455   67.440   31.453   92.681   36.073 -25.24121 47.85991 
1 1 1   14   27   13 o   84.841   31.707   18.876   9.3756   15.460   14.062   21.610   12.580   71.099   32.798   81.182   34.439 -10.08303 47.55795 
1 1 1   14   27   14 o   43.248   20.827  -4.0237   6.9064 -11.6833   8.9464   7.2740   10.865   41.969   20.886   62.081   28.705 -20.11136 35.49953 
1 1 1   14   27   15 o   31.727   15.990 -14.2957   6.0901 -14.6310   8.8717 -13.9968   8.3751   39.775   19.945   38.895   19.486 0.8797874 27.88355 
1 1 1   14   27   16 o   47.506   22.049   0.3936   6.5009   11.302   9.0410 -11.2846   9.3544   67.351   28.900   42.732   21.281 24.61926 35.88953 
1 1 1   14   27   17 f   57.537   25.680   5.8671   7.7902  -1.9760   13.570   9.7224   9.5141   54.355   26.812   63.681   28.404 -9.325478 39.05942 
1 1 1   14   27   18 o   51.891   24.908   0.5493   9.6959   4.9790   12.903  -5.1960   14.695   58.018   28.069   52.886   26.391 5.132763 38.52726 
1 1 1   14   27   19 o   43.326   21.181  -4.9426   7.8904  -2.9707   9.5369  -9.2210   14.048   47.970   23.416   49.701   24.946 -1.730419 34.21469 
1 1 1   14   27   20 o   51.495   23.287   3.8429   6.6452   14.804   9.2181  -8.0160   9.5882   69.569   29.495   43.808   21.772 25.76057 36.66016 
1 1 1   14   27   21 o   50.860   23.324   3.7283   6.9680   9.1225   10.168  -1.0485   9.5681   58.659   27.343   48.267   23.538 10.39255 36.07822 
1 1 1   14   28    0 o   35.897   17.905 -11.8367   6.7303 -13.5993   8.9528  -9.5460   10.206   41.086   20.518   46.557   23.019 -5.471527 30.83578 
1 1 1   14   28    1 o   41.793   20.404  -6.7022   7.2479 -17.0772   9.4932   7.7970   11.223   40.402   20.310   63.739   29.366 -23.33735 35.70544 
1 1 1   14   28    2 o   53.749   24.428   2.6743   7.4237  -9.4120   9.4339   22.330   12.031   45.019   22.234   84.532   34.579 -39.51324 41.10997 
1 1 1   14   28    3 o   77.037   28.991   13.832   7.8645   9.2427   10.048   21.090   12.635   65.453   29.192   80.797   34.403 -15.34396 45.11919 
1 1 1   14   28    4 o   58.222   26.247   4.9396   8.3648  -3.7260   11.992   13.150   11.673   53.419   26.115   70.195   31.374 -16.77623 40.82098 
1 1 1   14   28    5 o   56.652   25.088   4.6413   7.2905   10.618   10.190  -1.6270   10.436   67.148   29.702   52.879   25.499 14.26883 39.14598 
1 1 1   14   28    6 o   91.904   29.620   19.451   8.0188   14.965   10.419   25.970   12.559   73.794   31.325   88.297   35.619 -14.50266 47.43437 
1 1 1   14   28    7 o   96.157   29.541   21.030   8.0681   17.841   10.182   26.410   13.226   79.342   32.049   86.334   35.877 -6.991547 48.10726 
1 1 1   14   28    8 o   38.904   19.316 -10.4407   7.4771 -22.3789   9.4434   9.6200   12.241   37.311   18.930   64.505   30.045 -27.19371 35.51156 
1 1 1   14   28    9 o   40.045   19.701  -7.7999   7.1681  -8.7165   9.0085  -6.2180   11.835   43.913   21.695   50.598   24.974 -6.685539 33.08117 
1 1 1   14   28   10 o   43.720   20.853  -2.5164   6.5659  -0.3945   9.1260  -4.7936   9.4540   51.205   24.468   47.684   23.285 3.521187 33.77652 
1 1 1   14   28   11 o   70.290   26.744   11.187   6.7376   9.9099   9.3650   12.558   9.7008   64.409   28.483   68.512   29.669 -4.102791 41.12818 
1 1 1   14   28   12 o   29.611   15.011 -16.0936   5.8583 -23.5883   8.2534  -8.4836   8.3167   33.385   17.011   42.051   20.788 -8.665249 26.86164 
1 1 1   14   28   13 o   45.388   21.436  -0.9002   6.6119   3.2994   9.2309  -5.3250   9.4752   54.529   25.622   46.633   22.884 7.896191 34.35313 
1 1 1   14   28   14 o   47.877   23.164  -2.1854   8.7919 -15.1000   13.539   7.2310   11.561   46.956   23.688   59.383   28.136 -12.42643 36.77937 
1 1 1   14   28   15 o   50.659   24.612  -0.7992   10.193   12.880   13.442 -19.3100   15.637   63.647   30.209   47.481   24.117 16.16616 38.65480 
1 1 1   14   28   16 o   47.191   23.197  -4.0766   9.8670   2.0410   13.384 -11.3600   14.604   54.683   26.906   48.863   24.643 5.820324 36.48623 
1 1 1   14   28   17 o   53.768   24.076   5.2232   6.9082   7.5004   9.4910   2.6573   10.074   57.506   26.673   52.492   25.247 5.013691 36.72697 
1 1 1   14   28   18 o   55.666   24.720   6.6522   7.1256   14.792   9.9746  -1.8311   10.183   66.227   29.336   48.197   23.666 18.03013 37.69173 
1 1 1   14   28   19 o   56.364   24.602   7.3945   6.7808   7.1362   9.1405   7.7106   10.112   55.276   25.819   55.822   26.409 -0.5453262 36.93298 
1 1 1   14   28   20 o   44.302   21.181   0.0590   6.8584   4.4241   9.7564  -4.2053   9.6430   51.459   24.774   44.500   22.068 6.958721 33.17747 
1 1 1   14   29    0 o   84.510   30.722   19.313   8.6998   17.087   10.428   24.410   15.778   73.979   31.368   73.719   34.261 0.2595749 46.45211 
1 1 1   14   29    1 o   67.284   30.337   13.473   11.180   26.300   15.908   0.9568   15.715   75.389   34.815   56.939   28.225 18.45044 44.81866 
1 1 1   14   29    2 o   58.358   27.553   5.9044   10.907   6.0110   15.583   5.8020   15.271   59.730   29.318   59.529   29.179 0.2012596 41.36384 
1 1 1   14   29    3 o   74.345   31.883   18.100   10.994   11.690   15.517   24.560   15.578   63.336   30.675   74.030   34.280 -10.69379 46.00093 
1 1 1   14   29    4 o   57.518   27.299   5.2195   10.976  -0.4392   15.447   10.990   15.598   55.867   27.743   62.703   30.459 -6.835850 41.19979 
1 1 1   14   29    5 o   94.280   30.686   22.789   8.5932   45.210   16.201   14.012   10.137   97.222   39.989   68.854   30.066 28.36793 50.03141 
1 1 1   14   29    6 o   60.775   26.628   8.2262   8.0110   4.3340   15.198   9.7237   9.4269   58.057   28.587   62.619   28.076 -4.561882 40.06856 
1 1 1   14   29    7 o  116.787   29.130   30.850   8.7827   32.770   15.888   30.005   10.539   80.720   36.301  100.333   34.020 -19.61211 49.75086 
1 1 1   14   29    8 o   52.292   25.491  -0.1262   11.191   32.220   15.305 -37.2900   16.405   81.161   36.125   43.395   22.255 37.76601 42.43028 
1 1 1   14   29    9 o  108.548   35.780   37.139   11.669   30.890   16.043   44.160   17.005   77.117   35.374   89.120   38.928 -12.00358 52.59999 
1 1 1   14   29   10 o   62.163   28.659   10.776   10.714   4.1500   14.763   18.150   15.574   56.658   27.951   65.869   31.605 -9.211185 42.19117 
1 1 1   14   29   11 o   60.760   28.023   9.8074   10.259   15.790   14.425   3.6850   14.592   64.292   30.732   55.940   27.632 8.351830 41.32822 
1 1 1   14   29   12 o   53.630   25.795   3.5096   10.518   6.1220   14.331   0.4593   15.485   56.845   27.945   54.127   27.023 2.718044 38.87405 
1 1 1   14   29   13 f   36.337   18.311 -14.1143   7.9746  -4.4017   9.3445 -40.1500   15.299   45.448   22.385   40.387   20.758 5.061188 30.52844 
1 1 1   14   29   14 o   51.328   23.896   3.8483   7.7274   4.6179   9.7997   2.5830   12.565   53.341   25.451   52.914   26.042 0.4270477 36.41386 
1 1 1   14   29   15 o   49.428   23.024   3.1317   7.1906   7.9507   9.1029  -4.8650   11.726   56.412   26.151   47.252   23.579 9.160557 35.21123 
1 1 1   14   29   16 o   55.600   24.621   7.3721   7.0203   7.9786   10.145   6.8147   9.7251   55.408   26.282   54.232   25.727 1.176628 36.77824 
1 1 1   14   29   17 o   45.493   21.706   0.9691   7.1260   13.637   9.9970 -12.1164   10.160   61.091   27.987   40.503   20.443 20.58767 34.65790 
1 1 1   14   29   18 o   54.325   24.532   7.7355   7.3434   14.686   9.9134  -0.7149   10.931   61.274   27.995   47.010   23.343 14.26463 36.45061 
1 1 1   14   30    0 o   45.347   21.582  -0.2825   6.9529   5.7166   10.068  -5.7524   9.6136   55.014   26.121   44.835   22.198 10.17893 34.27909 
1 1 1   14   30    1 o   42.353   20.466  -2.6443   6.8082  -4.4644   9.5142  -0.7342   9.7467   45.611   22.489   48.821   23.796 -3.209820 32.74199 
1 1 1   14   30    2 o   56.669   24.941   7.0393   7.0982  -1.1652   10.213   14.706   9.8724   48.978   23.977   66.747   29.395 -17.76897 37.93332 
1 1 1   14   30    3 o   57.357   25.143   7.4310   7.1496   4.6616   10.512   9.8149   9.7529   54.101   25.960   59.792   27.484 -5.691055 37.80585 
1 1 1   14   30    4 o   44.281   21.142  -0.8583   6.7840   1.0864   9.5134  -2.8704   9.6767   50.068   24.193   46.946   23.055 3.122066 33.41952 
1 1 1   14   30    5 o   47.455   22.119   1.7630   6.6526   9.8784   9.3827  -6.4412   9.4340   59.844   27.301   43.939   21.796 15.90519 34.93404 
1 1 1   14   30    6 o   45.118   21.496  -0.2645   6.9370  -7.9465   10.169   6.4214   9.4871   44.039   21.973   55.274   25.973 -11.23568 34.02043 
1 1 1   14   30    7 o   70.916   27.493   13.785   7.2125   15.875   10.324   11.792   10.081   66.754   29.694   61.402   28.120 5.351753 40.89555 
1 1 1   14   30    8 o   38.822   19.132  -6.0058   6.8584 -18.0912   9.8285   5.4637   9.5748   38.062   19.311   53.772   25.514 -15.70986 31.99798 
1 1 1   14   30    9 f   54.314   24.119   6.3043   6.7828   11.543   9.3866   0.5798   9.8120   61.032   27.632   49.039   23.897 11.99333 36.53186 
1 1 1   14   30   10 o   42.464   20.546  -2.0190   6.9195   2.0900   9.7445  -6.1981   9.8273   49.955   24.222   43.899   21.854 6.055485 32.62355 
1 1 1   14   30   11 o   50.338   23.145   4.3283   6.9236   3.3118   9.8513   5.3205   9.7327   50.718   24.534   52.554   25.155 -1.836739 35.13811 
1 1 1   14   30   12 o   49.481   22.908   4.0071   6.9526   10.420   9.5618  -3.1873   10.127   57.707   26.769   45.573   22.603 12.13430 35.03522 
1 1 1   14   30   13 o   38.631   19.019  -4.7866   6.7208   3.7472   9.1165 -14.9456   9.9468   49.799   23.968   38.658   19.593 11.14121 30.95734 
1 1 1   14   30   14 o   36.875   18.507  -9.7572   7.7231 -10.2257   9.4191  -8.7960   13.492   39.725   20.004   44.997   22.808 -5.272823 30.33691 
1 1 1   14   30   15 f   50.711   23.899   5.9753   8.1371   11.280   10.288  -2.8850   13.297   55.603   26.402   46.619   23.512 8.984493 35.35374 
1 1 1   14   31    0 o   58.024   25.065   9.1149   6.8894   0.6672   10.036   16.645   9.4749   47.859   23.498   66.223   28.989 -18.36410 37.31654 
1 1 1   14   31    1 f   50.670   23.286   4.9990   6.9963   6.2202   10.234   3.9275   9.5863   52.554   25.319   50.318   24.307 2.235992 35.09835 
1 1 1   14   31    2 o   49.538   22.883   4.2941   6.8796   4.0540   9.9505   4.5140   9.5219   50.546   24.501   50.824   24.469 -0.2774849 34.62746 
1 1 1   14   31    3 o   82.219   28.591   19.597   7.4575   20.653   10.510   18.526   10.583   69.440   30.461   66.071   29.678 3.368828 42.52805 
1 1 1   14   31    4 o   57.814   25.335   9.3692   7.2537   6.2923   10.303   12.393   10.214   52.408   25.288   58.685   27.371 -6.276596 37.26501 
1 1 1   14   31    5 o   47.315   22.210   2.9073   6.9065   2.2990   9.7030   3.5320   9.8330   48.638   23.715   49.739   24.166 -1.100933 33.85868 
1 1 1   14   31    6 o   45.966   21.850   1.8461   7.0852   5.2572   10.219  -1.3112   9.8319   51.120   24.791   45.822   22.643 5.298328 33.57556 
1 1 1   14   31    7 o   47.293   22.280   3.0604   7.0605  -4.4554   9.7812   11.237   10.202   43.510   21.683   56.572   26.691 -13.06272 34.38848 
1 1 1   14   31    8 o   63.213   26.464   12.608   7.2718   8.0106   10.020   17.725   10.570   53.007   25.411   63.217   28.893 -10.21029 38.47741 
1 1 1   14   31    9 o   58.956   25.716   10.916   7.3978   18.155   10.224   2.9614   10.717   63.996   28.918   48.561   23.929 15.43542 37.53492 
1 1 1   14   31   10 o   54.487   24.480   8.5512   7.2052   15.719   10.136   1.2276   10.245   60.264   27.816   46.747   23.103 13.51706 36.15891 
1 1 1   14   31   11 o   46.956   22.117   3.8150   6.9519   9.7029   9.5868  -2.7147   10.096   53.374   25.385   43.716   21.825 9.657745 33.47675 
1 1 1   14   31   12 o   43.863   21.047   1.6776   6.9096  -0.2439   9.8627   3.5297   9.6831   44.615   22.158   47.195   23.154 -2.580414 32.04806 
1 1 1   14   31   13 f   45.282   21.687   3.1264   7.2597   3.0900   10.474   3.1600   10.072   46.505   23.051   46.436   22.941 0.6979370E-01 32.52159 
1 1 1   14   32    0 o   41.616   20.258  -0.3388   6.9985   5.8670   9.8345  -6.7060   9.9615   48.787   23.807   40.788   20.543 7.998936 31.44500 
1 1 1   14   32    1 o   30.864   15.692 -14.8630   6.7367 -17.5790   9.8983 -12.5193   9.1948   36.024   18.380   36.971   18.749 -0.9469910 26.25536 
1 1 1   14   32    2 f   45.515   21.662   3.2161   7.0038 -10.6372   9.9113   17.034   9.8985   38.837   19.670   60.198   27.677 -21.36155 33.95487 
1 1 1   14   32    3 o   36.525   18.188  -5.8288   6.8264  -5.6924   9.9428  -5.9503   9.3890   41.213   20.727   40.450   20.316 0.7627106 29.02335 
1 1 1   14   32    4 o   72.719   27.963   18.458   7.4146   12.098   10.557   24.649   10.416   53.507   25.763   68.829   30.255 -15.32193 39.73787 
1 1 1   14   32    5 f   54.940   24.555   9.9558   7.1500   7.7572   9.8223   12.434   10.428   49.899   24.223   53.676   25.783 -3.776840 35.37661 
1 1 1   14   32    6 o   45.474   21.821   3.4671   7.4267  -5.6776   10.481   12.689   10.525   41.352   20.858   53.479   25.743 -12.12677 33.13224 
1 1 1   14   32    7 o   41.127   20.161  -0.5538   7.2938 -16.5142   10.349   15.196   10.281   36.566   18.669   55.779   26.458 -19.21329 32.38166 
1 1 1   14   32    8 o   52.316   23.910   9.1093   7.2378   9.4458   10.102   8.7543   10.375   50.144   24.394   49.462   24.204 0.6826820 34.36385 
1 1 1   14   32    9 o   51.864   23.772   9.1223   7.2261   13.323   10.471   5.3023   9.9847   52.594   25.406   46.528   22.960 6.065769 34.24377 
1 1 1   14   33    0 o   37.826   18.827  -2.5087   7.2801  -6.6149   10.200   1.7544   10.393   38.591   19.589   42.636   21.408 -4.044529 29.01791 
1 1 1   14   33    1 o   33.461   16.932  -9.3757   7.2404  -8.4336   10.176 -10.3416   10.304   37.829   19.238   37.221   18.969 0.6079826 27.01752 
1 1 1   14   33    2 o   50.353   23.545   10.105   7.6349   25.279   10.985  -4.0776   10.619   59.876   28.075   39.945   20.245 19.93112 34.61336 
1 1 1   14   33    3 o   43.593   21.011   4.2573   7.0663 -12.4496   10.097   20.296   9.8927   36.134   18.448   57.579   26.883 -21.44451 32.60376 
1 1 1   14   33    4 o   61.031   26.312   16.797   7.5621   5.4712   10.766   27.826   10.624   44.370   22.208   63.747   29.069 -19.37729 36.58174 
1 1 1   15    0    0 o  239.804   11.895   75.416   7.3471   75.416   7.3471   75.416   7.3471  239.804   11.895  239.804   11.895 0.000000 0.000000 
1 1 1   15    0    1 o  464.023   11.910  280.905   14.294  280.905   14.294  280.905   14.294  464.023   11.910  464.023   11.910 0.000000 0.000000 
1 1 1   15    0    2 o  109.547   14.146   16.412   3.8298   16.412   3.8298   16.412   3.8298  109.547   14.146  109.547   14.146 0.000000 0.000000 
1 1 1   15    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    9 o  168.389   11.539   37.468   4.9788   37.468   4.9788   37.468   4.9788  168.389   11.539  168.389   11.539 0.000000 0.000000 
1 1 1   15    0   10 o  179.664   12.028   42.664   5.5399   42.664   5.5399   42.664   5.5399  179.664   12.028  179.664   12.028 0.000000 0.000000 
1 1 1   15    0   11 o  331.205   11.495  143.577   9.8349  143.577   9.8349  143.577   9.8349  331.205   11.495  331.205   11.495 0.000000 0.000000 
1 1 1   15    0   12 o  409.617   11.931  219.591   12.634  219.591   12.634  219.591   12.634  409.617   11.931  409.617   11.931 0.000000 0.000000 
1 1 1   15    0   13 o  218.433   12.837   63.033   7.2060   63.033   7.2060   63.033   7.2060  218.433   12.837  218.433   12.837 0.000000 0.000000 
1 1 1   15    0   14 o  207.728   13.657   57.263   7.2757   57.263   7.2757   57.263   7.2757  207.728   13.657  207.728   13.657 0.000000 0.000000 
1 1 1   15    0   15 f  340.590   12.518  152.463   11.009  152.463   11.009  152.463   11.009  340.590   12.518  340.590   12.518 0.000000 0.000000 
1 1 1   15    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   17 o   55.526   28.776   6.2661   5.3479   6.2661   5.3479   6.2661   5.3479   55.526   28.776   55.526   28.776 0.000000 0.000000 
1 1 1   15    0   18 o   53.391   28.610   5.7673   5.4293   5.7673   5.4293   5.7673   5.4293   53.391   28.610   53.391   28.610 0.000000 0.000000 
1 1 1   15    0   19 o  124.586   22.749   22.826   6.6174   22.826   6.6174   22.826   6.6174  124.586   22.749  124.586   22.749 0.000000 0.000000 
1 1 1   15    0   20 o   24.422   17.464  -7.3316   5.0490  -7.3316   5.0490  -7.3316   5.0490   24.422   17.464   24.422   17.464 0.000000 0.000000 
1 1 1   15    0   21 o   35.723   23.680  -0.8284   5.7772  -0.8284   5.7772  -0.8284   5.7772   35.723   23.680   35.723   23.680 0.000000 0.000000 
1 1 1   15    0   22 o   34.895   22.733   0.0762   4.9823   0.0762   4.9823   0.0762   4.9823   34.895   22.733   34.895   22.733 0.000000 0.000000 
1 1 1   15    0   23 o  199.176   15.472   53.901   7.8716   53.901   7.8716   53.901   7.8716  199.176   15.472  199.176   15.472 0.000000 0.000000 
1 1 1   15    0   24 o   50.843   28.522   5.3605   5.6653   5.3605   5.6653   5.3605   5.6653   50.843   28.522   50.843   28.522 0.000000 0.000000 
1 1 1   15    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   26 o  122.353   26.448   23.693   7.3517   23.693   7.3517   23.693   7.3517  122.353   26.448  122.353   26.448 0.000000 0.000000 
1 1 1   15    0   27 o  148.509   22.108   32.727   7.9499   32.727   7.9499   32.727   7.9499  148.509   22.108  148.509   22.108 0.000000 0.000000 
1 1 1   15    0   28 o   59.377   32.394   8.4384   7.0781   8.4384   7.0781   8.4384   7.0781   59.377   32.394   59.377   32.394 0.000000 0.000000 
1 1 1   15    0   29 o   69.589   33.886   11.574   7.1831   11.574   7.1831   11.574   7.1831   69.589   33.886   69.589   33.886 0.000000 0.000000 
1 1 1   15    0   30 o   70.617   34.250   12.199   7.3258   12.199   7.3258   12.199   7.3258   70.617   34.250   70.617   34.250 0.000000 0.000000 
1 1 1   15    0   31 o   27.794   20.048 -10.5517   7.3114 -10.5517   7.3114 -10.5517   7.3114   27.794   20.048   27.794   20.048 0.000000 0.000000 
1 1 1   15    0   32 o   57.239   33.434   9.0962   8.2505   9.0962   8.2505   9.0962   8.2505   57.239   33.434   57.239   33.434 0.000000 0.000000 
1 1 1   15    0   33 o   39.225   26.311   0.7198   7.5027   0.7198   7.5027   0.7198   7.5027   39.225   26.311   39.225   26.311 0.000000 0.000000 
1 1 1   15    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   35 o   27.234   19.816 -12.5222   8.0008 -12.5222   8.0008 -12.5222   8.0008   27.234   19.816   27.234   19.816 0.000000 0.000000 
1 1 1   15    1    0 f   78.979   13.577   8.3944   2.6775   8.5728   3.5633   8.1631   4.0577   79.070   17.824   77.025   20.118 2.044792 26.87797 
1 1 1   15    1    1 o   79.865   12.155   8.5214   2.4352   8.0102   3.2043   9.2204   3.7470   76.557   16.634   81.997   18.123 -5.440926 24.59966 
1 1 1   15    1    2 o  161.176   13.625   34.270   5.6351   32.140   9.2188   35.540   7.1201  153.146   24.030  163.327   17.083 -10.18108 29.48306 
1 1 1   15    1    3 o   83.042   19.096   9.4897   4.0218   8.8400   7.2366   9.7800   4.8377   82.960   28.190   84.082   21.969 -1.121918 35.73958 
1 1 1   15    1    4 o  299.439   10.842  117.010   8.4092   0.0000   0.0000  117.010   8.4092  ?   ?   299.439   10.842 0.000000 10.84161 
1 1 1   15    1    5 o  200.020   11.073   52.391   5.7145   0.0000   0.0000   52.391   5.7145  ?   ?   200.020   11.073 0.000000 11.07265 
1 1 1   15    1    6 o   99.564   13.105   13.203   3.2977   0.0000   0.0000   13.203   3.2977  ?   ?    99.564   13.105 0.000000 13.10523 
1 1 1   15    1    7 o  147.841   11.851   28.761   4.5000   0.0000   0.0000   28.761   4.5000  ?   ?   147.841   11.851 0.000000 11.85053 
1 1 1   15    1    8 f  349.933   11.201  160.012   10.153   0.0000   0.0000  160.012   10.153  ?   ?   349.933   11.201 0.000000 11.20124 
1 1 1   15    1    9 f  177.767   12.079   41.551   5.5291   0.0000   0.0000   41.551   5.5291  ?   ?   177.767   12.079 0.000000 12.07913 
1 1 1   15    1   10 o  142.102   13.448   26.738   4.8910   0.0000   0.0000   26.738   4.8910  ?   ?   142.102   13.448 0.000000 13.44755 
1 1 1   15    1   11 o  203.992   8.5296   54.204   4.5071   54.094   6.1870   54.330   6.5790  202.917   11.822  203.177   12.562 -0.2596283 17.25036 
1 1 1   15    1   12 o  154.943   9.6781   31.453   3.8649   35.713   5.3471   26.792   5.5927  164.506   12.645  141.639   15.496 22.86769 20.00089 
1 1 1   15    1   13 o  266.474   8.5895   92.554   5.9289   93.692   8.3560   91.401   8.4136  267.279   12.069  263.927   12.307 3.352844 17.23745 
1 1 1   15    1   14 f  166.374   10.402   36.342   4.4602   30.801   6.2874   41.954   6.3282  151.585   16.267  177.920   13.840 -26.33499 21.35808 
1 1 1   15    1   15 o  116.407   19.901   18.673   5.7851   18.673   5.7851   0.0000   0.0000  116.407   19.901  ?   ?  0.000000 19.90090 
1 1 1   15    1   16 o  148.304   16.950   29.676   6.3945   0.0000   0.0000   29.676   6.3945  ?   ?   148.304   16.950 0.000000 16.95009 
1 1 1   15    1   17 o  185.810   10.921   45.458   5.2330   46.311   7.4518   44.629   7.3504  185.990   15.612  182.526   15.699 3.464066 22.14051 
1 1 1   15    1   18 o   42.492   18.178   0.0877   3.5579  -3.6372   5.1268   3.5487   4.9417   42.795   19.763   59.399   22.831 -16.60353 30.19699 
1 1 1   15    1   19 o   90.917   18.421   11.529   4.1895   7.1586   5.7168   16.599   6.1575   73.297   25.055  107.936   22.741 -34.63911 33.83637 
1 1 1   15    1   20 o  450.662   9.0830  266.007   10.603  255.000   20.393  270.085   12.413  434.066   18.138  453.206   10.573 -19.14050 20.99451 
1 1 1   15    1   21 o  117.790   15.185   18.843   4.5252   8.4100   8.6835   22.733   5.3021   81.343   30.492  129.152   16.206 -47.80825 34.53112 
1 1 1   15    1   22 o  163.145   12.537   35.497   5.2577   24.930   10.172   39.349   6.1416  127.376   31.101  171.234   13.968 -43.85789 34.09372 
1 1 1   15    1   23 o   73.955   19.912   7.7973   3.8991   12.630   5.4901   2.8791   5.5385   93.152   22.912   58.743   23.669 34.40906 32.94178 
1 1 1   15    1   24 o   35.573   16.622  -3.2951   3.7936  -2.0568   5.5077  -4.4129   5.2328   47.043   21.244   41.594   19.463 5.449417 28.81171 
1 1 1   15    1   25 o  215.231   21.297   65.420   11.718   0.0000   0.0000   65.420   11.718  ?   ?   215.231   21.297 0.000000 21.29732 
1 1 1   15    1   26 o  145.651   17.071   29.361   6.3182   30.016   7.6628   27.970   11.167  144.996   21.015  131.447   32.879 13.54904 39.02160 
1 1 1   15    1   27 o  180.281   12.378   43.641   5.7454   45.476   8.2712   41.930   7.9868  180.649   17.912  173.311   18.056 7.337875 25.43345 
1 1 1   15    1   28 o   76.221   22.377   8.6269   4.7079   4.1090   6.6463   13.177   6.6697   63.949   25.871   92.034   26.525 -28.08485 37.05280 
1 1 1   15    1   29 o   80.170   22.465   9.6859   4.8522   8.0250   6.7440   11.468   6.9865   74.465   27.053   85.382   27.661 -10.91683 38.69096 
1 1 1   15    1   30 o   95.132   22.663   13.768   5.5049   23.227   7.7058   3.9091   7.8668  122.479   25.131   65.519   27.483 56.95998 37.24081 
1 1 1   15    1   31 o   87.659   24.077   12.021   5.6346   2.6182   8.4235   19.635   7.5802   63.821   27.642  110.486   26.768 -46.66518 38.47870 
1 1 1   15    1   32 o  191.217   13.905   50.364   6.8400   48.144   9.6854   52.573   9.6611  180.157   21.158  189.592   19.973 -9.435867 29.09560 
1 1 1   15    1   33 o   85.209   24.887   11.705   5.8366   20.471   8.4306   3.6363   8.0884  109.298   29.216   64.049   27.405 45.24821 40.05749 
1 1 1   15    1   34 o  128.281   37.790   33.800   13.406   0.0000   0.0000   33.800   13.406  ?   ?   128.281   37.790 0.000000 37.78982 
1 1 1   15    1   35 o   68.464   26.790   7.0438   6.8980   5.3765   8.5322   10.190   11.720   66.728   28.338   78.282   33.227 -11.55337 43.67027 
1 1 1   15    2    0 o  259.154   8.2610   87.355   5.5455   90.919   7.8894   83.875   7.7964  263.852   11.543  253.364   11.880 10.48859 16.56421 
1 1 1   15    2    1 o  295.107   12.476  113.897   9.5366  101.900   14.262  123.600   12.826  276.346   20.060  305.983   16.240 -29.63699 25.81021 
1 1 1   15    2    2 o  173.977   14.869   40.028   6.6365   36.940   10.599   42.020   8.5113  163.709   25.853  177.210   18.831 -13.50089 31.98425 
1 1 1   15    2    3 o  200.087   13.482   52.686   6.9468   56.300   11.016   50.300   8.9512  204.597   21.088  194.280   17.991 10.31744 27.71949 
1 1 1   15    2    4 o   44.108   19.264  -0.7279   4.1626  -0.7831   7.9370  -0.7070   4.8889   61.316   26.694   48.039   20.931 13.27769 33.92201 
1 1 1   15    2    5 o  324.105   11.268  137.201   9.4602   0.0000   0.0000  137.201   9.4602  ?   ?   324.105   11.268 0.000000 11.26844 
1 1 1   15    2    6 o  385.523   11.459  194.223   11.443   0.0000   0.0000  194.223   11.443  ?   ?   385.523   11.459 0.000000 11.45925 
1 1 1   15    2    7 o  396.898   11.629  205.956   11.956   0.0000   0.0000  205.956   11.956  ?   ?   396.898   11.629 0.000000 11.62910 
1 1 1   15    2    8 o  129.632   14.238   22.334   4.7021   0.0000   0.0000   22.334   4.7021  ?   ?   129.632   14.238 0.000000 14.23788 
1 1 1   15    2    9 o  347.317   11.761  157.836   10.581   0.0000   0.0000  157.836   10.581  ?   ?   347.317   11.761 0.000000 11.76144 
1 1 1   15    2   10 f  146.527   14.673   28.533   5.4941   0.0000   0.0000   28.533   5.4941  ?   ?   146.527   14.673 0.000000 14.67261 
1 1 1   15    2   11 o  162.689   14.144   35.077   5.9011   0.0000   0.0000   35.077   5.9011  ?   ?   162.689   14.144 0.000000 14.14378 
1 1 1   15    2   12 o  350.208   8.2744  159.753   7.5061  153.132   10.207  167.551   11.077  341.962   11.523  357.548   11.960 -15.58588 16.60776 
1 1 1   15    2   13 o  293.173   8.5284  112.030   6.4765  129.555   9.1479   94.417   9.1706  314.541   11.228  267.956   13.212 46.58499 17.33868 
1 1 1   15    2   14 o  199.574   13.708   52.717   7.0437   52.717   7.0437   0.0000   0.0000  199.574   13.708  ?   ?  0.000000 13.70842 
1 1 1   15    2   15 o  264.521   13.118   92.157   8.9881   0.0000   0.0000   92.157   8.9881  ?   ?   264.521   13.118 0.000000 13.11766 
1 1 1   15    2   16 o   54.250   19.646   3.3778   3.5528   1.2816   5.1722   5.2503   4.8885   53.865   22.414   65.324   23.116 -11.45882 32.19881 
1 1 1   15    2   17 o  153.310   17.298   31.819   6.7493   0.0000   0.0000   31.819   6.7493  ?   ?   153.310   17.298 0.000000 17.29797 
1 1 1   15    2   18 o  197.868   15.146   52.390   7.7039   0.0000   0.0000   52.390   7.7039  ?   ?   197.868   15.146 0.000000 15.14594 
1 1 1   15    2   19 o  133.953   12.453   23.896   4.2715   18.950   8.2890   25.685   4.9843  113.149   28.342  138.394   14.101 -25.24482 31.65578 
1 1 1   15    2   20 o   79.527   18.834   8.9119   3.8199   3.3330   7.2844   11.028   4.4862   65.924   26.930   88.247   20.078 -22.32297 33.59095 
1 1 1   15    2   21 o  273.253   10.614   98.304   7.5130   90.360   12.900  102.382   9.2423  256.406   19.570  277.816   12.843 -21.41043 23.40789 
1 1 1   15    2   22 o  158.406   12.790   33.522   5.2034   33.010   10.268   33.699   6.0358  149.454   27.538  157.967   14.928 -8.513519 31.32394 
1 1 1   15    2   23 o  242.811   11.609   78.039   7.3012   66.650   13.310   82.941   8.7324  215.781   24.232  248.995   13.591 -33.21436 27.78257 
1 1 1   15    2   24 o  185.144   16.315   46.741   7.7445   45.070   11.954   47.950   10.167  174.302   27.378  184.087   21.741 -9.784454 34.96029 
1 1 1   15    2   25 o  165.471   12.402   36.651   5.2770   30.026   7.5908   42.847   7.3411  145.518   20.724  177.037   16.188 -31.51888 26.29657 
1 1 1   15    2   26 o   77.288   27.329   8.4624   6.8315   4.0430   9.0193   14.410   10.463   70.428   29.477   95.651   33.822 -25.22272 44.86445 
1 1 1   15    2   27 o  199.039   12.104   53.090   6.2109   56.466   9.1061   50.153   8.4929  201.612   17.614  190.059   17.446 11.55286 24.79117 
1 1 1   15    2   28 o  101.123   20.594   14.948   5.2110   14.949   7.4838   14.947   7.2602   97.054   28.134   97.341   27.552 -0.2869110 39.37774 
1 1 1   15    2   29 o  109.710   19.581   17.458   5.3604   21.800   7.9622   13.859   7.2494  117.879   26.696   93.031   27.882 24.84823 38.60197 
1 1 1   15    2   30 f   50.740   21.591   1.2146   4.9708   6.4552   7.0458  -3.9784   7.0137   69.866   27.149   48.964   22.785 20.90194 35.44323 
1 1 1   15    2   31 o   58.422   23.102   3.8489   5.1781   2.1218   7.4393   5.4721   7.2119   60.353   26.058   67.188   27.031 -6.835400 37.54612 
1 1 1   15    2   32 o   82.727   24.205   10.818   5.5168   14.126   7.6969   7.3228   7.9113   91.399   28.973   72.253   28.561 19.14524 40.68385 
1 1 1   15    2   33 o  121.764   20.127   22.090   6.1264   31.043   9.0512   14.521   8.3227  139.028   26.092   91.035   30.227 47.99304 39.93079 
1 1 1   15    2   34 o   45.696   21.701  -5.4825   6.9545   10.910   13.118 -11.8902   8.2019   81.445   34.876   43.586   21.369 37.85991 40.90144 
1 1 1   15    2   35 o   59.377   25.548   3.0389   7.1003   11.167   8.7863 -12.2600   12.054   79.457   30.467   53.648   26.218 25.80984 40.19432 
1 1 1   15    3    0 o  499.989   12.787  327.169   16.561  317.700   23.703  336.200   23.148  489.824   18.682  504.441   17.716 -14.61667 25.74594 
1 1 1   15    3    1 o  333.062   12.633  145.149   10.899  140.900   16.152  148.700   14.768  325.446   19.246  335.303   17.059 -9.857300 25.71824 
1 1 1   15    3    2 o  231.004   13.821   70.211   8.2323   69.380   12.656   70.820   10.839  227.030   21.788  230.670   18.290 -3.639816 28.44724 
1 1 1   15    3    3 o  106.982   21.844   15.802   5.8485   15.300   9.4787   16.110   7.4319  104.571   32.002  106.996   26.857 -2.424385 41.77818 
1 1 1   15    3    4 o  118.538   19.927   19.148   5.9016   32.340   9.5189   10.910   7.5218  153.178   24.841   89.755   28.662 63.42284 37.92897 
1 1 1   15    3    5 o   37.228   17.731  -5.9217   4.7126   3.8820   7.8709 -11.4000   5.8837   70.816   28.328   36.888   18.088 33.92801 33.60982 
1 1 1   15    3    6 o  195.416   12.811   50.230   6.4489   0.0000   0.0000   50.230   6.4489  ?   ?   195.416   12.811 0.000000 12.81109 
1 1 1   15    3    7 o  216.657   12.420   61.658   6.9409   0.0000   0.0000   61.658   6.9409  ?   ?   216.657   12.420 0.000000 12.41956 
1 1 1   15    3    8 o  383.768   12.010  192.762   11.939   0.0000   0.0000  192.762   11.939  ?   ?   383.768   12.010 0.000000 12.00986 
1 1 1   15    3    9 o  327.598   12.053  140.522   10.228   0.0000   0.0000  140.522   10.228  ?   ?   327.598   12.053 0.000000 12.05287 
1 1 1   15    3   10 o  124.840   16.975   20.989   5.3468   0.0000   0.0000   20.989   5.3468  ?   ?   124.840   16.975 0.000000 16.97470 
1 1 1   15    3   11 o  175.246   13.863   40.637   6.2416   0.0000   0.0000   40.637   6.2416  ?   ?   175.246   13.863 0.000000 13.86298 
1 1 1   15    3   12 o  100.201   15.521   13.561   3.8983   13.561   3.8983   0.0000   0.0000  100.201   15.521  ?   ?  0.000000 15.52129 
1 1 1   15    3   13 o  316.404   8.5561  130.508   7.0124  127.158   9.4736  134.568   10.429  311.422   11.744  320.080   12.579 -8.658722 17.20901 
1 1 1   15    3   14 o  106.084   13.989   15.086   3.7504   15.585   5.1414   14.518   5.4827  106.328   19.382  101.940   21.443 4.387779 28.90415 
1 1 1   15    3   15 o  121.098   13.425   19.559   4.1404   25.965   5.8307   13.043   5.8804  138.801   16.543   95.861   23.793 42.94000 28.97949 
1 1 1   15    3   16 o  224.215   9.8563   65.787   5.7244   61.899   7.9422   69.991   8.2581  215.830   14.287  229.693   13.946 -13.86253 19.96510 
1 1 1   15    3   17 o   59.583   23.652   3.0139   5.4468   0.0000   0.0000   3.0139   5.4468  ?   ?    59.583   23.652 0.000000 23.65204 
1 1 1   15    3   18 o  242.444   9.4762   76.970   5.9511   72.490   11.851   78.480   6.8816  230.192   20.077  244.390   10.871 -14.19771 22.83090 
1 1 1   15    3   19 f   78.872   18.884   8.7508   3.8070   15.500   7.6741   6.5476   4.3845  102.401   28.087   69.046   21.865 33.35435 35.59488 
1 1 1   15    3   20 o   64.602   20.261   5.7215   3.7730   16.330   7.4919   2.1166   4.3673  104.995   27.294   52.431   21.056 52.56489 34.47203 
1 1 1   15    3   21 o  132.526   13.594   23.595   4.6004   23.260   8.5171   23.733   5.4664  125.452   27.009  131.885   16.352 -6.433258 31.57306 
1 1 1   15    3   22 f  115.634   16.097   18.321   4.6906   17.630   9.3476   18.553   5.4228  106.815   31.581  115.279   18.809 -8.463409 36.75742 
1 1 1   15    3   23 o  231.463   13.690   71.766   8.1716   83.130   13.401   65.039   10.310  243.498   21.466  217.374   18.486 26.12444 28.32923 
1 1 1   15    3   24 o   62.905   22.151   5.1434   4.4836  -7.0770   9.7957   8.3821   5.0429   56.486   26.494   76.228   23.345 -19.74156 35.31171 
1 1 1   15    3   25 o  119.159   16.444   19.619   4.9404   47.590   11.185   12.840   5.5066  180.719   24.528   93.383   22.932 87.33572 33.57863 
1 1 1   15    3   26 o  114.166   32.888   21.310   10.255   0.0000   0.0000   21.310   10.255  ?   ?   114.166   32.888 0.000000 32.88779 
1 1 1   15    3   27 o  148.342   14.067   29.953   5.3406   32.481   8.1608   28.059   7.0632  149.856   21.651  140.181   20.021 9.675049 29.48903 
1 1 1   15    3   28 o  109.860   19.250   17.362   5.2785   21.843   7.9277   13.795   7.0746  118.713   26.457   93.535   27.423 25.17798 38.10524 
1 1 1   15    3   29 o  155.233   15.118   33.284   6.0019   30.940   8.7534   35.364   8.2454  142.789   24.551  155.807   20.962 -13.01721 32.28296 
1 1 1   15    3   30 o  120.809   18.284   20.961   5.5426   13.273   7.8897   28.452   7.7882   89.741   29.413  137.781   22.606 -48.04076 37.09660 
1 1 1   15    3   31 o   46.195   20.900  -1.4602   5.3598  -7.0041   7.7731   3.5648   7.4004   47.611   22.703   63.134   26.578 -15.52375 34.95448 
1 1 1   15    3   32 o   99.452   22.508   15.252   5.6631   20.108   8.3168   11.053   7.7328  109.065   28.955   81.924   29.064 27.14113 41.02580 
1 1 1   15    3   33 o  195.238   20.639   56.703   10.279   48.680   14.632   64.520   14.444  161.074   35.978  196.543   29.264 -35.46820 46.37710 
1 1 1   15    3   34 o  104.316   23.906   17.430   6.3213   10.437   9.2035   23.675   8.6973   78.760   30.909  116.991   28.875 -38.23122 42.29831 
1 1 1   15    3   35 o   61.059   27.093   2.3334   8.5423  -8.2740   11.256   16.740   13.118   54.804   26.441   88.922   36.210 -34.11881 44.83638 
1 1 1   15    4    0 o  163.383   28.380   37.290   11.575   37.290   11.575   0.0000   0.0000  163.383   28.380  ?   ?  0.000000 28.38046 
1 1 1   15    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4    2 o  127.964   26.494   22.930   8.4927   0.0000   0.0000   22.930   8.4927  ?   ?   127.964   26.494 0.000000 26.49408 
1 1 1   15    4    3 o  131.291   20.890   23.497   6.8662   28.010   10.903   20.530   8.8393  140.186   30.861  120.323   28.753 19.86272 42.17947 
1 1 1   15    4    4 o  145.586   19.407   28.614   7.1365   11.350   10.667   42.600   9.6015   95.125   34.095  177.463   21.314 -82.33788 40.20883 
1 1 1   15    4    5 o  165.348   18.010   36.609   7.5888   43.770   11.474   31.040   10.118  178.241   25.586  148.992   27.220 29.24890 37.35685 
1 1 1   15    4    6 o  116.539   22.527   18.785   6.5544   29.630   9.9974   10.610   8.6801  145.287   27.574   90.109   30.872 55.17789 41.39343 
1 1 1   15    4    7 o  200.387   13.511   52.930   6.9723   0.0000   0.0000   52.930   6.9723  ?   ?   200.387   13.511 0.000000 13.51129 
1 1 1   15    4    8 o  424.746   12.323  236.324   13.557   0.0000   0.0000  236.324   13.557  ?   ?   424.746   12.323 0.000000 12.32253 
1 1 1   15    4    9 o  163.250   15.111   35.410   6.3175   0.0000   0.0000   35.410   6.3175  ?   ?   163.250   15.111 0.000000 15.11103 
1 1 1   15    4   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   12 o  150.634   16.040   30.362   6.1625   0.0000   0.0000   30.362   6.1625  ?   ?   150.634   16.040 0.000000 16.04030 
1 1 1   15    4   13 o  152.273   10.552   30.479   4.1365   33.132   5.4645   26.918   6.3302  158.083   13.473  141.142   17.704 16.94066 22.24796 
1 1 1   15    4   14 o  221.260   9.2573   63.933   5.3056   66.539   7.2988   61.013   7.7260  224.601   12.596  214.591   13.976 10.00937 18.81448 
1 1 1   15    4   15 o  110.746   20.645   17.049   5.7044   17.049   5.7044   0.0000   0.0000  110.746   20.645  ?   ?  0.000000 20.64468 
1 1 1   15    4   16 o   74.831   17.510   7.7820   3.3338   6.1260   7.0947   8.2513   3.7767   73.284   27.544   76.829   19.067 -3.544365 33.49986 
1 1 1   15    4   17 o  334.316   11.953  147.197   10.351   0.0000   0.0000  147.197   10.351  ?   ?   334.316   11.953 0.000000 11.95256 
1 1 1   15    4   18 o   56.091   19.309   3.9640   3.3972   7.9550   7.2300   2.8332   3.8486   78.345   28.070   52.964   20.198 25.38111 34.58197 
1 1 1   15    4   19 o   93.257   16.810   12.010   3.9112   8.2970   7.6758   13.312   4.5456   79.785   28.880   97.682   18.645 -17.89668 34.37601 
1 1 1   15    4   20 o  194.664   10.883   50.061   5.4658   55.080   10.394   48.142   6.4261  199.495   20.401  190.037   13.135 9.458252 24.26343 
1 1 1   15    4   21 o   65.834   21.088   5.9518   4.0692   6.4630   7.5164   5.7399   4.8398   73.951   28.221   66.224   23.033 7.727310 36.42709 
1 1 1   15    4   22 o  111.556   16.765   17.161   4.6948   15.180   9.0844   17.883   5.4838   99.590   31.467  112.796   19.473 -13.20638 37.00465 
1 1 1   15    4   23 o  290.033   13.575  112.337   10.198  102.700   15.110  120.400   13.822  270.326   21.763  296.355   18.092 -26.02914 28.30095 
1 1 1   15    4   24 o  138.479   15.018   26.099   5.3005   30.850   11.784   24.894   5.9347  139.049   33.180  134.074   17.506 4.974640 37.51559 
1 1 1   15    4   25 o  169.687   13.166   38.732   5.7416   45.370   12.295   36.881   6.4931  173.034   28.419  164.433   15.425 8.601349 32.33515 
1 1 1   15    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   27 o   85.214   22.288   10.811   4.9756 -10.3800   11.656   15.534   5.5021   57.771   27.618  102.935   21.336 -45.16475 34.89972 
1 1 1   15    4   28 o  184.228   12.747   45.871   6.0454   41.696   9.0341   49.257   8.1354  169.754   20.993  188.054   16.881 -18.30025 26.93819 
1 1 1   15    4   29 o   50.900   21.930   0.7946   5.2461  -7.2221   7.5886   8.1330   7.2605   47.107   22.454   74.982   27.926 -27.87542 35.83399 
1 1 1   15    4   30 o  120.362   18.791   20.950   5.6672   24.021   8.1828   18.119   7.8564  123.148   26.442  105.071   28.254 18.07753 38.69670 
1 1 1   15    4   31 o   88.788   23.369   12.290   5.4477   19.286   8.0972   6.5041   7.3633  107.544   28.579   69.758   27.560 37.78577 39.70308 
1 1 1   15    4   32 o  155.519   16.941   34.456   6.7140   40.051   9.4679   28.795   9.5224  161.707   23.274  131.415   28.771 30.29185 37.00630 
1 1 1   15    4   33 o  133.118   28.486   29.768   9.5258   18.800   13.966   39.310   13.026   95.416   37.874  144.712   35.109 -49.29665 51.64362 
1 1 1   15    4   34 o   81.621   25.996   11.143   6.1905   18.476   9.3105   5.3326   8.2878   99.135   31.913   66.730   28.111 32.40540 42.52812 
1 1 1   15    4   35 o   84.832   30.601   13.438   8.6069   32.090   12.430  -3.7410   11.929  123.778   36.367   60.168   28.529 63.61048 46.22157 
1 1 1   15    5    0 o  200.878   16.327   53.550   8.4221   54.450   12.541   52.810   11.367  199.534   24.799  197.327   22.649 2.207840 33.58476 
1 1 1   15    5    1 o  258.135   14.561   87.829   9.6966   93.670   14.923   83.560   12.757  263.716   22.048  249.897   19.871 13.81927 29.68144 
1 1 1   15    5    2 o  323.645   13.845  137.469   11.607  144.500   17.548  132.000   15.475  328.561   20.725  314.761   19.071 13.79965 28.16401 
1 1 1   15    5    3 o   89.674   33.941   8.9320   10.816   8.9320   10.816   0.0000   0.0000   89.674   33.941  ?   ?  0.000000 33.94138 
1 1 1   15    5    4 o  162.262   29.149   37.060   11.801   37.060   11.801   0.0000   0.0000  162.262   29.149  ?   ?  0.000000 29.14850 
1 1 1   15    5    5 o  368.061   19.787  180.900   18.795  180.900   18.795   0.0000   0.0000  368.061   19.787  ?   ?  0.000000 19.78704 
1 1 1   15    5    6 o  154.698   31.447   34.240   12.172   34.240   12.172   0.0000   0.0000  154.698   31.447  ?   ?  0.000000 31.44652 
1 1 1   15    5    7 o   48.694   23.598 -14.3500   9.2154 -14.3500   9.2154   0.0000   0.0000   48.694   23.598  ?   ?  0.000000 23.59754 
1 1 1   15    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5    9 o  420.775   12.627  232.239   13.763   0.0000   0.0000  232.239   13.763  ?   ?   420.775   12.627 0.000000 12.62745 
1 1 1   15    5   10 o   80.634   22.959   9.0274   5.0261   0.0000   0.0000   9.0274   5.0261  ?   ?    80.634   22.959 0.000000 22.95946 
1 1 1   15    5   11 o  138.334   18.047   25.871   6.3127   0.0000   0.0000   25.871   6.3127  ?   ?   138.334   18.047 0.000000 18.04700 
1 1 1   15    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5   13 o  234.503   9.0860   71.782   5.5191   69.071   7.2606   75.492   8.4943  228.980   12.286  238.902   13.785 -9.922470 18.46537 
1 1 1   15    5   14 o  240.319   9.2646   75.445   5.7672   69.924   7.7636   82.243   8.6148  230.030   13.084  249.416   13.383 -19.38666 18.71603 
1 1 1   15    5   15 o  108.468   13.026   15.723   3.5867   6.4140   7.3928   18.589   4.1018   74.858   28.120  117.885   13.688 -43.02751 31.27465 
1 1 1   15    5   16 o  147.636   10.984   28.770   4.1706   37.820   8.4650   25.869   4.7927  166.064   20.087  139.288   13.451 26.77606 24.17484 
1 1 1   15    5   17 o  170.867   12.497   38.727   5.4928   0.0000   0.0000   38.727   5.4928  ?   ?   170.867   12.497 0.000000 12.49707 
1 1 1   15    5   18 o   47.894   18.939   1.8848   3.4799  -1.5910   7.3652   2.8837   3.9483   56.321   25.065   53.479   20.443 2.841515 32.34487 
1 1 1   15    5   19 o  178.078   11.972   42.067   5.4904   27.950   9.6255   48.876   6.6845  137.719   27.938  191.379   13.572 -53.66011 31.05982 
1 1 1   15    5   20 o   72.393   19.993   7.4193   3.8729  -3.3450   7.4672   11.381   4.5299   53.519   24.392   89.530   20.033 -36.01173 31.56390 
1 1 1   15    5   21 o   90.704   18.679   11.593   4.2424   7.7350   8.4272   12.903   4.9100   78.823   29.929   95.129   20.528 -16.30541 36.29266 
1 1 1   15    5   22 o   49.944   21.754  -0.1887   5.2768 -12.8500   8.5771   7.5220   6.6934   46.356   22.534   75.122   26.999 -28.76669 35.16689 
1 1 1   15    5   23 o  291.792   10.973  112.572   8.2939  111.500   14.896  113.054   9.9847  282.741   20.478  291.061   13.243 -8.320129 24.38752 
1 1 1   15    5   24 o   74.707   21.662   8.0656   4.4361   9.6410   9.6215   7.6403   4.9992   84.162   31.974   73.125   23.368 11.03679 39.60325 
1 1 1   15    5   25 o   53.698   21.538   2.4938   4.5636  -2.8250   9.4891   4.0942   5.2050   60.383   27.511   60.722   23.407 -0.3390160 36.12127 
1 1 1   15    5   26 o   66.200   26.934   4.2363   7.2498   0.0000   0.0000   4.2363   7.2498  ?   ?    66.200   26.934 0.000000 26.93398 
1 1 1   15    5   27 f  113.089   18.834   18.262   5.3232   19.500   11.749   17.943   5.9712  105.932   35.920  110.508   21.635 -4.575890 41.93192 
1 1 1   15    5   28 o  104.264   20.751   15.982   5.4073  -2.1580   10.452   22.610   6.3185   62.681   28.679  124.817   20.236 -62.13543 35.09941 
1 1 1   15    5   29 o   37.015   17.738  -5.7875   4.8716   6.9380   10.952  -8.9262   5.4393   76.895   32.350   36.000   17.597 40.89535 36.82629 
1 1 1   15    5   30 o   69.255   24.312   7.0546   5.3984   16.206   7.4787  -2.9011   7.8004   99.285   27.915   53.045   24.455 46.23941 37.11167 
1 1 1   15    5   31 o   47.657   21.499  -1.1940   5.6231  -6.0375   8.3049   2.9062   7.6411   50.382   23.864   62.074   26.600 -11.69218 35.73559 
1 1 1   15    5   32 o  161.140   22.785   39.648   9.2453   59.380   14.702   26.740   11.891  185.559   31.727  117.456   35.824 68.10213 47.85338 
1 1 1   15    5   33 o  190.965   14.189   50.745   6.9686   57.925   10.164   44.378   9.5725  197.418   20.159  170.388   22.217 27.02965 30.00027 
1 1 1   15    5   34 o  120.844   21.310   22.472   6.4267   19.960   9.4346   24.646   8.7784  102.627   32.014  118.932   28.801 -16.30484 43.06319 
1 1 1   15    5   35 o   87.520   31.630   14.894   9.2019   25.660   13.530   5.6270   12.552  104.250   38.249   71.131   32.101 33.11983 49.93494 
1 1 1   15    6    0 o  141.745   21.453   27.420   7.6302   26.530   11.853   28.050   9.9711  135.129   33.916  140.983   28.288 -5.853989 44.16398 
1 1 1   15    6    1 o  243.106   15.687   78.208   9.8260   99.570   15.261   63.080   12.842  271.840   21.857  215.367   23.397 56.47243 32.01786 
1 1 1   15    6    2 o  268.050   15.451   94.966   10.683   93.720   15.907   95.990   14.418  262.806   23.620  267.255   20.996 -4.449432 31.60259 
1 1 1   15    6    3 o   59.507   25.762  -0.3617   7.3099  -3.1360   10.948   1.8700   9.8193   68.056   30.404   72.525   30.577 -4.469360 43.12033 
1 1 1   15    6    4 o  393.927   13.703  203.781   13.983  213.400   20.492  195.400   19.127  400.155   19.770  382.686   19.359 17.46936 27.66993 
1 1 1   15    6    5 o  599.298   13.868  471.908   21.529  516.800   32.270  435.900   28.901  622.356   20.017  571.996   19.506 50.36060 27.94938 
1 1 1   15    6    6 o  426.473   13.598  238.909   15.022  252.900   22.255  227.200   20.360  435.423   19.732  413.129   19.025 22.29434 27.41007 
1 1 1   15    6    7 o  544.528   13.907  389.871   19.615  415.100   29.002  368.600   26.630  557.348   20.088  525.625   19.559 31.72321 28.03745 
1 1 1   15    6    8 o  255.757   15.575   86.679   10.269   79.590   14.595   93.630   14.452  241.505   23.634  263.281   21.375 -21.77574 31.86623 
1 1 1   15    6    9 o  371.533   12.774  181.214   12.294   0.0000   0.0000  181.214   12.294  ?   ?   371.533   12.774 0.000000 12.77424 
1 1 1   15    6   10 o  177.009   16.118   41.809   7.3092   0.0000   0.0000   41.809   7.3092  ?   ?   177.009   16.118 0.000000 16.11804 
1 1 1   15    6   11 f  186.690   15.398   46.396   7.3798   0.0000   0.0000   46.396   7.3798  ?   ?   186.690   15.398 0.000000 15.39812 
1 1 1   15    6   12 o  117.235   21.472   19.083   6.2802   0.0000   0.0000   19.083   6.2802  ?   ?   117.235   21.472 0.000000 21.47185 
1 1 1   15    6   13 o  230.937   9.2099   69.655   5.5093   71.403   7.2954   67.336   8.4046  232.798   12.140  225.242   14.482 7.555527 18.89727 
1 1 1   15    6   14 o  186.145   9.7037   45.440   4.6627   50.970   9.6188   43.742   5.3308  193.720   19.431  182.207   11.351 11.51279 22.50339 
1 1 1   15    6   15 o   81.685   16.010   9.1737   3.2664   14.420   7.2898   7.8557   3.6538   99.710   27.386   74.984   18.836 24.72608 33.23823 
1 1 1   15    6   16 o  119.512   13.108   19.089   3.9912   6.9720   7.9149   23.220   4.6219   77.106   29.070  131.756   13.745 -54.64917 32.15593 
1 1 1   15    6   17 o  305.863   10.552  122.884   8.3599   0.0000   0.0000  122.884   8.3599  ?   ?   305.863   10.552 0.000000 10.55173 
1 1 1   15    6   18 o   57.153   19.553   4.1753   3.4817   16.080   7.8163   1.2285   3.8888  104.052   28.266   47.555   19.580 56.49615 34.38560 
1 1 1   15    6   19 o  139.949   12.691   26.153   4.5506   4.3520   8.7891   34.137   5.3190   72.166   29.542  159.939   12.950 -87.77287 32.25558 
1 1 1   15    6   20 o  151.877   12.404   30.765   4.8372   29.030   9.1712   31.434   5.6936  140.919   26.086  152.704   14.571 -11.78503 29.87947 
1 1 1   15    6   21 f  131.081   18.150   23.799   5.9972   15.570   9.0829   30.160   7.9853  100.691   31.412  145.883   21.800 -45.19228 38.23587 
1 1 1   15    6   22 o   70.627   21.166   7.0860   4.1776  -2.2630   8.6412   9.9376   4.7724   59.070   26.649   82.788   21.912 -23.71805 34.50057 
1 1 1   15    6   23 o  102.518   18.397   14.793   4.7059   23.830   10.134   12.308   5.3134  122.851   31.651   91.731   22.526 31.11915 38.84875 
1 1 1   15    6   24 o  174.501   12.528   40.801   5.6250   33.420   11.953   42.901   6.3749  144.651   32.673  178.271   13.916 -33.62035 35.51308 
1 1 1   15    6   25 o  138.740   15.258   26.372   5.3927   23.270   11.242   27.299   6.1460  117.972   34.563  140.128   17.299 -22.15616 38.65072 
1 1 1   15    6   26 o   57.967   24.993   1.1532   6.8246   0.0000   0.0000   1.1532   6.8246  ?   ?    57.967   24.993 0.000000 24.99347 
1 1 1   15    6   27 o  148.967   15.139   30.558   5.7606   21.570   11.732   33.413   6.6126  110.534   35.849  154.827   16.756 -44.29233 39.57149 
1 1 1   15    6   28 o  140.330   17.132   27.729   6.0981   26.340   11.940   28.219   7.0930  121.098   35.660  139.485   20.221 -18.38680 40.99463 
1 1 1   15    6   29 o  132.852   18.572   25.366   6.2164   9.3940   12.011   31.210   7.2651   82.047   34.151  146.765   19.600 -64.71748 39.37561 
1 1 1   15    6   30 o   43.320   19.952  -2.5686   5.1748   0.7523   9.9702  -3.7932   6.0542   64.174   28.817   45.142   21.061 19.03218 35.69281 
1 1 1   15    6   31 o   60.633   23.965   4.4223   5.5694   13.010   12.151   2.1380   6.2665   86.729   35.018   56.654   24.178 30.07447 42.55386 
1 1 1   15    6   32 o  150.145   19.969   33.403   7.5737   28.830   12.601   35.990   9.4765  120.050   36.924  150.705   25.163 -30.65433 44.68283 
1 1 1   15    6   33 o  141.516   18.791   29.510   6.7178   27.930   9.4889   31.098   9.5121  126.947   29.430  136.034   27.930 -9.087288 40.57344 
1 1 1   15    6   34 o  108.307   23.575   18.879   6.4262   19.442   9.3413   18.373   8.8544  100.784   31.915   98.910   31.040 1.874001 44.52084 
1 1 1   15    6   35 o   69.009   29.261   6.8614   9.0749   14.440   13.682   0.9090   12.126   83.101   35.602   64.554   30.013 18.54700 46.56477 
1 1 1   15    7    0 o  251.777   8.9208   82.596   5.8180   90.520   15.523   81.301   6.2754  258.113   23.474  249.658   9.7039 8.454987 25.40090 
1 1 1   15    7    1 o  152.292   22.549   31.781   8.6262   40.680   12.774   24.320   11.696  169.402   30.219  129.038   34.375 40.36382 45.76885 
1 1 1   15    7    2 o  350.944   14.408  162.035   13.098  163.500   19.364  160.800   17.783  348.593   21.550  346.653   19.888 1.939850 29.32480 
1 1 1   15    7    3 o  261.431   16.070   90.593   10.830   97.580   15.995   84.680   14.715  268.085   23.265  249.744   23.006 18.34155 32.71856 
1 1 1   15    7    4 o  143.031   23.065   28.194   8.2548   20.720   12.478   34.010   11.008  119.334   36.751  155.220   28.425 -35.88641 46.46103 
1 1 1   15    7    5 o  323.040   14.429  137.380   12.074  146.400   17.867  129.800   16.379  329.900   21.018  310.870   20.454 19.02933 29.32837 
1 1 1   15    7    6 o   56.598   25.107  -1.8834   7.3318 -13.6700   10.756   8.3450   10.020   55.016   26.362   86.257   32.663 -31.24081 41.97452 
1 1 1   15    7    7 f   97.597   30.070   13.405   8.3526  -1.4140   12.506   25.340   11.223   74.930   33.037  131.657   32.979 -56.72665 46.68004 
1 1 1   15    7    8 o  130.755   25.801   24.087   8.4282   31.570   12.726   18.240   11.249  146.486   34.166  112.230   34.949 34.25611 48.87457 
1 1 1   15    7    9 o  460.151   14.318  279.165   17.066  273.400   24.500  284.600   23.786  450.831   20.980  460.810   19.928 -9.979706 28.93529 
1 1 1   15    7   10 o   64.201   24.079   4.4278   5.4163   0.0000   0.0000   4.4278   5.4163  ?   ?    64.201   24.079 0.000000 24.07898 
1 1 1   15    7   11 o  270.713   13.711   96.843   9.5832   0.0000   0.0000   96.843   9.5832  ?   ?   270.713   13.711 0.000000 13.71097 
1 1 1   15    7   12 o  209.599   7.8037   57.243   4.2368   50.361   6.2423   63.121   5.7691  195.327   12.402  219.644   10.140 -24.31744 16.01968 
1 1 1   15    7   13 o  109.943   12.230   16.086   3.4239   12.370   7.4381   17.085   3.8569   93.095   28.320  113.043   13.435 -19.94791 31.34504 
1 1 1   15    7   14 o   80.544   15.619   8.9019   3.1411   21.560   7.2301   5.9570   3.4874  123.592   23.442   65.778   19.245 57.81461 30.32960 
1 1 1   15    7   15 o  202.039   9.7660   53.462   5.1110   48.480   10.504   55.007   5.8502  187.098   22.100  204.322   11.095 -17.22383 24.72871 
1 1 1   15    7   16 o   82.970   17.399   9.5708   3.6200   12.200   7.9415   8.8813   4.0671   91.986   29.459   79.368   19.838 12.61785 35.51553 
1 1 1   15    7   17 o  157.006   18.765   33.828   7.4805   0.0000   0.0000   33.828   7.4805  ?   ?   157.006   18.765 0.000000 18.76543 
1 1 1   15    7   18 o   36.173   16.424  -1.7537   3.3452  -7.4310   7.6610  -0.4163   3.7184   48.729   23.033   41.819   18.237 6.909836 29.37864 
1 1 1   15    7   19 o   45.224   18.649   1.0854   3.5347 -10.0200   6.8948   5.0447   4.1168   42.397   20.513   62.109   21.261 -19.71188 29.54371 
1 1 1   15    7   20 o  147.929   15.978   29.789   6.0254   23.780   9.1161   34.450   8.0293  125.521   28.667  157.039   20.208 -31.51777 35.07322 
1 1 1   15    7   21 o  145.228   13.571   28.378   5.0462   34.440   9.9271   26.266   5.8598  153.236   25.935  138.367   16.686 14.86890 30.83922 
1 1 1   15    7   22 o  201.582   11.358   53.980   5.9067   46.070   11.514   56.805   6.8813  177.308   25.827  206.038   12.960 -28.73048 28.89648 
1 1 1   15    7   23 o  209.396   11.360   58.306   6.1387   44.750   12.344   62.760   7.0757  171.854   28.745  216.592   12.667 -44.73784 31.41265 
1 1 1   15    7   24 o  192.492   11.764   49.468   5.8373   37.900   12.131   52.953   6.6590  155.122   31.271  198.524   13.021 -43.40176 33.87339 
1 1 1   15    7   25 o  240.019   10.973   76.512   6.8222   68.110   13.774   79.242   7.8531  214.408   25.288  243.072   12.515 -28.66403 28.21524 
1 1 1   15    7   26 o  124.336   24.353   23.239   7.5626   0.0000   0.0000   23.239   7.5626  ?   ?   124.336   24.353 0.000000 24.35252 
1 1 1   15    7   27 o  185.367   13.164   46.610   6.2795   42.840   13.113   47.732   7.1531  160.611   32.632  186.398   14.941 -25.78778 35.88958 
1 1 1   15    7   28 o  134.140   17.682   25.562   5.9942   16.350   11.785   28.777   6.9619   96.183   35.627  141.093   19.577 -44.91005 40.65149 
1 1 1   15    7   29 o  143.938   17.237   29.414   6.2987   31.560   12.728   28.718   7.2485  130.263   36.343  139.659   20.661 -9.395813 41.80557 
1 1 1   15    7   30 o  167.138   15.453   39.071   6.6146   12.970   12.437   49.366   7.8109   87.163   35.346  187.275   16.263 -100.1117 38.90776 
1 1 1   15    7   31 o   92.446   30.076   14.913   8.2551   14.870   12.074   14.950   11.312   89.743   35.344   90.113   34.566 -0.3694000 49.43673 
1 1 1   15    7   32 o   47.765   21.741  -1.4939   5.9087   1.3660   11.109  -2.6222   6.9776   65.919   29.930   49.798   23.018 16.12076 37.75744 
1 1 1   15    7   33 o  151.515   18.014   33.592   6.9315   15.730   13.855   39.555   8.0054   88.177   36.688  163.175   19.315 -74.99834 41.46174 
1 1 1   15    7   34 o  103.402   23.463   17.337   6.1404   21.263   8.5359   13.125   8.8397  108.060   29.615   83.692   30.884 24.36861 42.78911 
1 1 1   15    8    0 o  185.799   20.344   46.677   9.6308   51.370   14.586   43.050   12.824  190.289   30.631  174.469   29.423 15.81969 42.47282 
1 1 1   15    8    1 o  252.555   16.699   84.795   10.863   77.190   15.676   91.820   15.067  236.624   26.005  260.147   22.583 -23.52248 34.44224 
1 1 1   15    8    2 o  134.086   25.336   25.174   8.4773   18.330   12.590   30.850   11.466  113.262   37.157  146.359   31.198 -33.09612 48.51754 
1 1 1   15    8    3 o  232.695   16.833   72.086   10.078   84.580   15.335   62.590   13.370  248.755   24.102  213.440   24.635 35.31497 34.46376 
1 1 1   15    8    4 o   71.277   28.096   4.5254   7.6360   7.0390   11.603   2.6050   10.142   86.732   34.492   74.525   31.229 12.20751 46.52926 
1 1 1   15    8    5 o  135.961   24.611   25.809   8.3485   38.890   12.525   15.350   11.199  164.941   30.436  104.812   35.071 60.12856 46.43676 
1 1 1   15    8    6 o  241.610   16.852   77.780   10.481   76.890   14.867   78.660   14.778  236.544   24.625  239.535   24.146 -2.991013 34.48844 
1 1 1   15    8    7 o  256.038   16.617   87.287   10.961   96.780   15.885   78.660   15.143  266.270   23.265  239.025   24.820 27.24431 34.01907 
1 1 1   15    8    8 o  378.298   14.669  188.932   14.374  191.700   21.017  186.500   19.703  376.334   21.652  371.990   20.527 4.343567 29.83559 
1 1 1   15    8    9 o  278.056   16.183  102.889   11.605  108.400   16.827   97.890   16.027  281.486   23.287  267.357   23.378 14.12955 32.99706 
1 1 1   15    8   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   11 o   88.857   24.962   11.195   5.9828   0.0000   0.0000   11.195   5.9828  ?   ?    88.857   24.962 0.000000 24.96207 
1 1 1   15    8   12 o  195.759   9.4020   50.095   4.7675   47.830   9.2640   50.910   5.5603  187.634   19.338  196.729   10.955 -9.094666 22.22511 
1 1 1   15    8   13 o   97.814   13.870   12.889   3.4157   12.380   7.8535   13.008   3.7932   93.050   29.239   97.824   15.485 -4.774223 33.08620 
1 1 1   15    8   14 f  201.823   9.9978   53.375   5.2267   47.140   10.664   55.346   5.9963  184.067   22.858  204.876   11.343 -20.80887 25.51797 
1 1 1   15    8   15 o  215.239   9.8405   60.729   5.4864   53.270   11.126   63.125   6.3065  195.759   22.343  218.798   11.164 -23.03915 24.97665 
1 1 1   15    8   16 o   81.020   17.662   9.1679   3.6021   1.9120   8.0480   10.985   4.0280   65.320   27.619   88.718   18.140 -23.39787 33.04324 
1 1 1   15    8   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   18 o   39.018   17.306  -0.9355   3.4817  -0.2135   7.5984  -1.1274   3.9171   59.310   25.961   41.081   18.281 18.22961 31.75221 
1 1 1   15    8   19 o   50.084   21.100   0.9314   4.6702 -15.6300   7.8873   9.8730   5.7955   41.357   20.408   82.478   24.978 -41.12082 32.25443 
1 1 1   15    8   20 o  144.588   13.237   28.075   4.9027   10.450   9.6446   34.216   5.6931   86.875   32.220  159.441   13.925 -72.56596 35.09993 
1 1 1   15    8   21 o   44.375   18.854   0.4654   3.7803   6.3720   7.5506  -1.5104   4.3670   73.145   28.193   42.479   19.073 30.66584 34.03897 
1 1 1   15    8   22 o  146.966   13.090   29.056   4.9311   20.950   9.9422   31.701   5.6788  114.558   32.177  152.922   14.510 -38.36375 35.29781 
1 1 1   15    8   23 o  114.264   17.527   18.248   5.0220   3.9090   10.299   22.721   5.7523   73.208   31.113  127.541   17.905 -54.33295 35.89703 
1 1 1   15    8   24 o   65.858   22.303   6.0064   4.5296   10.890   9.8515   4.6972   5.1007   86.350   32.457   62.219   23.361 24.13184 39.98952 
1 1 1   15    8   25 o   64.196   22.531   5.5959   4.6363   8.6410   11.054   4.9460   5.1071   82.164   33.322   62.810   23.416 19.35399 40.72651 
1 1 1   15    8   26 o  216.090   18.162   65.597   10.072   0.0000   0.0000   65.597   10.072  ?   ?   216.090   18.162 0.000000 18.16217 
1 1 1   15    8   27 o  108.084   20.804   17.222   5.6131   13.070   11.487   18.524   6.4334   89.574   34.705  110.637   23.190 -21.06277 41.73965 
1 1 1   15    8   28 o  148.137   16.257   30.792   6.1355   29.020   12.548   31.349   7.0336  124.867   36.497  147.624   18.822 -22.75704 41.06479 
1 1 1   15    8   29 o  165.321   15.456   38.175   6.5420   36.250   13.290   38.791   7.5155  139.330   36.418  164.667   17.909 -25.33717 40.58305 
1 1 1   15    8   30 o   77.449   28.584   9.5479   7.5726   7.4940   11.521   11.110   10.048   76.493   32.718   82.153   32.278 -5.660225 45.96006 
1 1 1   15    8   31 o   69.662   24.868   7.4108   5.6692   15.910   10.769   4.1523   6.6680   91.902   34.054   61.886   25.576 30.01623 42.58848 
1 1 1   15    8   32 o   61.465   24.635   4.7190   5.9657   1.9160   12.644   5.5217   6.7662   68.700   31.473   64.943   26.163 3.757797 40.92774 
1 1 1   15    8   33 o   82.478   25.651   11.480   6.0619   16.190   12.183   9.9300   6.9883   88.802   35.335   76.506   27.577 12.29557 44.82249 
1 1 1   15    8   34 o   48.281   21.925  -0.7918   5.9644   12.900   13.244  -4.2751   6.6801   81.053   34.883   45.475   21.499 35.57804 40.97565 
1 1 1   15    9    0 o   75.924   30.320   4.9283   9.0003   12.170   13.582  -0.7409   12.018  100.322   38.019   74.387   32.603 25.93488 50.08389 
1 1 1   15    9    1 o  348.230   9.0700  158.156   8.1813  173.000   20.140  155.222   8.9533  357.697   21.842  344.719   10.027 12.97833 24.03316 
1 1 1   15    9    2 o  416.006   14.322  228.077   15.433  218.900   22.240  236.600   21.434  402.796   21.393  420.498   19.679 -17.70239 29.06720 
1 1 1   15    9    3 o  200.563   19.143   54.183   9.8245   47.510   14.784   59.460   13.147  181.261   32.690  207.515   24.960 -26.25395 41.12968 
1 1 1   15    9    4 o  126.553   28.354   22.957   9.0641   34.000   13.759   14.490   12.048  151.190   35.704  103.222   36.315 47.96822 50.92690 
1 1 1   15    9    5 o  148.029   24.905   30.617   9.2105   45.980   13.871   18.500   12.318  178.951   31.049  112.933   36.739 66.01828 48.10231 
1 1 1   15    9    6 o  169.208   22.623   39.381   9.6673   50.150   14.043   29.680   13.329  187.546   29.911  140.599   36.335 46.94727 47.06301 
1 1 1   15    9    7 o  164.373   22.771   37.262   9.4348   28.720   13.416   45.620   13.270  137.911   36.853  178.665   29.718 -40.75394 47.34249 
1 1 1   15    9    8 o   98.526   31.248   13.807   8.9519   7.4200   13.419   18.930   12.017   90.431   36.699  113.432   36.228 -23.00172 51.56857 
1 1 1   15    9    9 o  140.435   27.890   28.284   9.7879   36.320   14.990   22.310   12.924  154.172   37.821  121.623   37.392 32.54894 53.18430 
1 1 1   15    9   10 o  246.189   11.180   79.509   7.1296   85.800   15.883   77.921   7.9786  248.490   25.016  242.950   12.722 5.540482 28.06543 
1 1 1   15    9   11 o  161.020   10.016   34.069   4.1567   35.380   8.0505   33.592   4.8537  160.900   19.729  159.433   11.837 1.467285 23.00814 
1 1 1   15    9   12 o  302.190   8.7608  119.296   6.8577  107.800   13.401  123.375   7.9820  282.619   18.406  306.899   10.041 -24.28049 20.96641 
1 1 1   15    9   13 o  243.840   9.3547   77.808   5.9086   70.160   11.900   80.311   6.8069  226.361   20.519  247.361   10.624 -21.00015 23.10568 
1 1 1   15    9   14 o  253.143   9.4920   83.937   6.2241   70.890   12.871   87.920   7.1108  226.115   22.264  258.716   10.611 -32.60185 24.66311 
1 1 1   15    9   15 o  139.859   12.261   26.027   4.3972   11.280   9.0459   30.590   5.0317   89.797   31.474  151.481   12.948 -61.68473 34.03353 
1 1 1   15    9   16 o  184.535   11.058   45.019   5.2614   34.210   10.809   48.375   6.0231  152.293   28.448  190.880   12.246 -38.58754 30.97163 
1 1 1   15    9   17 f   95.269   31.278   13.520   8.9205   13.520   8.9205   0.0000   0.0000   95.269   31.278  ?   ?  0.000000 31.27774 
1 1 1   15    9   18 o   83.345   18.608   9.8223   3.9155   11.140   8.5552   9.4732   4.4038   87.983   30.622   81.272   20.824 6.711266 37.03167 
1 1 1   15    9   19 o  107.139   16.301   15.824   4.3812   6.2890   8.4713   19.305   5.1190   75.050   29.590  118.158   17.232 -43.10767 34.24211 
1 1 1   15    9   20 o  246.976   10.265   80.452   6.5668   66.020   12.878   85.524   7.6339  214.729   23.539  254.005   11.603 -39.27687 26.24330 
1 1 1   15    9   21 o   52.161   20.578   2.5063   4.0996   3.4500   8.9911   2.2586   4.6063   69.660   29.309   53.308   21.548 16.35235 36.37740 
1 1 1   15    9   22 o   71.160   21.974   7.2661   4.4574   1.7790   9.7768   8.7060   5.0082   68.346   29.690   77.183   23.184 -8.837784 37.67017 
1 1 1   15    9   23 o  104.330   18.123   15.384   4.7199   10.100   10.242   16.809   5.3183   85.026   32.818  108.406   19.664 -23.38063 38.25826 
1 1 1   15    9   24 o  192.394   11.865   49.579   5.8844   48.420   12.371   49.918   6.6896  177.928   27.747  192.110   13.530 -14.18132 30.87002 
1 1 1   15    9   25 o   52.061   21.429   1.9841   4.6564   13.360   10.546  -0.7710   5.1897   91.240   33.720   47.483   21.091 43.75710 39.77291 
1 1 1   15    9   26 o   63.296   26.410   3.4412   7.2083   0.0000   0.0000   3.4412   7.2083  ?   ?    63.296   26.410 0.000000 26.41021 
1 1 1   15    9   27 o  117.621   18.908   20.005   5.5656   26.460   12.080   18.265   6.2708  119.907   36.005  109.777   22.798 10.12992 42.61605 
1 1 1   15    9   28 o   58.237   23.023   3.8365   5.1410   3.7620   11.284   3.8560   5.7753   71.298   31.411   59.896   24.157 11.40240 39.62585 
1 1 1   15    9   29 o  120.944   26.644   23.673   8.1218   16.600   12.690   28.580   10.570   93.632   36.421  127.380   32.059 -33.74829 48.52075 
1 1 1   15    9   30 o   73.026   25.656   8.3520   6.0124   5.8050   12.139   9.1799   6.9209   74.069   32.608   75.820   27.427 -1.750786 42.60870 
1 1 1   15    9   31 o   51.324   22.736   0.2880   5.9923  -2.2620   11.471   1.2451   7.0275   62.107   28.981   56.344   24.807 5.763618 38.14811 
1 1 1   15    9   32 o   54.592   23.354   2.1638   5.8722  -5.0590   10.901   5.1168   6.9700   57.312   27.202   63.914   26.252 -6.602249 37.80417 
1 1 1   15    9   33 o   97.235   25.477   15.997   6.4940   17.730   13.524   15.478   7.4034   89.545   36.650   92.822   28.258 -3.277130 46.27847 
1 1 1   15    9   34 f   82.132   26.100   11.891   6.2430   31.380   13.240   6.3202   7.0793  115.387   38.117   65.375   26.609 50.01256 46.48550 
1 1 1   15   10    0 o  175.461   15.756   41.079   7.0849   40.700   15.592   41.178   7.9534  164.419   37.448  174.976   17.795 -10.55779 41.46126 
1 1 1   15   10    1 o  213.290   10.196   59.480   5.6332   59.350   15.856   59.498   6.0263  203.588   31.049  212.895   10.965 -9.306793 32.92839 
1 1 1   15   10    2 o   88.848   14.673   10.684   3.2589   13.720   12.793   10.473   3.3701  102.023   37.230   87.773   15.384 14.25037 40.28267 
1 1 1   15   10    3 o  162.310   10.395   34.598   4.3474   15.220   14.113   36.630   4.5696  106.584   39.072  166.975   10.620 -60.39158 40.48919 
1 1 1   15   10    4 o  215.210   9.2497   60.468   5.1563   73.660   16.227   58.986   5.4382  228.923   27.946  212.438   9.8826 16.48544 29.64161 
1 1 1   15   10    5 o  125.020   29.886   22.743   9.5471   19.950   13.895   25.240   13.140  116.415   39.065  129.155   37.232 -12.74049 53.96566 
1 1 1   15   10    6 o  176.177   22.716   42.799   10.125   47.980   15.073   38.540   13.668  180.814   33.414  161.420   33.773 19.39369 47.50890 
1 1 1   15   10    7 o  346.486   15.221  159.094   13.661  163.400   19.568  155.000   19.081  346.361   21.923  337.282   21.960 9.079224 31.03007 
1 1 1   15   10    8 o  253.074   8.9288   83.632   5.8532   81.230   16.933   83.958   6.2377  239.865   27.767  253.430   9.5020 -13.56490 29.34790 
1 1 1   15   10    9 o   91.940   17.246   11.630   3.9563  -2.3920   13.684   12.909   4.1328   75.815   33.922   97.036   17.065 -21.22158 37.97233 
1 1 1   15   10   10 o  326.208   9.1775  139.108   7.7548  130.153   11.223  147.291   10.728  313.701   13.811  334.396   12.385 -20.69489 18.55102 
1 1 1   15   10   11 o  321.836   9.3866  135.521   7.8252  138.328   11.573  133.157   10.621  323.246   13.822  317.586   12.911 5.660187 18.91385 
1 1 1   15   10   12 o  332.285   9.0274  144.421   7.7700  133.400   15.273  148.269   9.0253  313.702   18.884  336.158   10.365 -22.45541 21.54127 
1 1 1   15   10   13 o  130.286   12.638   22.632   4.2114   12.750   9.1862   25.261   4.7388   94.163   31.762  137.450   13.483 -43.28687 34.50567 
1 1 1   15   10   14 o   68.172   19.279   6.5036   3.5566   17.070   8.9514   4.5230   3.8756  106.436   30.745   59.612   20.618 46.82433 37.01793 
1 1 1   15   10   15 o   83.973   21.605   10.098   4.7266   3.2340   8.2265   13.480   5.7750   68.318   28.335   96.538   23.349 -28.22033 36.71586 
1 1 1   15   10   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   10   17 o  184.097   11.427   44.970   5.4222   28.280   10.939   50.405   6.2430  135.095   31.791  194.516   12.456 -59.42056 34.14383 
1 1 1   15   10   18 o   52.163   19.928   2.8319   3.7507   1.4480   7.6287   3.2730   4.3073   62.223   26.619   55.701   21.338 6.522774 34.11533 
1 1 1   15   10   19 o  105.207   16.704   15.348   4.4001   5.7850   9.0388   18.318   5.0373   74.780   30.200  114.786   17.495 -40.00561 34.90112 
1 1 1   15   10   20 o  156.831   12.843   33.018   5.1717   21.710   10.122   37.013   6.0164  116.476   32.378  165.486   14.172 -49.00973 35.34423 
1 1 1   15   10   21 o  180.845   12.072   43.724   5.6227   22.020   10.878   51.635   6.5680  115.748   34.025  196.111   13.003 -80.36263 36.42522 
1 1 1   15   10   22 o  198.490   11.367   52.525   5.8202   53.250   12.329   52.317   6.6022  189.310   25.815  197.239   12.995 -7.929245 28.90174 
1 1 1   15   10   23 o   50.214   20.750   1.6397   4.3883   7.0510   9.6541   0.2305   4.9267   77.163   31.194   48.781   21.134 28.38217 37.67854 
1 1 1   15   10   24 o   68.894   22.327   6.8591   4.5513   6.6650   10.284   6.9064   5.0754   76.840   31.760   69.501   23.608 7.338928 39.57290 
1 1 1   15   10   25 o  108.313   21.731   17.406   5.8849   0.0000   0.0000   17.406   5.8849  ?   ?   108.313   21.731 0.000000 21.73104 
1 1 1   15   10   26 o   48.896   21.271   0.3455   5.0318   7.2950   11.050  -1.4727   5.6519   77.605   32.563   47.671   21.525 29.93394 39.03376 
1 1 1   15   10   27 o  143.252   16.751   29.017   6.0985   16.790   12.896   32.539   6.9213   95.400   36.824  150.774   18.083 -55.37418 41.02423 
1 1 1   15   10   28 o   34.282   16.828  -8.9528   5.1369  -5.2520   10.994  -9.9864   5.8101   58.912   27.768   36.367   17.861 22.54488 33.01638 
1 1 1   15   10   29 o   87.872   29.915   13.384   8.1496   15.970   11.955   11.140   11.139   91.754   35.445   82.168   33.403 9.586464 48.70395 
1 1 1   15   10   30 o   69.080   25.083   7.2788   5.7965   6.2790   12.038   7.5807   6.6138   73.991   32.525   70.571   26.580 3.419975 42.00447 
1 1 1   15   10   31 o   82.457   25.435   11.309   5.9742  -4.2880   12.566   15.865   6.7909   61.754   29.280   97.005   26.345 -35.25113 39.38773 
1 1 1   15   10   32 o   58.350   24.180   3.7597   5.9835   3.1570   13.169   3.9164   6.7168   69.483   31.938   60.258   25.341 9.224636 40.77020 
1 1 1   15   10   33 o  128.312   21.258   25.745   6.8182   6.0940   13.064   33.101   7.9931   71.487   32.458  144.887   21.988 -73.40038 39.20443 
1 1 1   15   11    0 o  271.796   10.015   96.624   7.0509   94.440   18.269   97.006   7.6430  259.315   27.624  272.103   10.844 -12.78854 29.67593 
1 1 1   15   11    1 o  362.198   9.3933  171.390   8.8128  154.100   21.026  175.074   9.7065  334.470   24.438  365.771   10.245 -31.30151 26.49881 
1 1 1   15   11    2 o  179.074   11.071   42.192   5.1102   20.170   15.280   44.966   5.4224  117.127   40.915  184.805   11.383 -67.67901 42.46850 
1 1 1   15   11    3 o  112.612   12.911   16.905   3.6980   19.040   14.599   16.759   3.8227  114.316   39.990  111.983   13.448 2.333000 42.19032 
1 1 1   15   11    4 o  198.219   9.8794   51.393   5.0725   76.060   16.982   48.976   5.3152  231.332   28.976  193.062   10.670 38.27010 30.87835 
1 1 1   15   11    5 o  221.089   9.3956   63.886   5.3807   98.920   17.465   60.212   5.6558  266.480   25.617  214.468   10.181 52.01236 27.56608 
1 1 1   15   11    6 o  207.885   9.9957   56.564   5.3825   30.440   16.531   59.662   5.6928  138.445   42.242  213.434   10.297 -74.98895 43.47904 
1 1 1   15   11    7 o  204.722   9.7027   54.836   5.1453   65.640   16.668   53.698   5.4094  212.644   31.188  202.188   10.364 10.45650 32.86505 
1 1 1   15   11    8 o  159.553   13.770   33.903   5.6352   26.950   13.465   35.380   6.2048  131.806   37.596  162.641   14.893 -30.83528 40.43829 
1 1 1   15   11    9 o   43.872   17.606   1.3392   3.0511   4.3506   5.8367   0.2069   3.5790   64.738   24.830   42.986   18.307 21.75241 30.84866 
1 1 1   15   11   10 o   43.602   17.852   1.0389   3.2105   1.2983   6.3737   0.9506   3.7165   58.483   24.645   45.963   19.053 12.52041 31.15098 
1 1 1   15   11   11 o  151.827   12.571   30.645   4.8995   30.097   7.9686   30.978   6.2126  146.906   21.584  151.438   16.084 -4.531174 26.91775 
1 1 1   15   11   12 o  132.280   14.775   23.579   4.9762   23.770   9.4580   23.507   5.8516  126.255   29.459  130.996   17.698 -4.741577 34.36640 
1 1 1   15   11   13 f  326.234   12.139  140.675   10.258  121.800   15.063  157.000   14.009  298.228   19.609  342.259   15.801 -44.03040 25.18308 
1 1 1   15   11   14 o  114.950   17.815   18.266   5.1330   11.950   8.9608   21.350   6.2621   90.990   31.358  123.385   20.300 -32.39542 37.35480 
1 1 1   15   11   15 o  180.766   17.358   44.634   8.0277   0.0000   0.0000   44.634   8.0277  ?   ?   180.766   17.358 0.000000 17.35791 
1 1 1   15   11   16 o  188.183   11.234   46.961   5.4512   23.240   11.107   54.487   6.2565  120.734   34.045  202.431   11.985 -81.69696 36.09318 
1 1 1   15   11   17 o  104.442   17.053   15.149   4.4542   11.930   9.2879   16.111   5.0759   90.131   31.866  106.956   19.018 -16.82533 37.11008 
1 1 1   15   11   18 o   72.052   20.745   7.4404   4.0814 -13.0100   8.2106   14.152   4.7037   44.629   21.772  100.039   18.843 -55.41049 28.79402 
1 1 1   15   11   19 o  146.584   13.196   28.938   4.9569   19.750   9.7398   32.150   5.7585  111.172   32.057  153.911   14.620 -42.73947 35.23363 
1 1 1   15   11   20 o   41.664   18.314  -0.5395   3.8168  -7.5160   8.2086   1.3849   4.3111   50.018   23.701   49.378   20.499 0.6396484 31.33599 
1 1 1   15   11   21 o   77.780   21.856   8.8766   4.5859  -0.6862   10.033   11.402   5.1560   64.795   29.015   87.747   22.560 -22.95181 36.75297 
1 1 1   15   11   22 o  159.937   13.815   34.721   5.6672   16.390   11.357   40.799   6.5396   99.374   35.226  172.922   14.741 -73.54783 38.18604 
1 1 1   15   11   23 o   66.974   22.612   6.3512   4.6558 -27.4800   10.101   15.477   5.2463   41.100   20.699  103.095   20.368 -61.99431 29.03967 
1 1 1   15   11   24 o   41.650   19.113  -2.4445   4.6896   13.140   9.8420  -7.0223   5.3341   89.955   32.681   37.831   18.239 52.12365 37.42608 
1 1 1   15   11   25 o  147.744   22.555   32.521   8.3583   0.0000   0.0000   32.521   8.3583  ?   ?   147.744   22.555 0.000000 22.55532 
1 1 1   15   11   26 o   77.676   24.673   9.3769   5.5794   6.8030   11.792   10.119   6.3332   76.997   33.021   80.042   26.358 -3.044434 42.25047 
1 1 1   15   11   27 o   56.500   23.169   3.0355   5.4179  -2.4870   11.420   4.6396   6.1547   62.984   29.230   62.610   25.048 0.3735695 38.49420 
1 1 1   15   11   28 f  180.161   20.073   47.913   9.2083   40.650   12.972   55.290   13.073  149.288   34.270  183.198   28.474 -33.90971 44.55605 
1 1 1   15   11   29 o  109.963   22.886   18.904   6.3066   14.560   12.719   20.320   7.2623   87.830   35.698  111.660   25.649 -23.83041 43.95647 
1 1 1   15   11   30 o   54.394   23.124   2.2391   5.6925  -5.6370   12.213   4.4250   6.4342   59.872   28.525   61.481   25.234 -1.609249 38.08451 
1 1 1   15   11   31 o   69.352   25.441   7.6220   5.9852  -5.0090   11.178   12.699   7.0866   57.646   27.415   84.930   27.878 -27.28459 39.09896 
1 1 1   15   11   32 o   64.327   25.369   6.0651   6.2287 -11.8400   11.875   12.861   7.3159   52.870   25.876   84.139   28.345 -31.26894 38.38010 
1 1 1   15   11   33 o   68.840   26.319   7.9031   6.5452   5.2040   13.426   8.7446   7.4963   69.695   32.114   71.247   27.915 -1.552109 42.55036 
1 1 1   15   12    0 o  195.078   13.617   50.500   6.8375   0.0000   0.0000   50.500   6.8375  ?   ?   195.078   13.617 0.000000 13.61663 
1 1 1   15   12    1 o  185.685   13.253   45.718   6.3325   0.0000   0.0000   45.718   6.3325  ?   ?   185.685   13.253 0.000000 13.25292 
1 1 1   15   12    2 o   34.687   15.894  -2.1256   3.2266   0.0000   0.0000  -2.1256   3.2266  ?   ?    34.687   15.894 0.000000 15.89378 
1 1 1   15   12    3 o   75.128   18.377   7.8697   3.5467   0.0000   0.0000   7.8697   3.5467  ?   ?    75.128   18.377 0.000000 18.37674 
1 1 1   15   12    4 o  253.268   10.629   84.121   6.9730   0.0000   0.0000   84.121   6.9730  ?   ?   253.268   10.629 0.000000 10.62892 
1 1 1   15   12    5 o  331.541   10.338  144.085   8.8781   0.0000   0.0000  144.085   8.8781  ?   ?   331.541   10.338 0.000000 10.33794 
1 1 1   15   12    6 o  214.230   15.393   61.357   8.4848   0.0000   0.0000   61.357   8.4848  ?   ?   214.230   15.393 0.000000 15.39268 
1 1 1   15   12    7 o  175.166   16.062   41.267   7.2066   0.0000   0.0000   41.267   7.2066  ?   ?   175.166   16.062 0.000000 16.06179 
1 1 1   15   12    8 o  274.969   12.203   99.714   8.6918   94.400   13.094  103.900   11.622  263.395   19.326  278.368   16.188 -14.97266 25.20996 
1 1 1   15   12    9 o  183.176   13.773   44.736   6.4874   42.720   10.529   45.970   8.2364  174.099   23.985  184.125   17.479 -10.02632 29.67814 
1 1 1   15   12   10 o   58.206   20.988   4.0540   4.0480   5.7752   7.0771   3.2170   4.9350   71.681   27.377   58.130   22.684 13.55083 35.55371 
1 1 1   15   12   11 o  317.070   10.891  132.345   8.9452  129.961   11.937  135.400   13.510  312.095   14.765  317.023   16.509 -4.927887 22.14845 
1 1 1   15   12   12 f  147.144   13.440   28.995   5.0660   22.495   7.7869   33.764   6.6706  124.497   25.015  157.582   16.592 -33.08513 30.01687 
1 1 1   15   12   13 o  153.700   14.695   31.857   5.7790   22.890   10.188   36.111   7.0173  121.591   31.935  162.726   16.894 -41.13464 36.12867 
1 1 1   15   12   14 o   53.501   23.562  -0.6728   6.3432   0.0000   0.0000  -0.6728   6.3432  ?   ?    53.501   23.562 0.000000 23.56151 
1 1 1   15   12   15 o   43.142   18.354   0.3654   3.5905   7.3070   9.3222  -0.8437   3.8907   78.995   31.074   41.506   18.357 37.48950 36.09090 
1 1 1   15   12   16 o  205.691   11.066   56.120   5.8742   23.050   11.523   67.730   6.8279  118.879   35.040  225.705   11.719 -106.8260 36.94807 
1 1 1   15   12   17 o  112.490   16.567   17.515   4.6827 -10.2800   9.6417   26.096   5.3570   52.390   25.065  138.332   15.201 -85.94267 29.31455 
1 1 1   15   12   18 o  121.424   14.904   20.157   4.5894   16.380   9.8634   21.201   5.1848  101.269   32.872  123.824   16.581 -22.55544 36.81723 
1 1 1   15   12   19 o   34.188   16.093  -3.5607   3.6704   9.4010   8.0498  -6.9629   4.1241   81.234   29.549   31.740   15.473 49.49415 33.35500 
1 1 1   15   12   20 o   52.506   20.543   2.7381   4.0552   18.530   9.3456  -0.9250   4.5010  106.952   31.565   44.188   19.634 62.76418 37.17294 
1 1 1   15   12   21 o   79.416   21.516   9.3078   4.5359   8.6520   10.301   9.4655   5.0520   81.311   32.448   79.701   23.119 1.610153 39.84136 
1 1 1   15   12   22 o  114.943   17.664   18.675   5.0910   11.720   10.977   20.581   5.7463   87.839   33.955  119.941   19.139 -32.10220 38.97790 
1 1 1   15   12   23 o   56.592   21.898   3.6030   4.5689   5.3350   10.372   3.1859   5.0894   73.895   31.305   56.831   22.763 17.06442 38.70580 
1 1 1   15   12   24 o   60.642   22.937   4.6262   4.9377  -2.3590   9.7945   7.0063   5.7173   60.190   27.621   69.802   24.967 -9.611664 37.23259 
1 1 1   15   12   25 o   69.440   26.136   6.7780   6.3924  -2.5970   11.226   11.276   7.7763   62.992   29.144   83.386   29.185 -20.39427 41.24490 
1 1 1   15   12   26 o   78.654   26.833   9.8823   6.5572   21.770   12.072   4.9069   7.8098  105.832   36.401   66.560   27.607 39.27181 45.68547 
1 1 1   15   12   27 o   64.729   26.380   5.0081   6.9698   5.2370   10.676   4.8380   9.2013   71.370   31.015   68.362   29.239 3.007690 42.62445 
1 1 1   15   12   28 f   63.156   24.513   5.3826   5.7391  -1.0540   11.965   7.3062   6.5406   64.538   29.940   69.728   26.393 -5.189987 39.91239 
1 1 1   15   12   29 o   93.540   24.111   14.203   5.8789   4.9950   12.620   16.755   6.6437   72.158   32.410  100.667   25.461 -28.50919 41.21517 
1 1 1   15   12   30 o   72.967   25.956   8.7363   6.1712   9.6950   12.726   8.4415   7.0564   77.786   33.833   72.210   27.394 5.575974 43.53270 
1 1 1   15   12   31 o   72.500   25.693   8.7810   6.0414   17.860   13.264   6.4047   6.7862   89.403   36.410   65.923   26.327 23.47966 44.93066 
1 1 1   15   12   32 f   72.103   26.614   8.9624   6.5648   3.1190   13.613   10.733   7.4937   67.984   31.672   76.758   28.414 -8.773949 42.54957 
1 1 1   15   12   33 o   53.166   23.481   1.7244   6.3438   21.660   13.896  -3.5238   7.1300   90.579   37.121   47.112   22.254 43.46674 43.28011 
1 1 1   15   13    0 o   71.843   26.684   6.0823   6.6198  -2.9150   16.295   7.8607   7.2446   80.976   36.557   78.320   28.095 2.656303 46.10539 
1 1 1   15   13    1 o  149.169   18.547   30.393   7.0117   27.730   15.794   31.047   7.8252  131.438   41.486  149.863   20.712 -18.42516 46.36862 
1 1 1   15   13    2 o   47.787   18.915   1.8375   3.4740   14.960   13.328   0.8809   3.5984  103.253   37.951   45.141   18.733 58.11232 42.32234 
1 1 1   15   13    3 o  213.173   10.861   59.842   5.9775   71.120   17.383   58.330   6.3657  220.203   31.361  210.164   11.740 10.03905 33.48679 
1 1 1   15   13    4 o  132.995   12.967   23.587   4.4103   30.640   14.259   22.841   4.6377  139.118   38.339  130.570   13.927 8.548737 40.79058 
1 1 1   15   13    5 f   63.665   19.427   5.5506   3.4961   21.100   13.949   4.5083   3.6114  116.535   39.140   59.058   19.915 57.47632 43.91505 
1 1 1   15   13    6 o  190.085   14.582   48.326   7.1249   80.950   16.748   41.117   7.8728  237.454   27.753  173.926   17.722 63.52702 32.92881 
1 1 1   15   13    7 o   95.900   19.937   12.940   4.7910   17.028   7.7747   10.437   6.0833  107.378   27.752   85.266   25.538 22.11203 37.71416 
1 1 1   15   13    8 f  178.362   12.491   42.266   5.7345   35.514   8.7183   47.416   7.6132  159.418   21.675  187.583   15.816 -28.16466 26.83163 
1 1 1   15   13    9 o  224.995   10.989   66.679   6.4045   63.429   9.7415   69.152   8.4997  216.042   17.559  227.303   14.512 -11.26160 22.77996 
1 1 1   15   13   10 o   46.657   19.615   0.7473   4.0224   2.4147   7.0869  -0.0451   4.8856   63.009   26.230   48.714   21.075 14.29519 33.64765 
1 1 1   15   13   11 o  173.391   12.795   40.110   5.7060   24.671   8.8764   50.983   7.4491  128.917   27.424  194.628   14.889 -65.71138 31.20516 
1 1 1   15   13   12 o   74.162   22.777   7.8164   4.7966   5.8620   11.062   8.2689   5.3230   79.717   32.943   76.240   24.087 3.477783 40.80972 
1 1 1   15   13   13 o   96.445   31.754   14.179   9.1921   20.260   12.918   7.9420   13.083  111.475   37.665   86.632   35.815 24.84351 51.97485 
1 1 1   15   13   14 o  181.645   11.698   43.915   5.4747   25.750   10.987   49.915   6.3145  127.121   33.056  193.256   12.684 -66.13468 35.40624 
1 1 1   15   13   15 o  173.974   12.132   40.423   5.4332   21.900   10.976   46.435   6.2531  116.036   34.196  186.085   13.055 -70.04861 36.60353 
1 1 1   15   13   16 o  216.657   10.934   62.312   6.1165   28.770   11.760   74.751   7.1615  132.859   34.023  237.223   11.655 -104.3636 35.96363 
1 1 1   15   13   17 o  118.259   15.684   19.262   4.6859   21.800   10.257   18.593   5.2677  115.823   32.735  114.960   18.304 0.8634262 37.50474 
1 1 1   15   13   18 o   83.620   20.788   10.206   4.4833   6.4790   9.2573   11.348   5.1244   75.725   30.569   87.588   22.475 -11.86290 37.94188 
1 1 1   15   13   19 f  130.213   15.665   23.380   5.1777   20.120   10.212   24.508   6.0072  110.155   33.110  132.109   18.025 -21.95383 37.69837 
1 1 1   15   13   20 o  244.932   11.015   79.809   6.9885   38.660   13.460   94.997   8.1771  151.260   35.040  266.677   11.838 -115.4171 36.98534 
1 1 1   15   13   21 o   70.585   22.741   7.2772   4.7270  -0.8751   10.134   9.5440   5.3439   63.901   28.841   79.511   23.964 -15.61035 37.49706 
1 1 1   15   13   22 o   61.200   22.654   4.8315   4.7633   3.0010   10.218   5.3397   5.3841   69.508   30.274   64.146   24.017 5.361298 38.64354 
1 1 1   15   13   23 o   66.901   23.207   6.4315   4.9119   16.110   10.748   3.8764   5.5223   95.944   34.241   59.711   23.780 36.23339 41.68827 
1 1 1   15   13   24 o  122.603   27.736   24.381   8.6026   0.0000   0.0000   24.381   8.6026  ?   ?   122.603   27.736 0.000000 27.73648 
1 1 1   15   13   25 o  112.984   27.044   20.847   7.8096   37.730   12.951   11.200   9.7897  143.411   35.139   82.604   32.028 60.80660 47.54551 
1 1 1   15   13   26 o   46.907   21.112  -0.9440   5.3863  -6.5110   10.579   1.0040   6.2581   56.083   26.671   53.944   23.588 2.138966 35.60542 
1 1 1   15   13   27 o   87.999   24.562   12.594   5.8121   2.4400   12.454   15.420   6.5716   69.350   31.566   96.589   25.783 -27.23889 40.75775 
1 1 1   15   13   28 o   65.909   24.640   6.4603   5.6626   14.140   12.041   4.2796   6.4164   85.914   34.800   61.015   25.140 24.89914 42.93048 
1 1 1   15   13   29 o   70.202   25.219   7.8983   5.8394  -7.0220   11.457   13.135   6.7872   56.403   27.074   86.886   27.162 -30.48309 38.35087 
1 1 1   15   13   30 f   71.947   26.697   8.6232   6.6233   6.1590   11.731   9.7761   8.0245   70.877   31.582   75.121   29.034 -4.244118 42.89965 
1 1 1   15   13   31 o  130.212   20.222   26.229   6.5993   23.420   13.233   27.159   7.6136   97.913   37.426  128.803   23.693 -30.88992 44.29510 
1 1 1   15   13   32 o   72.952   26.063   9.4521   6.2287 -10.2900   12.302   16.257   7.2229   53.590   26.252   93.268   27.804 -39.67747 38.23893 
1 1 1   15   14    0 o  149.463   13.878   29.901   5.3116   19.820   17.206   30.964   5.5844  114.145   42.895  151.945   14.359 -37.79985 45.23490 
1 1 1   15   14    1 o  158.895   15.431   34.013   6.2710   52.330   16.703   31.008   6.7660  183.594   36.408  150.752   17.662 32.84216 40.46583 
1 1 1   15   14    2 o  184.897   23.867   48.219   11.164   51.010   16.044   45.600   15.545  182.032   35.301  171.157   36.193 10.87517 50.55779 
1 1 1   15   14    3 o  126.585   21.300   22.503   6.7362   15.300   14.483   24.491   7.6094  103.791   39.277  131.274   23.228 -27.48222 45.63176 
1 1 1   15   14    4 o  302.628   12.383  121.098   9.7070  135.400   21.178  117.295   10.922  307.727   26.837  296.879   14.203 10.84744 30.36376 
1 1 1   15   14    5 o  333.372   12.133  146.889   10.478  157.100   21.997  143.892   11.916  332.560   25.736  328.869   13.988 3.691162 29.29197 
1 1 1   15   14    6 o  254.771   11.179   85.564   7.3775   88.157   11.065   83.489   9.8986  255.305   16.827  249.284   15.405 6.020874 22.81325 
1 1 1   15   14    7 o  161.825   13.975   35.122   5.8006   27.447   9.0253   40.524   7.5715  137.011   26.388  172.455   17.178 -35.44400 31.48652 
1 1 1   15   14    8 o  100.267   20.133   14.233   5.0473   9.5894   8.0611   17.228   6.4731   83.412   29.666  109.060   23.599 -25.64777 37.90786 
1 1 1   15   14    9 o   80.800   21.601   9.3889   4.6081   1.3809   7.2393   14.844   5.9749   61.052   26.019  101.077   23.298 -40.02491 34.92567 
1 1 1   15   14   10 o   57.438   26.386  -4.2874   8.9700   4.5640   13.022 -12.2800   12.374   81.297   34.778   59.643   28.497 21.65398 44.96209 
1 1 1   15   14   11 o  118.644   31.505   22.023   9.8447   33.980   15.444   13.840   12.777  140.728   40.307   97.172   36.863 43.55634 54.62135 
1 1 1   15   14   12 o  108.092   18.772   16.438   5.0652   8.0644   8.0802   21.859   6.5011   78.475   29.414  123.883   21.010 -45.40870 36.14737 
1 1 1   15   14   13 o   90.993   20.396   11.923   4.6883   20.461   7.2659   5.8319   6.1368  117.662   24.630   68.570   25.648 49.09149 35.55884 
1 1 1   15   14   14 o  104.010   18.998   15.339   4.9297   6.1687   7.3282   22.920   6.6626   71.763   27.743  126.548   21.066 -54.78497 34.83440 
1 1 1   15   14   15 o   73.343   21.735   7.7965   4.4236   23.290   9.5882   3.6068   4.9860  121.311   30.535   58.568   22.816 62.74360 38.11763 
1 1 1   15   14   16 f   56.534   21.380   3.6540   4.2894   5.1000   8.6713   3.1856   4.9356   71.634   29.336   57.003   22.550 14.63082 37.00153 
1 1 1   15   14   17 o  101.193   18.694   14.594   4.7196   17.620   9.8649   13.696   5.3746  103.630   32.796   96.398   22.008 7.232582 39.49587 
1 1 1   15   14   18 o   38.632   17.931  -3.0685   4.2994   9.5620   8.4914  -7.4228   4.9858   81.328   30.218   35.761   17.336 45.56678 34.83823 
1 1 1   15   14   19 o  138.163   15.543   26.366   5.4658   28.320   10.807   25.695   6.3360  131.011   32.098  134.578   18.679 -3.567383 37.13709 
1 1 1   15   14   20 o   66.669   23.076   6.2647   4.8553   0.6234   10.262   7.8918   5.5112   66.197   29.514   73.198   24.602 -7.000412 38.42348 
1 1 1   15   14   21 o   41.183   18.847  -2.1957   4.5178  -8.5290   9.7145  -0.4479   5.1033   53.033   25.314   47.546   21.026 5.486984 32.90746 
1 1 1   15   14   22 o  168.210   14.178   38.892   6.1199   19.490   12.284   45.298   7.0584  102.445   36.601  180.843   15.209 -78.39841 39.63501 
1 1 1   15   14   23 o   30.135   15.096 -12.9662   5.0239   0.0000   0.0000 -12.9662   5.0239  ?   ?    30.135   15.096 0.000000 15.09622 
1 1 1   15   14   24 o   79.234   33.260   9.0420   11.535   9.0420   11.535   0.0000   0.0000   79.234   33.260  ?   ?  0.000000 33.25989 
1 1 1   15   14   25 o   36.136   17.531  -7.1123   5.1234 -13.8200   11.342  -5.3929   5.7427   51.737   25.315   41.157   19.595 10.58073 32.01267 
1 1 1   15   14   26 o   52.991   22.769   1.6598   5.6256 -11.5900   12.190   5.2453   6.3413   55.109   26.806   63.605   25.432 -8.496063 36.95073 
1 1 1   15   14   27 o   46.112   20.964  -1.2900   5.4734 -11.4300   10.990   2.0545   6.3119   51.905   25.293   55.581   24.000 -3.676155 34.86757 
1 1 1   15   14   28 o  124.469   20.022   23.539   6.2365   26.930   13.482   22.615   7.0344  108.326   38.382  118.510   23.742 -10.18404 45.13195 
1 1 1   15   14   29 o   78.996   25.827   10.731   6.0848   9.1030   12.691   11.217   6.9336   75.579   33.304   79.578   27.575 -3.998558 43.23781 
1 1 1   15   14   30 o   48.888   22.037  -0.1574   5.8946   22.950   12.977  -6.1642   6.6165   97.431   37.105   42.650   20.500 54.78150 42.39154 
1 1 1   15   14   31 o  146.775   18.511   32.753   6.8812   6.6470   13.310   42.276   8.0389   70.251   32.223  166.238   19.011 -95.98710 37.41307 
1 1 1   15   14   32 o  144.309   22.729   34.478   8.2152   24.570   14.025   39.653   10.136   93.045   37.603  147.856   27.477 -54.81094 46.57230 
1 1 1   15   15    0 o  219.246   11.659   63.679   6.5977   45.840   17.400   66.674   7.1301  166.125   40.746  224.061   12.333 -57.93631 42.57150 
1 1 1   15   15    1 o  221.429   11.398   64.889   6.5152   81.000   17.810   62.400   7.0004  233.680   30.125  216.649   12.528 17.03127 32.62634 
1 1 1   15   15    2 o  306.613   10.178  123.647   8.0836  107.000   19.751  126.996   8.8597  270.358   28.639  310.330   11.022 -39.97192 30.68701 
1 1 1   15   15    3 o  397.407   9.7402  207.483   10.027  235.200   25.023  202.182   10.944  408.549   23.748  391.671   10.787 16.87860 26.08305 
1 1 1   15   15    4 o  215.796   15.229   62.735   8.4582   69.160   18.693   61.081   9.4846  210.159   35.611  211.650   17.456 -1.490906 39.65905 
1 1 1   15   15    5 o  167.836   25.722   40.872   10.826   21.030   15.115   61.770   15.513  113.610   40.600  202.881   30.459 -89.27050 50.75539 
1 1 1   15   15    6 o  186.419   23.856   49.661   11.255   38.820   17.582   57.190   14.651  148.872   43.112  195.321   29.911 -46.44907 52.47246 
1 1 1   15   15    7 o  100.582   33.157   15.641   10.021   18.230   13.644   12.610   14.765  107.029   38.539   96.901   38.786 10.12765 54.67691 
1 1 1   15   15    8 f  229.715   11.407   69.845   6.7875   68.084   9.8501   71.438   9.3661  223.230   17.166  229.561   15.848 -6.331665 23.36351 
1 1 1   15   15    9 f  154.360   14.698   32.273   5.8057   26.409   8.7538   36.878   7.7573  133.332   26.281  162.978   18.715 -29.64679 32.26307 
1 1 1   15   15   10 o  188.670   12.779   47.653   6.2083   45.544   9.4697   49.243   8.2217  179.810   20.710  189.531   16.925 -9.721390 26.74611 
1 1 1   15   15   11 o   51.041   21.093   1.6006   4.5348   7.3258   7.2889  -2.0150   5.7923   74.904   27.964   48.240   21.785 26.66331 35.44850 
1 1 1   15   15   12 o  255.340   11.000   86.408   7.2752   75.549   10.826   95.351   9.8241  233.763   18.018  265.796   14.322 -32.03302 23.01674 
1 1 1   15   15   13 o  128.412   16.033   22.736   5.2167   15.538   7.9862   28.093   6.8896   99.665   29.112  141.097   19.361 -41.43183 34.96265 
1 1 1   15   15   14 o  134.394   15.550   24.829   5.3132   21.482   7.9000   27.593   7.1796  118.791   26.362  138.932   20.572 -20.14111 33.43921 
1 1 1   15   15   15 o   92.393   23.006   12.730   5.4850  -1.1180   9.6904   19.258   6.6533   62.984   28.335  113.958   23.325 -50.97386 36.70065 
1 1 1   15   15   16 o   73.814   21.762   7.9981   4.4443   2.8960   9.5858   9.3951   5.0160   68.921   29.669   79.416   23.036 -10.49500 37.56219 
1 1 1   15   15   17 o   81.083   21.948   9.7824   4.7224   8.9380   10.303   10.007   5.3134   81.490   32.472   81.497   23.729 -0.7316589E-02 40.21850 
1 1 1   15   15   18 o   88.972   21.300   11.752   4.8437   12.740   9.9851   11.448   5.5390   89.361   32.848   86.692   23.897 2.668549 40.62112 
1 1 1   15   15   19 o  101.961   20.312   15.246   5.1762   2.8140   10.554   19.184   5.9398   69.920   30.601  114.361   20.818 -44.44080 37.01128 
1 1 1   15   15   20 o   47.974   20.733   0.4895   4.7183   1.8660   9.6517   0.0572   5.4087   65.982   29.061   49.808   21.850 16.17390 36.35859 
1 1 1   15   15   21 o   77.256   23.123   9.1569   4.9883   7.8040   10.664   9.5359   5.6438   77.480   32.208   78.333   24.808 -0.8531494 40.65453 
1 1 1   15   15   22 o   53.642   23.986  -0.3587   6.8310   3.7590   10.858  -3.0560   8.7881   70.242   30.883   55.654   25.763 14.58744 40.21783 
1 1 1   15   15   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15   24 o   53.570   22.574   2.1878   5.3472   1.6250   11.814   2.3328   5.9967   67.568   30.750   55.840   23.737 11.72722 38.84583 
1 1 1   15   15   25 o  130.545   19.115   25.299   6.2723   10.510   13.215   29.600   7.1261   80.432   34.729  140.357   20.181 -59.92567 40.16711 
1 1 1   15   15   26 o  127.176   19.343   24.244   6.1711   23.190   12.515   24.583   7.0936  103.167   36.934  124.968   22.752 -21.80049 43.37974 
1 1 1   15   15   27 o   49.919   22.340   0.0163   5.9380  -2.9100   12.785   0.8211   6.7050   62.452   29.589   53.773   23.924 8.679440 38.05135 
1 1 1   15   15   28 o   87.456   25.017   13.039   5.9531   17.650   12.194   11.596   6.8212   89.501   35.433   80.714   27.369 8.786926 44.77231 
1 1 1   15   15   29 o   44.033   20.612  -2.9954   5.8789   12.330   12.876  -7.0312   6.6078   78.724   34.136   41.599   20.116 37.12527 39.62247 
1 1 1   15   15   30 o   62.301   25.169   5.7762   6.2809   17.820   13.967   2.7232   7.0320   84.698   36.120   56.731   24.900 27.96769 43.87072 
1 1 1   15   15   31 o  192.658   15.500   54.359   7.6696   44.290   15.548   57.596   8.8170  126.167   41.287  195.096   17.638 -68.92896 44.89669 
1 1 1   15   16    0 o  190.744   12.577   48.566   6.1792   58.510   17.526   47.154   6.6032  190.364   36.874  187.425   13.696 2.938217 39.33559 
1 1 1   15   16    1 o   69.399   22.372   6.7251   4.5745   18.960   14.792   5.4313   4.8103  108.379   39.960   64.760   22.929 43.61940 46.07068 
1 1 1   15   16    2 o  141.887   14.714   27.283   5.3292   13.260   15.228   29.241   5.6889   98.071   39.341  146.727   15.188 -48.65571 42.17085 
1 1 1   15   16    3 o  110.832   23.855   17.984   6.6457   32.520   15.925   14.919   7.3130  136.343   41.430   99.314   27.491 37.02858 49.72123 
1 1 1   15   16    4 o   97.030   21.930   13.651   5.3821   16.173   7.9416   11.509   7.3192  102.779   28.720   87.927   28.294 14.85174 40.31580 
1 1 1   15   16    5 o  117.062   18.764   19.224   5.4977   18.804   8.4663   19.530   7.2292  110.448   29.162  114.847   25.009 -4.399193 38.41758 
1 1 1   15   16    6 o  318.751   10.480  134.189   8.6529  133.029   12.659  135.207   11.855  313.716   15.577  317.219   14.428 -3.502777 21.23234 
1 1 1   15   16    7 o  184.171   13.386   45.591   6.3420   41.101   9.4555   49.263   8.5506  169.700   22.030  188.995   17.671 -19.29527 28.24195 
1 1 1   15   16    8 o  134.654   15.894   24.888   5.4368   22.690   7.8302   26.933   7.5547  123.418   25.342  136.797   22.071 -13.37877 33.60585 
1 1 1   15   16    9 o  151.013   15.209   31.124   5.8682   34.990   8.7901   28.015   7.8817  155.834   22.422  139.045   22.664 16.78862 31.88119 
1 1 1   15   16   10 o   49.699   20.919   1.1006   4.5832   4.9612   6.8904  -1.9629   6.1380   67.411   26.652   49.657   22.425 17.75385 34.83135 
1 1 1   15   16   11 f  141.274   15.473   27.389   5.5695   20.174   8.0282   34.082   7.7329  114.352   27.451  155.237   19.672 -40.88506 33.77232 
1 1 1   15   16   12 o  172.869   14.071   40.554   6.2459   33.841   9.2980   46.074   8.4315  151.031   24.615  181.666   18.161 -30.63495 30.58938 
1 1 1   15   16   13 o  160.932   14.691   35.366   6.0566   37.289   9.3055   33.953   7.9776  159.513   23.201  154.040   20.503 5.472061 30.96222 
1 1 1   15   16   14 o  196.849   12.566   52.150   6.3738   35.841   9.2672   66.791   8.7803  155.707   23.727  220.801   15.449 -65.09451 28.31328 
1 1 1   15   16   15 o   59.092   22.209   4.2405   4.6122   0.1387   7.0610   7.2930   6.0913   56.513   24.874   71.925   25.766 -15.41284 35.81354 
1 1 1   15   16   16 o  151.330   14.148   31.316   5.4817   15.100   10.783   36.968   6.3657   95.032   34.255  163.889   15.167 -68.85648 37.46292 
1 1 1   15   16   17 o   38.553   18.087  -3.8187   4.5693   3.9700   10.562  -5.6120   5.0681   71.820   31.029   38.361   18.303 33.45889 36.02544 
1 1 1   15   16   18 o   40.144   18.670  -3.2290   4.6985  -5.3240   10.262  -2.6733   5.2851   57.973   27.168   43.943   20.211 14.02997 33.86098 
1 1 1   15   16   19 o   84.572   23.157   11.013   5.2215   8.5140   10.497   11.834   6.0189   78.853   32.283   86.647   25.263 -7.794106 40.99291 
1 1 1   15   16   20 o   38.499   18.289  -4.8923   4.9474  -4.5720   9.8000  -5.0019   5.7314   56.855   26.614   42.005   19.875 14.85045 33.21640 
1 1 1   15   16   21 o   75.031   27.916   8.6805   7.2515   6.6070   10.502   10.570   10.025   73.944   31.422   81.185   32.132 -7.240517 44.94196 
1 1 1   15   16   22 o  104.288   30.940   19.420   8.9605   0.0000   0.0000   19.420   8.9605  ?   ?   104.288   30.940 0.000000 30.94040 
1 1 1   15   16   23 o   82.582   24.558   11.104   5.6399  -9.6610   12.318   16.611   6.3439   56.953   27.523  101.440   24.434 -44.48652 36.80373 
1 1 1   15   16   24 o   55.457   23.485   2.5734   5.8337   16.130   12.196  -1.4489   6.6430   89.377   35.419   50.074   22.893 39.30352 42.17361 
1 1 1   15   16   25 o   52.829   22.687   1.8864   5.5796   8.1650   11.132  -0.2205   6.4482   74.127   31.941   51.249   23.079 22.87803 39.40639 
1 1 1   15   16   26 o  170.917   16.203   42.190   7.0876   29.620   13.982   46.537   8.2223  111.248   39.123  177.284   18.161 -66.03654 43.13284 
1 1 1   15   16   27 o  183.128   18.374   50.083   8.5982   69.550   15.496   41.424   10.335  192.650   32.189  156.121   26.504 36.52904 41.69666 
1 1 1   15   16   28 o  151.194   18.008   34.284   6.9140   34.280   14.303   34.285   7.8981  116.322   39.631  147.417   21.301 -31.09482 44.99279 
1 1 1   15   16   29 o  129.328   20.996   26.613   6.7923   14.430   13.390   30.834   7.8815   79.677   34.680  136.841   23.055 -57.16372 41.64418 
1 1 1   15   16   30 o   85.752   26.314   13.721   6.4036   7.1810   14.184   15.395   7.1765   69.400   32.331   88.953   27.950 -19.55286 42.73745 
1 1 1   15   17    0 o   68.422   22.796   6.5296   4.7321   14.970   15.548   5.6679   4.9678   99.572   39.820   65.554   23.292 34.01798 46.13153 
1 1 1   15   17    1 o  159.248   13.881   34.278   5.6688   29.260   15.083   35.103   6.1173  128.158   40.552  160.683   14.866 -32.52486 43.19090 
1 1 1   15   17    2 o  180.899   12.859   43.923   5.9865   39.940   16.450   44.531   6.4272  149.732   41.144  181.696   13.758 -31.96393 43.38363 
1 1 1   15   17    3 o  194.529   13.337   50.906   6.6798   49.000   9.6311   52.672   9.2723  186.414   20.272  194.538   18.628 -8.123993 27.53162 
1 1 1   15   17    4 o   42.306   19.644  -3.6499   5.1670  -1.0462   7.4024  -6.1238   7.2156   56.222   25.067   47.840   22.533 8.381992 33.70594 
1 1 1   15   17    5 o  134.708   24.449   26.822   8.2169   0.0000   0.0000   26.822   8.2169  ?   ?   134.708   24.449 0.000000 24.44911 
1 1 1   15   17    6 o  202.448   12.922   55.069   6.7411   51.303   10.085   58.111   9.0635  190.045   20.827  205.182   17.212 -15.13602 27.01937 
1 1 1   15   17    7 o  115.733   19.082   19.019   5.5210   11.575   8.0369   25.671   7.5973   87.140   29.707  132.445   22.978 -45.30594 37.55678 
1 1 1   15   17    8 o   63.757   23.442   5.1855   5.0859  -0.3254   7.5541   9.7546   6.8783   57.733   25.554   81.012   27.483 -23.27854 37.52791 
1 1 1   15   17    9 o  119.653   17.745   20.130   5.3332   15.132   8.2704   23.687   6.9778   97.473   29.903  127.528   21.913 -30.05518 37.07269 
1 1 1   15   17   10 o   85.860   22.449   10.984   5.0490   4.6002   7.1460   17.348   7.1348   66.596   26.867  106.161   26.123 -39.56470 37.47360 
1 1 1   15   17   11 o  119.943   18.112   20.351   5.4520   9.3094   7.8669   30.556   7.5627   79.875   29.188  145.742   20.608 -65.86679 35.72940 
1 1 1   15   17   12 o  124.271   17.795   21.797   5.5648   26.874   8.7327   18.326   7.2207  132.238   26.419  108.931   25.959 23.30660 37.03802 
1 1 1   15   17   13 o   54.458   22.258   2.4360   4.9798  -5.0032   7.9788   7.1829   6.3736   51.585   24.104   71.774   26.265 -20.18863 35.64922 
1 1 1   15   17   14 o  254.608   11.194   86.547   7.3825   62.548   10.587  109.262   10.300  209.265   19.765  283.674   14.017 -74.40907 24.23087 
1 1 1   15   17   15 o   48.698   21.031   0.5149   4.8476   8.9374   7.4053  -5.8006   6.4124   77.552   28.321   44.241   20.959 33.31094 35.23347 
1 1 1   15   17   16 o   77.033   23.046   9.0143   4.9560   14.361   7.2828   4.4029   6.7637   94.201   27.882   64.198   26.054 30.00343 38.16041 
1 1 1   15   17   17 o  148.538   15.526   30.744   5.8854   15.860   12.578   34.916   6.6594   94.334   36.380  157.639   16.556 -63.30540 39.97007 
1 1 1   15   17   18 o   93.861   25.433   14.046   6.3372   20.400   11.867   11.511   7.4955  103.899   36.070   83.991   28.689 19.90805 46.08820 
1 1 1   15   17   19 f   42.085   20.183  -6.8379   6.3352 -15.1600   10.389  -1.9110   7.9935   48.537   23.847   54.732   25.056 -6.195576 34.59013 
1 1 1   15   17   20 o   59.876   24.731   3.6583   6.2292   0.0000   0.0000   3.6583   6.2292  ?   ?    59.876   24.731 0.000000 24.73052 
1 1 1   15   17   21 o   97.390   30.353   16.992   8.4830   0.0000   0.0000   16.992   8.4830  ?   ?    97.390   30.353 0.000000 30.35304 
1 1 1   15   17   22 o   53.292   22.665   2.0615   5.4725   4.1330   11.587   1.4668   6.2085   69.624   31.179   54.159   23.593 15.46500 39.09935 
1 1 1   15   17   23 o  124.468   20.423   23.621   6.3561   17.170   12.961   25.664   7.2934   90.017   36.229  127.424   22.941 -37.40748 42.88158 
1 1 1   15   17   24 o  128.095   20.317   25.126   6.5161   26.730   13.002   24.588   7.5301  108.151   37.744  122.440   24.596 -14.28918 45.05079 
1 1 1   15   17   25 o  113.695   26.450   22.249   7.6429   22.040   12.647   22.369   9.5927   97.425   36.743  106.441   32.113 -9.016319 48.79807 
1 1 1   15   17   26 o  109.893   25.384   20.620   7.0802   0.1894   13.136   28.986   8.4059   64.498   30.386  130.569   25.769 -66.07039 39.84166 
1 1 1   15   17   27 o   52.131   22.722   1.8376   5.7659   0.9797   12.268   2.0808   6.5323   63.339   29.690   54.572   23.975 8.767452 38.16097 
1 1 1   15   17   28 o  139.191   19.348   30.070   6.7872   18.660   14.542   33.249   7.6744   84.280   36.411  144.186   21.179 -59.90511 42.12261 
1 1 1   15   17   29 o   56.759   24.075   4.0104   6.1466   12.420   12.652   1.4121   7.0323   74.814   33.095   53.387   24.066 21.42730 40.91990 
1 1 1   15   17   30 o   33.703   17.047 -19.2239   7.2902 -10.9600   13.993 -22.3025   8.5408   53.865   26.689   35.992   18.232 17.87347 32.32236 
1 1 1   15   18    0 o  109.683   18.852   17.134   5.1631   12.950   15.029   17.693   5.4978   94.041   38.578  110.976   19.854 -16.93572 43.38762 
1 1 1   15   18    1 o   80.083   21.265   9.4363   4.4852   12.650   14.520   9.0973   4.7159   93.161   38.034   78.449   22.205 14.71134 44.04177 
1 1 1   15   18    2 o  111.323   25.156   18.789   7.0831   6.2370   15.779   21.957   7.9266   85.137   37.335  119.841   26.260 -34.70427 45.64574 
1 1 1   15   18    3 o  200.297   13.413   54.207   6.9188   52.703   10.217   55.481   9.4028  192.003   20.880  199.063   18.445 -7.060226 27.86006 
1 1 1   15   18    4 o  209.350   13.028   59.082   7.0298   45.142   10.130   72.030   9.7633  175.988   22.755  228.501   16.609 -52.51295 28.17161 
1 1 1   15   18    5 o  160.308   15.471   35.324   6.3446   37.507   9.4906   33.561   8.5311  159.410   23.706  151.653   22.391 7.757111 32.60837 
1 1 1   15   18    6 o   66.437   24.294   5.8577   5.4515  -1.7406   8.5497   11.063   7.0767   58.337   26.395   84.783   27.860 -26.44594 38.37763 
1 1 1   15   18    7 o  107.129   20.488   16.696   5.4780   11.502   8.4194   20.509   7.2138   86.134   30.352  116.339   24.701 -30.20498 39.13319 
1 1 1   15   18    8 o  224.701   12.010   67.772   6.9649   65.484   10.281   69.711   9.4684  215.703   18.583  224.561   16.391 -8.858749 24.77866 
1 1 1   15   18    9 o   92.867   23.015   13.012   5.5083   5.8096   8.3415   18.580   7.3350   71.439   28.955  109.314   26.238 -37.87485 39.07433 
1 1 1   15   18   10 o   49.155   21.145   0.6281   4.8614  -1.4012   7.2478   2.2878   6.5546   54.223   24.439   59.095   24.952 -4.871849 34.92670 
1 1 1   15   18   11 o  144.007   15.794   28.797   5.7948   34.095   8.7878   24.722   7.7082  151.418   23.140  127.824   24.166 23.59379 33.45802 
1 1 1   15   18   12 o  136.253   16.501   26.004   5.7049   32.027   8.8383   21.702   7.4693  145.523   24.304  118.714   25.076 26.80882 34.92138 
1 1 1   15   18   13 o  216.361   12.262   63.206   6.8437   68.281   10.272   59.155   9.1773  219.646   18.219  205.089   17.441 14.55701 25.22092 
1 1 1   15   18   14 o   97.896   22.525   14.558   5.5931   12.225   8.4191   16.402   7.4832   86.521   30.362  100.451   27.811 -13.93008 41.17402 
1 1 1   15   18   15 o  142.488   18.645   29.211   6.7166   25.780   12.111   30.735   8.0717  117.364   36.216  143.114   22.517 -25.75069 42.64573 
1 1 1   15   18   16 f   93.968   26.514   14.319   6.7346   4.2770   10.355   21.680   8.8656   70.402   30.570  113.208   29.819 -42.80579 42.70466 
1 1 1   15   18   17 o   95.441   27.335   15.081   7.1031   13.110   11.407   16.330   9.0782   87.016   34.327   96.060   31.554 -9.044754 46.62565 
1 1 1   15   18   18 o   40.839   19.110  -3.5257   5.0456  -5.5780   11.510  -3.0374   5.6138   59.384   28.118   44.157   20.493 15.22721 34.79366 
1 1 1   15   18   19 o   55.281   23.653   2.0691   6.0254   0.0000   0.0000   2.0691   6.0254  ?   ?    55.281   23.653 0.000000 23.65298 
1 1 1   15   18   20 o   59.565   25.310   3.2419   6.8135   10.750   11.519  -0.7990   8.4504   79.927   33.370   56.566   25.845 23.36112 42.20856 
1 1 1   15   18   21 o  168.790   15.389   40.503   6.6544   9.1730   13.132   51.326   7.7187   77.386   33.995  189.612   15.861 -112.2255 37.51345 
1 1 1   15   18   22 o   41.734   19.718  -4.1131   5.6042   10.520   11.797  -8.3776   6.3687   77.834   33.194   39.648   19.306 38.18610 38.39999 
1 1 1   15   18   23 o   36.750   17.933  -7.8965   5.5805 -12.7400   11.684  -6.4651   6.3519   51.678   25.370   41.507   19.985 10.17054 32.29564 
1 1 1   15   18   24 o   47.034   21.372  -0.7734   5.6781   2.2260   12.115  -1.6177   6.4278   65.348   30.249   48.141   22.196 17.20689 37.51879 
1 1 1   15   18   25 o  127.225   20.888   25.498   6.6447   28.190   13.076   24.560   7.7151  106.880   37.808  119.440   25.699 -12.56033 45.71484 
1 1 1   15   18   26 o  103.178   25.364   18.641   6.7310   14.030   13.553   20.151   7.7549   79.132   34.655  103.894   28.127 -24.76173 44.63234 
1 1 1   15   18   27 o   50.669   22.634   1.0379   6.0665   1.5630   12.498   0.8760   6.9387   62.793   29.600   52.594   23.789 10.19927 37.97490 
1 1 1   15   18   28 o   36.948   18.165  -8.7500   6.0595   1.7910   13.093 -11.6231   6.8355   62.552   29.725   37.291   18.508 25.26096 35.01627 
1 1 1   15   18   29 o   76.129   26.881   11.587   6.6071  -6.2820   12.730   18.175   7.7297   54.595   26.736   93.375   28.953 -38.77935 39.40934 
1 1 1   15   19    0 o  150.906   15.435   31.462   5.9486   13.940   16.124   34.222   6.4000   94.269   39.431  157.117   15.947 -62.84763 42.53348 
1 1 1   15   19    1 o  174.412   17.886   42.788   7.9664   44.780   17.237   42.246   8.9834  152.144   42.239  171.083   20.692 -18.93947 47.03511 
1 1 1   15   19    2 o  106.487   23.560   17.149   6.3264   1.9775   9.7962   28.003   8.2861   67.167   29.437  136.252   24.372 -69.08439 38.21744 
1 1 1   15   19    3 f  158.600   16.646   35.082   6.7364   24.535   10.003   43.835   9.1126  121.422   31.526  174.333   20.576 -52.91123 37.64628 
1 1 1   15   19    4 o  169.815   15.611   39.860   6.7899   27.057   9.9594   50.979   9.2811  128.736   30.360  189.275   19.196 -60.53883 35.91904 
1 1 1   15   19    5 o  133.208   18.106   25.187   6.0857   24.705   9.4745   25.525   7.9403  123.020   30.001  129.646   24.543 -6.626297 38.76131 
1 1 1   15   19    6 o   59.117   23.598   3.6370   5.4501   9.1688   8.9185   0.3399   6.8853   79.580   30.650   55.948   24.596 23.63276 39.29845 
1 1 1   15   19    7 o  210.655   13.223   60.242   7.1786   51.702   10.969   66.641   9.4943  186.542   23.202  218.480   16.908 -31.93857 28.70908 
1 1 1   15   19    8 o  102.130   21.880   15.608   5.6140   17.338   8.9586   14.489   7.2039  101.473   31.121   94.951   27.625 6.522179 41.61353 
1 1 1   15   19    9 o   63.771   24.353   5.1584   5.5995  -4.8176   8.9209   11.644   7.1929   54.539   25.486   85.415   28.088 -30.87541 37.92708 
1 1 1   15   19   10 o   83.196   24.118   10.714   5.4996   22.787   8.7802   2.9189   7.0549  118.044   28.938   61.391   25.903 56.65353 38.83782 
1 1 1   15   19   11 f  131.264   19.979   25.139   6.5787   15.890   11.901   29.209   7.8946   94.575   35.648  139.577   22.609 -45.00198 42.21348 
1 1 1   15   19   12 f  130.818   22.532   25.774   7.3595   31.850   11.508   21.570   9.5728  135.063   33.143  111.612   31.653 23.45118 45.82970 
1 1 1   15   19   13 o   70.640   27.046   7.0261   6.9179   12.410   11.031   3.5360   8.8815   86.287   33.847   66.336   28.557 19.95068 44.28461 
1 1 1   15   19   14 o   94.150   24.749   14.097   6.1152   15.829   8.2900   12.030   9.0572   95.947   30.023   84.669   31.259 11.27780 43.34116 
1 1 1   15   19   15 o  177.215   14.159   43.481   6.4451   34.247   9.2541   52.180   8.9815  147.576   25.108  190.075   18.476 -42.49925 31.17274 
1 1 1   15   19   16 o   63.370   23.818   5.5858   5.3050   5.1540   7.7618   5.9643   7.2674   66.373   27.525   67.428   27.132 -1.054871 38.64959 
1 1 1   15   19   17 o   66.826   24.190   6.6993   5.3851  -8.0241   7.5348   22.073   7.6993   44.948   21.673  115.832   26.266 -70.88409 34.05277 
1 1 1   15   19   18 o   44.080   21.388  -9.0123   7.6334   0.0000   0.0000  -9.0123   7.6334  ?   ?    44.080   21.388 0.000000 21.38812 
1 1 1   15   19   19 o   64.962   24.830   6.2168   5.8245   2.9620   11.681   7.2938   6.7195   67.522   30.671   68.863   26.581 -1.341064 40.58627 
1 1 1   15   19   20 o   47.680   21.473  -0.4788   5.5824 -11.5400   12.000   2.5764   6.3064   53.605   26.188   56.144   24.115 -2.539391 35.60007 
1 1 1   15   19   21 o  112.437   22.388   20.228   6.2912   17.300   12.974   21.128   7.1935   87.926   35.931  111.839   25.409 -23.91251 44.00769 
1 1 1   15   19   22 o  119.757   20.949   22.514   6.2617   8.6610   13.041   26.665   7.1385   73.882   33.082  129.270   22.113 -55.38756 39.79205 
1 1 1   15   19   23 o  187.181   15.116   50.446   7.2665   51.910   15.096   50.004   8.2901  152.528   38.271  183.029   17.707 -30.50011 42.16911 
1 1 1   15   19   24 o   80.182   26.384   11.734   6.3460   16.080   13.216   10.431   7.2347   82.422   35.142   74.934   27.883 7.487473 44.85972 
1 1 1   15   19   25 o   63.501   24.976   6.5103   6.0218  -1.4950   11.974   9.2204   6.9669   59.406   28.287   71.070   27.158 -11.66368 39.21356 
1 1 1   15   19   26 o   75.067   26.552   10.669   6.4490   26.780   13.607   6.0013   7.3238   96.867   37.704   62.612   26.403 34.25483 46.02947 
1 1 1   15   19   27 o   58.928   24.762   5.0824   6.4049  -3.6330   13.428   7.6491   7.2872   57.953   28.177   65.423   26.854 -7.469753 38.92384 
1 1 1   15   19   28 o   38.405   18.790  -7.4754   6.2458   0.5553   13.580  -9.6300   7.0339   60.095   29.006   39.086   19.284 21.00880 34.83138 
1 1 1   15   20    0 o   87.366   30.995   12.550   8.7940   29.990   17.268   6.4420   10.218  117.983   43.223   74.751   31.337 43.23177 53.38762 
1 1 1   15   20    1 o   90.783   29.078   13.539   7.7370   19.910   13.342   10.310   9.4971  102.654   37.930   81.959   31.611 20.69440 49.37565 
1 1 1   15   20    2 o  110.905   28.347   20.058   8.1744   16.640   13.041   22.270   10.491   96.120   37.051  112.243   33.520 -16.12348 49.96347 
1 1 1   15   20    3 o  111.856   28.556   20.468   8.3023   14.290   13.364   24.350   10.595   91.648   36.823  117.761   33.265 -26.11244 49.62405 
1 1 1   15   20    4 o   76.779   28.210   8.8894   7.3628   14.670   12.533   5.8430   9.0983   92.116   36.093   71.728   29.778 20.38776 46.79155 
1 1 1   15   20    5 o  114.879   26.823   21.074   7.8370   23.950   12.823   19.360   9.9013  111.872   37.528  104.950   32.806 6.921494 49.84571 
1 1 1   15   20    6 o   46.533   21.813  -4.5423   6.6233  -3.5220   10.679  -5.1800   8.4431   60.737   28.214   52.264   24.540 8.473103 37.39364 
1 1 1   15   20    7 o   68.199   26.638   6.0949   6.8101   17.440   10.911  -1.1460   8.7165   98.224   34.558   58.464   26.532 39.75988 43.56895 
1 1 1   15   20    8 o   44.279   20.892  -5.0061   6.2515  -6.4190   11.090  -4.3480   7.5685   58.421   27.644   50.211   23.467 8.210369 36.26151 
1 1 1   15   20    9 o   70.053   25.573   7.1729   6.0371   9.8438   8.4899   4.4410   8.5864   79.369   30.063   67.414   28.517 11.95425 41.43708 
1 1 1   15   20   10 o   49.847   22.238  -0.5037   5.8351   12.921   8.4074 -12.9800   8.1051   87.341   30.358   42.891   21.071 44.45061 36.95435 
1 1 1   15   20   11 o  140.221   17.425   28.158   6.1927   30.977   9.0757   25.702   8.4710  139.535   26.069  126.153   26.753 13.38132 37.35346 
1 1 1   15   20   12 o  119.829   19.697   21.241   5.9012   25.488   8.5676   17.407   8.1399  124.759   27.273  100.536   29.398 24.22332 40.10038 
1 1 1   15   20   13 o   80.673   24.650   10.459   5.6261   16.498   8.1472   4.9547   7.7786   97.197   29.655   65.991   27.476 31.20640 40.42751 
1 1 1   15   20   14 o   66.616   24.691   6.5313   5.6623   14.147   7.9780  -1.1983   8.0376   89.725   29.585   55.249   25.229 34.47651 38.88159 
1 1 1   15   20   15 o   44.171   20.306  -2.1193   5.3260  -5.6455   7.7686   1.0078   7.3159   48.269   22.926   56.541   25.081 -8.272415 33.98030 
1 1 1   15   20   16 o  107.770   31.020   21.433   9.1272   6.4100   12.770   37.120   13.050   73.713   32.891  135.816   36.368 -62.10332 49.03524 
1 1 1   15   20   17 o   53.294   23.771   0.5625   6.6646   2.1516   7.8918  -3.3890   12.444   59.273   26.183   61.591   29.185 -2.318455 39.20823 
1 1 1   15   20   18 o   70.482   26.222   8.1403   6.3980   2.6020   11.617   10.551   7.6652   66.083   30.235   77.201   28.706 -11.11745 41.69159 
1 1 1   15   20   19 o  173.158   15.730   43.243   6.9783   52.410   14.838   40.640   7.9073  158.666   36.814  164.212   18.937 -5.545959 41.39896 
1 1 1   15   20   20 o   76.243   25.063   10.058   5.7272   9.3170   12.291   10.264   6.4728   74.130   32.714   76.032   26.626 -1.902626 42.17995 
1 1 1   15   20   21 o  119.181   21.604   22.751   6.4238   10.220   12.707   27.053   7.4452   74.696   33.098  128.268   23.265 -53.57216 40.45697 
1 1 1   15   20   22 o   51.416   22.727   1.3799   5.9561   17.900   12.358  -3.6187   6.7977   85.974   35.093   45.891   21.693 40.08359 41.25645 
1 1 1   15   20   23 o   68.322   25.138   8.1462   5.8499   25.150   12.304   3.1795   6.6496   99.327   36.470   56.328   24.478 42.99904 43.92339 
1 1 1   15   20   24 o   43.771   20.600  -2.8842   6.0085   1.9180   12.654  -4.2823   6.8273   62.758   29.645   44.631   21.281 18.12741 36.49252 
1 1 1   15   20   25 o   76.809   26.280   11.330   6.2899   29.250   13.762   6.5983   7.0717   99.209   38.109   63.142   26.236 36.06721 46.26684 
1 1 1   15   20   26 o   34.938   17.322 -10.0779   5.9279   8.5160   12.770 -15.1851   6.6927   67.479   31.172   33.945   17.063 33.53380 35.53676 
1 1 1   15   20   27 f   55.290   24.184   3.8698   6.5827  -1.2170   14.235   5.2535   7.4242   58.662   28.630   58.910   25.727 -0.2473030 38.49096 
1 1 1   15   21    0 o   51.003   23.341  -2.0936   6.9280   15.530   15.239  -6.6853   7.7783   91.961   38.388   47.838   22.784 44.12317 44.63977 
1 1 1   15   21    1 o   63.712   25.046   5.1010   6.0525   2.1872   9.1235   7.3912   8.0886   64.231   28.273   72.713   28.836 -8.482407 40.38405 
1 1 1   15   21    2 o   57.622   23.797   3.0811   5.7670 -10.3652   8.9965   12.461   7.5139   48.192   23.345   86.448   28.722 -38.25606 37.01230 
1 1 1   15   21    3 o   84.916   25.078   11.526   5.8973   7.4853   9.0212   14.541   7.7931   73.978   30.066   92.612   29.130 -18.63370 41.86290 
1 1 1   15   21    4 o  158.807   16.096   35.540   6.5298   23.675   10.015   44.315   8.6122  115.316   32.261  174.434   19.389 -59.11734 37.63879 
1 1 1   15   21    5 o   81.256   25.101   10.545   5.8160   14.001   8.9016   7.9708   7.6826   89.655   31.234   73.497   28.408 16.15810 42.22018 
1 1 1   15   21    6 f   73.461   25.541   8.3769   5.9512   11.370   8.8774   5.9339   8.0202   82.587   30.856   68.959   28.223 13.62814 41.81667 
1 1 1   15   21    7 f   79.750   24.978   10.173   5.7365   8.4210   8.6990   11.522   7.6309   75.243   29.883   83.020   28.919 -7.777321 41.58510 
1 1 1   15   21    8 o  176.865   14.983   43.719   6.7996   31.243   10.066   54.189   9.2216  135.913   29.444  193.272   18.652 -57.35896 34.85418 
1 1 1   15   21    9 o   85.574   24.592   11.813   5.7404   18.161   8.7666   7.0480   7.5950  100.910   30.756   70.471   27.944 30.43863 41.55448 
1 1 1   15   21   10 o   81.611   25.010   10.832   5.7869   8.9511   8.7181   12.313   7.7372   75.742   29.968   84.561   29.138 -8.819595 41.79899 
1 1 1   15   21   11 o  117.488   19.823   20.674   5.8181   8.1186   8.6623   30.994   7.8531   73.488   29.604  142.171   22.038 -68.68273 36.90604 
1 1 1   15   21   12 o  118.626   19.783   21.137   5.8647   29.167   8.5526   14.009   8.0575  133.962   25.580   88.474   29.747 45.48791 39.23327 
1 1 1   15   21   13 o   78.800   30.618   10.770   8.9607   12.790   12.013   8.2360   13.454   83.029   34.322   76.693   34.017 6.335831 48.32352 
1 1 1   15   21   14 o   84.430   31.580   13.420   9.3041   21.660   12.547   3.3540   13.868   99.039   36.746   70.601   32.569 28.43793 49.10186 
1 1 1   15   21   15 o   38.645   18.950  -9.7167   6.4613 -19.1107   7.6516   13.630   12.063   36.064   18.144   82.872   34.336 -46.80832 38.83519 
1 1 1   15   21   16 o   85.615   24.939   12.518   5.8680   16.397   8.5045   8.9921   8.1070   92.159   30.553   72.781   28.867 19.37794 42.03315 
1 1 1   15   21   17 o   49.176   21.746   0.7168   5.4579  -3.0759   8.2445   3.6757   7.2820   51.486   24.199   59.789   25.798 -8.303646 35.37155 
1 1 1   15   21   18 o   83.476   25.253   12.237   5.9261   4.0549   8.6520   19.467   8.1335   62.330   27.480  101.124   29.334 -38.79426 40.19518 
1 1 1   15   21   19 o   69.095   24.903   8.1805   5.6981 -25.9600   12.276   17.556   6.4331   44.768   22.580  100.727   24.817 -55.95841 33.55256 
1 1 1   15   21   20 o   80.118   25.984   11.736   6.1639   9.4980   13.332   12.345   6.9515   72.606   32.896   80.496   27.626 -7.890015 42.95744 
1 1 1   15   21   21 o  105.943   24.379   19.480   6.5511   12.430   13.756   21.548   7.4503   75.388   33.850  108.689   26.664 -33.30100 43.09098 
1 1 1   15   21   22 o   65.981   25.520   7.6155   6.2033 -13.8700   12.861   14.130   7.0816   51.149   25.385   84.630   27.872 -33.48134 37.69963 
1 1 1   15   21   23 o  122.985   22.023   25.245   6.7582  -2.8300   13.596   34.457   7.7884   58.924   28.580  144.786   21.413 -85.86230 35.71181 
1 1 1   15   21   24 o   68.540   25.944   8.9543   6.3200   33.170   13.028   1.5014   7.2274  108.093   37.778   52.939   24.077 55.15400 44.79816 
1 1 1   15   21   25 o   88.310   26.784   15.639   6.6605   22.650   14.042   13.604   7.5657   82.966   35.812   78.763   28.647 4.203545 45.86012 
1 1 1   15   21   26 o   73.741   26.598   11.438   6.5022   9.2220   13.840   12.066   7.3658   65.631   31.002   73.640   27.976 -8.008728 41.75885 
1 1 1   15   22    0 o   59.171   24.961   3.1687   6.5497   7.7962   8.9087  -2.2750   9.6625   73.247   29.835   58.124   26.944 15.12305 40.20092 
1 1 1   15   22    1 o   34.655   17.076  -9.8730   5.4555  -6.2608   8.2201 -12.7165   7.2933   49.253   23.448   39.727   19.607 9.526253 30.56558 
1 1 1   15   22    2 o   75.496   31.158   8.4773   9.8769   6.8330   14.321   9.9690   13.640   77.173   34.603   80.761   35.077 -3.588524 49.27238 
1 1 1   15   22    3 o   83.716   32.460   12.402   10.056   32.430   15.793  -1.2530   13.040  118.015   41.572   66.268   30.915 51.74628 51.80680 
1 1 1   15   22    4 o   69.768   30.383   5.0838   10.289   21.710   16.647  -5.1930   13.088   97.510   40.364   62.471   29.696 35.03912 50.11090 
1 1 1   15   22    5 o   66.477   29.370   3.4439   9.9340  -3.5890   15.332   8.5330   13.042   67.612   32.140   77.896   34.057 -10.28471 46.82832 
1 1 1   15   22    6 o   92.382   34.071   16.619   10.755   11.740   15.579   21.060   14.865   83.370   36.810   97.244   38.919 -13.87385 53.56866 
1 1 1   15   22    7 o   96.720   33.767   18.342   10.407   14.820   15.264   21.400   14.225   86.987   37.443   98.061   38.444 -11.07441 53.66497 
1 1 1   15   22    8 o   85.586   32.307   13.658   9.7836   21.440   13.578   5.2550   14.110   98.414   37.841   73.868   33.613 24.54572 50.61396 
1 1 1   15   22    9 o   42.800   21.186 -14.7878   8.7392 -16.3600   11.191 -12.3300   13.992   48.790   24.119   57.836   28.260 -9.045918 37.15327 
1 1 1   15   22   10 o   52.456   24.833  -4.7340   8.9692   11.670   11.833 -26.8900   13.751   80.389   33.712   49.017   24.614 31.37146 41.74144 
1 1 1   15   22   11 o   90.459   27.899   14.591   7.1878   14.216   8.5586   15.490   13.241   86.840   30.602   86.018   35.835 0.8226013 47.12320 
1 1 1   15   22   12 o   51.834   22.348   1.7601   5.4561   5.5112   7.7817  -1.8671   7.6521   65.001   27.303   51.900   24.030 13.10083 36.37163 
1 1 1   15   22   13 o   83.874   25.018   12.074   5.8467   5.1797   8.2726   18.954   8.2643   64.620   27.684  100.378   29.699 -35.75713 40.60073 
1 1 1   15   22   14 o   77.939   30.329   11.508   8.8030   11.508   8.8030   0.0000   0.0000   77.939   30.329  ?   ?  0.000000 30.32915 
1 1 1   15   22   15 o   40.800   19.460  -4.7321   5.7169 -10.7962   8.1289   1.2023   8.0416   43.024   21.130   56.552   25.592 -13.52773 33.18742 
1 1 1   15   22   16 o   77.911   25.908   10.927   6.1132   7.6462   9.0712   13.658   8.2743   68.639   29.186   82.650   29.975 -14.01077 41.83661 
1 1 1   15   22   17 o   62.535   24.775   6.1201   5.9657   6.1692   8.8540   6.0792   8.0735   65.255   28.301   64.357   27.454 0.8979950 39.42924 
1 1 1   15   22   18 o   72.838   25.253   9.5681   5.8155   13.382   8.4753   6.1744   7.9945   80.266   30.117   64.006   27.312 16.25996 40.65701 
1 1 1   15   22   19 o   71.759   25.148   9.3581   5.7746   4.3198   8.2148   14.280   8.1191   60.392   26.693   82.626   29.731 -22.23352 39.95616 
1 1 1   15   22   20 o   53.849   23.344   2.9524   6.0185   12.980   12.015  -0.4064   6.9538   74.954   32.732   49.974   23.057 24.97931 40.03733 
1 1 1   15   22   21 o   78.691   26.385   12.039   6.3387   23.350   12.729   8.3094   7.3093   90.176   36.041   66.839   27.099 23.33643 45.09283 
1 1 1   15   22   22 o   63.517   25.202   7.2123   6.1814   14.500   12.305   4.7525   7.1489   74.931   32.912   58.442   25.388 16.48893 41.56672 
1 1 1   15   22   23 o   75.098   26.131   11.329   6.2299   23.810   13.085   7.6705   7.0843   86.669   35.824   63.949   26.390 22.72004 44.49459 
1 1 1   15   22   24 o   58.817   24.849   5.8322   6.5062 -11.1500   13.747   10.734   7.3858   51.483   25.665   70.210   27.646 -18.72663 37.72221 
1 1 1   15   22   25 o   37.781   18.744 -10.0419   6.9857  -5.3090   12.529 -12.1771   8.4153   52.372   25.820   40.244   20.065 12.12761 32.69957 
1 1 1   15   23    0 o   70.417   27.172   7.8602   7.0197   2.8743   9.2737   14.550   10.742   63.257   28.141   85.973   33.490 -22.71641 43.74326 
1 1 1   15   23    1 o   88.324   25.727   13.261   6.2446   6.5112   9.0307   19.445   8.6443   69.210   29.260  102.396   30.392 -33.18608 42.18775 
1 1 1   15   23    2 o   53.083   22.689   2.0633   5.5340   7.9119   8.2507  -2.7199   7.4614   71.339   28.838   50.489   23.497 20.84969 37.19860 
1 1 1   15   23    3 o  125.095   20.280   23.889   6.3464   20.311   9.1851   27.158   8.7790  103.224   31.486  125.562   27.732 -22.33833 41.95776 
1 1 1   15   23    4 o   92.604   24.607   14.295   6.0031   7.0374   9.2223   19.632   7.9079   70.205   29.618  105.081   28.384 -34.87603 41.02279 
1 1 1   15   23    5 o   59.574   24.014   4.5199   5.7035   9.9276   8.4984   0.0882   7.6934   75.765   29.712   55.134   24.984 20.63071 38.81976 
1 1 1   15   23    6 o   35.267   17.343  -9.2204   5.5363 -23.1734   8.0917   3.0600   7.5912   35.323   17.877   59.915   26.095 -24.59113 31.63128 
1 1 1   15   23    7 o   87.162   25.021   12.929   5.9455   13.609   8.5869   12.302   8.2402   84.527   30.554   81.382   29.852 3.145325 42.71622 
1 1 1   15   23    8 o   69.001   24.859   7.7970   5.6778   9.5631   8.1600   6.1395   7.9052   74.116   29.099   66.197   27.642 7.919060 40.13500 
1 1 1   15   23    9 o  117.445   21.213   21.711   6.2158   19.055   8.7782   24.382   8.8028   98.756   30.893  114.978   29.432 -16.22206 42.66848 
1 1 1   15   23   10 o  125.945   19.670   24.416   6.2072   28.370   8.8263   20.546   8.7311  126.499   27.704  102.851   30.548 23.64822 41.23943 
1 1 1   15   23   11 o   53.551   22.850   2.6197   5.5956  -4.3045   8.2057   8.6381   7.6502   49.614   23.564   70.713   28.043 -21.09901 36.62892 
1 1 1   15   23   12 f   72.633   25.076   9.2103   5.7315   7.5213   7.8968   11.090   8.3319   67.808   27.908   76.113   29.538 -8.305283 40.63655 
1 1 1   15   23   13 o   35.153   17.288  -8.6836   5.5023  -1.9269   7.7860 -15.4244   7.7768   50.928   23.802   38.170   19.071 12.75830 30.49932 
1 1 1   15   23   14 o   76.424   26.475   10.836   6.3913   14.485   8.7210   6.6030   9.3937   83.031   30.669   66.187   28.922 16.84456 42.15514 
1 1 1   15   23   15 o   77.199   26.336   11.169   6.3163   3.6330   9.0742   18.252   8.7974   60.682   27.348   92.382   31.083 -31.69967 41.40149 
1 1 1   15   23   16 o   68.155   25.558   8.3725   6.1016   8.3787   8.8801   8.3669   8.3981   68.060   28.907   67.933   28.440 0.1266327 40.55146 
1 1 1   15   23   17 o   56.656   23.712   4.3528   5.8360   3.9952   8.5589   4.6636   7.9784   59.731   26.769   60.134   26.455 -0.4028740 37.63585 
1 1 1   15   23   18 o   40.876   19.449  -3.7152   5.6391 -13.7742   8.2753   5.0053   7.7050   40.079   19.969   60.057   26.219 -19.97768 32.95788 
1 1 1   15   23   19 o   74.930   25.763   10.875   6.0469   10.381   8.8314   11.311   8.2969   70.312   29.276   72.703   29.084 -2.391655 41.26689 
1 1 1   15   23   20 o   51.542   22.677   2.4758   5.8629   12.450   12.022  -0.6365   6.7156   71.494   31.905   48.112   22.358 23.38148 38.95932 
1 1 1   15   23   21 o   79.620   26.693   13.041   6.4876   11.440   12.933   13.580   7.4994   68.882   31.657   78.301   28.515 -9.418884 42.60635 
1 1 1   15   23   22 o   44.644   21.112  -2.0812   6.4493 -12.0300   13.326   0.9616   7.3699   50.251   25.085   50.986   23.598 -0.7351303 34.44028 
1 1 1   15   23   23 o   66.432   27.100   9.7043   7.3637   1.7590   14.060   12.707   8.6441   58.361   28.476   71.429   29.275 -13.06843 40.84014 
1 1 1   15   23   24 o   69.381   29.585   12.981   9.3684   16.840   13.990   9.8430   12.614   69.447   32.271   63.162   29.763 6.284763 43.90059 
1 1 1   15   24    0 o   69.307   26.760   8.0640   6.8116   0.7510   8.5968   20.400   11.165   57.266   26.127   95.132   34.771 -37.86583 43.49319 
1 1 1   15   24    1 o   70.881   27.094   8.6350   6.9350   12.901   8.6715   1.0640   11.552   81.180   30.463   62.883   29.255 18.29717 42.23609 
1 1 1   15   24    2 o  130.428   19.597   26.183   6.4162   25.194   9.0973   27.161   9.0507  115.268   30.131  121.475   29.138 -6.207008 41.91562 
1 1 1   15   24    3 o  129.425   19.548   25.790   6.3492   22.837   9.0039   28.710   8.9546  108.350   30.688  126.477   28.066 -18.12715 41.58666 
1 1 1   15   24    4 o  182.513   15.169   48.002   7.1065   49.818   10.023   46.166   10.078  175.936   22.508  167.310   23.936 8.625763 32.85665 
1 1 1   15   24    5 o   80.848   25.824   11.670   6.1056   8.7935   8.9772   14.145   8.3286   71.235   29.577   84.372   30.139 -13.13711 42.22699 
1 1 1   15   24    6 o   41.312   19.604  -4.0993   5.6563 -10.3639   7.9682   2.2636   8.0305   42.748   20.979   57.974   25.959 -15.22575 33.37677 
1 1 1   15   24    7 o   68.423   25.458   8.0231   6.0306   12.762   8.6694   3.5801   8.3942   79.676   30.331   60.594   26.873 19.08215 40.52346 
1 1 1   15   24    8 o   66.825   25.192   7.5713   5.9439   9.9072   8.5147   5.3510   8.3013   72.706   29.329   63.329   27.435 9.377716 40.16022 
1 1 1   15   24    9 o   43.875   20.446  -2.2320   5.6796  -7.5171   8.1619   2.7298   7.9083   45.539   22.101   57.890   25.853 -12.35155 34.01191 
1 1 1   15   24   10 o   69.808   25.440   8.7000   5.9705   4.8262   8.2869   12.881   8.6096   61.780   27.076   78.799   30.172 -17.01844 40.53932 
1 1 1   15   24   11 o   43.284   20.298  -2.6033   5.7461   0.7182   8.2421  -5.7444   8.0151   54.912   25.250   46.538   22.417 8.373951 33.76535 
1 1 1   15   24   12 o   38.110   18.466  -6.1248   5.6402  -1.0867   7.7178 -11.8997   8.2629   51.025   23.797   41.688   20.629 9.337257 31.49383 
1 1 1   15   24   13 o   31.590   15.836 -12.7609   5.5743  -8.7404   7.4538 -17.8625   8.3965   41.665   20.415   38.037   19.118 3.627972 27.96965 
1 1 1   15   24   14 o  115.243   22.992   22.782   6.6228   32.238   9.6034   14.205   9.1456  127.174   29.692   78.963   30.862 48.21082 42.82592 
1 1 1   15   24   15 o   46.668   21.538  -0.6774   6.0753  -7.1030   8.6330   5.6268   8.5511   46.058   22.438   61.594   27.229 -15.53569 35.28284 
1 1 1   15   24   16 o   76.760   26.411   11.742   6.3552   0.4620   8.7899   24.096   9.1991   54.074   25.278  103.646   31.487 -49.57195 40.37815 
1 1 1   15   24   17 o   98.960   25.541   18.526   6.5914   16.339   9.4711   20.579   9.1790   81.184   31.496   92.821   31.747 -11.63654 44.72029 
1 1 1   15   24   18 o   80.091   27.041   13.357   6.6585   2.6439   9.3141   24.556   9.5224   56.766   26.363  101.268   32.240 -44.50209 41.64630 
1 1 1   15   24   19 o  127.419   21.796   28.002   6.9353   25.669   9.7508   30.390   9.8662  101.803   32.647  114.583   32.008 -12.78001 45.72040 
1 1 1   15   24   20 o   82.359   28.846   15.723   7.5975   11.530   13.083   17.857   9.3324   66.905   31.129   81.981   31.408 -15.07549 44.22065 
1 1 1   15   24   21 o   58.734   26.689   5.8813   8.8565 -13.1200   13.912   18.830   11.484   49.477   24.833   76.801   32.752 -27.32364 41.10205 
1 1 1   15   24   22 o   53.715   25.253   2.6448   8.9862   0.2583   14.034   4.3030   11.699   55.840   27.490   57.420   27.509 -1.580307 38.89016 
1 1 1   15   25    0 o   85.630   28.039   14.426   7.1708  -0.9007   8.9980   41.100   11.871   54.346   25.459  140.142   33.209 -85.79576 41.84505 
1 1 1   15   25    1 o  159.013   20.093   40.071   8.0916   25.451   10.062   66.830   13.613  107.470   32.986  189.550   28.616 -82.08068 43.66856 
1 1 1   15   25    2 o   62.716   24.899   6.4047   6.0372   3.9348   8.5822   8.8243   8.4943   60.331   26.938   69.217   28.757 -8.885963 39.40351 
1 1 1   15   25    3 o   71.735   25.991   9.5062   6.2188   17.051   8.9814   2.5575   8.6192   88.114   31.316   58.182   26.396 29.93172 40.95716 
1 1 1   15   25    4 o   87.804   25.820   14.284   6.2635   20.374   9.0168   8.6044   8.7072   97.035   31.423   68.568   28.845 28.46648 42.65535 
1 1 1   15   25    5 o   70.303   25.474   9.0523   5.9741   13.830   8.5649   4.5255   8.3371   80.218   30.241   60.669   26.850 19.54850 40.44059 
1 1 1   15   25    6 o  147.711   18.181   33.713   6.8095   23.821   9.3252   45.013   9.9671  105.083   31.652  160.735   24.732 -55.65182 40.16899 
1 1 1   15   25    7 o   54.245   23.492   3.1281   6.0834   12.246   8.6748  -5.6952   8.5333   75.664   29.908   47.545   22.960 28.11814 37.70444 
1 1 1   15   25    8 o  100.420   32.579   23.124   9.6892   0.0000   0.0000   23.124   9.6892  ?   ?   100.420   32.579 0.000000 32.57949 
1 1 1   15   25    9 o   99.082   24.610   17.740   6.2878   26.129   9.0613   9.9479   8.7323  111.905   30.449   69.948   29.117 41.95632 42.13008 
1 1 1   15   25   10 o   51.706   22.913   2.1336   6.0910   0.7875   8.5715   3.5067   8.6571   54.403   25.274   58.317   26.456 -3.914619 36.58821 
1 1 1   15   25   11 o   61.634   24.665   6.5677   5.9696   3.0859   8.5910   9.8185   8.3011   57.334   26.143   69.080   28.542 -11.74617 38.70496 
1 1 1   15   25   12 o   72.568   25.858   10.387   6.1270   30.175   8.8926  -7.4976   8.4539  123.385   28.411   44.897   21.944 78.48788 35.89892 
1 1 1   15   25   13 o   63.790   25.226   7.5701   6.1738  -2.6318   8.5584   18.639   8.9147   49.615   23.704   88.221   31.216 -38.60678 39.19635 
1 1 1   15   25   14 o   58.361   24.443   5.5594   6.2071   10.575   8.7183   0.4030   8.8394   69.089   28.954   53.300   25.053 15.78948 38.28817 
1 1 1   15   25   15 o   47.045   21.657   0.0936   6.0862  -7.0010   8.7647   6.7004   8.4580   45.482   22.254   61.508   27.141 -16.02611 35.09824 
1 1 1   15   25   16 o   48.171   22.029   0.8143   6.1567  -2.3645   8.6772   4.0370   8.7369   49.335   23.650   57.149   26.174 -7.813240 35.27633 
1 1 1   15   25   17 o   46.493   21.400   0.2859   5.9400  -7.8059   8.7268   7.2713   8.1082   44.214   21.749   61.397   26.848 -17.18345 34.55227 
1 1 1   15   25   18 o  113.928   27.128   26.550   7.8909   30.230   13.555   24.663   9.7049   89.808   36.717   95.981   32.645 -6.173149 49.13063 
1 1 1   15   25   19 o   49.143   23.459  -0.7844   8.3469 -13.7500   12.277   10.360   11.382   46.379   23.285   63.871   29.479 -17.49229 37.56599 
1 1 1   15   25   20 o   69.692   27.928   12.284   7.6658   17.296   9.6681   3.7990   12.580   75.606   30.971   56.754   27.519 18.85180 41.43061 
1 1 1   15   25   21 o   35.283   17.566  -9.5267   6.3549 -24.2700   13.279  -5.1468   7.2376   42.566   21.679   41.466   20.275 1.099998 29.68262 
1 1 1   15   26    0 o   91.165   26.460   16.285   6.6163   16.569   9.2277   15.984   9.4915   82.732   31.341   80.740   31.472 1.992226 44.41587 
1 1 1   15   26    1 o   68.502   26.518   9.2554   6.7024   6.8821   8.5581   13.020   10.779   63.135   27.596   73.174   31.480 -10.03816 41.86374 
1 1 1   15   26    2 o   96.046   27.558   18.542   7.2136   5.1462   9.2067   39.840   11.609   60.749   27.447  132.044   33.799 -71.29517 43.53952 
1 1 1   15   26    3 o   97.817   25.622   18.119   6.5693   12.630   9.1718   23.901   9.4138   73.840   30.197  101.353   32.033 -27.51283 44.02244 
1 1 1   15   26    4 o   47.406   21.702   0.1398   5.9971  -7.9686   8.6618   7.6056   8.3115   44.964   22.027   64.144   27.620 -19.17937 35.32729 
1 1 1   15   26    5 o  122.399   22.255   25.746   6.7960   16.779   9.5900   34.793   9.6320   81.751   31.699  131.470   29.057 -49.71883 43.00210 
1 1 1   15   26    6 o   72.903   26.364   10.796   6.3945   2.6775   9.1691   18.484   8.9222   56.849   26.315   87.672   31.207 -30.82240 40.82150 
1 1 1   15   26    7 o   52.806   23.388   2.8559   6.3376  -3.8123   8.9357   9.6055   8.9901   49.029   23.631   67.239   28.834 -18.21005 37.27996 
1 1 1   15   26    8 o   87.585   26.545   15.507   6.5437   23.633   9.5569   8.3361   8.9784   98.089   32.382   64.716   28.277 33.37337 42.99076 
1 1 1   15   26    9 o   59.174   24.447   6.0388   6.0898   7.8250   8.6307   4.2677   8.5941   63.521   27.740   57.779   26.269 5.741848 38.20455 
1 1 1   15   26   10 o  114.198   23.624   23.623   6.7575   21.822   9.2249   25.709   9.9267   93.657   31.828  100.640   32.992 -6.982574 45.84213 
1 1 1   15   26   11 o   72.229   26.030   10.881   6.2258   12.110   8.8208   9.6606   8.7885   70.865   29.362   66.130   28.438 4.734436 40.87559 
1 1 1   15   26   12 o   42.267   20.077  -2.6262   5.9602 -13.4057   8.3426   8.6115   8.5180   39.359   19.678   63.944   27.746 -24.58532 34.01553 
1 1 1   15   26   13 o   43.265   20.431  -1.8734   6.0014   1.8312   8.4397  -5.6628   8.5357   53.198   24.835   45.444   22.177 7.753738 33.29541 
1 1 1   15   26   14 o   43.928   21.178  -3.7634   7.1886  -5.2470   12.322  -2.9979   8.8510   51.712   25.516   48.257   23.323 3.455173 34.56871 
1 1 1   15   26   15 o   53.428   25.148   2.0988   8.9595   6.1370   12.967  -1.5900   12.394   60.044   28.817   53.776   26.344 6.268070 39.04421 
1 1 1   15   26   16 o   68.969   29.431   13.016   9.2845   9.4850   13.303   16.370   12.964   62.182   29.665   69.211   31.767 -7.029274 43.46447 
1 1 1   15   26   17 o   73.129   28.383   13.801   7.6936   23.007   9.5698  -3.0240   12.937   88.625   32.221   52.204   25.830 36.42161 41.29635 
1 1 1   15   26   18 o   52.151   23.326   4.1011   6.4647   12.102   8.8569  -5.0218   9.4576   65.957   28.456   45.985   22.625 19.97202 36.35394 
1 1 1   15   26   19 o   73.620   27.247   13.785   6.8903   12.243   9.7357   15.332   9.7530   63.872   28.593   68.771   29.764 -4.898342 41.27322 
1 1 1   15   27    0 o   57.950   25.150   5.7002   7.0014   9.3370   10.665   2.9460   9.2813   64.414   29.277   55.670   26.008 8.743504 39.16045 
1 1 1   15   27    1 o   51.755   23.759   1.9746   7.2560   3.4090   10.732   0.7669   9.8476   57.517   27.210   53.904   25.663 3.612797 37.40253 
1 1 1   15   27    2 o   55.612   25.345   3.8381   8.0626   7.0860   11.336   0.5133   11.470   61.750   28.813   55.459   26.740 6.290947 39.30920 
1 1 1   15   27    3 o   47.444   22.400  -1.0158   7.2080   6.5790   11.852  -5.4738   9.0803   61.297   28.874   46.773   22.836 14.52382 36.81252 
1 1 1   15   27    4 o  112.107   27.143   25.584   7.7980   24.200   13.155   26.334   9.6826   82.220   35.058  101.530   32.530 -19.31065 47.82530 
1 1 1   15   27    5 o   50.567   23.268   1.5791   7.0160  -0.8873   11.701   2.9636   8.7667   54.311   26.382   54.923   25.530 -0.6124916 36.71221 
1 1 1   15   27    6 o   49.362   22.982   0.6589   7.1497  -8.7820   11.612   6.4239   9.0738   48.622   24.130   59.731   27.093 -11.10877 36.28038 
1 1 1   15   27    7 o   73.896   28.094   12.955   7.4316   21.270   12.657   8.5812   9.1805   77.993   33.832   62.807   27.966 15.18616 43.89400 
1 1 1   15   27    8 o   49.746   23.199   0.8718   7.3336   11.320   12.061  -5.2575   9.2375   65.396   30.240   46.814   22.893 18.58254 37.92821 
1 1 1   15   27    9 o   52.036   23.886   2.5676   7.3321   17.950   11.972  -6.6647   9.2750   73.597   32.392   45.632   22.442 27.96556 39.40675 
1 1 1   15   27   10 o   40.669   20.106  -8.5822   7.7823 -14.6100   11.192  -2.9390   10.829   44.137   22.169   50.797   24.830 -6.660030 33.28652 
1 1 1   15   27   11 o   52.744   24.417   2.8834   7.8961  -4.7980   11.700   9.3090   10.701   50.336   24.841   62.294   28.691 -11.95891 37.95094 
1 1 1   15   27   12 o   51.653   23.596   3.0207   7.0399   4.0581   8.8993   1.2860   11.508   54.901   25.587   54.197   26.289 0.7039299 36.68545 
1 1 1   15   27   13 f   43.020   20.775  -3.2792   6.9880  -6.5577   8.7201   2.6050   11.682   43.813   21.588   54.928   26.606 -11.11562 34.26317 
1 1 1   15   27   14 o   58.946   24.970   7.4255   6.5979   2.6745   9.1279   12.624   9.5480   52.592   24.942   65.961   28.982 -13.36888 38.23653 
1 1 1   15   27   15 o   84.687   27.664   17.370   6.9817   15.266   9.6994   19.632   10.058   69.252   29.828   76.311   31.462 -7.059715 43.35390 
1 1 1   15   27   16 o   39.405   19.321  -5.3824   6.7091  -5.9857   9.3380  -4.7387   9.6456   44.309   21.927   45.674   22.543 -1.364151 31.44850 
1 1 1   15   27   17 o   57.644   25.118   7.8798   7.0410   19.207   9.8369  -4.0205   10.083   73.470   30.770   46.232   22.862 27.23832 38.33376 
1 1 1   15   27   18 o   35.211   17.634 -10.2604   6.8319  -7.9651   9.9872 -12.2791   9.3662   43.035   21.518   39.625   19.952 3.410492 29.34492 
1 1 1   15   28    0 o   52.136   23.182   3.9496   6.2856   2.7018   8.9921   5.1418   8.7897   52.997   25.021   55.855   25.823 -2.857906 35.95652 
1 1 1   15   28    1 o   49.336   22.739   1.9693   6.7375   1.2132   9.6963   2.6752   9.3688   52.147   24.999   53.336   25.287 -1.188957 35.55801 
1 1 1   15   28    2 o   58.564   25.852   7.0866   7.6802   10.235   9.9004   2.3290   12.171   62.823   28.416   55.090   26.794 7.733120 39.05606 
1 1 1   15   28    3 o  120.851   26.766   30.485   8.1580   25.835   10.291   38.350   13.383   91.291   33.380  100.026   37.779 -8.735481 50.41287 
1 1 1   15   28    4 o   30.716   15.554 -15.7258   6.1807 -14.7292   8.8135 -16.6902   8.6700   38.680   19.461   37.298   18.832 1.381901 27.08119 
1 1 1   15   28    5 o   42.773   20.300  -1.5520   6.0686   0.4196   8.6762  -3.4405   8.4915   49.964   23.870   45.888   22.333 4.076275 32.68825 
1 1 1   15   28    6 o   48.504   22.404   1.7291   6.5929   0.8243   9.1707   2.6969   9.4848   50.878   24.369   53.123   25.261 -2.245285 35.09936 
1 1 1   15   28    7 o   61.974   25.757   8.8174   6.8178   1.1979   9.4573   17.062   9.8375   51.410   24.657   73.230   30.726 -21.81999 39.39577 
1 1 1   15   28    8 o   88.143   27.313   18.030   6.8799   26.208   9.8733   10.310   9.5922   92.934   32.855   62.120   28.046 30.81462 43.19767 
1 1 1   15   28    9 o   41.710   20.047  -2.5977   6.3267  -2.1474   9.1061  -3.0179   8.7964   47.474   23.110   46.248   22.557 1.226128 32.29320 
1 1 1   15   28   10 o   51.226   23.066   3.9180   6.4386   3.7897   9.4217   4.0305   8.8193   53.280   25.289   53.171   25.003 0.1083870 35.56249 
1 1 1   15   28   11 o   42.592   20.472  -2.0855   6.5986  -4.9538   9.1790   0.9823   9.4927   44.834   22.103   50.183   24.229 -5.349136 32.79612 
1 1 1   15   28   12 o   38.138   18.732  -5.6733   6.3937  -3.3655   8.9595  -8.0683   9.1270   45.418   22.280   42.297   21.057 3.121395 30.65647 
1 1 1   15   28   13 o   66.783   26.562   11.905   6.8820   8.3194   9.5213   15.828   9.9587   57.029   26.541   67.003   29.514 -9.973915 39.69316 
1 1 1   15   28   14 o   66.599   26.435   12.047   6.8038   12.265   9.3722   11.803   9.8930   61.664   27.792   60.409   27.735 1.254414 39.26370 
1 1 1   15   28   15 o   74.303   27.619   15.695   7.0948   15.290   9.8520   16.133   10.225   64.287   28.772   64.746   29.119 -0.4590454 40.93583 
1 1 1   15   28   16 o   42.134   20.820  -4.1653   8.3088 -15.7400   13.965   2.1779   10.338   43.488   22.156   49.076   24.046 -5.588440 32.69729 
1 1 1   15   29    0 o   60.772   28.585   12.273   11.541   32.970   16.447  -7.8070   16.200   72.874   34.228   49.942   25.278 22.93155 42.55085 
1 1 1   15   29    1 o   56.242   25.793   7.2996   8.5228  -0.4385   15.029   10.968   10.348   52.301   26.187   60.197   27.897 -7.895947 38.26261 
1 1 1   15   29    2 o   43.365   21.601  -7.5736   9.6595   19.950   15.597 -24.7000   12.303   63.911   30.905   39.962   20.399 23.94815 37.03021 
1 1 1   15   29    3 o   64.766   30.389   17.600   12.909   0.0000   0.0000   17.600   12.909  ?   ?    64.766   30.389 0.000000 30.38939 
1 1 1   15   29    4 o   85.027   28.419   18.991   7.3537   10.088   10.477   27.636   10.324   58.869   27.544   88.770   33.254 -29.90057 43.17976 
1 1 1   15   29    5 o   48.460   22.421   2.7303   6.6445 -10.5560   9.4236   15.866   9.3701   41.018   20.566   68.411   29.389 -27.39301 35.87070 
1 1 1   15   29    6 o   52.443   23.370   5.2692   6.4253   12.780   9.2012  -1.8786   8.9764   63.266   28.093   46.150   22.568 17.11655 36.03523 
1 1 1   15   29    7 o   29.160   14.862 -18.4149   6.3302  -8.2807   9.1305 -27.7944   8.7840   41.623   20.776   32.002   16.404 9.621185 26.47099 
1 1 1   15   29    8 o   65.039   28.950   15.158   9.8300   15.158   9.8300   0.0000   0.0000   65.039   28.950  ?   ?  0.000000 28.95047 
1 1 1   15   29    9 f   54.678   24.368   6.9398   6.9869   1.8679   9.5748   12.717   10.218   49.261   23.914   60.555   27.943 -11.29412 36.77860 
1 1 1   15   29   10 o   59.242   25.412   9.5219   6.9868   4.5264   9.6596   15.003   10.118   51.341   24.700   63.076   28.610 -11.73516 37.79754 
1 1 1   15   29   11 o   55.687   25.497   8.5804   8.2813   27.860   14.340  -1.0671   10.144   67.825   31.890   46.692   23.060 21.13311 39.35404 
1 1 1   15   29   12 o   42.137   20.740  -3.1737   7.9746   6.8610   13.560  -8.4792   9.8599   52.433   26.030   41.438   20.813 10.99451 33.32792 
1 1 1   15   29   13 o   37.864   19.186 -13.8884   9.4986 -14.6800   12.835 -12.9300   14.123   41.982   21.375   43.752   22.290 -1.769928 30.88307 
1 1 1   15   30    0 o   50.661   23.229   5.3973   6.9077   9.6582   9.5712   0.7653   9.9793   55.413   26.054   47.300   23.266 8.113468 34.93016 
1 1 1   15   30    1 o   38.108   18.857  -5.5807   6.9002  -9.9224   9.8285  -1.3609   9.6896   40.571   20.430   45.543   22.500 -4.972004 30.39172 
1 1 1   15   30    2 o   39.620   19.609  -5.1412   7.4767 -12.2726   9.3230   7.7110   12.516   38.567   19.480   52.810   25.991 -14.24352 32.48099 
1 1 1   15   30    3 o   39.436   19.536  -5.3435   7.4832  -5.4861   9.3546  -5.0900   12.471   42.338   21.116   45.733   23.028 -3.395412 31.24352 
1 1 1   15   30    4 o   40.355   20.079  -5.8688   8.2505  -9.9293   9.4927   6.6710   16.682   39.925   20.102   51.957   26.221 -12.03261 33.03957 
1 1 1   15   30    5 o   46.550   22.591   1.5627   8.5277  -6.5018   9.9901   23.220   16.371   42.358   21.229   59.318   29.295 -16.96029 36.17847 
1 1 1   15   30    6 o   46.318   22.421   1.7344   8.2628   7.1606   9.7042 -12.5700   15.756   52.006   24.952   44.941   22.952 7.064590 33.90226 
1 1 1   15   30    7 o   41.714   20.614  -3.2239   8.1509  -7.6493   9.4086   10.090   16.319   40.623   20.393   52.418   26.387 -11.79581 33.34941 
1 1 1   15   30    8 o   58.979   26.568   12.659   8.5524   15.915   10.148   4.6820   15.887   60.369   27.853   49.921   25.240 10.44775 37.58789 
1 1 1   15   30    9 o   38.665   19.327  -6.6601   8.0322  -7.0415   9.3997  -5.6280   15.464   40.483   20.332   45.895   23.376 -5.411961 30.98130 
1 1 1   15   30   10 o   40.268   19.697  -1.7626   6.8521   16.576   9.8245 -19.1327   9.5615   60.475   27.719   35.080   17.912 25.39539 33.00303 
1 1 1   15   31    0 o   43.277   20.754   1.9988   6.6973  -3.5714   9.7104   7.0524   9.2491   41.650   20.883   49.055   23.740 -7.404911 31.61780 
1 1 1   15   31    1 o   45.902   21.763   4.0416   6.9405   2.2868   9.8006   5.8071   9.8303   45.348   22.445   47.926   23.475 -2.578873 32.47871 
1 1 1   15   31    2 o   63.708   26.724   15.181   7.4391   10.279   10.330   20.462   10.722   51.343   24.905   60.895   28.282 -9.551205 37.68478 
1 1 1   15   31    3 o   44.360   21.605   2.2857   7.9910 -10.0236   10.139   22.470   12.983   38.854   19.702   57.773   28.000 -18.91928 34.23692 
1 1 1   15   31    4 o   53.136   24.502   10.006   7.8356  -3.3471   9.7324   34.610   13.211   41.583   20.857   67.761   31.444 -26.17842 37.73247 
1 1 1   15   31    5 o   39.476   19.433  -1.7952   7.0100   6.3936   9.9881  -9.7443   9.8408   47.828   23.475   38.393   19.462 9.435566 30.49353 
1 1 1   15   31    6 f   43.678   21.104   2.5524   7.2339   4.9581   10.065  -0.0185   10.404   46.504   22.967   43.518   21.790 2.985970 31.65873 
1 1 1   16    0    0 o  109.183   15.942   16.586   4.2278   16.586   4.2278   16.586   4.2278  109.183   15.942  109.183   15.942 0.000000 0.000000 
1 1 1   16    0    1 o  171.559   12.270   39.011   5.3887   39.011   5.3887   39.011   5.3887  171.559   12.270  171.559   12.270 0.000000 0.000000 
1 1 1   16    0    2 o   31.372   17.490   1.7703   2.1142   1.7703   2.1142   1.7703   2.1142   31.372   17.490   31.372   17.490 0.000000 0.000000 
1 1 1   16    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   10 o   53.821   24.404   5.6350   3.6725   5.6350   3.6725   5.6350   3.6725   53.821   24.404   53.821   24.404 0.000000 0.000000 
1 1 1   16    0   11 o  153.714   12.514   31.570   4.9068   31.570   4.9068   31.570   4.9068  153.714   12.514  153.714   12.514 0.000000 0.000000 
1 1 1   16    0   12 o   29.136   18.906  -0.0521   3.3992  -0.0521   3.3992  -0.0521   3.3992   29.136   18.906   29.136   18.906 0.000000 0.000000 
1 1 1   16    0   13 o   43.159   23.869   3.5650   3.9026   3.5650   3.9026   3.5650   3.9026   43.159   23.869   43.159   23.869 0.000000 0.000000 
1 1 1   16    0   14 o  221.368   12.687   65.047   7.2199   65.047   7.2199   65.047   7.2199  221.368   12.687  221.368   12.687 0.000000 0.000000 
1 1 1   16    0   15 o   92.303   24.055   13.532   4.9698   13.532   4.9698   13.532   4.9698   92.303   24.055   92.303   24.055 0.000000 0.000000 
1 1 1   16    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   17 o   31.485   20.977  -1.0265   4.6309  -1.0265   4.6309  -1.0265   4.6309   31.485   20.977   31.485   20.977 0.000000 0.000000 
1 1 1   16    0   18 o  160.166   16.523   35.341   6.6880   35.341   6.6880   35.341   6.6880  160.166   16.523  160.166   16.523 0.000000 0.000000 
1 1 1   16    0   19 f   30.747   20.720  -1.5955   4.7570  -1.5955   4.7570  -1.5955   4.7570   30.747   20.720   30.747   20.720 0.000000 0.000000 
1 1 1   16    0   20 o   32.331   21.572  -1.0265   4.9285  -1.0265   4.9285  -1.0265   4.9285   32.331   21.572   32.331   21.572 0.000000 0.000000 
1 1 1   16    0   21 f  132.719   20.851   25.716   6.6398   25.716   6.6398   25.716   6.6398  132.719   20.851  132.719   20.851 0.000000 0.000000 
1 1 1   16    0   22 o  166.903   18.806   39.369   7.8647   39.369   7.8647   39.369   7.8647  166.903   18.806  166.903   18.806 0.000000 0.000000 
1 1 1   16    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   24 o   76.588   30.062   11.652   5.7151   11.652   5.7151   11.652   5.7151   76.588   30.062   76.588   30.062 0.000000 0.000000 
1 1 1   16    0   25 o   38.362   24.875   1.0393   5.8714   1.0393   5.8714   1.0393   5.8714   38.362   24.875   38.362   24.875 0.000000 0.000000 
1 1 1   16    0   26 f   30.251   21.939 -15.4300   9.3751 -15.4300   9.3751 -15.4300   9.3751   30.251   21.939   30.251   21.939 0.000000 0.000000 
1 1 1   16    0   27 o   31.013   21.592  -3.9036   6.2079  -3.9036   6.2079  -3.9036   6.2079   31.013   21.592   31.013   21.592 0.000000 0.000000 
1 1 1   16    0   28 o   60.902   32.117   9.3907   6.7499   9.3907   6.7499   9.3907   6.7499   60.902   32.117   60.902   32.117 0.000000 0.000000 
1 1 1   16    0   29 o   98.320   33.274   19.547   7.5852   19.547   7.5852   19.547   7.5852   98.320   33.274   98.320   33.274 0.000000 0.000000 
1 1 1   16    0   30 o   38.083   25.671   0.0402   7.3108   0.0402   7.3108   0.0402   7.3108   38.083   25.671   38.083   25.671 0.000000 0.000000 
1 1 1   16    0   31 f   42.770   27.993   2.9740   7.6861   2.9740   7.6861   2.9740   7.6861   42.770   27.993   42.770   27.993 0.000000 0.000000 
1 1 1   16    0   32 o   94.350   36.660   21.375   8.5337   21.375   8.5337   21.375   8.5337   94.350   36.660   94.350   36.660 0.000000 0.000000 
1 1 1   16    0   33 o   26.971   19.466  -8.8267   6.9415  -8.8267   6.9415  -8.8267   6.9415   26.971   19.466   26.971   19.466 0.000000 0.000000 
1 1 1   16    1    0 o  166.674   12.413   36.662   5.3208   0.0000   0.0000   36.662   5.3208  ?   ?   166.674   12.413 0.000000 12.41319 
1 1 1   16    1    1 o  375.935   11.688  185.253   11.381  168.200   16.372  201.200   15.832  354.983   17.862  389.925   15.675 -34.94162 23.76487 
1 1 1   16    1    2 o  182.288   12.448   43.824   5.8426   42.520   9.3811   44.650   7.4677  176.706   20.900  182.978   15.914 -6.271912 26.26920 
1 1 1   16    1    3 o  103.143   14.866   14.322   3.8571   23.890   7.0905   10.300   4.5967  131.599   21.546   85.866   20.871 45.73228 29.99714 
1 1 1   16    1    4 o   64.079   15.366   5.6442   2.5175   0.0000   0.0000   5.6442   2.5175  ?   ?    64.079   15.366 0.000000 15.36555 
1 1 1   16    1    5 o  125.756   11.198   20.878   3.6094   0.0000   0.0000   20.878   3.6094  ?   ?   125.756   11.198 0.000000 11.19765 
1 1 1   16    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1    7 o  101.572   12.338   13.749   3.1794   0.0000   0.0000   13.749   3.1794  ?   ?   101.572   12.338 0.000000 12.33783 
1 1 1   16    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1    9 o  229.602   11.017   69.138   6.5522   0.0000   0.0000   69.138   6.5522  ?   ?   229.602   11.017 0.000000 11.01688 
1 1 1   16    1   10 o   85.028   16.621   9.9493   3.5294   0.0000   0.0000   9.9493   3.5294  ?   ?    85.028   16.621 0.000000 16.62067 
1 1 1   16    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   12 o  189.846   8.5776   47.087   4.2181   48.100   5.7160   45.875   6.2503  190.854   11.618  185.900   13.063 4.954086 17.48149 
1 1 1   16    1   13 o  139.118   10.246   25.526   3.6663   29.457   5.1007   21.325   5.2733  148.594   13.396  125.178   16.678 23.41541 21.39202 
1 1 1   16    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   15 o   64.844   19.824   5.8010   3.6382   7.7370   4.4727   2.0150   6.2547   74.046   21.832   59.415   24.680 14.63116 32.95052 
1 1 1   16    1   16 o  126.437   12.290   21.344   3.9742   22.648   5.5987   20.020   5.6423  128.490   17.258  120.089   18.752 8.401627 25.48434 
1 1 1   16    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   18 o  106.340   14.972   15.431   4.0098   9.0789   5.7616   21.397   5.5839   79.492   25.054  124.343   17.848 -44.85153 30.76121 
1 1 1   16    1   19 o   35.033   16.239  -2.6853   3.5087  -1.9979   4.9747  -3.3658   4.9495   44.650   20.174   41.949   19.389 2.700722 27.98054 
1 1 1   16    1   20 o  100.005   16.762   13.896   4.1885   14.658   6.0200   13.181   5.8313   99.867   23.638   94.576   23.817 5.291489 33.55633 
1 1 1   16    1   21 o  133.699   13.830   24.188   4.7203   33.792   6.6641   14.517   6.6870  156.846   16.658   98.193   25.913 58.65240 30.80508 
1 1 1   16    1   22 o   58.394   21.618   4.0976   4.3381  -1.0286   6.0105   9.6717   6.2676   50.945   22.660   80.951   26.197 -30.00515 34.63711 
1 1 1   16    1   23 f  146.647   13.427   29.100   5.0437   43.880   10.379   24.531   5.7710  173.214   23.758  132.742   17.187 40.47186 29.32333 
1 1 1   16    1   24 o  179.529   12.300   43.321   5.6854   43.310   11.457   43.325   6.5486  168.482   27.178  178.415   14.290 -9.933563 30.70568 
1 1 1   16    1   25 o  157.550   18.851   35.228   7.5405   36.400   11.181   34.250   10.212  151.201   29.607  148.403   27.582 2.798050 40.46446 
1 1 1   16    1   26 o  207.890   16.896   60.373   9.0196   48.350   12.326   74.230   13.233  175.356   28.085  223.788   23.164 -48.43269 36.40511 
1 1 1   16    1   27 o   89.513   22.166   12.174   5.1125   25.556   7.4345   0.1692   7.0418  130.271   22.866   55.754   24.675 74.51689 33.64127 
1 1 1   16    1   28 o   86.106   23.165   11.498   5.2798   18.906   7.7831   5.1828   7.1861  107.370   27.775   66.379   26.885 40.99081 38.65545 
1 1 1   16    1   29 o   92.763   23.243   13.434   5.5735   12.922   8.0865   13.898   7.6925   87.296   29.799   90.644   28.990 -3.347626 41.57365 
1 1 1   16    1   30 o  153.098   15.876   33.110   6.2045   33.100   8.8876   33.119   8.6656  145.371   24.472  146.180   23.697 -0.8090820 34.06474 
1 1 1   16    1   31 o  252.453   17.090   91.216   11.110   91.216   11.110   0.0000   0.0000  252.453   17.090  ?   ?  0.000000 17.08953 
1 1 1   16    1   32 o  144.327   17.504   30.350   6.4100   22.357   9.1141   38.174   9.0168  110.725   30.705  156.225   22.967 -45.50044 38.34478 
1 1 1   16    1   33 o   63.037   24.152   5.8200   5.5189   11.576   7.7157  -0.2100   7.8973   80.236   28.969   55.184   25.125 25.05199 38.34644 
1 1 1   16    2    0 o   43.201   17.208   1.3412   2.8922   2.2730   8.0937   1.2049   3.0966   67.348   28.033   43.797   17.680 23.55118 33.14285 
1 1 1   16    2    1 o  136.050   16.090   24.843   5.5604   17.690   8.9135   29.400   7.1145  110.521   30.252  147.171   19.114 -36.65099 35.78475 
1 1 1   16    2    2 o  337.228   12.007  149.200   10.488  139.700   15.410  157.400   14.316  323.009   18.494  344.644   16.036 -21.63528 24.47872 
1 1 1   16    2    3 o  252.322   12.182   83.570   7.9622   83.180   12.077   83.870   10.589  248.779   18.882  250.936   16.381 -2.157059 24.99764 
1 1 1   16    2    4 o  103.684   18.082   14.720   4.6797   17.040   7.7531   13.390   5.8694  108.940   27.478   97.381   23.531 11.55837 36.17677 
1 1 1   16    2    5 o  120.744   13.268   19.412   4.0815   0.0000   0.0000   19.412   4.0815  ?   ?   120.744   13.268 0.000000 13.26847 
1 1 1   16    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2    7 o  310.819   11.124  126.646   8.9561   0.0000   0.0000  126.646   8.9561  ?   ?   310.819   11.124 0.000000 11.12402 
1 1 1   16    2    8 o  330.528   11.330  143.337   9.7003   0.0000   0.0000  143.337   9.7003  ?   ?   330.528   11.330 0.000000 11.32991 
1 1 1   16    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   10 o  124.919   14.819   20.962   4.7017   0.0000   0.0000   20.962   4.7017  ?   ?   124.919   14.819 0.000000 14.81919 
1 1 1   16    2   11 o  197.214   12.653   51.494   6.4299   0.0000   0.0000   51.494   6.4299  ?   ?   197.214   12.653 0.000000 12.65350 
1 1 1   16    2   12 o  254.002   12.176   85.047   8.0109   0.0000   0.0000   85.047   8.0109  ?   ?   254.002   12.176 0.000000 12.17575 
1 1 1   16    2   13 f  124.721   10.474   20.563   3.3525   19.874   4.3786   21.540   5.2117  121.584   14.169  125.904   16.367 -4.320305 21.64820 
1 1 1   16    2   14 o  193.343   12.576   49.627   6.2641   49.627   6.2641   0.0000   0.0000  193.343   12.576  ?   ?  0.000000 12.57615 
1 1 1   16    2   15 f   82.753   16.308   9.4877   3.3715   10.470   4.7025   8.4483   4.8363   85.633   21.291   77.116   22.692 8.517075 31.11635 
1 1 1   16    2   16 o   37.002   17.210  -3.2509   3.9939  -3.2509   3.9939   0.0000   0.0000   37.002   17.210  ?   ?  0.000000 17.21039 
1 1 1   16    2   17 o   98.100   15.236   13.177   3.7460   8.2296   5.1291   18.833   5.4839   76.083   23.584  116.200   18.866 -40.11742 30.20176 
1 1 1   16    2   18 o   67.704   19.773   6.4610   3.6843   6.4293   5.1960   6.4930   5.2248   69.217   23.877   69.492   23.945 -0.2751389 33.81518 
1 1 1   16    2   19 o  197.533   15.189   52.762   7.7123   52.762   7.7123   0.0000   0.0000  197.533   15.189  ?   ?  0.000000 15.18921 
1 1 1   16    2   20 o   69.130   20.290   6.7949   3.8710   0.8972   5.4888   12.632   5.4603   53.229   22.670   92.885   22.851 -39.65599 32.18855 
1 1 1   16    2   21 f   63.309   19.986   5.5835   3.6652   8.0360   7.6090   4.8425   4.1824   77.388   28.635   60.974   21.400 16.41398 35.74772 
1 1 1   16    2   22 o  151.628   14.885   31.322   5.7709   56.110   9.9583   18.788   7.0811  200.130   19.456  112.005   25.036 88.12585 31.70701 
1 1 1   16    2   23 o  232.093   10.534   71.380   6.3331   90.530   13.061   65.494   7.2412  253.372   20.066  220.857   12.711 32.51495 23.75295 
1 1 1   16    2   24 o   47.899   20.314   0.8668   4.3750 -10.8200   8.6393   4.8975   5.0737   47.694   23.048   62.544   23.335 -14.85017 32.79834 
1 1 1   16    2   25 o  309.941   20.802  137.800   16.604  137.800   16.604   0.0000   0.0000  309.941   20.802  ?   ?  0.000000 20.80219 
1 1 1   16    2   26 o   54.746   23.112   1.8163   5.6216   0.0000   0.0000   1.8163   5.6216  ?   ?    54.746   23.112 0.000000 23.11183 
1 1 1   16    2   27 o  112.586   21.743   18.973   6.1112   24.010   10.719   16.547   7.4385  116.324   33.657  100.881   27.645 15.44254 43.55499 
1 1 1   16    2   28 o  184.089   12.796   46.192   6.0636   45.953   9.0282   46.388   8.1842  177.499   19.984  180.456   17.738 -2.956909 26.72056 
1 1 1   16    2   29 o  202.722   12.746   56.099   6.6592   55.646   9.5959   56.520   9.2487  195.775   19.169  198.348   18.204 -2.572952 26.43538 
1 1 1   16    2   30 o   53.948   22.587   2.3239   5.2976   0.7130   7.6869   3.7812   7.3111   57.625   25.628   62.603   26.389 -4.978367 36.78576 
1 1 1   16    2   31 o   52.043   22.294   1.5860   5.3644   7.3332   7.9235  -3.2776   7.2890   71.035   28.420   49.822   23.199 21.21252 36.68616 
1 1 1   16    2   32 o  196.433   13.700   53.722   6.9273   60.958   9.9317   46.866   9.6671  202.829   19.129  174.468   21.872 28.36049 29.05686 
1 1 1   16    2   33 o   41.770   19.611  -3.4544   5.3901  -0.9549   7.8355  -5.6996   7.4264   53.841   24.706   46.392   22.141 7.448425 33.17586 
1 1 1   16    3    0 o  144.447   22.396   28.820   8.1085   0.0000   0.0000   28.820   8.1085  ?   ?   144.447   22.396 0.000000 22.39618 
1 1 1   16    3    1 o  214.014   13.900   60.606   7.6641   54.320   11.644   65.410   10.180  198.911   23.025  220.842   17.951 -21.93086 29.19610 
1 1 1   16    3    2 o  138.898   16.991   25.996   5.9857   15.080   9.4005   33.440   7.7629  102.609   31.948  156.887   19.525 -54.27785 37.44172 
1 1 1   16    3    3 o   89.924   22.117   11.360   5.1162   10.670   8.6572   11.730   6.3422   89.389   30.821   91.051   25.744 -1.662392 40.15822 
1 1 1   16    3    4 o   98.404   20.771   13.496   5.1281   15.400   8.6396   12.460   6.3719  103.324   30.308   93.662   25.554 9.661743 39.64321 
1 1 1   16    3    5 o  256.501   12.634   86.513   8.3939   89.400   12.678   84.260   11.200  257.619   19.136  250.935   17.337 6.684494 25.82181 
1 1 1   16    3    6 o  121.151   14.728   19.678   4.5270   0.0000   0.0000   19.678   4.5270  ?   ?   121.151   14.728 0.000000 14.72840 
1 1 1   16    3    7 o  246.846   11.893   80.038   7.6044   0.0000   0.0000   80.038   7.6044  ?   ?   246.846   11.893 0.000000 11.89286 
1 1 1   16    3    8 o  188.303   12.404   46.846   6.0165   0.0000   0.0000   46.846   6.0165  ?   ?   188.303   12.404 0.000000 12.40433 
1 1 1   16    3    9 o  212.793   12.601   59.842   6.9148   0.0000   0.0000   59.842   6.9148  ?   ?   212.793   12.601 0.000000 12.60122 
1 1 1   16    3   10 o  247.141   12.237   80.428   7.8338   0.0000   0.0000   80.428   7.8338  ?   ?   247.141   12.237 0.000000 12.23710 
1 1 1   16    3   11 o  163.147   13.933   35.492   5.8314   0.0000   0.0000   35.492   5.8314  ?   ?   163.147   13.933 0.000000 13.93251 
1 1 1   16    3   12 o   35.251   16.495  -3.4852   3.7585   0.0000   0.0000  -3.4852   3.7585  ?   ?    35.251   16.495 0.000000 16.49493 
1 1 1   16    3   13 o  120.000   17.942   19.790   5.4057   19.790   5.4057   0.0000   0.0000  120.000   17.942  ?   ?  0.000000 17.94159 
1 1 1   16    3   14 o   44.185   16.960   1.8582   2.7244  -2.5154   3.4388   9.2306   4.4647   35.096   16.200   80.553   21.133 -45.45724 26.62817 
1 1 1   16    3   15 o   71.618   17.765   7.2020   3.2797   8.1922   4.3459   5.8921   4.9986   75.936   21.255   67.261   23.407 8.674507 31.61708 
1 1 1   16    3   16 o  118.108   12.803   18.707   3.8542   19.990   5.3440   17.317   5.5640  120.373   17.665  110.900   20.110 9.472137 26.76616 
1 1 1   16    3   17 o  181.610   10.532   43.595   4.9333   46.337   6.9359   40.788   7.0184  185.593   14.544  173.482   15.791 12.11116 21.46826 
1 1 1   16    3   18 o  129.226   19.022   23.296   6.1769   0.0000   0.0000   23.296   6.1769  ?   ?   129.226   19.022 0.000000 19.02228 
1 1 1   16    3   19 o   72.938   20.249   7.6060   3.9612   2.2372   5.4480   13.628   5.7698   56.547   23.216   96.451   23.345 -39.90304 32.92400 
1 1 1   16    3   20 o  118.832   13.932   19.149   4.2069   6.0780   7.9687   24.200   4.9534   73.142   28.743  133.495   14.561 -60.35355 32.22075 
1 1 1   16    3   21 o  123.734   13.904   20.774   4.3793   19.310   9.0295   21.224   5.0077  110.716   30.508  124.228   15.929 -13.51160 34.41599 
1 1 1   16    3   22 o  108.233   15.983   16.225   4.3461   12.410   8.8202   17.448   4.9945   90.010   31.106  111.441   17.909 -21.43182 35.89256 
1 1 1   16    3   23 o  130.042   14.923   23.186   4.9358   33.120   10.137   20.099   5.6509  147.030   27.632  118.986   18.972 28.04433 33.51760 
1 1 1   16    3   24 o  124.784   22.473   22.935   6.9967   18.520   10.879   26.050   9.1371  104.289   34.556  128.973   28.141 -24.68417 44.56462 
1 1 1   16    3   25 o  112.568   18.088   18.054   5.0955   7.3490   10.659   21.225   5.8014   78.166   32.322  121.668   19.032 -43.50230 37.50909 
1 1 1   16    3   26 o   74.261   22.878   8.3033   4.8352   6.5430   9.0707   9.0020   5.7149   73.526   30.045   76.819   25.026 -3.293755 39.10216 
1 1 1   16    3   27 o  104.620   24.411   17.034   6.4943   26.460   11.018   12.015   8.0394  122.094   33.723   85.708   29.692 36.38587 44.93203 
1 1 1   16    3   28 o   50.836   21.584   1.4157   4.9476  -9.4830   10.772   4.3299   5.5700   54.440   26.164   60.641   23.967 -6.201454 35.48182 
1 1 1   16    3   29 o   72.762   23.989   8.1915   5.2454   2.4946   7.4090   13.916   7.4271   60.477   26.059   90.834   28.416 -30.35751 38.55569 
1 1 1   16    3   30 o   78.113   23.734   9.6822   5.2263   15.313   7.9899   5.4713   6.9095   93.725   29.498   65.627   26.439 28.09815 39.61242 
1 1 1   16    3   31 o  153.247   16.563   33.647   6.4703   25.781   9.2413   41.212   9.0622  121.586   29.616  164.285   21.836 -42.69891 36.79614 
1 1 1   16    3   32 o  154.092   15.499   33.823   6.1023   35.667   9.0817   32.304   8.2395  149.136   24.349  143.324   22.970 5.812119 33.47391 
1 1 1   16    3   33 o  114.821   21.348   20.648   6.1157   19.613   8.3374   21.853   8.9982  102.899   29.657  107.518   30.757 -4.619743 42.72564 
1 1 1   16    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4    2 o  129.796   25.236   23.790   8.1791   0.0000   0.0000   23.790   8.1791  ?   ?   129.796   25.236 0.000000 25.23602 
1 1 1   16    4    3 o  346.557   12.829  157.987   11.516  143.500   16.708  171.100   15.896  326.255   19.865  358.502   17.117 -32.24680 26.22254 
1 1 1   16    4    4 o  165.182   15.997   36.521   6.7587   30.460   10.265   41.160   8.9799  145.855   28.190  173.799   20.331 -27.94356 34.75672 
1 1 1   16    4    5 o  170.300   15.723   38.775   6.8574   36.400   10.590   40.490   8.9990  160.568   26.378  172.198   20.583 -11.63010 33.45792 
1 1 1   16    4    6 o  188.319   14.749   47.202   7.1373   28.120   10.073   66.440   10.114  139.530   28.824  222.380   17.705 -82.85060 33.82780 
1 1 1   16    4    7 o  181.402   13.052   43.579   6.0917   0.0000   0.0000   43.579   6.0917  ?   ?   181.402   13.052 0.000000 13.05150 
1 1 1   16    4    8 o  336.323   11.975  148.735   10.432   0.0000   0.0000  148.735   10.432  ?   ?   336.323   11.975 0.000000 11.97451 
1 1 1   16    4    9 o  140.274   15.181   26.411   5.4279   0.0000   0.0000   26.411   5.4279  ?   ?   140.274   15.181 0.000000 15.18071 
1 1 1   16    4   10 o  252.832   12.735   84.533   8.3135   0.0000   0.0000   84.533   8.3135  ?   ?   252.832   12.735 0.000000 12.73498 
1 1 1   16    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4   12 o   54.541   21.305   2.7286   4.3567   0.0000   0.0000   2.7286   4.3567  ?   ?    54.541   21.305 0.000000 21.30525 
1 1 1   16    4   13 o   97.694   20.817   13.501   5.1067   0.0000   0.0000   13.501   5.1067  ?   ?    97.694   20.817 0.000000 20.81670 
1 1 1   16    4   14 o  253.014   8.5282   83.747   5.5892   73.239   7.3626   98.040   8.5867  235.117   12.130  272.347   12.172 -37.23024 17.18422 
1 1 1   16    4   15 o  221.000   9.1896   64.035   5.2607   58.114   7.0743   71.358   7.8683  208.834   13.145  231.471   13.178 -22.63678 18.61276 
1 1 1   16    4   16 o  219.737   9.3210   63.365   5.3054   54.546   7.1654   74.067   7.8932  201.884   13.785  235.800   12.973 -33.91611 18.92900 
1 1 1   16    4   17 o  133.365   18.011   24.588   6.0628   0.0000   0.0000   24.588   6.0628  ?   ?   133.365   18.011 0.000000 18.01096 
1 1 1   16    4   18 o  145.811   18.446   29.468   6.8111   0.0000   0.0000   29.468   6.8111  ?   ?   145.811   18.446 0.000000 18.44610 
1 1 1   16    4   19 o  124.732   13.222   20.970   4.2067   29.410   8.3160   18.068   4.8766  142.787   23.287  114.229   16.999 28.55817 28.83160 
1 1 1   16    4   20 o  184.430   10.660   45.103   5.0710   34.950   9.7227   48.897   5.9434  154.281   25.199  191.447   12.046 -37.16551 27.93028 
1 1 1   16    4   21 o   73.678   20.221   7.8330   3.9761   11.810   7.5179   6.2885   4.6849   88.288   28.701   67.409   22.683 20.87907 36.58194 
1 1 1   16    4   22 o   71.974   20.363   7.4958   3.9667   13.850   7.9291   5.3746   4.5812   94.198   29.343   63.555   22.390 30.64284 36.90973 
1 1 1   16    4   23 o  300.324   13.358  121.328   10.391  116.000   15.203  126.000   14.236  285.797   20.675  300.681   18.366 -14.88324 27.65465 
1 1 1   16    4   24 o  191.905   13.383   49.891   6.6111   37.780   12.107   55.037   7.8916  152.384   31.704  200.253   15.330 -47.86908 35.21551 
1 1 1   16    4   25 o  285.963   11.692  109.534   8.6609   88.850   15.048  119.780   10.591  244.078   24.116  297.154   13.760 -53.07555 27.76557 
1 1 1   16    4   26 o  123.780   17.340   21.746   5.4071   12.240   11.000   24.775   6.2091   87.196   33.911  131.285   18.795 -44.08969 38.77062 
1 1 1   16    4   27 o  106.855   28.484   18.862   8.0276   0.0000   0.0000   18.862   8.0276  ?   ?   106.855   28.484 0.000000 28.48441 
1 1 1   16    4   28 o   42.990   19.631  -1.9397   4.8660   11.200   10.736  -5.3370   5.4589   83.247   33.155   40.225   19.138 43.02245 38.28248 
1 1 1   16    4   29 o   45.648   20.408  -0.7075   4.9423   12.950   9.9931  -5.1299   5.6865   86.167   32.621   41.398   19.649 44.76869 38.08190 
1 1 1   16    4   30 o   52.403   22.370   1.6672   5.3675   4.2340   11.140   0.8913   6.1253   70.118   31.034   53.150   23.286 16.96824 38.79916 
1 1 1   16    4   31 o   46.958   20.861  -0.1483   5.0794   0.7370   7.6423  -0.8488   6.7982   56.895   25.411   51.738   23.461 5.157036 34.58533 
1 1 1   16    4   32 o   72.917   25.243   8.7218   5.8098   7.7445   8.1546   9.7292   8.2793   71.026   28.684   75.768   29.433 -4.741837 41.09849 
1 1 1   16    4   33 o   47.121   22.451  -5.2973   7.5666 -19.2500   11.371   5.7920   10.137   46.799   23.331   68.222   29.921 -21.42285 37.94221 
1 1 1   16    5    0 o  101.894   28.877   14.970   7.9701   0.0000   0.0000   14.970   7.9701  ?   ?   101.894   28.877 0.000000 28.87661 
1 1 1   16    5    1 o  154.956   23.117   33.300   8.9948   0.0000   0.0000   33.300   8.9948  ?   ?   154.956   23.117 0.000000 23.11683 
1 1 1   16    5    2 o  251.225   14.283   83.622   9.2563   64.240   13.761   99.640   12.509  214.965   25.190  272.650   17.811 -57.68457 30.85057 
1 1 1   16    5    3 o  122.345   33.244   22.240   10.810   22.240   10.810   0.0000   0.0000  122.345   33.244  ?   ?  0.000000 33.24419 
1 1 1   16    5    4 o  132.510   32.639   26.040   11.130   26.040   11.130   0.0000   0.0000  132.510   32.639  ?   ?  0.000000 32.63942 
1 1 1   16    5    5 o  101.014   31.825   14.710   9.2973   14.710   9.2973   0.0000   0.0000  101.014   31.825  ?   ?  0.000000 31.82452 
1 1 1   16    5    6 o  176.640   26.814   44.170   11.883   44.170   11.883   0.0000   0.0000  176.640   26.814  ?   ?  0.000000 26.81434 
1 1 1   16    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5    9 o   62.279   21.964   4.7910   4.4100   0.0000   0.0000   4.7910   4.4100  ?   ?    62.279   21.964 0.000000 21.96441 
1 1 1   16    5   10 o   59.796   22.252   3.9824   4.6078   0.0000   0.0000   3.9824   4.6078  ?   ?    59.796   22.252 0.000000 22.25190 
1 1 1   16    5   11 o   98.085   21.062   13.590   5.1913   0.0000   0.0000   13.590   5.1913  ?   ?    98.085   21.062 0.000000 21.06167 
1 1 1   16    5   12 o  126.971   17.525   22.068   5.6103   0.0000   0.0000   22.068   5.6103  ?   ?   126.971   17.525 0.000000 17.52528 
1 1 1   16    5   13 o  148.030   16.324   29.726   6.1551   0.0000   0.0000   29.726   6.1551  ?   ?   148.030   16.324 0.000000 16.32357 
1 1 1   16    5   14 o   95.033   13.079   12.189   3.1342   9.5118   3.8885   17.154   5.2952   82.159   18.693  110.877   19.128 -28.71713 26.74513 
1 1 1   16    5   15 o  106.396   13.237   15.257   3.5693   9.4489   4.7236   22.987   5.4492   81.114   21.948  129.648   16.608 -48.53383 27.52378 
1 1 1   16    5   16 o   32.747   15.223  -2.5713   3.1181  -5.7434   4.1456   1.5613   4.7318   33.708   16.208   52.091   21.538 -18.38261 26.95492 
1 1 1   16    5   17 o   61.312   18.097   5.2354   3.0719   2.8890   6.3133   5.9632   3.5162   61.285   25.057   65.218   19.390 -3.932476 31.68284 
1 1 1   16    5   18 o   80.250   20.395   9.2581   4.2485   0.0000   0.0000   9.2581   4.2485  ?   ?    80.250   20.395 0.000000 20.39523 
1 1 1   16    5   19 o   60.411   20.134   4.9149   3.6915   14.800   7.5390   1.7974   4.2337   98.470   28.147   50.462   20.563 48.00808 34.85803 
1 1 1   16    5   20 o   72.913   19.790   7.6390   3.8332   13.510   7.5382   5.5915   4.4517   93.915   28.497   64.411   22.108 29.50320 36.06676 
1 1 1   16    5   21 o   99.024   16.676   13.696   4.1254   19.750   8.2412   11.672   4.7655  112.937   28.244   89.562   20.920 23.37494 35.14783 
1 1 1   16    5   22 o  120.440   19.529   20.666   5.8839   28.020   8.7799   14.670   7.9275  136.451   25.785   96.573   29.205 39.87852 38.95957 
1 1 1   16    5   23 o   61.819   21.954   5.0757   4.4132   9.1860   9.3467   3.8964   5.0065   81.184   31.346   59.136   22.911 22.04813 38.82681 
1 1 1   16    5   24 o  147.320   14.270   29.710   5.3773   37.890   11.279   27.304   6.1172  154.662   29.226  139.450   17.307 15.21216 33.96590 
1 1 1   16    5   25 o   91.705   21.506   12.585   5.0202   6.9750   10.528   14.236   5.7114   76.779   31.966   96.758   23.106 -19.97945 39.44291 
1 1 1   16    5   26 o  218.334   13.085   64.846   7.3660   51.250   12.627   71.858   9.0689  179.587   28.063  227.744   15.465 -48.15778 32.04208 
1 1 1   16    5   27 o   73.130   28.061   7.7134   7.4569   0.0000   0.0000   7.7134   7.4569  ?   ?    73.130   28.061 0.000000 28.06108 
1 1 1   16    5   28 o   64.514   23.695   5.8648   5.1941   6.7270   10.959   5.6150   5.8987   74.836   31.956   64.793   24.935 10.04310 40.53297 
1 1 1   16    5   29 o   54.160   22.639   2.3828   5.3103  -4.3200   10.641   4.6055   6.1278   58.582   27.521   62.071   24.936 -3.489136 37.13782 
1 1 1   16    5   30 o   99.938   22.910   15.714   5.8040   13.140   11.764   16.542   6.6725   85.207   34.438  100.399   25.584 -15.19248 42.90114 
1 1 1   16    5   31 o  140.799   18.575   29.258   6.6090   6.4380   12.614   37.893   7.7593   73.820   32.831  159.859   19.118 -86.03905 37.99128 
1 1 1   16    5   32 o  153.802   17.105   34.501   6.6991   20.120   12.548   40.234   7.9228   95.298   36.440  164.139   18.985 -68.84060 41.08879 
1 1 1   16    5   33 o   53.650   26.434 -13.8900   13.069 -13.8900   13.069   0.0000   0.0000   53.650   26.434  ?   ?  0.000000 26.43446 
1 1 1   16    6    0 o  247.247   15.187   81.301   9.6793   82.730   14.907   80.260   12.727  244.869   23.803  243.129   20.398 1.739761 31.34704 
1 1 1   16    6    1 o  148.478   26.325   31.270   9.7538   0.0000   0.0000   31.270   9.7538  ?   ?   148.478   26.325 0.000000 26.32454 
1 1 1   16    6    2 o  143.324   26.852   29.290   9.6027   0.0000   0.0000   29.290   9.6027  ?   ?   143.324   26.852 0.000000 26.85221 
1 1 1   16    6    3 o  259.738   14.826   89.620   9.9333   60.700   14.623  114.400   13.536  206.894   28.006  291.884   17.990 -84.98994 33.28611 
1 1 1   16    6    4 o  173.459   17.710   40.615   7.8458   48.620   12.565   35.500   10.044  185.371   26.958  158.787   25.268 26.58441 36.94869 
1 1 1   16    6    5 o  199.871   16.081   53.473   8.2553   45.650   12.497   59.530   10.996  178.908   27.874  208.863   20.593 -29.95529 34.65576 
1 1 1   16    6    6 o  220.553   14.939   64.802   8.4844   70.500   13.032   60.610   11.178  226.212   22.541  210.573   20.763 15.63896 30.64635 
1 1 1   16    6    7 o  109.368   25.336   17.185   7.0367   19.880   10.502   14.990   9.4792  115.112   33.316  101.390   32.155 13.72204 46.30197 
1 1 1   16    6    8 o  360.979   12.376  171.745   11.572   0.0000   0.0000  171.745   11.572  ?   ?   360.979   12.376 0.000000 12.37632 
1 1 1   16    6    9 o   41.460   18.647  -1.7350   4.1933   0.0000   0.0000  -1.7350   4.1933  ?   ?    41.460   18.647 0.000000 18.64680 
1 1 1   16    6   10 o  247.251   13.319   81.143   8.4990   0.0000   0.0000   81.143   8.4990  ?   ?   247.251   13.319 0.000000 13.31941 
1 1 1   16    6   11 o   63.139   23.344   4.6264   5.0550   0.0000   0.0000   4.6264   5.0550  ?   ?    63.139   23.344 0.000000 23.34399 
1 1 1   16    6   12 o  142.630   17.082   27.729   6.1854   0.0000   0.0000   27.729   6.1854  ?   ?   142.630   17.082 0.000000 17.08170 
1 1 1   16    6   13 o  347.187   12.686  159.687   11.408   0.0000   0.0000  159.687   11.408  ?   ?   347.187   12.686 0.000000 12.68561 
1 1 1   16    6   14 o  151.442   10.156   30.288   3.9611   28.936   5.0555   32.438   6.3747  146.951   13.430  154.543   16.163 -7.591675 21.01469 
1 1 1   16    6   15 o   28.089   13.502  -4.0728   2.8719  -3.7843   3.4387  -4.7382   5.2218   32.499   15.383   41.157   19.317 -8.658566 24.69354 
1 1 1   16    6   16 o   71.163   17.359   7.1375   3.1713   4.4880   6.3695   8.0108   3.6567   65.674   25.731   75.099   18.832 -9.425514 31.88634 
1 1 1   16    6   17 o  123.595   12.366   20.481   3.9059   12.950   7.9307   22.893   4.4880   92.666   29.414  130.328   13.490 -37.66193 32.35961 
1 1 1   16    6   18 o  236.227   13.113   74.665   7.9921   0.0000   0.0000   74.665   7.9921  ?   ?   236.227   13.113 0.000000 13.11263 
1 1 1   16    6   19 o  180.483   11.998   43.477   5.5772   24.010   9.3962   54.066   6.9300  124.481   29.578  200.626   13.412 -76.14488 32.47672 
1 1 1   16    6   20 o   39.798   17.550  -0.6443   3.5304   4.4040   6.9399  -2.4069   4.1006   66.268   26.567   38.995   17.886 27.27278 32.02707 
1 1 1   16    6   21 o   51.771   21.032   2.0810   4.4126   5.8770   7.6010   0.1515   5.4192   71.173   28.039   50.840   22.095 20.33323 35.69871 
1 1 1   16    6   22 o  161.682   15.169   35.799   6.2787   36.640   10.546   35.337   7.8145  154.908   27.279  157.916   19.520 -3.008713 33.54327 
1 1 1   16    6   23 o   81.351   20.827   9.7650   4.4075   2.7080   9.0789   11.941   5.0415   67.062   28.871   89.573   21.909 -22.51086 36.24334 
1 1 1   16    6   24 o  226.699   12.505   69.327   7.3145   47.950   12.764   79.781   8.9256  173.658   29.425  241.759   14.317 -68.10104 32.72323 
1 1 1   16    6   25 o  110.305   18.040   17.443   4.9763   20.460   10.105   16.477   5.7177  108.303   33.022  104.949   21.747 3.353996 39.54025 
1 1 1   16    6   26 o  116.739   18.818   19.757   5.4969   16.450   10.725   20.935   6.4017   95.982   34.210  118.258   21.698 -22.27592 40.51060 
1 1 1   16    6   27 o  147.034   23.487   33.057   8.6441   0.0000   0.0000   33.057   8.6441  ?   ?   147.034   23.487 0.000000 23.48656 
1 1 1   16    6   28 o  105.594   20.860   16.817   5.5033  -2.3570   11.277   22.811   6.3051   62.468   29.010  123.755   20.378 -61.28756 35.45192 
1 1 1   16    6   29 o  271.738   13.037  101.109   9.1764   62.310   15.115  123.755   11.548  188.811   32.052  297.716   15.023 -108.9044 35.39775 
1 1 1   16    6   30 o  111.242   21.783   19.114   6.0521   18.230   11.957   19.419   7.0175   94.789   35.732  109.035   25.330 -14.24563 43.79929 
1 1 1   16    6   31 o   82.465   24.590   11.262   5.6489   2.5360   11.743   13.889   6.4435   67.224   30.618   90.443   26.073 -23.21810 40.21549 
1 1 1   16    6   32 o   47.869   22.721  -4.8984   7.6049 -22.0700   11.213   9.7290   10.349   45.010   22.549   75.546   31.594 -30.53602 38.81481 
1 1 1   16    7    0 o  300.070   14.475  119.215   11.251  104.900   16.946  130.500   15.046  275.442   23.991  311.162   18.755 -35.72025 30.45219 
1 1 1   16    7    1 o   94.640   27.011   12.864   6.9480   12.840   11.058   12.880   8.9311   97.153   34.725   95.347   31.296 1.806595 46.74712 
1 1 1   16    7    2 o  329.304   18.994  146.300   16.133   0.0000   0.0000  146.300   16.133  ?   ?   329.304   18.994 0.000000 18.99401 
1 1 1   16    7    3 o  190.409   24.137   50.540   11.637   0.0000   0.0000   50.540   11.637  ?   ?   190.409   24.137 0.000000 24.13691 
1 1 1   16    7    4 o   92.516   27.800   12.267   7.1998   16.830   11.564   9.3780   9.2007  107.087   35.633   86.018   31.545 21.06894 47.58999 
1 1 1   16    7    5 o  228.497   15.632   69.765   9.1964   78.570   14.643   64.030   11.818  237.708   24.116  215.985   21.405 21.72295 32.24498 
1 1 1   16    7    6 o  240.685   15.708   77.444   9.7392   73.220   14.352   81.050   13.260  228.939   24.586  243.158   21.266 -14.21867 32.50705 
1 1 1   16    7    7 o  192.257   18.199   50.123   8.9551   33.850   12.997   64.830   12.356  149.253   34.333  216.514   22.353 -67.26131 40.96862 
1 1 1   16    7    8 o  231.109   16.048   71.648   9.5475   68.210   14.047   74.600   13.016  220.142   25.081  232.491   21.871 -12.34912 33.27794 
1 1 1   16    7    9 o  245.662   13.446   80.164   8.5235   0.0000   0.0000   80.164   8.5235  ?   ?   245.662   13.446 0.000000 13.44554 
1 1 1   16    7   10 o  383.786   12.849  194.893   12.774   0.0000   0.0000  194.893   12.774  ?   ?   383.786   12.849 0.000000 12.84914 
1 1 1   16    7   11 o  180.922   15.547   44.080   7.2152   0.0000   0.0000   44.080   7.2152  ?   ?   180.922   15.547 0.000000 15.54705 
1 1 1   16    7   12 o   81.429   23.951   9.5157   5.3888   0.0000   0.0000   9.5157   5.3888  ?   ?    81.429   23.951 0.000000 23.95098 
1 1 1   16    7   13 f   82.877   25.060   9.9187   5.8371   0.0000   0.0000   9.9187   5.8371  ?   ?    82.877   25.060 0.000000 25.06022 
1 1 1   16    7   14 o  118.132   11.855   18.640   3.5788   18.219   4.4094   19.453   6.1260  115.716   15.068  117.191   20.950 -1.474930 25.80578 
1 1 1   16    7   15 o  104.837   12.939   14.821   3.4391   13.510   6.9295   15.250   3.9614   95.098   26.917  105.712   14.879 -10.61392 30.75542 
1 1 1   16    7   16 o  185.313   10.200   45.387   4.8772   20.400   8.9390   55.978   5.8197  115.082   29.764  205.545   10.970 -90.46256 31.72131 
1 1 1   16    7   17 o  192.713   10.238   49.113   5.0922   42.480   9.7893   51.574   5.9624  172.604   22.425  196.859   11.746 -24.25494 25.31505 
1 1 1   16    7   18 o  106.985   25.181   17.081   6.8621   0.0000   0.0000   17.081   6.8621  ?   ?   106.985   25.181 0.000000 25.18054 
1 1 1   16    7   19 o  205.443   10.460   55.939   5.5478   35.570   10.359   64.131   6.5694  154.009   26.948  219.443   11.598 -65.43452 29.33808 
1 1 1   16    7   20 o  216.624   13.563   63.232   7.5720   44.520   11.026   79.930   10.416  173.525   25.274  241.235   16.774 -67.71046 30.33353 
1 1 1   16    7   21 o   58.819   20.806   4.5084   3.9598   9.8410   7.5199   2.4625   4.6579   81.596   28.692   53.753   21.689 27.84309 35.96714 
1 1 1   16    7   22 o   49.129   19.953   1.8768   3.9699   10.520   7.6666  -1.2898   4.6405   83.243   28.987   43.922   19.695 39.32141 35.04499 
1 1 1   16    7   23 o  112.427   16.539   17.738   4.6724   17.950   9.9609   17.678   5.2906  102.883   32.997  110.870   19.112 -7.987167 38.13254 
1 1 1   16    7   24 o   38.681   18.040  -3.3086   4.4365  -5.5840   9.4664  -2.6681   5.0221   55.432   26.014   42.764   19.681 12.66814 32.62040 
1 1 1   16    7   25 o   80.559   22.367   9.8977   4.8331   19.690   10.086   6.9791   5.5064  105.600   33.128   69.295   24.532 36.30439 41.22217 
1 1 1   16    7   26 o  163.705   13.906   36.901   5.8408   25.020   11.891   40.680   6.7054  115.092   35.948  170.877   15.312 -55.78423 39.07291 
1 1 1   16    7   27 o  186.444   19.765   50.859   9.4000   0.0000   0.0000   50.859   9.4000  ?   ?   186.444   19.765 0.000000 19.76534 
1 1 1   16    7   28 o   69.408   23.939   7.3583   5.2230  -0.5231   10.628   9.8676   5.9971   62.965   28.849   78.240   25.643 -15.27463 38.59887 
1 1 1   16    7   29 f   62.106   24.075   5.1512   5.5304   17.400   11.407   1.3876   6.3232   94.112   35.013   54.648   23.808 39.46374 42.34110 
1 1 1   16    7   30 o   81.291   25.201   10.954   5.8566  -1.1390   11.603   15.087   6.7841   63.063   29.333   94.238   26.619 -31.17540 39.61055 
1 1 1   16    7   31 o   87.404   29.271   13.936   7.8010   1.8530   10.861   26.810   11.211   64.505   29.406  114.807   34.734 -50.30185 45.51019 
1 1 1   16    7   32 o   80.486   26.063   11.314   6.2032 -11.7900   12.190   19.388   7.2060   53.356   26.136  105.751   26.391 -52.39446 37.14256 
1 1 1   16    8    0 f  179.061   19.114   43.658   8.7286   43.370   14.280   43.830   11.029  170.414   33.543  176.592   24.794 -6.178192 41.71198 
1 1 1   16    8    1 o  217.345   16.246   63.322   9.0803   47.760   13.158   77.470   12.546  182.046   28.868  238.208   20.534 -56.16200 35.42588 
1 1 1   16    8    2 o  144.878   22.683   29.328   8.2330   36.970   13.701   25.010   10.300  156.193   34.761  129.742   31.060 26.45105 46.61585 
1 1 1   16    8    3 o  110.841   32.722   18.370   10.042   0.0000   0.0000   18.370   10.042  ?   ?   110.841   32.722 0.000000 32.72248 
1 1 1   16    8    4 o  225.507   16.838   68.376   9.7645   28.970   14.894   98.080   12.931  135.104   39.841  269.212   18.659 -134.1077 43.99356 
1 1 1   16    8    5 o  335.635   14.302  149.445   12.434  116.700   18.102  178.700   17.110  289.324   24.381  364.408   18.126 -75.08466 30.38095 
1 1 1   16    8    6 o  218.737   17.031   64.495   9.5734   43.180   13.807   84.230   13.286  170.031   32.534  247.788   20.894 -77.75684 38.66552 
1 1 1   16    8    7 o   78.152   28.318   7.7860   7.3826   20.340   11.297  -1.5710   9.7532  115.183   34.871   64.890   28.863 50.29251 45.26698 
1 1 1   16    8    8 f  140.572   22.748   27.845   8.0001   13.490   11.879   39.760   10.822   98.145   35.866  166.683   25.907 -68.53764 44.24421 
1 1 1   16    8    9 o  304.311   14.373  123.251   11.329  128.300   16.361  118.600   15.703  305.439   20.803  293.641   20.779 11.79803 29.40355 
1 1 1   16    8   10 o   49.659   21.481  -0.0515   5.0742   0.0000   0.0000  -0.0515   5.0742  ?   ?    49.659   21.481 0.000000 21.48096 
1 1 1   16    8   11 o  120.176   20.522   20.290   6.1590   0.0000   0.0000   20.290   6.1590  ?   ?   120.176   20.522 0.000000 20.52221 
1 1 1   16    8   12 o   94.744   24.121   13.096   5.9352   0.0000   0.0000   13.096   5.9352  ?   ?    94.744   24.121 0.000000 24.12111 
1 1 1   16    8   13 o  313.293   11.663  129.830   9.4644   0.0000   0.0000  129.830   9.4644  ?   ?   313.293   11.663 0.000000 11.66250 
1 1 1   16    8   14 o  150.126   10.436   29.843   4.0331   22.470   7.4646   32.882   4.7930  124.362   24.042  157.130   11.863 -32.76784 26.80973 
1 1 1   16    8   15 o   97.836   14.456   13.079   3.5533   14.340   7.1214   12.661   4.1001   97.566   27.172   95.230   17.257 2.335999 32.18919 
1 1 1   16    8   16 o  179.047   10.520   42.465   4.8578   19.240   9.3353   51.090   5.6886  110.677   31.213  196.140   11.244 -85.46345 33.17596 
1 1 1   16    8   17 o  126.974   13.030   21.730   4.2247   12.250   8.2760   25.071   4.9131   90.060   30.149  136.014   14.152 -45.95431 33.30513 
1 1 1   16    8   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   19 o   67.026   22.682   6.2220   4.6850   10.540   7.5118   3.4730   5.9935   84.099   28.720   61.147   24.627 22.95224 37.83335 
1 1 1   16    8   20 o  126.178   14.314   21.740   4.5957   12.160   8.9212   25.201   5.3620   88.895   31.251  135.341   15.579 -46.44640 34.91904 
1 1 1   16    8   21 o  157.276   12.668   33.365   5.1171   24.650   9.7593   36.670   6.0094  123.601   30.636  164.058   14.284 -40.45696 33.80239 
1 1 1   16    8   22 o  112.587   16.006   17.686   4.5364   1.1310   8.8759   23.539   5.2778   63.650   27.955  130.146   15.992 -66.49628 32.20618 
1 1 1   16    8   23 o   55.871   21.175   3.7016   4.2136  -5.9910   8.8836   6.5151   4.7862   53.211   25.044   67.367   22.925 -14.15582 33.95294 
1 1 1   16    8   24 o   49.670   20.514   1.7932   4.2860   0.4848   9.2496   2.1509   4.8365   62.692   27.981   52.731   21.786 9.960369 35.46242 
1 1 1   16    8   25 o  121.420   16.611   20.896   5.0874   14.260   10.991   22.705   5.7392   90.507   34.225  125.628   18.164 -35.12132 38.74591 
1 1 1   16    8   26 o   47.493   20.565   0.5679   4.6601  -0.2496   10.007   0.7942   5.2659   62.533   28.398   50.402   21.843 12.13167 35.82642 
1 1 1   16    8   27 o   76.740   26.955   9.4345   6.6362   12.820   11.273   7.6388   8.2096   85.667   34.020   72.821   28.996 12.84573 44.70032 
1 1 1   16    8   28 o   43.840   20.074  -1.9432   5.1345  -0.9049   10.664  -2.2565   5.8582   62.227   28.654   46.288   21.286 15.93886 35.69451 
1 1 1   16    8   29 o  110.126   21.856   18.788   6.0145   20.560   12.196   18.219   6.9137   99.317   36.335  105.108   25.625 -5.791298 44.46188 
1 1 1   16    8   30 o   80.351   28.466   11.292   7.4149   7.4970   11.930   13.680   9.4650   74.092   32.479   85.282   31.861 -11.19044 45.49715 
1 1 1   16    8   31 o   52.519   22.506   2.0158   5.4708   10.240   10.950  -0.7200   6.3155   76.678   32.307   49.651   22.553 27.02642 39.40022 
1 1 1   16    8   32 o   44.724   20.586  -1.6700   5.4973  -6.8630   11.545  -0.1472   6.2516   55.346   26.721   49.963   22.592 5.382557 34.99153 
1 1 1   16    9    0 o  276.186   9.1391   99.788   6.5382   78.170   17.222  103.429   7.0673  232.742   29.210  280.999   9.7095 -48.25659 30.78120 
1 1 1   16    9    1 o  164.288   20.191   37.136   8.4116   30.380   12.548   42.650   11.336  140.811   34.640  173.037   26.103 -32.22565 43.37340 
1 1 1   16    9    2 o  215.997   18.075   63.207   10.020   48.300   15.634   73.600   13.053  178.170   35.123  230.754   22.109 -52.58430 41.50240 
1 1 1   16    9    3 o  272.304   20.939  101.700   14.656   0.0000   0.0000  101.700   14.656  ?   ?   272.304   20.939 0.000000 20.93851 
1 1 1   16    9    4 o  308.612   19.754  129.800   15.708   0.0000   0.0000  129.800   15.708  ?   ?   308.612   19.754 0.000000 19.75385 
1 1 1   16    9    5 o  179.808   20.081   44.471   9.1933   31.990   13.981   53.980   12.203  142.340   37.423  195.573   24.634 -53.23305 44.80313 
1 1 1   16    9    6 f  327.753   14.843  143.122   12.601  134.700   18.374  150.600   17.315  311.318   22.947  331.733   20.247 -20.41501 30.60256 
1 1 1   16    9    7 o  255.533   16.123   87.821   10.617   90.950   15.759   85.220   14.366  254.319   24.215  247.313   22.678 7.005341 33.17661 
1 1 1   16    9    8 o   68.686   27.500   4.3244   7.4246 -10.9800   11.501   15.260   9.7219   58.789   27.915  100.870   32.625 -42.08087 42.93716 
1 1 1   16    9    9 o  197.167   18.159   53.094   9.1698   44.100   12.826   62.500   13.115  172.318   29.813  209.740   24.608 -37.42146 38.65741 
1 1 1   16    9   10 o  215.794   16.722   63.130   9.2743   51.490   12.535   77.210   13.786  188.676   26.369  234.297   23.012 -45.62103 34.99806 
1 1 1   16    9   11 o  119.077   21.677   20.168   6.4397   0.0000   0.0000   20.168   6.4397  ?   ?   119.077   21.677 0.000000 21.67673 
1 1 1   16    9   12 o  143.574   19.794   28.782   7.1657   0.0000   0.0000   28.782   7.1657  ?   ?   143.574   19.794 0.000000 19.79421 
1 1 1   16    9   13 o   39.547   15.622   1.2659   2.3655  -6.9470   4.9544   3.6908   2.6921   36.530   17.604   52.720   17.176 -16.18926 24.59510 
1 1 1   16    9   14 o  139.533   11.129   25.904   3.9888   11.580   7.3549   31.873   4.7477   88.212   28.361  154.562   11.951 -66.35017 30.77592 
1 1 1   16    9   15 o  134.912   11.771   24.324   4.0724   14.070   7.7083   28.294   4.7964   95.952   28.750  145.149   12.891 -49.19699 31.50783 
1 1 1   16    9   16 o  151.801   11.898   30.796   4.6409   21.860   9.0726   33.962   5.4010  118.575   29.624  158.887   13.244 -40.31155 32.44954 
1 1 1   16    9   17 o   37.131   17.031  -2.2366   3.7173  -1.5140   6.5821  -2.5750   4.5044   52.385   23.476   40.882   18.750 11.50297 30.04450 
1 1 1   16    9   18 o  129.143   29.462   26.050   9.6377   26.050   9.6377   0.0000   0.0000  129.143   29.462  ?   ?  0.000000 29.46211 
1 1 1   16    9   19 o  106.173   16.262   15.696   4.3298   14.800   8.5440   16.006   5.0225   96.512   30.519  105.962   18.996 -9.450027 35.94811 
1 1 1   16    9   20 o  111.417   15.582   17.206   4.3740   7.8220   8.7185   20.363   5.0563   77.265   30.151  120.859   16.589 -43.59420 34.41306 
1 1 1   16    9   21 o  125.075   14.661   21.520   4.6598  -3.0070   9.2211   29.932   5.4000   58.437   26.810  147.953   14.267 -89.51633 30.37020 
1 1 1   16    9   22 o   74.649   21.325   8.2877   4.3289   7.5910   8.8869   8.5044   4.9567   75.971   30.194   75.284   23.159 0.6874924 38.05314 
1 1 1   16    9   23 o  100.770   19.050   14.773   4.7903   4.8500   10.010   17.720   5.4556   71.717   30.580  110.098   19.861 -38.38138 36.46374 
1 1 1   16    9   24 o  141.209   14.459   27.594   5.2142   40.710   11.139   23.914   5.9006  159.378   28.004  129.052   18.153 30.32585 33.37293 
1 1 1   16    9   25 o  104.037   19.471   15.974   5.0543   19.160   10.536   15.022   5.7604  101.960   34.018   98.510   22.993 3.449501 41.05981 
1 1 1   16    9   26 o   98.071   24.162   15.263   6.0979   0.0000   0.0000   15.263   6.0979  ?   ?    98.071   24.162 0.000000 24.16165 
1 1 1   16    9   27 o  142.284   15.787   28.685   5.7204   18.080   11.983   31.814   6.5100   95.555   35.820  148.749   17.214 -53.19407 39.74183 
1 1 1   16    9   28 o   44.349   20.236  -1.6485   5.1587   13.800   11.284  -5.7300   5.8002   86.057   34.081   40.776   19.490 45.28154 39.26039 
1 1 1   16    9   29 o   63.906   24.435   5.8759   5.6418  -0.1503   11.579   7.7518   6.4605   63.905   29.578   70.228   26.306 -6.323017 39.58376 
1 1 1   16    9   30 o   80.015   29.448   11.530   8.0283   12.390   12.180   10.870   10.676   81.057   34.108   78.195   32.342 2.862335 47.00438 
1 1 1   16    9   31 o   76.980   25.446   10.218   5.9007   5.9370   12.277   11.504   6.7289   70.279   31.729   80.188   27.183 -9.909164 41.78111 
1 1 1   16   10    0 o  206.961   10.077   56.208   5.4024   58.720   16.238   55.895   5.7287  197.932   32.821  205.924   10.777 -7.991562 34.54504 
1 1 1   16   10    1 o   65.889   17.133   6.0510   2.9516 -11.7400   11.552   7.2934   3.0529   58.411   27.805   72.381   16.632 -13.97044 32.39961 
1 1 1   16   10    2 o  211.584   11.727   59.198   6.4018   62.650   15.106   58.442   7.0679  207.548   28.881  209.704   13.077 -2.155701 31.70371 
1 1 1   16   10    3 o  120.882   27.154   21.444   8.2947   21.720   13.604   21.280   10.465  117.344   38.631  117.824   32.983 -0.4796829 50.79607 
1 1 1   16   10    4 o   90.597   32.907   11.230   9.9778   0.0000   0.0000   11.230   9.9778  ?   ?    90.597   32.907 0.000000 32.90683 
1 1 1   16   10    5 o  119.062   35.240   22.190   11.634   0.0000   0.0000   22.190   11.634  ?   ?   119.062   35.240 0.000000 35.23953 
1 1 1   16   10    6 o  176.492   20.389   43.154   9.1497   42.180   13.340   44.020   12.574  167.025   31.997  172.777   29.131 -5.752106 43.27183 
1 1 1   16   10    7 o  298.644   15.302  119.692   11.798  104.600   16.653  134.900   16.717  272.453   23.836  312.598   20.763 -40.14447 31.61093 
1 1 1   16   10    8 o  193.775   19.326   51.741   9.5709   46.700   14.152   55.990   12.993  175.047   32.405  197.013   26.102 -21.96564 41.61036 
1 1 1   16   10    9 o  218.603   18.047   65.347   10.128   58.870   14.856   70.970   13.843  198.846   29.757  223.227   24.334 -24.38135 38.43992 
1 1 1   16   10   10 o  188.884   18.929   49.222   9.1368   40.050   12.455   59.910   13.445  162.441   30.726  203.246   26.144 -40.80518 40.34295 
1 1 1   16   10   11 o   42.754   15.723   2.0239   2.2879  -5.2530   9.8428   2.4396   2.3524   59.086   27.321   45.163   16.030 13.92298 31.67585 
1 1 1   16   10   12 o  175.925   9.7271   40.845   4.4154   34.690   8.0851   43.461   5.2708  157.224   20.329  180.906   11.305 -23.68164 23.26046 
1 1 1   16   10   13 o   59.728   17.363   4.9808   2.8469   8.8580   5.9845   3.8468   3.2366   78.442   25.612   54.673   18.846 23.76921 31.79830 
1 1 1   16   10   14 o   86.638   15.419   10.405   3.3336   7.6760   6.5293   11.367   3.8769   74.913   26.693   89.974   17.263 -15.06052 31.78889 
1 1 1   16   10   15 o  243.791   12.368   79.372   7.7849   58.070   11.464   97.600   10.605  201.635   22.324  268.279   15.324 -66.64429 27.07772 
1 1 1   16   10   16 o  170.747   13.942   39.414   6.1125   34.680   9.7020   42.530   7.8712  153.045   25.361  175.311   17.570 -22.26549 30.85277 
1 1 1   16   10   17 o  148.033   21.654   31.517   8.0577   0.0000   0.0000   31.517   8.0577  ?   ?   148.033   21.654 0.000000 21.65391 
1 1 1   16   10   18 o   93.533   18.159   12.454   4.2408   0.7092   8.2122   16.725   4.9522   61.647   26.987  108.714   18.231 -47.06733 32.56794 
1 1 1   16   10   19 o  136.724   13.576   25.414   4.7443   22.040   9.3727   26.576   5.5012  116.696   30.622  138.841   15.564 -22.14532 34.35073 
1 1 1   16   10   20 o   94.540   18.105   12.792   4.2723   10.960   8.3610   13.439   4.9701   84.457   30.194   95.700   20.655 -11.24317 36.58297 
1 1 1   16   10   21 o   43.645   18.668   0.4661   3.7509   0.6944   7.7600   0.3965   4.2846   59.432   26.120   45.994   19.818 13.43753 32.78687 
1 1 1   16   10   22 o   71.507   22.224   7.6322   4.5513  -7.6690   9.5602   12.116   5.1754   53.281   25.343   89.334   22.405 -36.05359 33.82703 
1 1 1   16   10   23 o  154.503   14.097   32.880   5.5795   25.660   11.318   35.197   6.4129  118.916   34.635  158.703   15.810 -39.78770 38.07301 
1 1 1   16   10   24 o  148.169   14.651   30.507   5.5495   5.2000   10.976   39.198   6.4322   72.687   31.517  167.868   14.949 -95.18191 34.88301 
1 1 1   16   10   25 f   83.432   22.699   10.873   5.0361  -7.7280   10.317   16.692   5.7703   54.391   25.997  104.332   22.042 -49.94113 34.08384 
1 1 1   16   10   26 o   78.904   29.099   10.290   7.8446   0.0000   0.0000   10.290   7.8446  ?   ?    78.904   29.099 0.000000 29.09875 
1 1 1   16   10   27 o   65.768   23.906   6.4458   5.2673   8.5650   10.540   5.7403   6.0811   75.863   31.816   64.553   25.183 11.30948 40.57641 
1 1 1   16   10   28 o  121.959   19.133   22.200   5.8454   21.750   12.310   22.331   6.6419  100.939   36.568  119.655   22.248 -18.71580 42.80444 
1 1 1   16   10   29 o   56.714   25.133   1.4789   7.3294   1.5730   11.097   1.4060   9.7618   64.535   29.535   61.924   28.093 2.610176 40.76232 
1 1 1   16   10   30 o  146.721   17.200   31.656   6.4129   28.970   12.907   32.536   7.3896  112.213   37.650  145.744   20.110 -33.53075 42.68403 
1 1 1   16   10   31 f  128.179   20.046   25.496   6.4378   22.990   12.794   26.345   7.4496   96.860   36.853  126.456   23.611 -29.59577 43.76817 
1 1 1   16   11    0 o  256.168   14.155   87.645   9.3561   0.0000   0.0000   87.645   9.3561  ?   ?   256.168   14.155 0.000000 14.15500 
1 1 1   16   11    1 o  266.326   11.630   93.630   8.0234   79.720   16.569   97.891   9.1704  234.445   27.827  271.665   13.032 -37.22083 30.72703 
1 1 1   16   11    2 o  243.329   9.3383   77.640   5.8859   69.910   16.678   78.740   6.2907  217.080   30.502  244.853   9.9184 -27.77316 32.07407 
1 1 1   16   11    3 o  236.886   11.566   74.082   7.0970   45.270   15.854   81.302   7.9366  168.575   37.296  247.826   12.363 -79.25117 39.29182 
1 1 1   16   11    4 o  246.679   9.0931   79.766   5.8103   73.190   17.066   80.628   6.1794  221.865   30.502  247.830   9.6260 -25.96471 31.98520 
1 1 1   16   11    5 o  130.395   36.284   27.300   12.704   0.0000   0.0000   27.300   12.704  ?   ?   130.395   36.284 0.000000 36.28350 
1 1 1   16   11    6 o   77.430   32.578   4.3700   11.109   0.0000   0.0000   4.3700   11.109  ?   ?    77.430   32.578 0.000000 32.57803 
1 1 1   16   11    7 o   86.064   30.253   10.488   8.3601   4.1140   12.229   16.080   11.455   79.271   33.801  102.296   35.443 -23.02516 48.97655 
1 1 1   16   11    8 o  169.051   22.181   40.430   9.4784   33.890   13.644   46.530   13.177  144.579   36.443  175.804   30.014 -31.22549 47.21169 
1 1 1   16   11    9 o  142.911   9.8697   26.998   3.6312   36.590   13.713   26.275   3.7656  150.692   35.684  140.819   10.397 9.872864 37.16741 
1 1 1   16   11   10 f  126.327   15.199   21.747   4.8736 -10.1900   13.695   26.378   5.2150   64.985   30.741  139.509   14.650 -74.52422 34.05321 
1 1 1   16   11   11 o  270.267   10.297   96.363   7.2087   84.680   11.621  103.671   9.1907  248.033   18.215  278.993   12.718 -30.96049 22.21516 
1 1 1   16   11   12 o  272.444   11.626   98.486   8.2046   79.300   11.842  116.200   11.378  238.896   19.301  293.257   15.029 -54.36110 24.46237 
1 1 1   16   11   13 o  101.954   16.809   14.482   4.2843   15.270   7.2546   14.060   5.3090  100.018   27.257   98.446   21.427 1.572601 34.67118 
1 1 1   16   11   14 o  157.150   13.663   33.356   5.5062   36.250   8.6577   31.390   7.1352  159.285   21.536  149.731   18.812 9.553925 28.59513 
1 1 1   16   11   15 o   82.063   17.876   9.5872   3.6924   12.700   7.9801   8.7392   4.1650   90.766   29.573   77.566   20.442 13.19982 35.95011 
1 1 1   16   11   16 o  176.382   12.654   41.814   5.7431   0.0000   0.0000   41.814   5.7431  ?   ?   176.382   12.654 0.000000 12.65439 
1 1 1   16   11   17 f  160.242   12.122   34.481   4.9943   7.5840   9.1997   45.720   5.9469   77.645   30.765  184.422   12.523 -106.7769 33.21606 
1 1 1   16   11   18 o   55.392   20.177   3.8171   3.7550   2.5020   7.5991   4.2420   4.3191   62.968   26.742   58.461   21.585 4.507423 34.36688 
1 1 1   16   11   19 f   92.842   17.663   12.302   4.0925  -0.5194   8.2325   16.511   4.7166   59.044   26.372  108.007   17.454 -48.96280 31.62494 
1 1 1   16   11   20 o   84.782   19.079   10.490   4.0888   25.430   8.5347   6.0391   4.6581  127.683   26.665   65.458   22.606 62.22549 34.95818 
1 1 1   16   11   21 o   69.385   21.251   7.1297   4.1787   13.250   8.3958   5.1144   4.8178   89.686   30.365   62.066   22.817 27.61984 37.98181 
1 1 1   16   11   22 o   81.185   22.036   10.054   4.7528   11.600   9.9018   9.5910   5.4177   84.633   32.369   78.628   24.216 6.004204 40.42458 
1 1 1   16   11   23 o   57.981   21.994   4.2469   4.5484   3.3360   9.4500   4.5215   5.1890   66.911   29.129   60.293   23.335 6.617691 37.32278 
1 1 1   16   11   24 o   62.844   23.150   5.5199   4.9631   4.3070   9.9525   5.9214   5.7258   68.925   29.949   65.256   24.696 3.669868 38.81801 
1 1 1   16   11   25 o   52.183   21.796   2.1617   4.9165   3.4900   9.9547   1.7331   5.6543   67.037   29.520   53.490   22.901 13.54728 37.36130 
1 1 1   16   11   26 o   35.753   17.881 -15.9354   6.9128   0.0000   0.0000 -15.9354   6.9128  ?   ?    35.753   17.881 0.000000 17.88078 
1 1 1   16   11   27 o  183.673   14.124   47.163   6.6680   38.610   13.071   50.172   7.7528  139.784   35.908  187.419   16.127 -47.63536 39.36327 
1 1 1   16   11   28 f  124.901   26.711   26.346   8.3801   14.390   12.002   37.720   11.706   85.035   34.632  142.232   32.487 -57.19688 47.48441 
1 1 1   16   11   29 o   66.445   24.430   6.9776   5.5232   8.2260   10.603   6.5126   6.4705   72.795   31.267   65.744   25.880 7.050850 40.58830 
1 1 1   16   11   30 o   64.844   24.219   6.6776   5.4681   6.5080   10.837   6.7355   6.3336   69.145   30.606   65.539   25.664 3.605774 39.94173 
1 1 1   16   11   31 o   52.504   23.753   0.5840   6.9221   16.750   12.769  -6.1434   8.2374   83.591   35.036   47.349   22.787 36.24212 41.79449 
1 1 1   16   12    0 o  300.005   10.743  118.656   8.3486  115.000   18.718  119.564   9.3278  282.876   25.830  300.506   11.983 -17.62949 28.47459 
1 1 1   16   12    1 o  210.691   11.497   58.837   6.2507   41.100   15.493   62.285   6.8313  158.605   38.173  216.470   12.233 -57.86536 40.08516 
1 1 1   16   12    2 o  222.190   11.982   65.551   6.8708   0.0000   0.0000   65.551   6.8708  ?   ?   222.190   11.982 0.000000 11.98237 
1 1 1   16   12    3 o   89.296   16.573   11.076   3.6923   0.0000   0.0000   11.076   3.6923  ?   ?    89.296   16.573 0.000000 16.57327 
1 1 1   16   12    4 f   78.790   16.840   8.6925   3.3326   0.0000   0.0000   8.6925   3.3326  ?   ?    78.790   16.840 0.000000 16.83954 
1 1 1   16   12    5 o  115.515   13.244   17.985   3.8912   0.0000   0.0000   17.985   3.8912  ?   ?   115.515   13.244 0.000000 13.24365 
1 1 1   16   12    6 o  145.507   11.773   28.221   4.3995   0.0000   0.0000   28.221   4.3995  ?   ?   145.507   11.773 0.000000 11.77343 
1 1 1   16   12    7 o   83.532   15.028   9.6358   3.1321   0.0000   0.0000   9.6358   3.1321  ?   ?    83.532   15.028 0.000000 15.02801 
1 1 1   16   12    8 o  157.875   11.556   33.192   4.6930   0.0000   0.0000   33.192   4.6930  ?   ?   157.875   11.556 0.000000 11.55624 
1 1 1   16   12    9 o  115.187   19.072   18.680   5.4913   0.0000   0.0000   18.680   5.4913  ?   ?   115.187   19.072 0.000000 19.07162 
1 1 1   16   12   10 o  160.372   12.193   34.396   5.0274   33.350   7.3626   35.310   6.8813  154.656   18.763  160.273   16.826 -5.617767 25.20258 
1 1 1   16   12   11 o  182.022   10.862   44.009   5.0982   30.108   7.4637   56.168   6.9804  145.847   20.307  204.511   13.248 -58.66380 24.24659 
1 1 1   16   12   12 o  141.671   12.339   26.944   4.4829   29.879   6.7355   24.610   6.0065  146.389   18.152  132.811   17.917 13.57800 25.50528 
1 1 1   16   12   13 o  169.452   10.839   38.203   4.7327   35.000   9.3338   39.311   5.4909  154.475   24.114  171.176   12.469 -16.70021 27.14754 
1 1 1   16   12   14 o  254.991   9.7112   85.842   6.4143   70.460   12.165   91.765   7.5489  222.300   21.390  262.886   11.086 -40.58633 24.09251 
1 1 1   16   12   15 o   77.694   19.073   8.7257   3.8100  -1.1370   7.5266   12.124   4.4179   56.194   25.149   91.791   19.198 -35.59652 31.63932 
1 1 1   16   12   16 o   91.124   26.706   12.845   6.7105   0.0000   0.0000   12.845   6.7105  ?   ?    91.124   26.706 0.000000 26.70581 
1 1 1   16   12   17 o  186.641   11.124   46.550   5.3536   26.390   10.343   53.928   6.2571  126.776   31.606  200.372   12.112 -73.59564 33.84746 
1 1 1   16   12   18 o   54.474   20.058   3.6522   3.7254   0.0459   7.5188   4.8256   4.2888   57.675   25.513   60.365   21.621 -2.689739 33.44189 
1 1 1   16   12   19 o   63.133   20.900   5.6666   3.9802  -7.1210   7.9502   9.9436   4.5978   48.648   23.131   81.470   21.481 -32.82183 31.56723 
1 1 1   16   12   20 o  170.649   12.397   39.458   5.4425   14.650   10.443   48.708   6.3770   92.514   33.656  189.213   13.091 -96.69904 36.11239 
1 1 1   16   12   21 o  196.930   13.000   52.858   6.5942   34.360   11.330   62.333   8.1091  142.247   31.573  212.352   14.836 -70.10539 34.88517 
1 1 1   16   12   22 o   98.476   19.829   14.418   4.8832   17.560   10.277   13.502   5.5497   98.068   33.592   93.165   23.109 4.902969 40.77336 
1 1 1   16   12   23 o   90.430   21.830   12.614   5.0553   14.940   10.322   11.880   5.7984   90.579   33.382   85.978   24.718 4.600891 41.53738 
1 1 1   16   12   24 o  120.115   18.893   21.272   5.6842   14.110   11.172   23.774   6.6029   87.478   34.132  125.316   21.090 -37.83831 40.12186 
1 1 1   16   12   25 o   40.367   19.300  -5.6783   5.6948   0.0000   0.0000  -5.6783   5.6948  ?   ?    40.367   19.300 0.000000 19.29978 
1 1 1   16   12   26 o   40.071   19.317  -6.7814   5.9797  -8.2650   9.7473  -5.8861   7.5721   51.269   24.703   47.105   22.447 4.164341 33.37797 
1 1 1   16   12   27 f  136.680   24.640   30.348   8.4026   21.100   12.194   38.710   11.595   98.284   36.272  145.302   31.699 -47.01755 48.17183 
1 1 1   16   12   28 o   65.559   24.550   6.6762   5.6263   8.0730   11.106   6.1940   6.5256   72.944   31.666   64.979   25.859 7.965057 40.88312 
1 1 1   16   12   29 o  109.499   22.747   19.499   6.2409   24.390   12.964   18.023   7.1203  100.170   37.315  100.769   26.810 -0.5988541 45.94709 
1 1 1   16   12   30 o   64.809   24.914   6.8068   5.8846   5.7960   12.108   7.1194   6.7334   68.175   31.067   66.103   26.279 2.071732 40.69097 
1 1 1   16   13    0 o  299.503   10.991  118.571   8.5268   98.680   18.738  123.766   9.5757  257.779   28.541  305.336   12.107 -47.55713 31.00293 
1 1 1   16   13    1 o  129.402   13.486   22.577   4.4539   19.720   13.998   22.899   4.6980  109.709   39.085  130.067   14.174 -20.35884 41.57547 
1 1 1   16   13    2 o  145.749   12.276   28.407   4.5915   29.710   14.287   28.257   4.8487  132.194   39.031  145.070   13.043 -12.87616 41.15257 
1 1 1   16   13    3 o  137.889   12.574   25.489   4.4418   22.020   14.254   25.862   4.6746  114.420   39.542  138.676   13.171 -24.25629 41.67823 
1 1 1   16   13    4 o  178.056   14.471   42.813   6.6167   16.690   15.030   49.093   7.3693  103.541   39.813  190.423   15.063 -86.88270 42.56697 
1 1 1   16   13    5 o  201.904   10.411   53.948   5.4261   30.200   15.840   57.105   5.7755  130.586   41.583  207.585   10.778 -76.99948 42.95694 
1 1 1   16   13    6 o  147.723   12.248   29.210   4.6444   0.0000   0.0000   29.210   4.6444  ?   ?   147.723   12.248 0.000000 12.24805 
1 1 1   16   13    7 f  213.568   10.671   60.314   5.9033   0.0000   0.0000   60.314   5.9033  ?   ?   213.568   10.671 0.000000 10.67105 
1 1 1   16   13    8 o  168.515   14.128   38.396   6.1101   26.020   15.002   40.857   6.6901  121.266   40.592  173.385   15.045 -52.11870 43.29045 
1 1 1   16   13    9 o  178.787   11.236   42.561   5.1770   36.317   8.0122   47.036   6.7832  160.650   19.664  186.532   14.144 -25.88147 24.22282 
1 1 1   16   13   10 o  135.636   13.438   24.889   4.6592   23.894   7.3508   25.558   6.0239  127.880   23.039  135.485   17.579 -7.605042 28.97928 
1 1 1   16   13   11 o   57.053   20.308   4.1507   3.7785   6.9605   6.2616   2.5417   4.7384   71.786   26.069   54.397   21.901 17.38953 34.04814 
1 1 1   16   13   12 o  121.617   13.918   20.150   4.3057   14.745   6.3734   24.688   5.8398   98.728   24.920  133.062   17.357 -34.33395 30.36860 
1 1 1   16   13   13 o   83.576   19.000   10.076   4.0201   1.8218   6.3017   15.740   5.2203   57.778   24.435  104.485   20.017 -46.70782 31.58708 
1 1 1   16   13   14 o  231.462   16.861   74.041   10.039   0.0000   0.0000   74.041   10.039  ?   ?   231.462   16.861 0.000000 16.86076 
1 1 1   16   13   15 o  197.487   14.026   53.006   7.1283   35.020   11.162   65.393   9.2633  148.323   30.081  217.479   16.568 -69.15604 34.34249 
1 1 1   16   13   16 o  164.854   12.127   36.601   5.1422   28.260   9.7212   39.842   6.0593  133.342   28.973  171.092   13.789 -37.75006 32.08726 
1 1 1   16   13   17 o   97.616   17.503   13.590   4.2632   14.760   9.1715   13.267   4.8150   94.331   31.737   95.079   20.175 -0.7476730 37.60704 
1 1 1   16   13   18 o  125.116   14.181   21.562   4.5146   14.870   8.9157   23.870   5.2354   94.244   31.285  130.826   15.767 -36.58134 35.03354 
1 1 1   16   13   19 o  259.113   9.9913   89.350   6.7060   63.200   12.850   99.136   7.8613  203.443   24.905  272.037   11.156 -68.59372 27.28941 
1 1 1   16   13   20 o  123.498   15.376   21.368   4.8121   20.540   9.7534   21.635   5.5323  107.780   32.350  122.678   17.940 -14.89748 36.99124 
1 1 1   16   13   21 o   58.439   22.024   4.4179   4.5419   5.5290   9.6465   4.1014   5.1483   70.867   30.115   58.779   23.102 12.08829 37.95479 
1 1 1   16   13   22 o   72.847   22.484   8.2252   4.6675   3.0000   9.8367   9.7436   5.3025   66.350   29.274   78.360   23.928 -12.01006 37.80894 
1 1 1   16   13   23 o   55.786   22.293   3.5148   4.8694   15.070   9.9468  -0.1274   5.5844   90.038   32.832   49.097   21.839 40.94093 39.43252 
1 1 1   16   13   24 o  119.166   18.817   21.065   5.6155   18.230   11.235   22.009   6.4834   95.232   34.868  119.411   21.763 -24.17915 41.10243 
1 1 1   16   13   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   26 o   86.897   26.642   13.108   6.5659   2.8390   11.476   18.105   8.0055   66.634   30.319   99.864   29.141 -33.22953 42.05259 
1 1 1   16   13   27 o  105.894   22.813   18.103   6.0728   17.030   11.858   18.485   7.0703   88.697   34.997  103.449   26.321 -14.75178 43.79004 
1 1 1   16   13   28 o  116.721   20.756   21.362   6.0455   20.620   13.167   21.560   6.8053   92.297   36.731  114.198   23.779 -21.90122 43.75579 
1 1 1   16   13   29 o   53.124   22.839   2.4671   5.6660   11.580   11.978  -0.1599   6.4310   76.138   32.969   50.037   22.739 26.10149 40.05043 
1 1 1   16   13   30 o   99.327   38.153   27.690   13.794   27.690   13.794   0.0000   0.0000   99.327   38.153  ?   ?  0.000000 38.15280 
1 1 1   16   14    0 o  126.195   17.842   22.201   5.6696   49.150   14.843   17.598   6.1347  175.293   33.916  109.968   22.300 65.32449 40.58998 
1 1 1   16   14    1 o  187.695   14.636   47.713   7.0594   66.270   16.025   43.245   7.8635  207.446   30.753  177.075   17.367 30.37099 35.31860 
1 1 1   16   14    2 o  277.661   10.034  101.747   7.2165   57.600   17.351  110.982   7.9354  186.452   37.229  289.688   10.575 -103.2362 38.70166 
1 1 1   16   14    3 o  137.561   13.192   25.525   4.6429   16.140   13.983   26.688   4.9222  100.925   38.497  140.468   13.702 -39.54298 40.86309 
1 1 1   16   14    4 o  185.562   11.011   45.783   5.2690   51.290   15.930   45.106   5.5833  176.620   36.040  183.836   11.787 -7.216278 37.91842 
1 1 1   16   14    5 o  176.922   11.451   41.732   5.2196   37.020   15.967   42.296   5.5231  143.852   40.908  177.841   12.061 -33.98859 42.64889 
1 1 1   16   14    6 o  173.537   11.254   40.133   5.0315   35.110   14.644   40.805   5.3576  141.971   38.742  174.697   11.911 -32.72562 40.53153 
1 1 1   16   14    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14    8 o  108.391   16.557   16.368   4.5011   18.499   7.2340   15.022   5.7497  110.422   25.763  100.918   22.562 9.504242 34.24548 
1 1 1   16   14    9 o   49.918   19.632   2.3600   3.7203  -9.0328   6.4972   7.9174   4.5378   41.167   19.917   73.651   22.057 -32.48353 29.71817 
1 1 1   16   14   10 o  210.032   10.954   58.743   5.9390   52.512   8.9937   63.561   7.9087  194.021   18.104  216.529   14.179 -22.50854 22.99591 
1 1 1   16   14   11 o  219.621   10.818   64.064   6.1541   62.814   9.1438   65.099   8.3207  213.315   16.681  218.618   14.780 -5.303329 22.28715 
1 1 1   16   14   12 o  173.128   11.973   40.236   5.3366   29.035   7.8542   49.842   7.2733  140.972   22.247  191.047   14.813 -50.07512 26.72741 
1 1 1   16   14   13 o  126.072   27.855   24.886   8.8540   25.330   11.780   24.310   13.423  120.663   35.389  115.490   38.390 5.172760 52.21274 
1 1 1   16   14   14 o   48.125   20.323   1.0434   4.3490  -0.5199   7.8446   1.7371   5.2255   57.795   25.784   53.443   22.407 4.351414 34.15969 
1 1 1   16   14   15 o   60.502   20.785   5.0370   3.9352  -3.0420   8.0684   7.5588   4.5077   54.435   25.013   71.507   22.100 -17.07197 33.37740 
1 1 1   16   14   16 o   96.741   17.432   13.376   4.2075  -5.0890   7.9907   20.460   4.9491   51.212   23.991  120.800   16.227 -69.58798 28.96373 
1 1 1   16   14   17 o   86.265   19.496   10.968   4.2539   2.3470   8.7338   13.649   4.8707   64.509   28.043   96.088   20.210 -31.57928 34.56648 
1 1 1   16   14   18 o   79.368   20.638   9.4696   4.2827   3.4110   8.8913   11.300   4.8869   66.388   28.577   86.161   21.861 -19.77270 35.97959 
1 1 1   16   14   19 o  105.977   17.452   16.175   4.6239   5.4980   9.2235   19.759   5.3440   70.432   29.662  116.812   18.259 -46.38081 34.83123 
1 1 1   16   14   20 o   88.338   21.281   11.940   4.8119   9.2830   9.8227   12.779   5.5196   78.102   31.503   90.095   23.431 -11.99331 39.26101 
1 1 1   16   14   21 o   58.477   22.625   4.3270   4.8771 -14.2600   9.9379   10.224   5.5976   47.442   23.312   79.701   24.626 -32.25817 33.91034 
1 1 1   16   14   22 o   74.393   23.322   8.7905   4.9999   9.8550   10.432   8.4730   5.6970   78.210   32.119   72.888   25.010 5.322021 40.70791 
1 1 1   16   14   23 o   53.312   22.089   2.6554   4.9922 -17.9500   10.300   8.9825   5.7074   45.467   22.591   74.272   25.036 -28.80577 33.72175 
1 1 1   16   14   24 o   89.862   33.516   16.090   10.465   0.0000   0.0000   16.090   10.465  ?   ?    89.862   33.516 0.000000 33.51567 
1 1 1   16   14   25 o   48.191   21.268   0.4599   5.1952 -20.9000   9.9659   8.4303   6.0877   42.343   21.219   71.500   25.743 -29.15725 33.36109 
1 1 1   16   14   26 o   67.011   24.232   7.2048   5.4018  -3.9260   11.123   10.640   6.1794   57.649   27.396   78.253   26.049 -20.60389 37.80339 
1 1 1   16   14   27 o  131.553   19.764   26.666   6.5266   26.410   13.182   26.750   7.5121  103.478   37.786  127.651   23.588 -24.17319 44.54424 
1 1 1   16   14   28 o   79.547   25.073   11.202   5.7704   2.4910   11.207   14.345   6.7313   63.203   29.199   88.198   26.964 -24.99577 39.74490 
1 1 1   16   14   29 o   59.187   23.977   5.1207   5.7166 -13.2600   12.506   9.9753   6.4273   51.240   25.361   73.369   26.447 -22.12828 36.64171 
1 1 1   16   15    0 o  122.884   14.899   20.707   4.6455   17.740   13.478   21.107   4.9487  102.808   38.097  123.659   15.811 -20.85101 41.24744 
1 1 1   16   15    1 o  242.480   10.548   77.904   6.6249   74.240   17.478   78.518   7.1592  216.505   32.140  242.990   11.374 -26.48470 34.09363 
1 1 1   16   15    2 o  133.596   17.259   24.865   5.8330   19.850   12.899   26.154   6.5400  107.473   37.589  136.042   19.084 -28.56913 42.15569 
1 1 1   16   15    3 f  172.952   14.718   40.741   6.5307   38.080   14.258   41.448   7.3468  148.985   37.089  173.342   16.564 -24.35706 40.62010 
1 1 1   16   15    4 o  109.335   30.389   19.162   8.9164   5.6780   12.572   32.810   12.648   79.833   34.162  139.792   35.007 -59.95962 48.91333 
1 1 1   16   15    5 o   55.471   22.580   2.5254   5.0986  -0.1882   13.250   2.9971   5.5239   72.912   32.936   58.187   23.570 14.72530 40.50090 
1 1 1   16   15    6 o  179.919   15.503   44.368   7.1544   16.760   15.964   51.306   8.0030  100.734   40.326  193.115   16.147 -92.38096 43.43891 
1 1 1   16   15    7 o  337.207   11.003  151.173   9.6111  163.300   16.452  144.890   11.842  341.915   18.646  327.560   13.957 14.35535 23.29103 
1 1 1   16   15    8 o  127.627   17.047   22.769   5.4948   8.3300   9.4655   30.108   6.7483   79.398   31.286  146.304   18.200 -66.90583 36.19515 
1 1 1   16   15    9 f  101.272   18.939   14.718   4.7855   15.180   7.5582   14.408   6.1825   97.946   28.239   97.291   24.537 0.6554031 37.40959 
1 1 1   16   15   10 o   72.912   29.572   6.0651   8.7068   4.4390   12.371   7.6610   12.256   76.663   33.351   81.570   34.264 -4.907288 47.81538 
1 1 1   16   15   11 f  131.561   27.094   26.886   8.9257   42.990   12.492   10.090   12.758  163.758   30.574   86.008   35.444 77.74998 46.80909 
1 1 1   16   15   12 o   80.004   21.023   9.5049   4.4137   18.693   6.6832   2.3979   5.8779  111.067   23.936   57.261   23.867 53.80606 33.80139 
1 1 1   16   15   13 o   44.468   19.134   0.3624   3.9833   0.6416   6.1928   0.1654   5.2022   54.196   23.587   49.394   21.555 4.802452 31.95234 
1 1 1   16   15   14 o   45.005   19.436   0.3107   4.1406   0.2847   6.4558   0.3288   5.3970   54.253   23.834   50.432   21.983 3.820251 32.42381 
1 1 1   16   15   15 o   73.820   21.022   8.1528   4.2133   1.2300   8.1370   10.689   4.9249   61.000   26.779   83.839   22.292 -22.83860 34.84371 
1 1 1   16   15   16 o   93.205   19.312   12.780   4.5091   18.060   8.4207   10.657   5.3391  103.578   29.790   82.882   23.685 20.69569 38.05876 
1 1 1   16   15   17 o  106.527   17.657   16.356   4.7015   14.080   9.2699   17.145   5.4552   90.268   31.844  107.413   20.352 -17.14542 37.79191 
1 1 1   16   15   18 o   63.404   22.477   5.7664   4.6241   11.270   9.7295   4.1605   5.2556   82.602   31.957   59.171   23.314 23.43023 39.55749 
1 1 1   16   15   19 o   56.098   21.871   3.7715   4.5846   1.2060   9.5073   4.5488   5.2332   62.869   28.192   60.019   23.377 2.850475 36.62297 
1 1 1   16   15   20 o   67.387   23.319   6.9248   4.9580   1.2470   10.016   8.7678   5.7062   63.535   28.674   74.071   25.033 -10.53642 38.06351 
1 1 1   16   15   21 o   68.009   23.368   7.1780   4.9744  -9.2010   10.135   12.375   5.7093   51.667   24.967   86.997   24.366 -35.33031 34.88624 
1 1 1   16   15   22 o  143.440   21.773   31.809   7.8356   25.250   11.751   37.060   10.514  109.912   35.890  146.745   28.688 -36.83305 45.94672 
1 1 1   16   15   23 o  116.935   26.706   23.280   7.9118   2.1620   11.672   41.230   10.761   66.055   30.253  155.444   27.744 -89.38898 41.04863 
1 1 1   16   15   24 o   95.159   30.686   17.364   8.6055   0.0000   0.0000   17.364   8.6055  ?   ?    95.159   30.686 0.000000 30.68582 
1 1 1   16   15   25 o   81.501   25.006   11.432   5.7830   14.740   11.375   10.279   6.7158   83.804   33.866   76.253   27.082 7.550644 43.36283 
1 1 1   16   15   26 o   42.402   19.829  -2.8176   5.4168   0.9827   11.620  -3.8727   6.1227   62.713   29.231   43.548   20.586 19.16521 35.75285 
1 1 1   16   15   27 o   46.317   21.037  -0.5230   5.4947   9.5770   11.655  -3.4092   6.2305   72.676   31.974   44.268   20.877 28.40810 38.18631 
1 1 1   16   15   28 o   91.583   24.965   15.011   6.0846  -3.6000   12.681   20.577   6.9352   58.183   28.070  107.733   25.286 -49.54987 37.77928 
1 1 1   16   16    0 o  150.932   14.073   31.062   5.4387   22.600   15.689   32.218   5.7983  110.103   41.042  153.348   14.780 -43.24531 43.62236 
1 1 1   16   16    1 o  104.748   18.229   15.623   4.7664   29.930   14.833   13.976   5.0333  126.452   40.236   97.821   20.519 28.63127 45.16635 
1 1 1   16   16    2 o  194.907   11.549   50.859   5.8047   41.160   14.524   52.702   6.3324  153.783   36.926  197.923   12.414 -44.14003 38.95739 
1 1 1   16   16    3 o  185.098   11.636   45.913   5.5504   39.040   14.132   47.166   6.0354  149.733   36.718  187.124   12.524 -37.39104 38.79473 
1 1 1   16   16    4 o  126.358   14.471   21.914   4.6509   32.480   11.906   20.011   5.0524  139.343   33.417  119.549   16.777 19.79377 37.39204 
1 1 1   16   16    5 o   65.006   24.460   5.3701   5.5979   14.730   14.489   3.7278   6.0692   95.471   38.348   61.406   24.765 34.06494 45.64917 
1 1 1   16   16    6 o   57.957   22.356   3.8093   4.7503  -2.5970   7.4520   8.1941   6.1652   53.160   24.282   74.850   25.998 -21.68927 35.57402 
1 1 1   16   16    7 o  102.757   19.396   15.267   4.9733   7.3397   7.8090   20.676   6.4507   74.202   28.652  118.482   21.823 -44.27994 36.01592 
1 1 1   16   16    8 o  243.834   12.017   79.696   7.5898   67.900   12.462   86.651   9.5691  215.183   22.701  251.757   14.738 -36.57370 27.06528 
1 1 1   16   16    9 o  143.365   14.099   28.150   5.1681   29.222   7.4812   27.171   7.1479  141.651   21.027  136.637   20.857 5.013962 29.61680 
1 1 1   16   16   10 o  138.598   14.312   26.394   5.0643   24.309   7.3309   28.298   7.0044  127.451   23.054  140.043   19.866 -12.59122 30.43273 
1 1 1   16   16   11 o  154.174   13.283   32.392   5.2528   24.212   7.7577   39.318   7.1382  125.777   24.693  167.674   16.656 -41.89748 29.78476 
1 1 1   16   16   12 o  180.154   12.008   43.818   5.5714   41.084   8.3199   46.042   7.5019  169.109   19.341  181.809   16.096 -12.69968 25.16269 
1 1 1   16   16   13 o  125.517   15.137   21.938   4.8221   12.541   7.1201   29.900   6.5540   88.008   27.863  144.929   17.835 -56.92099 33.08222 
1 1 1   16   16   14 o   60.548   21.638   5.0296   4.2932  -1.8098   6.3224   10.882   5.8483   49.524   22.522   83.094   25.075 -33.56972 33.70441 
1 1 1   16   16   15 f   91.687   19.402   12.450   4.4642   6.4721   6.6218   17.430   6.0442   68.615   26.415  106.774   22.560 -38.15837 34.73779 
1 1 1   16   16   16 o  128.784   15.291   23.291   5.0011   10.970   9.6377   27.832   5.8504   81.926   31.775  140.093   16.434 -58.16740 35.77347 
1 1 1   16   16   17 o   70.653   21.981   7.6661   4.4511   7.5020   8.8078   7.7224   5.1583   73.050   29.700   70.751   23.801 2.298996 38.06072 
1 1 1   16   16   18 o   83.543   22.274   10.960   4.9081   8.2270   10.106   11.804   5.6147   75.239   31.322   85.495   24.240 -10.25612 39.60572 
1 1 1   16   16   19 o   70.721   23.485   7.8845   5.0240   6.3600   10.511   8.3359   5.7197   71.727   30.972   72.246   25.044 -0.5189209 39.83031 
1 1 1   16   16   20 o  148.155   21.001   33.506   7.8338   25.830   11.626   39.890   10.602  112.002   35.619  153.939   27.602 -41.93674 45.06261 
1 1 1   16   16   21 o   55.105   24.130   1.6730   6.5694   8.5510   10.334  -2.9920   8.5105   74.041   31.301   53.148   24.854 20.89350 39.96809 
1 1 1   16   16   22 o   73.333   24.326   8.9193   5.3907   4.4030   10.629   10.483   6.2549   67.073   29.961   77.976   26.210 -10.90281 39.80730 
1 1 1   16   16   23 o   90.071   31.786   16.259   9.2373   0.0000   0.0000   16.259   9.2373  ?   ?    90.071   31.786 0.000000 31.78638 
1 1 1   16   16   24 o   79.384   24.638   10.845   5.5960   3.5940   10.934   13.419   6.5137   65.216   29.643   86.588   26.534 -21.37258 39.78353 
1 1 1   16   16   25 o   87.570   25.587   13.612   6.1684   0.6863   12.413   17.850   7.1083   63.130   29.679   99.305   26.947 -36.17511 40.08688 
1 1 1   16   16   26 o   68.718   25.087   8.2059   5.8098   7.0070   12.099   8.5651   6.6233   68.957   31.281   69.529   26.501 -0.5720901 40.99776 
1 1 1   16   16   27 o   49.770   22.119   1.2001   5.7158  -9.9200   11.103   5.2098   6.6671   50.348   24.720   60.237   25.286 -9.888927 35.36139 
1 1 1   16   16   28 o   62.079   26.172   6.2122   7.1936   6.8770   13.421   5.9442   8.5210   66.800   31.230   62.563   27.436 4.236557 41.56965 
1 1 1   16   17    0 o  118.318   16.658   19.680   4.9641  -0.1788   15.620   21.912   5.2355   75.667   34.781  124.980   16.582 -49.31255 38.53175 
1 1 1   16   17    1 o  196.723   11.917   52.071   6.0440   57.010   16.645   51.321   6.4868  180.253   36.892  194.650   12.939 -14.39676 39.09492 
1 1 1   16   17    2 o  105.145   18.219   15.838   4.7822   20.830   13.310   15.098   5.1244  106.230   38.084  101.542   20.193 4.688309 43.10644 
1 1 1   16   17    3 o  146.815   13.911   29.493   5.2271   27.350   14.120   29.833   5.6268  119.680   39.354  147.050   14.981 -27.37070 42.10941 
1 1 1   16   17    4 o  155.690   16.913   33.963   6.7111   46.570   14.181   30.324   7.6181  165.413   34.226  144.184   21.016 21.22937 40.16311 
1 1 1   16   17    5 o   41.686   18.868  -1.5977   4.3735  -4.4105   6.5547   0.6594   5.8717   46.745   21.844   53.025   23.022 -6.279301 31.73611 
1 1 1   16   17    6 o  160.460   13.892   35.224   5.7173   30.461   8.4368   39.269   7.7746  142.257   23.732  166.312   18.353 -24.05479 30.00029 
1 1 1   16   17    7 o   53.168   21.109   2.8238   4.3393   1.1710   6.2698   4.3434   6.0117   55.418   23.925   62.370   24.820 -6.951809 34.47370 
1 1 1   16   17    8 o   60.415   22.432   4.7190   4.6775  -0.5339   7.2849   8.4038   6.1014   55.437   24.781   74.766   25.869 -19.32937 35.82343 
1 1 1   16   17    9 o  108.657   19.383   17.202   5.2553   10.670   8.1784   21.795   6.8587   82.247   29.805  120.171   22.869 -37.92358 37.56762 
1 1 1   16   17   10 o  179.622   12.800   43.878   5.9164   31.641   8.4542   55.623   8.2827  144.688   23.353  199.605   16.158 -54.91702 28.39770 
1 1 1   16   17   11 o  173.914   12.753   41.179   5.7049   29.748   8.1884   51.963   7.9528  139.928   23.419  192.792   16.071 -52.86464 28.40326 
1 1 1   16   17   12 o   48.280   20.268   1.3992   4.2844   6.0396   6.3699  -2.4341   5.7896   67.108   25.887   46.233   21.223 20.87524 33.47500 
1 1 1   16   17   13 o  105.520   17.499   16.062   4.6154   11.562   6.7200   20.081   6.3500   84.181   27.114  114.980   22.124 -30.79832 34.99449 
1 1 1   16   17   14 o  155.353   13.737   33.338   5.4708   26.008   7.7851   40.489   7.6896  129.100   24.169  167.749   17.977 -38.64882 30.12124 
1 1 1   16   17   15 o  126.381   16.263   22.762   5.2005   17.902   7.4145   27.467   7.2962  103.523   27.270  134.593   21.663 -31.06976 34.82723 
1 1 1   16   17   16 o   51.949   21.965   1.8972   5.0901   10.160   8.6258  -2.5173   6.3049   78.364   30.154   47.510   21.932 30.85408 37.28619 
1 1 1   16   17   17 o  195.120   12.478   52.278   6.2736   34.670   11.959   58.963   7.3688  135.237   34.136  205.874   13.899 -70.63725 36.85772 
1 1 1   16   17   18 o  118.174   24.748   22.730   7.3328   7.8590   11.001   34.620   9.8367   74.010   31.821  143.292   27.502 -69.28252 42.05857 
1 1 1   16   17   19 o  106.870   25.965   19.289   7.1167   5.1780   10.775   30.210   9.4787   68.957   30.520  131.546   28.630 -62.58977 41.84726 
1 1 1   16   17   20 o   98.477   22.027   15.474   5.4780   16.650   11.087   15.094   6.3009   89.111   34.210   94.262   25.284 -5.150597 42.53953 
1 1 1   16   17   21 o   35.815   17.384  -6.6092   5.0533  -7.2640   9.7817  -6.3709   5.9019   51.308   24.728   39.772   19.178 11.53573 31.29302 
1 1 1   16   17   22 o  122.844   31.153   28.897   9.9275   0.0000   0.0000   28.897   9.9275  ?   ?   122.844   31.153 0.000000 31.15305 
1 1 1   16   17   23 o   72.481   24.901   9.0700   5.6484   25.200   11.291   3.6853   6.5235  105.659   35.212   57.947   24.698 47.71201 43.01030 
1 1 1   16   17   24 o   63.402   24.600   6.3995   5.7779   11.660   11.370   4.5679   6.7088   75.892   32.482   59.770   25.241 16.12213 41.13631 
1 1 1   16   17   25 o   44.760   20.735  -1.6720   5.7080  -2.7960   11.827  -1.3307   6.5173   57.755   27.666   47.898   22.177 9.857368 35.45746 
1 1 1   16   17   26 o   89.790   25.605   14.891   6.2465  -1.4110   12.464   20.359   7.2185   59.035   28.312  104.696   26.572 -45.66076 38.82836 
1 1 1   16   17   27 o   52.425   22.840   2.7233   5.8197  -4.3200   12.274   4.7658   6.6099   55.440   26.951   58.113   24.817 -2.673176 36.63650 
1 1 1   16   18    0 o  162.068   13.524   35.940   5.6258   43.460   16.783   34.988   5.9712  146.628   42.023  159.168   14.647 -12.54034 44.50278 
1 1 1   16   18    1 o  121.888   16.585   20.981   5.1005   17.410   13.910   21.535   5.4823   97.237   38.045  122.802   17.750 -25.56441 41.98212 
1 1 1   16   18    2 o  108.822   17.890   17.004   4.8676   40.040   13.756   13.707   5.2043  149.122   36.016   95.419   21.564 53.70354 41.97832 
1 1 1   16   18    3 o   56.718   21.267   4.0114   4.2244   24.250   14.096   2.0142   4.4280  110.667   39.243   50.800   20.902 59.86707 44.46225 
1 1 1   16   18    4 o   93.155   21.598   13.099   5.1100   28.070   7.6045   0.7736   6.9000  137.066   22.176   56.359   24.703 80.70699 33.19637 
1 1 1   16   18    5 o   63.879   22.593   5.7481   4.6691   14.978   7.2129  -0.9088   6.1257   95.834   27.574   50.442   22.624 45.39122 35.66708 
1 1 1   16   18    6 o   89.048   20.990   11.934   4.7624   5.8359   6.8106   17.769   6.6618   67.499   26.557  106.652   24.614 -39.15321 36.20971 
1 1 1   16   18    7 o   59.760   21.908   4.7647   4.4372   6.4515   6.3618   3.1668   6.1919   68.392   25.996   59.268   24.582 9.123173 35.77788 
1 1 1   16   18    8 f  100.682   19.647   14.974   4.9400   8.0741   7.2514   20.950   6.7482   73.841   27.828  117.010   23.085 -43.16932 36.15676 
1 1 1   16   18    9 o   95.098   21.924   13.814   5.2899   4.3870   8.1781   20.596   6.9364   66.331   27.932  115.068   24.046 -48.73737 36.85709 
1 1 1   16   18   10 o   40.319   18.549  -2.2765   4.4548  -6.4736   6.3940   1.6825   6.2100   42.757   20.445   55.549   23.897 -12.79229 31.44888 
1 1 1   16   18   11 o   59.665   22.333   4.7371   4.6549   2.0495   6.5050   7.5576   6.6640   57.066   24.501   71.251   26.711 -14.18549 36.24619 
1 1 1   16   18   12 o  154.210   13.916   32.973   5.4988   22.769   7.7347   43.399   7.8188  118.713   25.883  173.775   17.613 -55.06297 31.30780 
1 1 1   16   18   13 o   82.922   22.209   10.773   4.8660   9.9438   6.9578   11.567   6.8077   77.828   27.574   83.053   27.326 -5.224747 38.82082 
1 1 1   16   18   14 o   74.193   24.212   8.8079   5.3483  -1.3170   9.4717   13.547   6.4803   58.626   26.999   89.929   26.212 -31.30249 37.62947 
1 1 1   16   18   15 o   79.578   26.633   10.673   6.4583   10.360   9.8328   10.910   8.5648   78.305   31.542   79.378   30.165 -1.073135 43.64402 
1 1 1   16   18   16 o   53.077   23.025   1.5777   5.8635  -0.0435   9.3732   2.6200   7.5156   59.375   27.163   59.457   25.928 -0.8199692E-01 37.55131 
1 1 1   16   18   17 o   68.614   25.910   7.4392   6.2940   1.7340   9.6323   11.690   8.3144   61.985   28.034   80.293   29.888 -18.30814 40.97793 
1 1 1   16   18   18 o  117.033   19.372   20.827   5.6673   0.6582   10.737   28.616   6.6726   62.126   28.659  137.578   19.251 -75.45169 34.52436 
1 1 1   16   18   19 o   60.478   23.572   5.2335   5.3240   14.240   10.651   2.2334   6.1471   83.358   33.079   54.506   23.610 28.85234 40.64058 
1 1 1   16   18   20 o   49.111   21.815   0.5857   5.5526  -2.5230   11.995   1.4335   6.2642   59.978   28.488   52.904   23.351 7.074245 36.83472 
1 1 1   16   18   21 o   72.908   29.701   9.6059   8.8298   0.0000   0.0000   9.6059   8.8298  ?   ?    72.908   29.701 0.000000 29.70060 
1 1 1   16   18   22 o   63.797   24.364   6.5508   5.6048   24.130   11.055   0.4693   6.5024  102.476   34.842   51.217   23.110 51.25932 41.80984 
1 1 1   16   18   23 o   38.129   18.348  -5.3155   5.3366   1.7530   10.617  -7.7049   6.1731   60.738   28.187   38.719   18.887 22.01914 33.92954 
1 1 1   16   18   24 o  104.850   22.763   18.590   6.0050   20.390   12.651   18.066   6.8225   87.254   35.549   99.075   26.188 -11.82116 44.15360 
1 1 1   16   18   25 o   54.287   23.480   3.2278   6.0614  -5.3500   12.382   5.9312   6.9513   55.267   26.913   61.394   25.797 -6.126770 37.28014 
1 1 1   16   18   26 o   45.584   21.107  -0.9265   5.9044  -1.9340   12.037  -0.6072   6.7755   56.528   27.290   48.454   22.497 8.073448 35.36786 
1 1 1   16   19    0 o   95.106   22.865   14.020   5.5634   0.0000   0.0000   14.020   5.5634  ?   ?    95.106   22.865 0.000000 22.86495 
1 1 1   16   19    1 o  246.152   14.112   83.483   8.9607   83.850   18.154   83.365   10.303  220.500   32.782  243.407   16.438 -22.90695 36.67225 
1 1 1   16   19    2 o  115.539   17.062   19.118   4.9526   18.190   13.878   19.253   5.3017   96.505   37.929  115.094   18.403 -18.58907 42.15765 
1 1 1   16   19    3 o   50.417   22.361  -0.1329   5.8129  -9.4400   15.242   1.4512   6.2881   64.449   31.012   55.312   23.919 9.137131 39.16451 
1 1 1   16   19    4 o   92.004   22.541   13.108   5.3297   11.383   8.1897   14.375   7.0195   82.798   29.853   93.147   27.318 -10.34859 40.46544 
1 1 1   16   19    5 o  109.730   19.588   17.812   5.3632   17.529   7.9778   18.046   7.2445  101.530   28.932  105.096   26.591 -3.565857 39.29515 
1 1 1   16   19    6 o  119.255   17.797   20.573   5.3292   15.389   7.8099   25.090   7.2901   94.826   29.054  127.874   22.848 -33.04798 36.96101 
1 1 1   16   19    7 o  172.117   13.065   40.680   5.7815   33.264   8.2846   47.720   8.0720  147.907   22.318  182.760   17.255 -34.85323 28.21080 
1 1 1   16   19    8 o   49.821   20.988   1.6275   4.6200   0.3140   6.7661   2.7749   6.3237   54.189   24.075   57.964   24.494 -3.775303 34.34465 
1 1 1   16   19    9 o  120.575   20.018   21.712   6.0328   14.680   9.5686   26.351   7.7721   89.763   32.279  129.449   24.065 -39.68589 40.26204 
1 1 1   16   19   10 o  149.082   17.077   31.978   6.4758   38.720   10.512   27.855   8.2208  153.130   27.514  132.008   24.956 21.12268 37.14604 
1 1 1   16   19   11 o  204.939   15.962   59.621   8.4067   33.360   11.647   88.180   12.146  133.449   33.690  244.585   19.329 -111.1354 38.84075 
1 1 1   16   19   12 o   65.381   25.354   6.1240   6.1354   19.900   9.4982  -3.7400   8.0372  102.494   32.146   51.289   24.038 51.20509 40.14005 
1 1 1   16   19   13 o   60.540   23.894   4.8434   5.5292   2.1659   7.4964   8.0380   8.1883   58.612   25.718   71.904   28.847 -13.29207 38.64666 
1 1 1   16   19   14 o   89.888   22.451   12.977   5.2118   16.110   7.6962   10.323   7.0832   94.341   28.831   77.248   27.773 17.09235 40.03171 
1 1 1   16   19   15 o   80.499   23.178   10.655   5.0949   11.335   7.4095   10.046   7.0170   79.546   28.426   76.021   27.598 3.524979 39.61945 
1 1 1   16   19   16 o   51.159   21.671   2.1492   4.9692   5.6835   7.1523  -1.1488   6.9091   64.227   26.511   50.583   23.207 13.64410 35.23391 
1 1 1   16   19   17 o   84.915   23.010   11.976   5.1871   8.1543   7.3751   15.717   7.2969   69.961   27.601   92.427   28.035 -22.46551 39.34189 
1 1 1   16   19   18 o   51.958   22.126   2.3424   5.2276 -10.7000   9.8473   7.4603   6.1686   48.053   23.528   67.282   25.592 -19.22879 34.76402 
1 1 1   16   19   19 o   53.876   24.815  -0.3722   8.0061   0.0000   0.0000  -0.3722   8.0061  ?   ?    53.876   24.815 0.000000 24.81509 
1 1 1   16   19   20 o   51.831   23.447   0.5140   6.7423  -1.1730   10.976   1.5364   8.5444   58.491   27.623   57.455   26.149 1.036018 38.03690 
1 1 1   16   19   21 o   69.975   24.807   8.6309   5.6321  -7.1830   11.292   13.868   6.4980   53.204   25.861   86.323   26.510 -33.11872 37.03487 
1 1 1   16   19   22 o   71.171   25.458   9.2405   5.9444 -11.7800   11.658   16.627   6.9102   50.192   24.775   93.721   26.996 -43.52894 36.64133 
1 1 1   16   19   23 o   45.724   20.935  -0.5573   5.5835  -2.2490   11.084   0.0179   6.4634   55.959   26.800   49.251   22.541 6.707973 35.01918 
1 1 1   16   19   24 o   62.057   24.818   6.6324   6.0401   17.760   12.154   2.9829   6.9604   80.424   33.969   54.950   24.416 25.47388 41.83335 
1 1 1   16   19   25 o   56.134   23.917   4.5116   6.1143  -0.1522   12.437   5.9982   7.0215   57.819   27.870   60.199   25.639 -2.379169 37.86953 
1 1 1   16   20    0 o  211.372   15.907   63.167   8.6457   65.840   16.928   62.223   10.056  186.848   36.283  206.118   19.051 -19.27065 40.98031 
1 1 1   16   20    1 o  104.143   38.809   23.630   14.025   23.630   14.025   0.0000   0.0000  104.143   38.809  ?   ?  0.000000 38.80858 
1 1 1   16   20    2 o  126.244   25.468   25.701   8.0411   25.620   14.143   25.740   9.7747  107.933   39.182  120.068   31.159 -12.13528 50.06059 
1 1 1   16   20    3 o   61.885   24.605   4.8389   5.9034  -2.5133   8.3349   12.240   8.3626   54.195   25.088   83.773   30.171 -29.57776 39.23885 
1 1 1   16   20    4 o  143.565   18.462   30.178   6.7066   19.521   8.8557   44.510   10.270  104.057   30.731  168.145   24.283 -64.08810 39.16683 
1 1 1   16   20    5 o   86.688   24.929   12.321   5.8972   4.6088   7.7606   22.860   9.0717   64.658   27.218  113.396   30.305 -48.73811 40.73314 
1 1 1   16   20    6 o   98.681   23.712   15.609   5.9856   2.5450   7.9814   32.400   9.0486   60.962   26.648  141.434   25.643 -80.47194 36.98240 
1 1 1   16   20    7 o  154.760   16.920   34.538   6.6724   34.386   8.8425   34.740   10.168  147.369   23.990  143.011   28.450 4.358490 37.21420 
1 1 1   16   20    8 o   62.201   24.026   5.3585   5.4927   4.4036   7.3707   6.5510   8.2369   63.044   26.531   68.964   28.457 -5.919415 38.90665 
1 1 1   16   20    9 o  104.424   21.422   16.968   5.6000   11.471   8.2692   21.623   7.6108   80.456   29.835  113.411   26.401 -32.95483 39.83925 
1 1 1   16   20   10 o   92.961   24.707   14.378   6.0511   4.4770   10.072   19.971   7.5696   67.072   29.606  107.671   27.147 -40.59886 40.16833 
1 1 1   16   20   11 o   44.139   20.220  -1.6318   5.2173  -5.3264   7.4522   1.9198   7.3066   46.968   22.351   57.282   25.254 -10.31400 33.72427 
1 1 1   16   20   12 o  102.802   21.437   16.679   5.5235   10.197   8.2211   22.013   7.4576   75.981   29.381  113.968   25.855 -37.98756 39.13762 
1 1 1   16   20   13 o   33.638   16.469  -7.5510   4.8232  -6.5134   7.2382  -8.3796   6.4685   44.570   21.427   39.803   19.398 4.766903 28.90313 
1 1 1   16   20   14 o   70.834   24.546   8.4331   5.4943   10.343   8.0717   6.7844   7.5001   75.444   29.130   66.725   27.299 8.718605 39.92250 
1 1 1   16   20   15 o   56.772   23.051   4.1182   5.2967  -0.5120   7.8669   7.9577   7.1638   53.643   24.667   68.964   27.204 -15.32130 36.72254 
1 1 1   16   20   16 o  106.288   21.102   18.068   5.6049   17.806   8.0481   18.315   7.8104   95.627   29.526   98.079   28.831 -2.451996 41.26692 
1 1 1   16   20   17 o   36.100   17.846 -10.4110   6.1286   3.7870   11.306 -16.3189   7.2930   64.596   29.655   35.969   18.043 28.62721 34.71256 
1 1 1   16   20   18 o   84.053   30.289   14.639   8.4296   0.0000   0.0000   14.639   8.4296  ?   ?    84.053   30.289 0.000000 30.28935 
1 1 1   16   20   19 o   57.236   23.362   4.5473   5.4763   2.3580   10.638   5.3366   6.3876   61.109   28.308   60.425   25.007 0.6836433 37.77132 
1 1 1   16   20   20 o   52.214   22.537   2.5819   5.5606   5.1960   10.732   1.6227   6.5012   64.195   29.251   52.427   23.425 11.76834 37.47478 
1 1 1   16   20   21 o   85.059   25.308   13.464   5.9885   4.4100   11.950   16.500   6.9200   63.577   29.638   92.206   27.147 -28.62875 40.19136 
1 1 1   16   20   22 o   62.915   24.582   6.9452   5.8007   8.1190   12.164   6.5997   6.5994   66.950   30.745   62.189   25.544 4.761604 39.97189 
1 1 1   16   20   23 o  104.985   23.559   19.672   6.2492   28.260   12.754   16.959   7.1687   96.335   36.762   90.600   27.848 5.734879 46.11900 
1 1 1   16   20   24 o   62.139   24.802   7.1924   6.0195   22.620   12.400   2.4361   6.8852   84.447   34.887   52.636   23.763 31.81096 42.21099 
1 1 1   16   21    0 o  169.756   17.973   42.321   7.7829   54.190   15.470   38.300   9.0056  163.686   37.316  155.925   22.987 7.760956 43.82727 
1 1 1   16   21    1 o   77.214   26.974   10.153   6.6415   17.470   13.584   7.8545   7.6135   89.924   36.759   70.881   28.018 19.04250 46.21958 
1 1 1   16   21    2 o  150.691   16.267   32.715   6.2487   24.939   9.1183   39.600   8.5804  117.688   29.862  160.680   21.128 -42.99210 36.58066 
1 1 1   16   21    3 f   83.191   24.072   11.436   5.4833   2.6912   8.3707   18.008   7.2571   61.233   27.011  102.125   27.016 -40.89170 38.20330 
1 1 1   16   21    4 o   82.416   23.756   11.186   5.3496   5.1846   8.0247   15.986   7.1769   65.174   27.569   95.354   27.525 -30.17993 38.95736 
1 1 1   16   21    5 o   73.120   24.506   8.8077   5.4682  -0.4148   7.9091   17.253   7.5685   54.978   25.074   98.285   28.235 -43.30718 37.76188 
1 1 1   16   21    6 o  106.145   21.878   17.814   5.8152   8.4456   8.2476   27.076   8.2006   72.124   28.946  127.281   25.757 -55.15646 38.74656 
1 1 1   16   21    7 o  118.764   19.358   21.415   5.7499   21.831   8.3983   21.048   7.8887  109.677   29.086  109.129   27.823 0.5476151 40.25058 
1 1 1   16   21    8 o  100.207   21.924   16.044   5.5325   5.2145   7.9839   26.049   7.6737   64.453   27.393  125.743   24.440 -61.28944 36.71104 
1 1 1   16   21    9 o   67.871   24.105   7.5024   5.3201   2.9444   7.7868   11.493   7.2857   59.570   26.173   79.446   28.209 -19.87558 38.48079 
1 1 1   16   21   10 o   59.626   24.117   4.7656   5.7742   9.4790   10.007   2.4127   7.0701   73.710   30.961   56.874   24.965 16.83588 39.77231 
1 1 1   16   21   11 o   54.696   23.396   2.7649   5.8922  -7.1980   9.9542   8.1386   7.3106   51.319   24.786   69.551   27.467 -18.23167 36.99683 
1 1 1   16   21   12 o   43.510   19.954  -1.3735   5.1003  -5.3151   7.2810   2.4242   7.1468   45.594   21.805   56.589   24.961 -10.99534 33.14408 
1 1 1   16   21   13 o   55.650   23.098   3.7079   5.4722   2.0575   7.7987   5.3085   7.6804   57.024   25.554   62.782   26.779 -5.758625 37.01566 
1 1 1   16   21   14 o   39.697   18.844  -3.9121   5.2349  -1.3330   7.4483  -6.4296   7.3590   50.768   23.577   44.288   21.370 6.480217 31.82071 
1 1 1   16   21   15 o   61.750   27.290   4.5092   8.5830   9.7560   12.011  -0.9652   12.269   72.088   32.050   60.177   28.648 11.91096 42.98709 
1 1 1   16   21   16 o   65.115   28.398   6.4603   9.0183   22.380   12.229 -12.5200   13.353   92.532   35.819   53.055   26.249 39.47620 44.40785 
1 1 1   16   21   17 o  127.501   19.104   25.499   6.1150   21.684   8.6642   29.284   8.6319  102.294   30.442  126.003   27.241 -23.70885 40.85047 
1 1 1   16   21   18 o  108.753   22.328   19.942   6.0793   14.909   8.5514   25.084   8.6440   82.480   30.387  112.137   29.399 -29.65727 42.28080 
1 1 1   16   21   19 o   77.620   25.395   11.413   5.8824 -12.5700   11.259   20.417   6.8988   48.128   23.863  105.496   25.523 -57.36773 34.94104 
1 1 1   16   21   20 o   40.271   19.249  -4.0443   5.6573   11.920   11.477  -9.1679   6.5021   71.565   31.596   37.776   18.619 33.78896 36.67416 
1 1 1   16   21   21 o   38.585   18.666  -5.3549   5.7035 -14.0200   11.948  -2.7974   6.4909   47.758   23.827   44.341   21.030 3.417542 31.77986 
1 1 1   16   21   22 o   57.033   23.931   5.2051   5.9682  -3.9270   12.340   7.9936   6.8188   54.043   26.435   63.966   26.084 -9.922626 37.13738 
1 1 1   16   21   23 o   91.469   25.890   16.858   6.4107   21.510   13.176   15.415   7.3377   78.787   34.345   82.224   28.374 -3.436676 44.54934 
1 1 1   16   22    0 o   86.768   32.276   15.534   9.6924   5.1010   12.936   28.890   14.636   69.397   31.808  104.941   39.538 -35.54340 50.74405 
1 1 1   16   22    1 o   92.018   32.826   17.785   9.8766   19.020   14.207   16.630   13.740   88.368   36.991   85.015   36.025 3.352554 51.63478 
1 1 1   16   22    2 o   51.765   24.722  -5.2056   9.2908 -10.2300   13.437  -0.6027   12.861   56.476   27.617   63.275   29.888 -6.799038 40.69374 
1 1 1   16   22    3 o   43.544   20.099  -1.8841   5.2926  -1.0798   7.5393  -2.6656   7.4316   52.137   24.038   49.617   23.210 2.520058 33.41448 
1 1 1   16   22    4 o   62.131   24.078   5.8172   5.5302   8.8678   8.3291   3.4121   7.3956   71.654   28.971   59.255   25.782 12.39814 38.78223 
1 1 1   16   22    5 o  159.217   15.811   36.872   6.4345   29.604   9.1200   44.075   9.0796  128.245   28.220  166.904   21.502 -38.65851 35.47768 
1 1 1   16   22    6 o   63.763   24.532   6.3900   5.7087   3.6842   7.9681   9.2437   8.1829   60.512   26.534   72.111   28.870 -11.59875 39.21141 
1 1 1   16   22    7 o  155.279   16.105   35.339   6.3837   26.269   9.0454   44.339   9.0105  117.848   29.656  167.263   21.279 -49.41510 36.49971 
1 1 1   16   22    8 o   88.509   24.232   13.551   5.7182   8.3861   8.1329   18.600   8.0415   69.659   28.455   97.844   29.375 -28.18499 40.89763 
1 1 1   16   22    9 o   33.239   16.411  -8.9533   5.1240 -14.7538   7.3148  -3.3649   7.1798   37.070   18.517   47.355   22.357 -10.28471 29.02979 
1 1 1   16   22   10 o   44.214   20.718  -2.6877   5.9652 -14.7000   9.6455   4.7521   7.5909   44.063   21.888   61.088   26.349 -17.02507 34.25446 
1 1 1   16   22   11 f   70.933   28.275   9.3658   7.8142   0.0000   0.0000   9.3658   7.8142  ?   ?    70.933   28.275 0.000000 28.27513 
1 1 1   16   22   12 f  106.707   32.679   24.844   9.8821   21.220   13.513   29.010   14.488   87.707   36.341   98.999   38.802 -11.29158 53.16298 
1 1 1   16   22   13 o   77.028   30.413   12.664   8.9611   12.520   12.621   12.810   12.725   74.671   33.042   75.041   33.193 -0.3703842 46.83521 
1 1 1   16   22   14 o   96.690   27.253   17.941   7.1190   11.864   8.3690   33.850   13.541   75.312   29.498  110.233   38.515 -34.92053 48.51350 
1 1 1   16   22   15 o   55.981   23.389   4.2407   5.6639   8.8008   8.1355  -0.0487   7.8902   68.074   28.201   52.434   24.321 15.64007 37.23983 
1 1 1   16   22   16 o   50.511   22.291   1.9050   5.7069  -3.8990   8.3987   6.8836   7.7786   48.699   23.325   63.589   27.032 -14.88979 35.70413 
1 1 1   16   22   17 o   71.227   25.562   9.7636   5.9978   7.4216   8.5492   12.034   8.4168   64.479   27.887   74.065   29.401 -9.585960 40.52312 
1 1 1   16   22   18 o   46.866   21.327   0.3128   5.6813  -2.9660   8.2899   3.2166   7.8015   48.848   23.335   56.104   25.315 -7.255955 34.42915 
1 1 1   16   22   19 o   93.135   27.579   17.880   7.1242   0.3923   12.221   26.882   8.7682   57.651   27.748  112.669   29.644 -55.01757 40.60405 
1 1 1   16   22   20 f   56.182   23.759   4.9402   5.9570  -2.2460   11.404   7.6371   6.9859   53.841   26.128   62.801   26.084 -8.960316 36.92009 
1 1 1   16   22   21 o   57.919   24.030   5.9236   5.9197   4.0710   12.341   6.4773   6.7466   59.165   28.320   59.423   25.215 -0.2584305 37.91888 
1 1 1   16   22   22 o   80.174   28.802   15.658   7.6164   26.850   14.077   11.025   9.0566   81.551   35.526   66.420   28.715 15.13126 45.67935 
1 1 1   16   23    0 o   57.294   24.636   3.7288   6.5946   22.550   13.265  -2.4501   7.6003   91.437   36.704   49.446   23.239 41.99014 43.44249 
1 1 1   16   23    1 o   85.382   25.123   13.109   5.9282   8.5560   8.5212   17.379   8.2527   69.245   28.789   92.131   30.076 -22.88554 41.63365 
1 1 1   16   23    2 o   44.430   20.487  -1.4004   5.4779   0.5013   7.9924  -3.0852   7.5227   54.421   24.965   48.416   22.866 6.005871 33.85441 
1 1 1   16   23    3 o   53.528   22.887   2.9107   5.6342  -0.2939   8.0552   5.9800   7.8835   53.384   24.695   63.545   27.118 -10.16080 36.67768 
1 1 1   16   23    4 o   56.510   23.422   4.1682   5.6157   1.8002   7.9566   6.5186   7.9272   56.176   25.436   64.559   27.360 -8.382538 37.35720 
1 1 1   16   23    5 o   59.155   25.197   4.5751   6.7826  -5.9881   7.8596   35.390   13.424   45.924   22.141  116.759   38.371 -70.83544 44.30062 
1 1 1   16   23    6 o   76.280   30.998   12.427   9.5884   11.030   13.117   14.030   14.051   73.071   32.911   76.663   34.332 -3.592140 47.55865 
1 1 1   16   23    7 o   81.624   32.044   15.247   9.8951   17.120   13.440   13.030   14.622   80.789   34.953   74.985   34.158 5.804337 48.87259 
1 1 1   16   23    8 o   90.314   32.850   19.193   9.9487  -0.4738   13.810   40.410   14.344   61.439   29.552  121.373   39.653 -59.93498 49.45394 
1 1 1   16   23    9 o   37.591   18.560 -10.0073   6.5582 -10.6369   7.5048  -7.9730   13.490   40.243   19.867   55.396   27.208 -15.15359 33.68956 
1 1 1   16   23   10 o   39.470   18.878  -4.3123   5.4587  -5.7722   7.9744  -3.0249   7.4881   45.912   22.177   47.633   22.590 -1.721348 31.65633 
1 1 1   16   23   11 o   68.191   26.045   8.7365   6.4051  -0.6064   10.800   13.806   7.9551   56.708   26.962   80.109   29.339 -23.40124 39.84664 
1 1 1   16   23   12 o   59.180   24.105   5.5705   5.8148   5.7432   8.3696   5.4094   8.0845   61.665   27.113   60.839   26.701 0.8266449 38.05352 
1 1 1   16   23   13 f  101.746   24.037   18.567   6.2342   18.063   8.9035   19.052   8.7318   88.066   31.193   91.422   30.966 -3.355888 43.95343 
1 1 1   16   23   14 o   68.845   25.525   9.1502   6.0520   6.1809   8.5600   12.118   8.5576   61.888   27.307   73.550   29.496 -11.66297 40.19583 
1 1 1   16   23   15 o   99.386   24.604   18.262   6.3003   23.021   9.1001   13.881   8.7314   99.755   31.491   76.761   30.112 22.99347 43.57093 
1 1 1   16   23   16 o   55.075   23.731   4.1713   6.1441   7.0320   8.8157   1.4692   8.5678   62.522   27.643   54.126   25.186 8.396530 37.39605 
1 1 1   16   23   17 o   38.539   18.655  -5.1516   5.7195   6.2804   8.2064 -15.9499   7.9757   60.432   26.697   37.004   18.604 23.42791 32.53977 
1 1 1   16   23   18 o   89.437   25.835   16.132   6.3206   10.847   8.9827   21.314   8.8951   67.757   28.933   92.602   31.255 -24.84483 42.59059 
1 1 1   16   23   19 o   56.196   23.845   5.3398   6.0326   1.0442   8.5042   9.6908   8.5588   51.980   24.477   64.976   28.003 -12.99612 37.19206 
1 1 1   16   23   20 o   77.038   25.999   12.941   6.1550   23.640   11.910   9.0421   7.1896   82.042   34.066   63.694   26.459 18.34831 43.13402 
1 1 1   16   24    0 o   64.932   24.997   7.5937   5.9297  -0.0171   8.2271   15.822   8.5542   52.847   24.621   83.812   30.465 -30.96509 39.16997 
1 1 1   16   24    1 o   43.963   20.478  -1.6682   5.6881  -6.5495   8.1887   2.8830   7.9070   45.499   22.094   56.475   25.483 -10.97685 33.72758 
1 1 1   16   24    2 o   45.368   20.917  -0.8345   5.7084  -3.7155   8.0109   2.1374   8.1363   47.909   22.902   55.675   25.408 -7.765713 34.20589 
1 1 1   16   24    3 o   47.572   21.554   0.4120   5.7241   0.5371   8.3238   0.2997   7.8843   53.707   24.935   52.538   24.349 1.168304 34.85174 
1 1 1   16   24    4 o   53.135   22.933   3.1339   5.7572 -15.6380   8.3079   20.477   7.9854   38.827   19.445   99.509   29.124 -60.68194 35.01844 
1 1 1   16   24    5 o   51.293   22.351   2.5025   5.5752  -2.2768   8.0334   6.9431   7.7435   49.443   23.434   63.355   26.953 -13.91220 35.71592 
1 1 1   16   24    6 o  120.384   21.175   24.137   6.3621   10.095   9.0624   37.783   8.9337   69.416   29.327  145.824   24.521 -76.40737 38.22776 
1 1 1   16   24    7 o   69.119   25.610   9.2039   6.0906   7.0952   8.6412   11.286   8.5857   63.682   27.785   71.903   29.289 -8.221012 40.37146 
1 1 1   16   24    8 o  111.899   22.491   21.630   6.2931   20.515   8.9950   22.699   8.8074   93.782   31.431  101.055   30.834 -7.273170 44.02967 
1 1 1   16   24    9 o   78.507   25.575   12.082   5.9687   4.9924   8.4845   19.027   8.3981   59.632   26.694   91.653   30.361 -32.02136 40.42661 
1 1 1   16   24   10 f   60.682   24.340   6.4483   5.8285   5.7547   8.3876   7.0959   8.1051   60.570   26.862   62.798   27.157 -2.228004 38.19774 
1 1 1   16   24   11 o   72.537   26.841   10.966   6.6855   14.420   11.271   9.0904   8.3041   73.707   31.949   66.366   28.058 7.340576 42.52007 
1 1 1   16   24   12 o   78.581   27.490   13.262   6.8989   3.9960   11.464   18.523   8.6382   59.976   28.296   87.805   30.758 -27.82898 41.79374 
1 1 1   16   24   13 o   87.465   26.172   15.456   6.3911   16.223   8.9537   14.659   9.1255   80.200   30.755   76.197   30.494 4.003708 43.30980 
1 1 1   16   24   14 o   43.323   20.341  -1.5860   5.7986  -8.1218   7.9355   5.9024   8.4941   42.183   20.748   59.534   26.675 -17.35052 33.79433 
1 1 1   16   24   15 o   78.828   26.628   13.360   6.4566   9.9264   9.2144   16.672   9.0500   65.619   28.660   79.456   30.798 -13.83661 42.07022 
1 1 1   16   24   16 o   65.434   25.550   9.0301   6.2637   2.9092   8.8873   15.071   8.8293   54.640   25.501   75.431   30.060 -20.79049 39.41903 
1 1 1   16   24   17 f   49.164   22.289   2.0747   6.1311   11.814   8.5653  -8.1585   8.7800   68.066   28.620   43.321   21.406 24.74503 35.73985 
1 1 1   16   24   18 o   68.318   25.839   10.552   6.2660   6.3017   8.9458   14.645   8.7796   57.775   26.470   72.410   29.570 -14.63584 39.68715 
1 1 1   16   24   19 o   42.895   20.344  -1.3365   6.0744   7.1387   8.6944  -9.4182   8.4901   58.022   26.396   40.984   20.388 17.03803 33.35309 
1 1 1   16   25    0 o   99.575   24.877   18.752   6.3981   1.9552   9.0408   35.604   9.0557   55.106   25.719  135.965   26.665 -80.85857 37.04724 
1 1 1   16   25    1 o  118.224   21.937   24.205   6.4706   16.064   9.1488   32.354   9.1528   79.662   30.942  125.769   28.725 -46.10635 42.21988 
1 1 1   16   25    2 o   72.278   25.900   10.680   6.1554   13.328   8.6611   7.9773   8.7497   74.421   29.735   63.727   27.878 10.69380 40.75942 
1 1 1   16   25    3 f   76.820   25.836   12.002   6.0780   6.8345   8.7377   16.846   8.4601   61.757   27.402   83.576   30.309 -21.81992 40.85964 
1 1 1   16   25    4 o   51.195   22.622   2.6502   5.8959   3.4623   8.7496   1.9748   7.9795   56.631   26.031   53.556   24.706 3.074604 35.88877 
1 1 1   16   25    5 o   81.264   26.240   13.572   6.2909   10.840   9.0799   16.093   8.7241   68.499   29.165   80.509   30.480 -12.01053 42.18551 
1 1 1   16   25    6 o   62.419   24.829   7.4097   6.0137  -5.1615   8.4346   20.407   8.5764   46.135   22.408   92.545   30.682 -46.41043 37.99337 
1 1 1   16   25    7 o   41.275   19.770  -3.6719   6.0367  -6.0136   8.4671  -1.2510   8.6090   45.351   22.122   50.324   23.968 -4.973320 32.61670 
1 1 1   16   25    8 o   91.357   25.512   16.525   6.2690   25.671   8.9590   7.7508   8.7752  105.365   30.851   62.578   27.628 42.78754 41.41336 
1 1 1   16   25    9 o   58.625   24.387   6.1227   6.1201   10.866   8.6215   1.3045   8.6891   68.026   28.665   53.092   24.919 14.93412 37.98157 
1 1 1   16   25   10 o   50.283   22.405   2.5061   5.9034  -4.2265   8.4252   8.9992   8.2741   46.505   22.543   64.315   27.623 -17.81053 35.65411 
1 1 1   16   25   11 o   65.183   25.661   8.9095   6.3617   11.934   9.1450   6.0731   8.8556   68.754   29.271   59.098   26.790 9.656231 39.68002 
1 1 1   16   25   12 f   86.934   27.743   16.923   7.0480   11.620   12.046   19.684   8.6908   65.673   30.316   87.115   30.822 -21.44202 43.23298 
1 1 1   16   25   13 o   59.120   24.496   6.7995   6.1399   12.378   8.5597   0.8865   8.8122   69.276   28.832   51.651   24.499 17.62579 37.83475 
1 1 1   16   25   14 o   44.699   20.816  -0.1312   5.8702  -0.7905   8.0111   0.6332   8.6265   48.190   22.998   50.714   24.108 -2.524651 33.31868 
1 1 1   16   25   15 o   42.685   20.207  -1.4265   5.9382   1.5243   8.4844  -4.2599   8.3139   51.076   24.172   44.926   21.916 6.150570 32.62783 
1 1 1   16   25   16 o   44.753   20.957   0.0129   6.0863 -12.2157   8.7716   11.367   8.4520   39.759   19.922   65.032   27.925 -25.27313 34.30256 
1 1 1   16   25   17 o   41.002   19.961  -4.1266   6.7995  -1.6530   11.632  -5.4106   8.3805   50.395   24.852   43.251   21.283 7.143486 32.71965 
1 1 1   16   26    0 o   87.254   26.442   16.230   6.4932   5.2908   9.0533   27.818   9.3179   57.507   26.451  106.219   31.560 -48.71167 41.17878 
1 1 1   16   26    1 o   56.056   23.823   5.4259   6.0376   8.1726   8.4467   2.5566   8.6332   61.788   27.201   53.628   25.064 8.159237 36.98736 
1 1 1   16   26    2 f   53.242   23.154   4.1876   5.9583   1.3560   8.2322   7.3028   8.6347   51.629   24.239   60.346   26.977 -8.717159 36.26696 
1 1 1   16   26    3 o   89.175   25.513   16.290   6.1912   18.198   8.7523   14.378   8.7590   82.563   30.679   73.482   29.710 9.080414 42.70671 
1 1 1   16   26    4 o   44.202   20.714  -0.8342   5.9643  -9.2084   8.5401   7.1392   8.3332   42.119   20.866   59.928   26.667 -17.80950 33.86007 
1 1 1   16   26    5 o  114.713   23.289   24.444   6.6838   17.272   9.2352   32.333   9.6854   78.328   30.891  116.291   31.412 -37.96275 44.05685 
1 1 1   16   26    6 o   47.358   21.800   0.9799   6.1657   1.1719   8.6877   0.7850   8.7518   51.748   24.481   51.399   24.390 0.3489189 34.55659 
1 1 1   16   26    7 o   53.986   23.604   4.5846   6.2654   1.7522   8.9892   7.2605   8.7373   52.627   24.898   59.714   26.881 -7.086979 36.64026 
1 1 1   16   26    8 o   64.263   25.598   9.0714   6.4002   6.7063   9.1193   11.367   8.9846   58.709   26.834   66.117   28.592 -7.407146 39.21168 
1 1 1   16   26    9 o   53.573   23.190   4.6940   5.9216   0.8154   8.4891   8.3698   8.2643   50.541   23.994   61.011   26.880 -10.47000 36.03121 
1 1 1   16   26   10 o   40.302   19.379  -3.2461   5.9274  -9.9424   8.4373   3.2795   8.3290   40.769   20.288   53.069   24.740 -12.29916 31.99526 
1 1 1   16   26   11 o   54.353   23.682   5.2286   6.2575   6.0333   8.9895   4.4722   8.7157   56.699   26.179   54.546   25.388 2.153313 36.46796 
1 1 1   16   26   12 o   60.273   25.621   8.2893   6.9871   2.4910   11.277   11.902   8.9014   53.728   26.053   65.164   28.319 -11.43611 38.48032 
1 1 1   16   26   13 o   61.516   25.808   9.0910   6.9395   10.710   11.724   8.2179   8.6098   60.616   28.603   58.729   26.537 1.887520 39.01749 
1 1 1   16   26   14 o   54.072   25.013   5.4237   8.2639   12.790   11.745  -1.7990   11.630   61.861   29.014   49.816   24.619 12.04509 38.05132 
1 1 1   16   26   15 o   39.358   19.634  -9.1141   8.1088 -10.8400   11.533  -7.4270   11.403   44.161   22.225   45.721   22.881 -1.560116 31.89766 
1 1 1   16   27    0 o   81.877   30.147   18.936   8.4154   12.080   11.818   25.990   11.987   62.654   29.295   81.364   34.012 -18.71054 44.88920 
1 1 1   16   27    1 f   45.366   21.775  -1.5222   7.4086  -6.2620   10.491   3.1930   10.464   46.499   23.052   53.792   25.835 -7.293007 34.62446 
1 1 1   16   27    2 o   56.352   25.300   6.3315   7.6819   13.860   10.602  -1.9910   11.147   65.946   29.655   50.189   24.667 15.75770 38.57340 
1 1 1   16   27    3 o   46.049   22.038  -0.9621   7.4644  -3.4500   10.932   1.2110   10.217   48.892   24.107   51.754   25.023 -2.862122 34.74643 
1 1 1   16   27    4 o   53.322   24.549   4.4240   7.8243   9.2610   11.590   0.3735   10.606   59.659   28.239   51.307   24.967 8.351929 37.69354 
1 1 1   16   27    5 o   45.064   21.762  -2.0874   7.6672   0.0401   11.230  -3.9450   10.494   51.474   25.187   47.834   23.592 3.639843 34.51022 
1 1 1   16   27    6 o   44.047   21.288  -2.4278   7.3741   5.7960   10.807  -9.5930   10.087   55.881   26.681   43.505   21.734 12.37626 34.41272 
1 1 1   16   27    7 o  108.319   30.569   29.882   8.9511   27.790   12.606   32.010   12.712   80.242   34.269   86.794   35.529 -6.552254 49.36290 
1 1 1   16   27    8 o   52.059   24.222   3.9934   7.9221   5.4680   11.547   2.6820   10.889   55.188   26.664   52.607   25.530 2.580688 36.91581 
1 1 1   16   27    9 o   51.880   24.014   4.2108   7.6337   3.6450   11.511   4.6550   10.199   53.340   25.969   53.668   25.704 -0.3286438 36.53862 
1 1 1   16   27   10 o   67.141   27.130   12.479   7.2989   11.139   9.1170   14.870   12.180   61.255   27.527   62.641   29.433 -1.386261 40.29966 
1 1 1   16   27   11 o   45.716   21.572   0.9473   6.6688   1.9334   8.3922  -0.7424   10.985   48.950   23.411   48.977   24.152 -0.2673721E-01 33.63598 
1 1 1   16   27   12 o   40.454   19.669  -3.0602   6.5439  -2.5080   10.923  -3.3694   8.1729   47.310   23.466   43.264   21.235 4.045246 31.64749 
1 1 1   16   27   13 o   31.100   15.766 -14.9005   6.4644 -12.6000   11.084 -16.0863   7.9580   41.736   21.099   34.408   17.449 7.327335 27.37936 
1 1 1   16   28    0 o   52.116   23.191   5.3813   6.3023   2.6718   9.1653   7.8117   8.6802   49.933   24.032   55.689   25.717 -5.755402 35.19807 
1 1 1   16   28    1 o   37.807   18.594  -5.3728   6.3680   1.6994   9.0480 -12.3144   8.9641   48.926   23.630   38.788   19.530 10.13810 30.65629 
1 1 1   16   28    2 o   46.808   21.865   2.0714   6.5568   7.0594   9.3793  -2.6961   9.1696   54.606   25.711   45.297   22.285 9.308537 34.02419 
1 1 1   16   28    3 o   49.613   22.675   3.9552   6.5110  -6.4639   9.2498   14.188   9.1668   42.703   21.249   64.568   28.383 -21.86504 35.45563 
1 1 1   16   28    4 o   79.858   27.174   16.685   6.7246   29.079   9.7630   5.4978   9.2757   93.278   32.698   52.665   25.025 40.61284 41.17515 
1 1 1   16   28    5 o   61.214   25.460   10.012   6.6684   11.015   9.3210   8.9599   9.5439   59.134   27.066   56.350   26.341 2.784145 37.76805 
1 1 1   16   28    6 o   86.154   27.347   19.086   6.8551  -4.4794   9.2909   47.244   10.156   43.756   21.692  139.154   29.111 -95.39870 36.30431 
1 1 1   16   28    7 o   54.108   23.768   6.8173   6.4191   11.703   9.0624   1.8983   9.0935   59.721   27.084   48.377   23.443 11.34468 35.82047 
1 1 1   16   28    8 o   60.750   25.313   10.184   6.6093   3.5178   9.1667   17.401   9.5382   49.629   23.923   67.108   29.238 -17.47886 37.77836 
1 1 1   16   28    9 o   41.813   20.111  -0.8113   6.3927  -0.6682   8.8487  -0.9674   9.2457   45.343   22.223   45.516   22.389 -0.1731071 31.54578 
1 1 1   16   28   10 o   50.945   23.700   5.7675   7.5790   11.850   11.786   1.4785   9.8968   55.720   26.925   47.516   23.331 8.204414 35.62740 
1 1 1   16   29    0 o   45.012   21.454   2.0299   6.9242   13.934   10.255  -7.9429   9.3867   57.857   27.128   40.226   20.218 17.63101 33.83363 
1 1 1   16   29    1 o   38.533   18.934  -3.5599   6.5560 -10.8821   9.0984   4.3477   9.4550   38.253   19.312   48.767   23.695 -10.51381 30.56805 
1 1 1   16   29    2 o   41.062   19.861  -0.8316   6.4493  -1.6137   8.8108   0.0711   9.4658   43.495   21.483   45.331   22.367 -1.836559 31.01233 
1 1 1   16   29    3 o   35.918   17.825  -5.9399   6.3362 -12.7958   8.8742   1.1900   9.0498   36.864   18.664   45.801   22.453 -8.936588 29.19754 
1 1 1   16   29    4 o   28.832   14.685 -15.9718   6.0992 -10.5549   8.8111 -20.9554   8.4513   37.796   19.072   32.533   16.631 5.262520 25.30456 
1 1 1   16   29    5 o   57.392   24.833   10.083   6.7848   12.960   9.8248   7.4609   9.3808   56.639   26.556   51.134   24.533 5.505169 36.15352 
1 1 1   16   29    6 o   40.176   19.660  -1.9306   6.8457   0.1351   9.5901  -4.0768   9.7751   44.879   22.211   42.373   21.202 2.506264 30.70643 
1 1 1   17    0    0 o  241.263   11.497   76.719   7.1480   76.719   7.1480   76.719   7.1480  241.263   11.497  241.263   11.497 0.000000 0.000000 
1 1 1   17    0    1 o  120.997   13.488   19.929   4.0929   19.929   4.0929   19.929   4.0929  120.997   13.488  120.997   13.488 0.000000 0.000000 
1 1 1   17    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   12 o  216.739   11.070   62.197   6.1780   62.197   6.1780   62.197   6.1780  216.739   11.070  216.739   11.070 0.000000 0.000000 
1 1 1   17    0   13 o  120.962   14.095   20.149   4.2597   20.149   4.2597   20.149   4.2597  120.962   14.095  120.962   14.095 0.000000 0.000000 
1 1 1   17    0   14 o  134.394   14.503   24.806   4.8999   24.806   4.8999   24.806   4.8999  134.394   14.503  134.394   14.503 0.000000 0.000000 
1 1 1   17    0   15 o  242.714   12.379   78.480   7.7368   78.480   7.7368   78.480   7.7368  242.714   12.379  242.714   12.379 0.000000 0.000000 
1 1 1   17    0   16 o   87.595   24.926   12.739   4.9004   12.739   4.9004   12.739   4.9004   87.595   24.926   87.595   24.926 0.000000 0.000000 
1 1 1   17    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   18 o   71.173   29.252   10.085   5.3322   10.085   5.3322   10.085   5.3322   71.173   29.252   71.173   29.252 0.000000 0.000000 
1 1 1   17    0   19 o   45.425   26.100   4.1617   4.9018   4.1617   4.9018   4.1617   4.9018   45.425   26.100   45.425   26.100 0.000000 0.000000 
1 1 1   17    0   20 o   55.892   28.533   6.9163   5.2096   6.9163   5.2096   6.9163   5.2096   55.892   28.533   55.892   28.533 0.000000 0.000000 
1 1 1   17    0   21 o   42.122   25.814   3.0100   5.4016   3.0100   5.4016   3.0100   5.4016   42.122   25.814   42.122   25.814 0.000000 0.000000 
1 1 1   17    0   22 o   32.262   21.773  -1.2927   5.2891  -1.2927   5.2891  -1.2927   5.2891   32.262   21.773   32.262   21.773 0.000000 0.000000 
1 1 1   17    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   24 f  145.334   22.150   32.264   7.7640   32.264   7.7640   32.264   7.7640  145.334   22.150  145.334   22.150 0.000000 0.000000 
1 1 1   17    0   25 o   74.321   33.961   13.182   7.1176   13.182   7.1176   13.182   7.1176   74.321   33.961   74.321   33.961 0.000000 0.000000 
1 1 1   17    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   27 o   51.117   29.617   6.7076   6.3940   6.7076   6.3940   6.7076   6.3940   51.117   29.617   51.117   29.617 0.000000 0.000000 
1 1 1   17    0   28 o  204.886   17.775   61.511   9.2700   61.511   9.2700   61.511   9.2700  204.886   17.775  204.886   17.775 0.000000 0.000000 
1 1 1   17    0   29 o   42.290   27.457   3.3591   7.1843   3.3591   7.1843   3.3591   7.1843   42.290   27.457   42.290   27.457 0.000000 0.000000 
1 1 1   17    0   30 o   85.093   35.556   18.363   7.8470   18.363   7.8470   18.363   7.8470   85.093   35.556   85.093   35.556 0.000000 0.000000 
1 1 1   17    1    0 o  290.990   8.0442  110.590   6.0634  111.727   8.6640  109.498   8.4885  291.224   11.485  288.356   11.365 2.867706 16.15746 
1 1 1   17    1    1 o  363.725   11.634  174.363   10.961  166.900   16.107  180.800   14.959  351.445   17.751  367.769   15.703 -16.32422 23.69957 
1 1 1   17    1    2 o  229.614   11.442   69.456   6.8051   67.760   10.390   70.730   9.0056  223.337   18.116  229.770   15.217 -6.432999 23.65891 
1 1 1   17    1    3 o  222.190   10.528   64.877   6.0592   0.0000   0.0000   64.877   6.0592  ?   ?   222.190   10.528 0.000000 10.52791 
1 1 1   17    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   10 o  153.418   11.611   31.287   4.5802   0.0000   0.0000   31.287   4.5802  ?   ?   153.418   11.611 0.000000 11.61136 
1 1 1   17    1   11 o  137.959   12.391   25.441   4.3806   0.0000   0.0000   25.441   4.3806  ?   ?   137.959   12.391 0.000000 12.39057 
1 1 1   17    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   13 o   93.276   10.972   11.646   2.6002   12.451   3.3904   10.496   4.0518   95.521   14.129   86.019   18.717 9.502266 23.45087 
1 1 1   17    1   14 o   95.578   12.074   12.309   2.9226   16.145   3.9406   7.6184   4.3569  108.886   14.319   72.913   21.562 35.97266 25.88289 
1 1 1   17    1   15 f  100.080   12.822   13.553   3.2475   13.963   4.4161   13.071   4.7921   99.779   17.736   95.546   20.004 4.232391 26.73458 
1 1 1   17    1   16 o   94.209   20.522   12.801   4.8662   12.801   4.8662   0.0000   0.0000   94.209   20.522  ?   ?  0.000000 20.52171 
1 1 1   17    1   17 o  105.814   14.464   15.334   3.8607   16.769   5.3334   13.754   5.5958  108.404   19.720   96.594   22.741 11.80958 30.10062 
1 1 1   17    1   18 o  145.882   17.225   29.556   6.3835   0.0000   0.0000   29.556   6.3835  ?   ?   145.882   17.225 0.000000 17.22524 
1 1 1   17    1   19 o   71.720   19.203   7.4410   3.6385   10.928   5.1531   3.9746   5.1382   85.614   22.822   59.861   23.205 25.75223 32.54727 
1 1 1   17    1   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   21 o  161.050   11.852   34.904   4.9095   38.003   6.9137   31.752   6.9729  165.364   16.355  149.730   18.363 15.63367 24.59056 
1 1 1   17    1   22 o   89.147   26.541   12.570   6.5847   0.0000   0.0000   12.570   6.5847  ?   ?    89.147   26.541 0.000000 26.54055 
1 1 1   17    1   23 f   56.879   21.524   3.9610   4.3494   5.3124   6.1252   2.5866   6.1772   65.056   25.304   58.094   24.360 6.962318 35.12378 
1 1 1   17    1   24 o   69.110   22.498   7.1464   4.6188   4.6151   6.5553   9.6419   6.5090   63.731   25.725   78.319   26.735 -14.58738 37.10143 
1 1 1   17    1   25 o   55.289   21.756   3.4361   4.5713   4.9060   9.0657   2.9349   5.2935   68.870   29.227   55.878   22.906 12.99194 37.13388 
1 1 1   17    1   26 o   73.933   27.428   8.4372   6.9900  -3.8200   9.6479   21.980   10.141   56.712   26.502  109.398   33.021 -52.68639 42.34048 
1 1 1   17    1   27 o  103.995   23.381   17.032   6.1452   24.100   9.9547   12.681   7.8112  115.078   32.153   85.734   29.287 29.34441 43.49224 
1 1 1   17    1   28 o  143.003   18.365   29.976   6.6455   24.250   11.391   32.931   8.1821  110.094   35.284  146.148   22.321 -36.05391 41.75203 
1 1 1   17    1   29 o  272.330   10.995  100.496   7.7561   93.716   10.957  107.306   10.981  255.410   16.653  275.201   15.466 -19.79147 22.72712 
1 1 1   17    1   30 o  112.210   19.960   19.287   5.5889   9.6978   8.0239   28.323   7.7890   74.997   29.019  132.699   23.521 -57.70267 37.35478 
1 1 1   17    2    0 o  135.299   14.983   24.677   5.1629   24.530   8.5976   24.760   6.4567  129.897   26.451  133.921   19.159 -4.024536 32.66045 
1 1 1   17    2    1 o  247.278   12.446   81.001   7.9462   76.090   12.278   84.540   10.424  235.317   20.343  250.757   16.133 -15.44025 25.96404 
1 1 1   17    2    2 o  235.248   12.397   73.326   7.5277   58.650   11.348   84.860   10.060  205.597   21.632  251.555   15.514 -45.95753 26.62057 
1 1 1   17    2    3 o  409.266   11.918  221.064   12.635  208.100   18.249  233.000   17.510  392.462   17.951  416.869   16.216 -24.40692 24.19067 
1 1 1   17    2    4 o  397.544   11.342  208.263   11.679   0.0000   0.0000  208.263   11.679  ?   ?   397.544   11.342 0.000000 11.34154 
1 1 1   17    2    5 o  233.393   11.136   71.759   6.7326   0.0000   0.0000   71.759   6.7326  ?   ?   233.393   11.136 0.000000 11.13646 
1 1 1   17    2    6 f  112.550   13.030   17.005   3.7286   0.0000   0.0000   17.005   3.7286  ?   ?   112.550   13.030 0.000000 13.03041 
1 1 1   17    2    7 o  128.500   12.569   22.066   4.1300   0.0000   0.0000   22.066   4.1300  ?   ?   128.500   12.569 0.000000 12.56878 
1 1 1   17    2    8 o  177.302   11.607   41.692   5.3011   0.0000   0.0000   41.692   5.3011  ?   ?   177.302   11.607 0.000000 11.60671 
1 1 1   17    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   10 o  132.604   13.277   23.614   4.4992   0.0000   0.0000   23.614   4.4992  ?   ?   132.604   13.277 0.000000 13.27710 
1 1 1   17    2   11 o   85.699   18.141   10.349   3.9016   0.0000   0.0000   10.349   3.9016  ?   ?    85.699   18.141 0.000000 18.14110 
1 1 1   17    2   12 o  118.712   15.594   19.269   4.6792   0.0000   0.0000   19.269   4.6792  ?   ?   118.712   15.594 0.000000 15.59427 
1 1 1   17    2   13 o  163.782   13.732   36.088   5.7719   0.0000   0.0000   36.088   5.7719  ?   ?   163.782   13.732 0.000000 13.73189 
1 1 1   17    2   14 o  109.826   10.592   16.069   2.9760   17.141   3.7765   14.312   4.8341  112.631   13.194  100.470   19.276 12.16066 23.35920 
1 1 1   17    2   15 o  155.503   13.086   32.499   5.2220   32.499   5.2220   0.0000   0.0000  155.503   13.086  ?   ?  0.000000 13.08587 
1 1 1   17    2   16 o  282.529   12.559  106.465   9.1915   0.0000   0.0000  106.465   9.1915  ?   ?   282.529   12.559 0.000000 12.55949 
1 1 1   17    2   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   18 o  165.743   12.521   36.916   5.3359   42.460   8.9014   33.807   6.6663  173.020   20.244  156.385   16.716 16.63586 26.25338 
1 1 1   17    2   19 o  168.213   16.101   38.999   6.9300   0.0000   0.0000   38.999   6.9300  ?   ?   168.213   16.101 0.000000 16.10145 
1 1 1   17    2   20 o  130.696   13.141   23.203   4.3886   19.159   6.0430   27.716   6.3839  114.542   21.147  140.277   17.983 -25.73512 27.75928 
1 1 1   17    2   21 o   66.798   21.252   6.4635   4.1382   11.430   5.7144   0.9867   6.0007   86.290   24.450   54.349   23.435 31.94115 33.86728 
1 1 1   17    2   22 o   71.712   21.658   7.6552   4.3618   2.4421   5.9800   13.582   6.3760   57.387   24.009   92.973   25.643 -35.58591 35.12860 
1 1 1   17    2   23 o  131.578   14.736   24.007   4.9361   25.065   6.7851   22.817   7.1941  130.492   20.770  122.355   23.554 8.136887 31.40321 
1 1 1   17    2   24 o   68.664   22.197   7.0518   4.5009   4.1680   9.0363   8.0033   5.1906   67.840   28.995   72.485   23.862 -4.645493 37.55085 
1 1 1   17    2   25 f   95.480   26.304   14.853   6.7134   16.930   9.6178   12.880   9.3751   97.044   32.501   86.606   31.830 10.43855 45.49140 
1 1 1   17    2   26 o   70.676   23.254   7.6838   4.9296   9.9800   9.3592   6.8022   5.7992   79.095   31.128   68.023   25.029 11.07222 39.94289 
1 1 1   17    2   27 f   49.429   22.986  -3.2476   7.1195   0.0000   0.0000  -3.2476   7.1195  ?   ?    49.429   22.986 0.000000 22.98644 
1 1 1   17    2   28 o  227.774   14.121   72.242   8.2901   96.850   14.177   59.456   10.219  251.952   21.942  199.714   20.024 52.23792 29.70581 
1 1 1   17    2   29 o   69.661   23.749   7.7217   5.1364   19.640   10.879   4.3024   5.8268   97.971   34.503   59.584   24.182 38.38731 42.13401 
1 1 1   17    2   30 o  134.875   18.578   27.214   6.3183   31.600   11.973   25.520   7.4385  123.246   35.543  125.490   23.753 -2.244545 42.75000 
1 1 1   17    3    0 o  240.825   17.222   78.450   10.673   0.0000   0.0000   78.450   10.673  ?   ?   240.825   17.222 0.000000 17.22249 
1 1 1   17    3    1 o  197.323   13.467   51.878   6.8423   43.750   10.555   57.770   8.9862  176.024   23.756  206.640   16.937 -30.61647 29.17541 
1 1 1   17    3    2 o  122.762   17.360   20.659   5.3665   12.030   8.8207   25.730   6.7619   91.608   31.123  136.225   19.738 -44.61641 36.85405 
1 1 1   17    3    3 o  142.000   15.533   27.260   5.6202   28.980   9.1534   26.220   7.1204  141.551   25.919  137.073   20.699 4.478073 33.17016 
1 1 1   17    3    4 o  183.748   13.548   45.062   6.4027   42.430   10.319   46.710   8.1647  173.227   23.611  185.458   17.191 -12.23088 29.20648 
1 1 1   17    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3    6 o  183.939   12.116   44.923   5.7404   0.0000   0.0000   44.923   5.7404  ?   ?   183.939   12.116 0.000000 12.11592 
1 1 1   17    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3    8 o  224.894   11.950   67.089   6.9364   0.0000   0.0000   67.089   6.9364  ?   ?   224.894   11.950 0.000000 11.94995 
1 1 1   17    3    9 f  116.801   15.389   18.592   4.5427   0.0000   0.0000   18.592   4.5427  ?   ?   116.801   15.389 0.000000 15.38937 
1 1 1   17    3   10 o  101.110   17.153   14.186   4.3320   0.0000   0.0000   14.186   4.3320  ?   ?   101.110   17.153 0.000000 17.15348 
1 1 1   17    3   11 o  227.802   12.341   69.072   7.2552   0.0000   0.0000   69.072   7.2552  ?   ?   227.802   12.341 0.000000 12.34137 
1 1 1   17    3   12 o  225.254   12.422   67.613   7.2199   0.0000   0.0000   67.613   7.2199  ?   ?   225.254   12.422 0.000000 12.42199 
1 1 1   17    3   13 o  163.500   14.349   36.102   6.0154   0.0000   0.0000   36.102   6.0154  ?   ?   163.500   14.349 0.000000 14.34872 
1 1 1   17    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   15 o  114.552   11.436   17.565   3.3479   19.827   4.2709   13.959   5.3918  120.886   13.892   97.960   21.810 22.92559 25.85804 
1 1 1   17    3   16 o   65.378   17.429   6.0631   3.0054   5.5835   3.7864   6.8798   4.9411   63.358   20.347   69.984   23.293 -6.625706 30.92812 
1 1 1   17    3   17 o   49.362   18.101   2.8522   3.0293  -0.9374   3.8064   9.3989   5.0030   40.569   18.039   79.837   22.962 -39.26766 29.20083 
1 1 1   17    3   18 o   68.929   18.579   6.8255   3.3925   10.971   4.4809   1.2580   5.1929   86.825   20.289   52.485   22.188 34.33986 30.06582 
1 1 1   17    3   19 o  164.398   16.457   37.393   6.9141   0.0000   0.0000   37.393   6.9141  ?   ?   164.398   16.457 0.000000 16.45732 
1 1 1   17    3   20 o  192.276   15.804   50.955   7.8018   0.0000   0.0000   50.955   7.8018  ?   ?   192.276   15.804 0.000000 15.80444 
1 1 1   17    3   21 o   65.556   21.195   6.1925   4.1036   12.788   5.7129  -0.8378   5.8983   91.400   23.870   50.129   22.361 41.27132 32.70816 
1 1 1   17    3   22 o  169.090   11.755   38.549   5.1166   27.550   9.8852   42.574   5.9800  129.365   30.071  176.879   13.146 -47.51378 32.81847 
1 1 1   17    3   23 o  148.024   13.456   30.026   5.1030   16.800   9.9275   34.775   5.9491   97.716   33.019  158.596   14.647 -60.88049 36.12135 
1 1 1   17    3   24 o   81.248   23.132   10.248   5.1023   0.5441   8.8644   15.055   6.2395   61.157   27.337   97.616   24.666 -36.45884 36.82040 
1 1 1   17    3   25 o  115.559   17.695   19.285   5.1282   20.680   10.046   18.793   5.9636  106.472   33.007  111.489   21.429 -5.016975 39.35281 
1 1 1   17    3   26 o   87.565   22.382   11.957   5.0959   5.4160   10.263   14.097   5.8707   71.026   30.637   94.115   24.005 -23.08937 38.92123 
1 1 1   17    3   27 o   82.332   29.015   11.579   7.6944   0.0000   0.0000   11.579   7.6944  ?   ?    82.332   29.015 0.000000 29.01536 
1 1 1   17    3   28 o   76.639   23.946   9.4915   5.2761   18.700   10.623   6.4758   6.0790   97.207   34.105   66.448   25.374 30.75911 42.50902 
1 1 1   17    3   29 o   78.715   24.063   10.199   5.3607  -9.4450   10.785   16.645   6.1779   52.686   25.531  101.053   23.965 -48.36626 35.01649 
1 1 1   17    3   30 o   59.907   23.557   4.9382   5.3559   7.7260   11.069   4.0860   6.1200   72.306   31.500   58.970   24.447 13.33599 39.87407 
1 1 1   17    4    0 o  213.136   14.612   60.823   8.0182   43.760   12.011   74.540   10.769  173.408   27.670  234.198   17.887 -60.78999 32.94831 
1 1 1   17    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4    2 o  193.987   18.240   51.370   9.0579   0.0000   0.0000   51.370   9.0579  ?   ?   193.987   18.240 0.000000 18.24039 
1 1 1   17    4    3 o  157.094   15.235   33.278   6.1213   12.640   9.0775   50.490   8.2898   93.265   31.573  193.045   16.744 -99.77973 35.73827 
1 1 1   17    4    4 o  215.880   13.373   62.110   7.4411   50.620   11.321   70.850   9.8734  189.240   23.609  228.818   16.775 -39.57790 28.96174 
1 1 1   17    4    5 o  149.165   15.495   30.099   5.8996   20.570   9.2558   36.620   7.6565  116.359   30.381  163.318   18.421 -46.95884 35.52921 
1 1 1   17    4    6 o   87.345   18.248   10.707   3.9955   0.0000   0.0000   10.707   3.9955  ?   ?    87.345   18.248 0.000000 18.24786 
1 1 1   17    4    7 f   52.267   19.793   2.8833   3.6793   0.0000   0.0000   2.8833   3.6793  ?   ?    52.267   19.793 0.000000 19.79265 
1 1 1   17    4    8 o  141.551   14.530   27.046   5.2521   0.0000   0.0000   27.046   5.2521  ?   ?   141.551   14.530 0.000000 14.53032 
1 1 1   17    4    9 o   62.512   20.842   5.2378   3.9553   0.0000   0.0000   5.2378   3.9553  ?   ?    62.512   20.842 0.000000 20.84182 
1 1 1   17    4   10 o  154.155   14.193   32.025   5.6039   0.0000   0.0000   32.025   5.6039  ?   ?   154.155   14.193 0.000000 14.19332 
1 1 1   17    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   13 o  108.585   19.298   16.665   5.2289   0.0000   0.0000   16.665   5.2289  ?   ?   108.585   19.298 0.000000 19.29762 
1 1 1   17    4   14 o  209.863   13.537   59.164   7.3197   0.0000   0.0000   59.164   7.3197  ?   ?   209.863   13.537 0.000000 13.53718 
1 1 1   17    4   15 o  182.058   8.8953   43.568   4.1949   39.103   5.2914   51.122   6.8823  171.058   12.018  194.815   13.726 -23.75720 18.24404 
1 1 1   17    4   16 o  160.578   16.159   35.395   6.6299   0.0000   0.0000   35.395   6.6299  ?   ?   160.578   16.159 0.000000 16.15885 
1 1 1   17    4   17 o  116.363   12.081   18.234   3.5883   17.259   4.6618   19.651   5.6208  111.303   16.684  117.705   19.089 -6.401733 25.35239 
1 1 1   17    4   18 o  100.470   14.714   13.923   3.7158   12.782   4.8103   15.611   5.8511   93.737   20.391  102.687   22.609 -8.949684 30.44655 
1 1 1   17    4   19 o  133.233   19.673   25.378   6.5851   0.0000   0.0000   25.378   6.5851  ?   ?   133.233   19.673 0.000000 19.67276 
1 1 1   17    4   20 o   80.575   19.494   9.4959   4.0244   16.203   5.3516   0.7665   6.1054  105.399   20.339   54.334   23.533 51.06570 31.10400 
1 1 1   17    4   21 o   77.487   19.342   8.8201   3.8699   14.720   7.4567   6.6451   4.5274   95.529   28.195   67.639   22.286 27.89029 35.93963 
1 1 1   17    4   22 o  151.714   12.840   31.330   4.9984   39.190   9.7135   28.499   5.8294  160.867   24.049  142.743   16.044 18.12445 28.90960 
1 1 1   17    4   23 f  118.441   16.049   19.776   4.7970   17.550   9.1438   20.622   5.6346  100.539   31.542  119.223   18.874 -18.68452 36.75799 
1 1 1   17    4   24 o  143.398   19.331   29.978   6.9975   19.140   9.6685   41.900   10.140  103.420   32.433  164.661   24.522 -61.24081 40.66007 
1 1 1   17    4   25 o   83.358   22.052   10.758   4.8352   11.010   9.0252   10.656   5.7263   81.600   30.975   81.597   24.854 0.3204346E-02 39.71418 
1 1 1   17    4   26 o   58.152   22.375   4.2994   4.7491  -2.3980   9.0532   6.8421   5.5783   56.625   26.189   67.761   24.606 -11.13682 35.93508 
1 1 1   17    4   27 o   83.826   25.999   11.673   6.2324   0.0000   0.0000   11.673   6.2324  ?   ?    83.826   25.999 0.000000 25.99916 
1 1 1   17    4   28 o   55.616   22.530   3.4254   5.0475   27.080   10.340  -3.9744   5.7834  120.327   32.438   42.973   20.220 77.35358 38.22392 
1 1 1   17    4   29 o   83.809   23.506   11.518   5.3096   9.3980   10.438   12.258   6.1672   75.597   31.680   84.752   25.789 -9.155334 40.84977 
1 1 1   17    4   30 o   49.049   21.537   0.8619   5.2649  -2.5350   10.910   1.8931   6.0111   58.595   27.632   53.531   23.268 5.064270 36.12341 
1 1 1   17    5    0 o  217.155   14.509   63.162   8.1141   57.550   12.395   67.370   10.733  201.442   24.242  221.833   18.858 -20.39088 30.71339 
1 1 1   17    5    1 o  169.557   16.240   38.947   7.0453   32.200   11.063   43.550   9.1377  146.489   30.161  177.301   20.260 -30.81136 36.33408 
1 1 1   17    5    2 o  218.326   14.305   63.797   8.0449   58.810   12.411   67.410   10.565  203.794   23.969  222.062   18.537 -18.26785 30.30048 
1 1 1   17    5    3 o   92.370   31.005   12.460   8.7530   12.460   8.7530   0.0000   0.0000   92.370   31.005  ?   ?  0.000000 31.00501 
1 1 1   17    5    4 o  158.184   26.457   36.390   10.458   36.390   10.458   0.0000   0.0000  158.184   26.457  ?   ?  0.000000 26.45718 
1 1 1   17    5    5 o   44.902   21.799 -12.0000   7.9577 -12.0000   7.9577   0.0000   0.0000   44.902   21.799  ?   ?  0.000000 21.79885 
1 1 1   17    5    6 o   99.027   30.104   14.810   8.4070   14.810   8.4070   0.0000   0.0000   99.027   30.104  ?   ?  0.000000 30.10445 
1 1 1   17    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   10 o  148.351   15.871   29.994   6.0042   0.0000   0.0000   29.994   6.0042  ?   ?   148.351   15.871 0.000000 15.87106 
1 1 1   17    5   11 f  122.484   18.489   20.940   5.6834   0.0000   0.0000   20.940   5.6834  ?   ?   122.484   18.489 0.000000 18.48882 
1 1 1   17    5   12 o  179.428   14.173   43.412   6.5336   0.0000   0.0000   43.412   6.5336  ?   ?   179.428   14.173 0.000000 14.17300 
1 1 1   17    5   13 o   67.223   22.719   6.1922   4.6999   0.0000   0.0000   6.1922   4.6999  ?   ?    67.223   22.719 0.000000 22.71866 
1 1 1   17    5   14 o   94.989   21.969   13.170   5.2978   0.0000   0.0000   13.170   5.2978  ?   ?    94.989   21.969 0.000000 21.96890 
1 1 1   17    5   15 o   85.455   23.639   10.831   5.4088   0.0000   0.0000   10.831   5.4088  ?   ?    85.455   23.639 0.000000 23.63850 
1 1 1   17    5   16 o   92.283   13.536   11.648   3.1395   12.146   3.7916   10.562   5.5995   93.231   16.293   84.109   24.322 9.122276 29.27549 
1 1 1   17    5   17 f  156.206   10.431   32.457   4.1963   23.407   5.2187   49.013   7.0584  130.273   15.788  189.934   14.455 -59.66202 21.40573 
1 1 1   17    5   18 o   86.187   17.318   10.560   3.7321   7.8980   4.7978   14.638   5.9389   73.393   22.819   98.740   23.550 -25.34735 32.79242 
1 1 1   17    5   19 o   49.311   22.023  -1.0389   5.7405   0.0000   0.0000  -1.0389   5.7405  ?   ?    49.311   22.023 0.000000 22.02345 
1 1 1   17    5   20 o  315.105   10.346  131.992   8.4448   93.600   13.915  154.377   10.625  254.356   21.316  339.185   12.093 -84.82941 24.50763 
1 1 1   17    5   21 o  192.643   10.960   49.723   5.4467   35.150   10.233   55.484   6.4339  149.460   27.442  202.657   12.315 -53.19745 30.07880 
1 1 1   17    5   22 o  122.074   15.078   20.764   4.6665   17.310   8.9409   22.057   5.4708  100.554   31.132  124.442   17.452 -23.88721 35.69039 
1 1 1   17    5   23 o  154.245   17.489   33.887   6.8642   32.740   9.9976   34.910   9.4412  142.061   28.164  149.756   25.236 -7.695511 37.81596 
1 1 1   17    5   24 o  256.413   11.906   88.898   7.9075   71.020   13.043   99.289   9.9434  215.412   23.771  268.111   14.370 -52.69864 27.77647 
1 1 1   17    5   25 o   62.155   22.339   5.4966   4.5822   5.2150   8.8321   5.6003   5.3600   68.495   28.945   63.610   23.935 4.884823 37.55936 
1 1 1   17    5   26 o   88.850   21.490   12.214   4.8918   10.780   9.5672   12.722   5.6921   80.293   31.513   88.958   24.103 -8.664711 39.67400 
1 1 1   17    5   27 f  141.018   15.832   28.323   5.6833   30.920   10.757   27.318   6.6939  130.349   32.076  135.296   19.677 -4.947357 37.63042 
1 1 1   17    5   28 o   36.778   17.926  -7.9254   5.5289  -1.4150   9.0993 -11.7358   6.9613   57.017   26.330   38.984   19.225 18.03289 32.60162 
1 1 1   17    5   29 o   75.920   23.601   9.4895   5.1322   1.5840   9.9265   12.374   5.9958   62.176   28.254   85.262   25.313 -23.08555 37.93463 
1 1 1   17    5   30 o  170.685   15.001   41.715   6.5651   42.560   13.123   41.433   7.5820  143.700   35.471  166.949   17.808 -23.24919 39.68983 
1 1 1   17    6    0 o  228.687   14.686   70.164   8.6536   47.900   12.839   88.700   11.715  180.372   28.419  255.196   17.834 -74.82373 33.55158 
1 1 1   17    6    1 o  163.809   17.248   36.633   7.2087   43.360   11.122   31.760   9.4666  173.453   25.516  147.988   25.623 25.46503 36.16106 
1 1 1   17    6    2 o  161.335   17.193   35.541   7.0743   25.660   10.959   42.600   9.2626  128.448   32.817  174.759   20.875 -46.31113 38.89399 
1 1 1   17    6    3 o   82.255   24.213   9.7766   5.5055   13.740   9.4224   7.7220   6.7841   95.969   32.169   76.234   27.204 19.73458 42.12962 
1 1 1   17    6    4 o   66.403   23.944   5.5493   5.2689   2.6820   8.4169   7.3970   6.7565   67.461   28.369   75.148   27.112 -7.687370 39.24098 
1 1 1   17    6    5 o  130.450   19.420   23.737   6.3619   21.140   9.6965   25.700   8.4301  116.963   31.362  132.679   25.455 -15.71600 40.39206 
1 1 1   17    6    6 o   75.911   25.204   8.0688   5.7866   11.450   9.4392   6.0330   7.3244   89.551   32.075   72.240   27.789 17.31038 42.43864 
1 1 1   17    6    7 o  139.469   17.457   26.772   6.1684   17.850   8.8582   35.170   8.5946  107.700   30.416  157.848   21.586 -50.14819 37.29686 
1 1 1   17    6    8 o  230.001   13.104   70.659   7.7749   0.0000   0.0000   70.659   7.7749  ?   ?   230.001   13.104 0.000000 13.10446 
1 1 1   17    6    9 o  214.044   13.477   61.372   7.4339   0.0000   0.0000   61.372   7.4339  ?   ?   214.044   13.477 0.000000 13.47675 
1 1 1   17    6   10 o  213.831   13.892   61.425   7.6532   0.0000   0.0000   61.425   7.6532  ?   ?   213.831   13.892 0.000000 13.89248 
1 1 1   17    6   11 o  106.517   20.864   16.263   5.5506   0.0000   0.0000   16.263   5.5506  ?   ?   106.517   20.864 0.000000 20.86371 
1 1 1   17    6   12 o   81.685   22.872   9.7686   5.0314   0.0000   0.0000   9.7686   5.0314  ?   ?    81.685   22.872 0.000000 22.87173 
1 1 1   17    6   13 o  117.294   19.106   19.415   5.6049   0.0000   0.0000   19.415   5.6049  ?   ?   117.294   19.106 0.000000 19.10553 
1 1 1   17    6   14 o  205.880   14.425   57.342   7.6440   0.0000   0.0000   57.342   7.6440  ?   ?   205.880   14.425 0.000000 14.42479 
1 1 1   17    6   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   16 o   99.186   12.794   13.367   3.2105   10.770   3.8274   19.533   5.8975   87.106   17.569  116.663   20.250 -29.55779 26.80927 
1 1 1   17    6   17 o   93.084   15.192   12.039   3.5366   8.7347   4.3712   18.300   6.0174   77.099   21.219  111.946   21.533 -34.84663 30.23132 
1 1 1   17    6   18 o   60.699   18.723   5.2137   3.2372   17.730   6.4237   0.9529   3.7479  108.754   23.490   45.229   18.970 63.52510 30.19344 
1 1 1   17    6   19 o  179.549   14.798   44.200   6.8212   0.0000   0.0000   44.200   6.8212  ?   ?   179.549   14.798 0.000000 14.79828 
1 1 1   17    6   20 o  157.390   11.704   33.368   4.7376   25.030   8.8546   36.713   5.6077  125.353   27.979  164.227   13.296 -38.87443 30.97770 
1 1 1   17    6   21 o  233.337   11.457   73.028   6.9245   68.410   11.564   75.609   8.6460  216.740   20.855  234.842   14.281 -18.10187 25.27556 
1 1 1   17    6   22 o   76.895   23.991   9.1384   5.2980   9.8460   8.1476   8.6200   6.9737   79.473   29.586   75.399   27.492 4.074844 40.38728 
1 1 1   17    6   23 o   76.365   21.096   8.8680   4.3111   0.2023   8.4349   11.932   5.0157   59.343   26.586   88.140   22.030 -28.79631 34.52756 
1 1 1   17    6   24 f   65.818   22.248   6.4459   4.5070   0.8082   8.6085   8.5748   5.2900   60.408   26.976   74.096   24.075 -13.68720 36.15613 
1 1 1   17    6   25 o   78.008   22.485   9.5302   4.7923  -2.9610   8.9611   14.534   5.6714   55.623   25.841   96.143   23.068 -40.51940 34.63963 
1 1 1   17    6   26 o  126.031   16.857   22.890   5.3653   35.230   10.669   18.714   6.2072  143.098   29.754  109.483   22.635 33.61433 37.38557 
1 1 1   17    6   27 o   63.480   23.188   5.9396   4.9646  -1.3490   9.7143   8.5162   5.7758   58.834   27.182   72.691   25.168 -13.85645 37.04487 
1 1 1   17    6   28 o  116.824   22.792   21.657   6.6495   14.530   10.575   26.316   8.5515   86.076   33.313  124.142   27.333 -38.06586 43.09111 
1 1 1   17    6   29 o   54.718   22.800   3.0700   5.3617   4.1850   10.541   2.6808   6.2275   66.420   29.741   55.921   23.990 10.49911 38.21059 
1 1 1   17    6   30 o   69.361   26.947   8.0751   6.9403   7.6090   11.295   8.3578   8.7966   70.970   31.338   70.741   29.317 0.2288132 42.91362 
1 1 1   17    7    0 o  184.790   16.468   46.410   7.7999   38.120   11.682   53.080   10.478  159.527   29.351  194.896   21.091 -35.36890 36.14314 
1 1 1   17    7    1 o  172.724   17.020   40.718   7.5161   33.780   11.539   45.830   9.9055  148.837   30.940  180.651   21.597 -31.81419 37.73191 
1 1 1   17    7    2 o  180.145   16.563   44.156   7.6423   28.430   11.812   55.480   10.023  134.120   33.964  200.257   19.573 -66.13634 39.19997 
1 1 1   17    7    3 o  145.862   19.481   29.619   7.1766   7.6730   11.161   45.090   9.3708   83.387   33.599  179.787   20.488 -96.40005 39.35275 
1 1 1   17    7    4 o  148.837   18.287   30.595   6.9020   14.320   10.256   44.070   9.3316   97.340   33.547  177.544   20.678 -80.20391 39.40788 
1 1 1   17    7    5 o  178.183   16.986   43.373   7.7450   45.140   11.735   42.010   10.309  175.556   26.643  171.161   23.904 4.395203 35.79489 
1 1 1   17    7    6 o  178.026   16.950   43.320   7.7219   17.440   11.501   64.560   10.420  105.075   35.540  216.389   18.775 -111.3138 40.19421 
1 1 1   17    7    7 o  178.504   16.984   43.596   7.7582   24.380   11.932   57.670   10.211  122.370   35.539  203.790   19.585 -81.42067 40.57847 
1 1 1   17    7    8 o  180.299   15.779   44.189   7.2949   28.580   10.346   59.620   10.287  136.357   30.098  207.240   19.389 -70.88301 35.80249 
1 1 1   17    7    9 f  269.661   12.963   96.958   9.0549   0.0000   0.0000   96.958   9.0549  ?   ?   269.661   12.963 0.000000 12.96329 
1 1 1   17    7   10 o  203.747   14.373   56.004   7.5368   0.0000   0.0000   56.004   7.5368  ?   ?   203.747   14.373 0.000000 14.37277 
1 1 1   17    7   11 o   51.718   21.318   1.7115   4.6166   0.0000   0.0000   1.7115   4.6166  ?   ?    51.718   21.318 0.000000 21.31839 
1 1 1   17    7   12 o  140.804   17.437   27.481   6.2238   0.0000   0.0000   27.481   6.2238  ?   ?   140.804   17.437 0.000000 17.43739 
1 1 1   17    7   13 o  151.385   16.764   31.609   6.4633   0.0000   0.0000   31.609   6.4633  ?   ?   151.385   16.764 0.000000 16.76378 
1 1 1   17    7   14 f   69.712   24.689   6.6215   5.5774   0.0000   0.0000   6.6215   5.5774  ?   ?    69.712   24.689 0.000000 24.68889 
1 1 1   17    7   15 o   69.546   24.892   6.5695   5.6841   0.0000   0.0000   6.5695   5.6841  ?   ?    69.546   24.892 0.000000 24.89232 
1 1 1   17    7   16 o  125.608   11.509   21.178   3.7030   16.394   4.3980   32.827   6.8634  108.521   16.137  153.363   17.595 -44.84170 23.87444 
1 1 1   17    7   17 f  141.034   11.224   26.646   4.0664   23.760   7.3746   27.907   4.8744  126.496   23.367  143.426   13.271 -16.92944 26.87293 
1 1 1   17    7   18 o   97.052   15.016   13.099   3.6530   14.800   6.7530   12.396   4.3434   97.421   26.194   92.688   18.735 4.733063 32.20419 
1 1 1   17    7   19 o   55.084   23.771   1.0746   6.1837   0.0000   0.0000   1.0746   6.1837  ?   ?    55.084   23.771 0.000000 23.77058 
1 1 1   17    7   20 o  109.838   15.277   16.847   4.2289   15.390   7.8307   17.447   5.0245   96.766   28.973  110.197   18.241 -13.43181 34.23706 
1 1 1   17    7   21 o  156.271   16.300   34.277   6.5011   21.780   9.4917   45.320   8.9225  112.545   31.380  176.771   19.828 -64.22611 37.11904 
1 1 1   17    7   22 o   53.030   20.423   3.2566   3.9594   7.6130   8.0534   1.8679   4.5469   73.388   28.877   50.578   21.029 22.81021 35.72275 
1 1 1   17    7   23 o  137.110   14.247   26.120   4.9859   15.820   9.4791   30.060   5.8624   93.937   32.259  146.119   15.737 -52.18196 35.89280 
1 1 1   17    7   24 o  144.086   17.531   29.905   6.4080   39.350   10.389   24.105   8.1412  156.152   26.641  121.527   26.600 34.62531 37.64713 
1 1 1   17    7   25 o  109.817   18.766   17.827   5.1465   35.700   9.7582   10.940   6.0574  148.312   26.367   81.589   25.685 66.72295 36.80956 
1 1 1   17    7   26 o  129.176   16.763   24.076   5.4768   19.830   10.769   25.557   6.3608   99.955   34.381  131.051   19.317 -31.09624 39.43567 
1 1 1   17    7   27 o   64.856   22.925   6.4205   4.8068 -10.3600   9.6331   11.984   5.5467   48.971   23.822   85.442   24.046 -36.47045 33.84879 
1 1 1   17    7   28 o   36.817   17.972  -8.0850   5.6171 -16.9600   9.4887  -3.2968   6.9695   43.318   21.550   47.932   22.439 -4.614712 31.11135 
1 1 1   17    7   29 o   84.767   24.027   12.126   5.5173   20.360   10.942   9.3192   6.3888   96.553   34.540   73.477   26.381 23.07614 43.46179 
1 1 1   17    8    0 o  184.947   17.227   46.801   8.1579   44.120   12.199   48.970   10.973  172.133   28.346  185.227   23.391 -13.09442 36.75058 
1 1 1   17    8    1 o   96.578   25.623   13.857   6.5158   19.490   10.623   10.460   8.2501  110.789   33.874   85.562   30.054 25.22702 45.28470 
1 1 1   17    8    2 o  176.556   17.327   42.716   7.8223   40.980   12.195   43.930   10.196  164.732   29.672  175.578   22.969 -10.84583 37.52333 
1 1 1   17    8    3 o  115.503   23.900   19.460   6.9149   9.6540   11.100   25.680   8.8398   86.876   33.987  131.345   26.888 -44.46927 43.33672 
1 1 1   17    8    4 o  182.892   17.179   45.808   8.0433   34.410   12.017   55.060   10.826  148.609   32.151  197.758   21.480 -49.14963 38.66614 
1 1 1   17    8    5 o  261.263   14.341   91.750   9.6682   84.520   14.085   98.190   13.295  244.350   22.507  266.350   19.403 -22.00031 29.71607 
1 1 1   17    8    6 o  225.243   15.096   68.569   8.7567   69.040   13.022   68.180   11.831  219.974   23.204  220.425   20.974 -0.4512939 31.27838 
1 1 1   17    8    7 o  282.317   14.239  107.157   10.379   90.510   15.172  121.800   14.230  251.551   23.558  297.282   18.572 -45.73036 29.99848 
1 1 1   17    8    8 o  119.012   23.174   20.625   6.8872   19.800   10.071   21.350   9.4396  111.288   32.745  116.658   30.789 -5.369591 44.94620 
1 1 1   17    8    9 o  243.582   14.335   79.984   9.0050   71.260   12.303   90.050   13.216  224.544   21.412  253.650   20.284 -29.10574 29.49454 
1 1 1   17    8   10 o  161.114   16.878   35.731   6.9391   0.0000   0.0000   35.731   6.9391  ?   ?   161.114   16.878 0.000000 16.87770 
1 1 1   17    8   11 o  195.521   15.255   51.987   7.6647   0.0000   0.0000   51.987   7.6647  ?   ?   195.521   15.255 0.000000 15.25460 
1 1 1   17    8   12 o  122.215   21.206   21.494   6.4698   0.0000   0.0000   21.494   6.4698  ?   ?   122.215   21.206 0.000000 21.20595 
1 1 1   17    8   13 o  203.829   15.433   56.672   8.0877   0.0000   0.0000   56.672   8.0877  ?   ?   203.829   15.433 0.000000 15.43272 
1 1 1   17    8   14 o  114.816   23.073   19.460   6.6239   0.0000   0.0000   19.460   6.6239  ?   ?   114.816   23.073 0.000000 23.07261 
1 1 1   17    8   15 o   92.047   12.970   11.569   3.0067   7.5065   3.3830   26.844   6.5599   72.253   18.111  137.767   18.879 -65.51469 26.16129 
1 1 1   17    8   16 o   93.401   14.407   12.061   3.3734   19.130   6.2220   9.1178   4.0147  114.132   21.842   79.052   19.682 35.07974 29.40168 
1 1 1   17    8   17 o  155.363   11.032   32.310   4.4109   20.680   7.7674   37.845   5.3588  115.329   26.550  167.486   12.441 -52.15678 29.32055 
1 1 1   17    8   18 o  100.086   14.664   13.905   3.6890   9.2970   6.7688   15.853   4.3999   78.399   27.240  106.067   16.555 -27.66866 31.87646 
1 1 1   17    8   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   20 o  177.387   14.114   43.244   6.4317   43.230   9.9296   43.254   8.4421  169.508   23.225  173.384   19.115 -3.875916 30.07981 
1 1 1   17    8   21 o   55.928   20.588   4.0490   3.9246   13.820   7.7562   0.6864   4.5501   90.803   29.117   47.450   20.434 43.35337 35.57123 
1 1 1   17    8   22 o   89.126   18.803   11.742   4.2044   10.840   8.4939   12.035   4.8387   81.345   30.223   88.809   21.307 -7.464333 36.97876 
1 1 1   17    8   23 o   92.166   19.894   12.773   4.6104   4.4050   8.8887   15.852   5.3925   67.015   28.702  102.143   21.080 -35.12798 35.61182 
1 1 1   17    8   24 o   71.508   22.588   7.9605   4.6814   6.4010   9.0062   8.5378   5.4798   70.559   29.487   73.417   24.533 -2.857925 38.35835 
1 1 1   17    8   25 o   77.820   22.138   9.5469   4.6750  -1.3340   9.2669   13.262   5.4145   58.042   26.721   91.343   22.921 -33.30085 35.20470 
1 1 1   17    8   26 o  242.684   12.911   81.256   8.0870   52.110   13.067   99.348   10.295  172.495   30.354  265.564   15.028 -93.06915 33.87054 
1 1 1   17    8   27 o   52.439   22.987   1.2003   5.9765   0.0000   0.0000   1.2003   5.9765  ?   ?    52.439   22.987 0.000000 22.98735 
1 1 1   17    8   28 f   75.149   23.545   9.3673   5.0968   12.160   10.367   8.4772   5.8530   79.757   32.296   71.292   25.287 8.464905 41.01773 
1 1 1   17    8   29 o   85.563   24.189   12.513   5.5997   23.390   11.292   8.9660   6.4483  101.792   35.195   71.866   26.400 29.92603 43.99622 
1 1 1   17    9    0 o  139.619   21.996   27.857   7.6916   28.700   12.006   27.270   10.017  133.214   34.514  133.188   29.783 0.2622986E-01 45.58746 
1 1 1   17    9    1 o   86.525   27.377   11.113   6.8744   3.7680   10.715   16.250   8.9615   74.612   31.723  102.144   31.088 -27.53198 44.41660 
1 1 1   17    9    2 o   66.676   26.215   4.7096   6.6322   19.820   10.085  -6.8060   8.8038  111.585   32.749   53.369   25.059 58.21626 41.23660 
1 1 1   17    9    3 o  131.631   23.296   25.106   7.6525   23.820   11.625   26.090   10.166  120.702   35.085  129.422   30.775 -8.719467 46.66953 
1 1 1   17    9    4 o  154.931   20.444   33.831   8.0043   35.640   12.066   32.410   10.697  150.956   31.859  145.673   29.362 5.283020 43.32573 
1 1 1   17    9    5 f  200.600   16.401   54.948   8.4476   49.220   12.308   60.050   11.616  182.260   26.876  205.548   22.167 -23.28755 34.83842 
1 1 1   17    9    6 o  144.107   20.651   29.424   7.4882   20.670   10.986   37.020   10.234  112.582   34.453  158.360   25.839 -45.77821 43.06557 
1 1 1   17    9    7 o   74.938   26.796   7.6928   6.5850   6.3900   10.468   8.5460   8.4711   78.456   32.193   79.914   30.085 -1.457878 44.06243 
1 1 1   17    9    8 f  193.137   17.509   51.448   8.6642   50.900   12.468   51.960   12.049  184.951   26.807  188.113   25.374 -3.162430 36.91137 
1 1 1   17    9    9 o  134.937   22.581   26.379   7.6137   11.550   10.599   42.190   10.944   89.160   33.634  168.749   25.862 -79.58816 42.42739 
1 1 1   17    9   10 o  253.473   22.022   91.610   14.315   0.0000   0.0000   91.610   14.315  ?   ?   253.473   22.022 0.000000 22.02194 
1 1 1   17    9   11 o  103.360   23.785   15.902   6.2357   0.0000   0.0000   15.902   6.2357  ?   ?   103.360   23.785 0.000000 23.78475 
1 1 1   17    9   12 o   91.348   25.606   12.683   6.3025   0.0000   0.0000   12.683   6.3025  ?   ?    91.348   25.606 0.000000 25.60568 
1 1 1   17    9   13 o  139.307   20.549   27.800   7.1925   0.0000   0.0000   27.800   7.1925  ?   ?   139.307   20.549 0.000000 20.54917 
1 1 1   17    9   14 o   60.136   24.843   2.8878   6.2876   0.0000   0.0000   2.8878   6.2876  ?   ?    60.136   24.843 0.000000 24.84271 
1 1 1   17    9   15 o  150.947   10.483   30.384   4.0735   14.680   6.8449   38.997   5.0689   97.146   26.477  170.591   11.539 -73.44568 28.88236 
1 1 1   17    9   16 o  201.265   9.6962   53.639   5.0550   29.950   8.7982   65.313   6.1761  140.625   25.073  221.525   10.763 -80.89960 27.28555 
1 1 1   17    9   17 f   53.471   19.435   3.5890   3.4814  -1.3050   5.6741   6.5437   4.4087   48.298   21.710   67.221   21.985 -18.92298 30.89712 
1 1 1   17    9   18 o  123.883   16.101   21.507   5.0445   16.570   7.5705   25.450   6.7652  101.170   27.958  132.058   20.438 -30.88793 34.63154 
1 1 1   17    9   19 o   81.484   27.326   10.523   6.7989   0.0000   0.0000   10.523   6.7989  ?   ?    81.484   27.326 0.000000 27.32594 
1 1 1   17    9   20 o  157.824   12.191   33.843   4.9450   17.560   9.2624   40.335   5.8482  100.021   31.792  171.655   13.255 -71.63395 34.44444 
1 1 1   17    9   21 o   82.910   19.642   10.297   4.1535   16.830   8.2839   8.1032   4.8005   98.827   29.847   72.601   22.867 26.22633 37.60012 
1 1 1   17    9   22 o   91.538   18.813   12.425   4.3116   0.2697   8.6235   16.476   4.9786   59.436   26.735  105.721   18.872 -46.28456 32.72530 
1 1 1   17    9   23 o   99.134   19.224   14.661   4.7583   9.0860   8.8571   16.923   5.6416   76.147   30.182  105.064   21.455 -28.91621 37.03077 
1 1 1   17    9   24 o   92.300   20.129   12.976   4.6769   21.200   9.4337   10.297   5.3852  107.134   31.738   79.784   24.059 27.35006 39.82631 
1 1 1   17    9   25 o  140.004   15.578   27.930   5.5535   27.290   10.787   28.161   6.4781  119.172   33.531  138.046   18.589 -18.87355 38.33914 
1 1 1   17    9   26 f   79.129   23.236   10.198   5.0756   23.730   9.7973   5.2344   5.9340  111.444   32.157   62.147   24.682 49.29634 40.53686 
1 1 1   17    9   27 o  107.942   27.895   20.654   7.8558   0.0000   0.0000   20.654   7.8558  ?   ?   107.942   27.895 0.000000 27.89512 
1 1 1   17    9   28 o  114.850   19.380   20.238   5.5603   26.970   11.058   17.959   6.4326  112.532   34.586  103.265   24.430 9.267342 42.34445 
1 1 1   17    9   29 o   54.361   23.588   2.4955   6.1565   1.6080   10.398   2.9746   7.6398   61.043   28.174   58.372   25.774 2.671452 38.18518 
1 1 1   17   10    0 o  159.990   10.432   33.956   4.2994   20.460   13.348   35.518   4.5414  110.292   38.257  163.512   10.783 -53.21998 39.74780 
1 1 1   17   10    1 o  204.380   17.951   57.690   9.4069   36.250   13.247   79.500   13.361  149.101   34.914  236.545   22.060 -87.44388 41.29909 
1 1 1   17   10    2 f   76.288   27.706   7.9273   7.0727   6.5980   10.095   9.2090   9.9124   78.148   31.787   83.422   32.261 -5.273888 45.29042 
1 1 1   17   10    3 o  170.563   19.319   40.706   8.3846   29.550   12.052   51.170   11.673  134.423   34.453  187.339   24.653 -52.91612 42.36480 
1 1 1   17   10    4 o  181.238   18.963   45.814   8.7705   46.480   13.292   45.300   11.672  173.233   30.749  174.460   26.676 -1.226593 40.70691 
1 1 1   17   10    5 o   83.537   27.401   10.362   6.8467   13.200   10.375   8.1720   9.1131   92.981   33.588   79.739   30.906 13.24213 45.64374 
1 1 1   17   10    6 o   90.083   27.395   12.347   6.9608   11.330   10.669   13.100   9.1851   88.691   33.675   92.213   31.750 -3.522141 46.28251 
1 1 1   17   10    7 o   85.960   27.947   11.139   7.1282   3.9700   10.594   17.070   9.6359   73.879   31.480  103.029   32.389 -29.14996 45.16702 
1 1 1   17   10    8 o   77.084   28.313   8.1794   7.4159   7.4700   10.567   8.8680   10.410   80.153   32.553   82.779   32.749 -2.625435 46.17617 
1 1 1   17   10    9 o  180.045   19.462   45.598   8.9319   43.270   12.574   47.970   12.690  166.627   30.246  177.109   28.639 -10.48224 41.65355 
1 1 1   17   10   10 o   86.976   27.492   11.547   6.9336   7.9060   9.3335   16.030   10.357   78.856   31.069   99.277   33.725 -20.42039 45.85492 
1 1 1   17   10   11 o  172.639   17.448   41.419   7.6955   0.0000   0.0000   41.419   7.6955  ?   ?   172.639   17.448 0.000000 17.44834 
1 1 1   17   10   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   13 o  141.971   21.049   29.119   7.5064   0.0000   0.0000   29.119   7.5064  ?   ?   141.971   21.049 0.000000 21.04939 
1 1 1   17   10   14 o  196.838   9.4220   51.218   4.8040   38.860   8.3042   57.434   5.8895  164.979   19.829  207.414   11.001 -42.43561 22.67669 
1 1 1   17   10   15 o   88.593   16.966   11.166   3.7515   1.4720   5.5805   19.160   5.0674   54.007   22.926  116.485   17.322 -62.47738 28.73383 
1 1 1   17   10   16 f  118.328   15.038   19.419   4.5051   10.730   6.6474   26.800   6.1268   82.936   26.989  137.721   17.575 -54.78433 32.20714 
1 1 1   17   10   17 o   91.121   16.555   11.817   3.7634   21.070   7.2984   8.4655   4.3924  116.759   24.892   75.116   21.489 41.64309 32.88483 
1 1 1   17   10   18 o  254.572   13.247   88.268   8.7054   0.0000   0.0000   88.268   8.7054  ?   ?   254.572   13.247 0.000000 13.24745 
1 1 1   17   10   19 o  194.703   10.851   50.948   5.4508   24.550   9.8012   62.769   6.5586  119.179   31.334  215.472   11.796 -96.29363 33.48064 
1 1 1   17   10   20 o  219.441   11.748   65.210   6.6535   36.000   10.939   82.363   8.3825  146.462   29.846  245.261   13.244 -98.79913 32.65244 
1 1 1   17   10   21 o   94.888   18.214   13.233   4.3140   18.750   8.8043   11.490   4.9489  102.887   30.703   85.992   22.098 16.89543 37.82823 
1 1 1   17   10   22 o  103.543   18.033   15.731   4.6608   10.780   9.2395   17.421   5.3980   80.145   31.104  107.617   20.104 -27.47144 37.03537 
1 1 1   17   10   23 o   79.579   22.279   10.007   4.7743   14.820   9.1317   8.1969   5.6008   89.640   31.607   71.852   24.789 17.78748 40.16894 
1 1 1   17   10   24 o   49.245   20.766   1.7133   4.5300  -5.6430   9.1944   4.0715   5.2057   52.385   24.899   57.827   23.070 -5.442047 33.94328 
1 1 1   17   10   25 o   54.168   21.760   3.3528   4.6656   5.1290   9.0968   2.7188   5.4349   66.807   28.830   54.446   22.841 12.36107 36.78153 
1 1 1   17   10   26 o  136.781   16.601   27.251   5.7613   25.110   11.428   27.981   6.6711  108.489   35.391  135.900   19.510 -27.41142 40.41293 
1 1 1   17   10   27 o   54.236   25.036  -0.9834   8.2144   0.0000   0.0000  -0.9834   8.2144  ?   ?    54.236   25.036 0.000000 25.03609 
1 1 1   17   10   28 o   50.186   21.549   1.8945   5.0332   5.8210   9.8960   0.5243   5.8458   66.530   29.358   49.664   22.200 16.86615 36.80621 
1 1 1   17   11    0 o  273.787   13.383  100.534   9.4909   0.0000   0.0000  100.534   9.4909  ?   ?   273.787   13.383 0.000000 13.38276 
1 1 1   17   11    1 o  144.401   11.573   27.885   4.2923   0.0000   0.0000   27.885   4.2923  ?   ?   144.401   11.573 0.000000 11.57278 
1 1 1   17   11    2 o   86.617   28.777   11.353   7.5427   2.0550   10.340   21.930   11.028   70.000   30.471  114.926   34.376 -44.92641 45.93721 
1 1 1   17   11    3 o  160.329   21.111   36.691   8.5544   19.910   11.833   55.060   12.381  108.800   36.039  193.149   25.359 -84.34882 44.06650 
1 1 1   17   11    4 o  209.916   18.171   61.215   9.7827   54.570   14.548   66.700   13.217  186.660   31.190  213.705   24.309 -27.04507 39.54412 
1 1 1   17   11    5 o   64.168   26.570   3.3159   7.2163  -4.1610   11.147   8.7100   9.4680   63.332   29.210   81.018   31.474 -17.68607 42.94026 
1 1 1   17   11    6 o   93.787   28.142   13.643   7.3821  -3.6860   11.039   27.660   9.9285   63.547   29.221  132.813   29.615 -69.26555 41.60415 
1 1 1   17   11    7 o  164.527   21.908   39.007   9.1045   23.240   12.527   56.660   13.255  115.799   36.990  193.825   27.146 -78.02608 45.88200 
1 1 1   17   11    8 o  190.647   19.009   51.038   9.2620   55.040   13.118   47.060   13.079  190.626   27.350  173.423   30.213 17.20224 40.75361 
1 1 1   17   11    9 o   78.639   28.314   8.9080   7.3646   3.2900   10.016   15.520   10.866   70.772   30.394   97.454   34.466 -26.68150 45.95323 
1 1 1   17   11   10 o  129.023   23.679   24.708   7.6222   12.230   9.9408   42.510   11.874   89.031   32.768  165.566   28.728 -76.53506 43.57797 
1 1 1   17   11   11 o  191.938   27.065   56.100   13.083   0.0000   0.0000   56.100   13.083  ?   ?   191.938   27.065 0.000000 27.06513 
1 1 1   17   11   12 o  116.265   16.491   18.900   4.8272   0.0000   0.0000   18.900   4.8272  ?   ?   116.265   16.491 0.000000 16.49059 
1 1 1   17   11   13 o   75.199   16.332   8.0513   3.0901   8.1770   4.4994   7.9390   4.2513   74.248   21.898   73.323   21.190 0.9248276 30.47230 
1 1 1   17   11   14 o  125.182   13.793   21.470   4.3984   17.780   6.4651   24.650   6.0014  108.259   23.711  131.811   18.052 -23.55155 29.80042 
1 1 1   17   11   15 o   90.642   15.100   11.513   3.4206   6.2090   5.9035   14.193   4.1969   67.656   25.185  100.026   16.793 -32.37037 30.27040 
1 1 1   17   11   16 f   98.184   14.964   13.483   3.6854   7.7300   6.6515   16.031   4.4271   72.936   26.810  106.370   16.611 -33.43337 31.53876 
1 1 1   17   11   17 o  131.205   12.978   23.557   4.3530   6.5850   8.1083   30.429   5.1595   71.435   28.689  148.931   13.522 -77.49600 31.71603 
1 1 1   17   11   18 o  135.372   23.222   27.976   7.8496   0.0000   0.0000   27.976   7.8496  ?   ?   135.372   23.222 0.000000 23.22154 
1 1 1   17   11   19 o  144.322   12.697   28.530   4.6983   11.890   8.6837   35.417   5.5866   83.937   30.666  160.293   13.583 -76.35573 33.53981 
1 1 1   17   11   20 o  201.131   10.923   54.603   5.6695   26.280   10.694   65.677   6.6866  119.361   33.317  219.919   11.781 -100.5583 35.33811 
1 1 1   17   11   21 o  270.243   11.303   98.780   7.9120   52.980   12.879  126.542   10.027  177.492   29.016  304.144   12.728 -126.6522 31.68450 
1 1 1   17   11   22 o   43.578   19.144   0.0504   4.1649  -9.5910   8.1235   3.4885   4.8510   45.274   21.990   55.448   22.218 -10.17422 31.26019 
1 1 1   17   11   23 o   54.438   21.462   3.5466   4.4563   4.4580   8.7304   3.2255   5.1823   65.445   28.243   55.330   22.671 10.11518 36.21676 
1 1 1   17   11   24 o  118.168   18.291   20.751   5.4178   21.200   10.491   20.588   6.3267  102.285   33.936  114.410   22.149 -12.12494 40.52412 
1 1 1   17   11   25 o   57.405   22.809   4.2296   5.0699   13.310   10.251   1.2892   5.8333   82.676   32.565   51.972   22.748 30.70469 39.72347 
1 1 1   17   11   26 o   78.978   23.650   10.465   5.2172   10.350   10.838   10.500   5.9522   75.838   32.058   77.819   25.549 -1.980927 40.99344 
1 1 1   17   11   27 f  101.592   31.076   20.631   8.9394   0.0000   0.0000   20.631   8.9394  ?   ?   101.592   31.076 0.000000 31.07636 
1 1 1   17   11   28 o   67.768   26.986   7.9053   7.1112   1.6530   10.968   12.440   9.3406   61.366   28.535   77.706   30.933 -16.34016 42.08463 
1 1 1   17   12    0 o   53.091   19.359   3.4261   3.4581  -8.1590   13.422   4.2498   3.5789   64.779   30.579   56.901   19.806 7.878510 36.43240 
1 1 1   17   12    1 o  178.113   11.424   42.383   5.2429   35.300   14.369   43.471   5.6312  141.629   38.262  180.038   12.146 -38.40886 40.14383 
1 1 1   17   12    2 o  131.299   36.456   29.740   12.839   29.740   12.839   0.0000   0.0000  131.299   36.456  ?   ?  0.000000 36.45603 
1 1 1   17   12    3 o  179.627   10.655   42.940   4.9355   20.060   13.137   46.700   5.3256  107.400   37.906  187.173   11.033 -79.77254 39.47869 
1 1 1   17   12    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12    9 o   52.965   25.049  -7.1500   9.0840  -7.1500   9.0840   0.0000   0.0000   52.965   25.049  ?   ?  0.000000 25.04922 
1 1 1   17   12   10 o  114.575   31.037   21.600   9.4394   21.600   9.4394   0.0000   0.0000  114.575   31.037  ?   ?  0.000000 31.03704 
1 1 1   17   12   11 o   52.705   18.026   3.6890   2.9593   11.150   8.8620   2.7526   3.1395   84.916   30.987   48.989   18.340 35.92709 36.00740 
1 1 1   17   12   12 o   60.684   16.358   5.2609   2.6296   3.6003   3.8583   6.7015   3.5935   54.566   20.351   67.784   19.451 -13.21749 28.15119 
1 1 1   17   12   13 o  182.563   9.8517   44.361   4.6416   29.080   7.9784   52.179   5.7067  139.657   22.845  197.268   11.214 -57.61061 25.44896 
1 1 1   17   12   14 o   30.504   14.138  -1.9680   2.6591  -6.6960   4.6730   0.2960   3.2337   34.783   16.843   40.332   17.294 -5.549084 24.14084 
1 1 1   17   12   15 o   35.676   15.883  -0.7297   2.9606  -0.8305   5.2333  -0.6823   3.5904   47.063   21.023   39.494   17.542 7.569714 27.38086 
1 1 1   17   12   16 o   46.010   18.321   1.9679   3.2777  -0.5057   6.0068   3.0167   3.9113   50.619   22.574   52.098   20.232 -1.479568 30.31385 
1 1 1   17   12   17 o   78.952   26.757   9.9667   6.5195   0.0000   0.0000   9.9667   6.5195  ?   ?    78.952   26.757 0.000000 26.75713 
1 1 1   17   12   18 o  120.357   14.583   20.270   4.4537   19.230   8.4094   20.675   5.2505  105.588   29.571  119.744   17.440 -14.15634 34.33035 
1 1 1   17   12   19 o  120.420   19.706   21.566   5.9342   22.760   8.8918   20.608   7.9684  114.492   29.721  110.629   27.831 3.862228 40.71782 
1 1 1   17   12   20 o   90.115   19.898   12.326   4.5205   6.4530   8.6702   14.519   5.2976   69.922   29.052   96.747   21.677 -26.82503 36.24775 
1 1 1   17   12   21 o   79.023   21.696   9.8284   4.5764   24.130   8.8437   4.5982   5.3482  117.417   29.200   59.770   23.528 57.64698 37.49950 
1 1 1   17   12   22 o  111.623   17.597   18.326   4.9194   12.240   9.5400   20.531   5.7417   81.910   31.657  116.567   19.719 -34.65701 37.29615 
1 1 1   17   12   23 o   66.220   23.023   6.8607   4.8353   2.1540   8.9179   8.8205   5.7547   61.334   27.418   73.084   25.133 -11.74959 37.19376 
1 1 1   17   12   24 o  116.991   18.598   20.569   5.4473   3.8540   10.587   26.587   6.3527   66.138   29.697  132.840   19.004 -66.70174 35.25708 
1 1 1   17   12   25 o   81.500   23.428   11.108   5.2093   5.6200   9.9383   13.187   6.1169   67.248   29.557   87.101   25.489 -19.85346 39.02927 
1 1 1   17   12   26 o   73.697   26.011   9.5754   6.1855   0.0000   0.0000   9.5754   6.1855  ?   ?    73.697   26.011 0.000000 26.01055 
1 1 1   17   12   27 o   54.893   24.509   1.8225   7.1029  -6.0390   10.825   7.7660   9.4125   53.507   25.844   68.530   29.449 -15.02290 39.18066 
1 1 1   17   13    0 o  143.577   16.639   28.679   6.0733   28.800   14.853   28.655   6.6551  123.869   40.344  142.410   18.477 -18.54112 44.37410 
1 1 1   17   13    1 o  108.722   14.593   16.289   4.0060   5.7060   13.247   17.354   4.2028   80.147   34.688  112.164   14.829 -32.01748 37.72510 
1 1 1   17   13    2 o   88.947   16.266   11.142   3.6096   26.930   12.861   9.7925   3.7607  122.934   37.203   82.542   18.089 40.39143 41.36765 
1 1 1   17   13    3 o  205.430   10.021   55.911   5.3324   35.270   13.330   59.843   5.8182  142.785   36.039  212.258   10.582 -69.47293 37.56036 
1 1 1   17   13    4 o  238.914   9.6292   75.502   5.9591   39.320   15.635   81.652   6.4457  146.038   40.105  248.236   10.024 -102.1981 41.33918 
1 1 1   17   13    5 o  137.626   11.403   25.426   4.0285   10.460   12.379   27.199   4.2604   86.554   35.203  142.258   11.664 -55.70435 37.08529 
1 1 1   17   13    6 o   79.654   14.887   8.8818   2.9587   4.3020   10.594   9.2692   3.0813   73.035   31.310   81.299   15.191 -8.264061 34.80002 
1 1 1   17   13    7 o   41.685   15.757   1.8461   2.3292   8.6110   9.8727   1.4474   2.3968   79.926   31.807   40.167   15.770 39.75876 35.50160 
1 1 1   17   13    8 o  162.240   10.168   35.070   4.2517   28.070   11.080   36.278   4.6041  128.883   33.036  164.706   10.852 -35.82336 34.77320 
1 1 1   17   13    9 o  152.305   10.358   30.970   4.0621   13.300   10.478   34.095   4.4067   90.448   33.575  159.672   10.717 -69.22443 35.24380 
1 1 1   17   13   10 o  109.382   16.669   16.873   4.5736   1.6250   10.278   20.638   5.1071   67.436   29.830  121.132   16.723 -53.69629 34.19725 
1 1 1   17   13   11 o  132.676   11.351   23.715   3.8634   17.008   5.4018   30.739   5.5278  107.812   20.082  149.466   14.458 -41.65371 24.74507 
1 1 1   17   13   12 o  150.364   11.080   30.393   4.2851   19.524   6.0138   41.604   6.1075  114.944   20.971  174.486   13.621 -59.54174 25.00621 
1 1 1   17   13   13 o  132.619   12.893   24.021   4.3730   13.360   6.8956   31.194   5.6558   90.921   27.181  150.139   14.733 -59.21854 30.91660 
1 1 1   17   13   14 f  212.233   9.7557   59.944   5.3632   40.260   9.4682   69.244   6.5079  163.372   23.011  227.238   11.056 -63.86621 25.52981 
1 1 1   17   13   15 o  105.513   14.965   15.630   3.9754   10.320   7.2260   17.935   4.7606   80.091   28.127  111.991   16.940 -31.90018 32.83466 
1 1 1   17   13   16 o   98.043   27.720   16.072   7.3532   0.0000   0.0000   16.072   7.3532  ?   ?    98.043   27.720 0.000000 27.71960 
1 1 1   17   13   17 o  141.107   12.542   27.309   4.5365   20.150   8.3853   30.271   5.3941  108.153   29.234  147.412   14.307 -39.25854 32.54691 
1 1 1   17   13   18 f  101.616   16.966   14.978   4.3082   6.0550   8.4217   18.140   5.0139   68.951   28.639  111.311   18.004 -42.35950 33.82852 
1 1 1   17   13   19 o  153.560   13.070   32.616   5.1495   12.820   9.7354   40.306   6.0678   84.103   32.112  170.118   13.891 -86.01499 34.98803 
1 1 1   17   13   20 o   46.671   19.852   1.2316   4.1996  -9.1700   7.9218   5.2975   4.9528   44.816   21.755   61.161   23.009 -16.34447 31.66522 
1 1 1   17   13   21 o  101.084   19.985   15.633   5.0474   0.5639   9.3011   21.923   6.0091   59.942   27.282  120.094   20.022 -60.15244 33.84027 
1 1 1   17   13   22 o   87.492   21.714   12.199   4.8978   6.6570   9.2115   14.384   5.7831   69.275   29.432   93.452   23.820 -24.17699 37.86359 
1 1 1   17   13   23 o   57.562   22.451   4.4758   4.8319   0.4474   9.4218   5.9134   5.6285   59.249   27.153   63.106   24.337 -3.856697 36.46272 
1 1 1   17   13   24 f   84.867   23.117   11.987   5.2197   11.090   9.9249   12.329   6.1370   76.846   31.418   83.787   25.768 -6.940369 40.63355 
1 1 1   17   13   25 o  114.682   25.442   22.675   7.3601   32.690   11.105   14.830   9.8287  126.266   33.429   83.852   32.206 42.41480 46.41904 
1 1 1   17   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   27 o   61.451   28.797   1.9880   11.530   1.9880   11.530   0.0000   0.0000   61.451   28.797  ?   ?  0.000000 28.79740 
1 1 1   17   14    0 o   58.741   23.042   3.7881   5.1125   1.9020   13.269   4.1169   5.5402   74.180   33.282   60.860   23.950 13.32001 41.00363 
1 1 1   17   14    1 o  117.053   14.403   18.878   4.2749   10.830   13.063   19.844   4.5241   87.099   35.876  119.800   14.901 -32.70039 38.84771 
1 1 1   17   14    2 o   93.940   16.696   12.499   3.9139  -3.7450   12.761   14.186   4.1121   66.535   30.886  100.359   16.384 -33.82483 34.96195 
1 1 1   17   14    3 o  135.551   12.570   24.907   4.3632   10.430   12.593   26.882   4.6513   85.920   35.288  140.694   12.907 -54.77393 37.57462 
1 1 1   17   14    4 o  118.463   13.610   19.221   4.1005   6.5660   13.486   20.510   4.3043   80.709   34.966  122.308   13.829 -41.59842 37.60145 
1 1 1   17   14    5 f  114.292   13.953   17.961   4.0450 -14.4700   12.729   21.604   4.2661   56.649   27.517  125.795   13.294 -69.14599 30.56037 
1 1 1   17   14    6 o   81.840   17.003   9.5944   3.4868  -3.8530   10.092   11.417   3.7156   59.446   27.550   89.638   16.614 -30.19189 32.17146 
1 1 1   17   14    7 o   87.183   15.737   10.731   3.4231   8.3560   10.686   11.002   3.6135   79.593   32.578   87.984   16.460 -8.390602 36.49983 
1 1 1   17   14    8 o  171.438   10.776   39.364   4.7612   7.5270   11.549   45.882   5.2259   78.962   33.220  185.036   10.952 -106.0743 34.97852 
1 1 1   17   14    9 o  134.414   15.010   25.057   5.1367   12.730   10.430   29.004   5.9022   88.101   33.333  144.027   16.096 -55.92619 37.01604 
1 1 1   17   14   10 o  102.433   14.925   14.660   3.8437   10.186   5.3546   19.415   5.5209   81.184   23.874  115.700   19.087 -34.51649 30.56586 
1 1 1   17   14   11 o   65.972   18.901   6.3934   3.3956   3.6433   4.7763   9.2035   4.8282   56.823   22.277   77.573   22.629 -20.74931 31.75455 
1 1 1   17   14   12 o   95.118   15.519   12.792   3.6917   9.3233   5.2734   16.126   5.1699   77.518   23.894  104.509   19.823 -26.99137 31.04652 
1 1 1   17   14   13 o   77.577   18.772   8.9243   3.7313   4.7547   5.4297   12.656   5.1363   61.496   23.850   90.808   22.056 -29.31183 32.48523 
1 1 1   17   14   14 o  116.946   13.724   18.972   4.0783   8.1630   7.2924   23.892   4.9196   73.533   27.860  130.717   14.790 -57.18383 31.54237 
1 1 1   17   14   15 o  106.171   26.124   18.425   7.1355   0.0000   0.0000   18.425   7.1355  ?   ?   106.171   26.124 0.000000 26.12402 
1 1 1   17   14   16 o  215.648   11.581   63.164   6.4454   33.120   10.358   82.148   8.2337  139.016   29.668  244.497   13.048 -105.4812 32.41077 
1 1 1   17   14   17 o  177.812   12.848   43.557   5.8780   19.750   9.7350   57.215   7.3738  102.129   32.607  202.651   14.136 -100.5215 35.53899 
1 1 1   17   14   18 o   49.234   19.756   2.4913   3.8414   3.3120   7.8814   2.2355   4.3994   61.846   26.762   50.276   20.776 11.57000 33.87984 
1 1 1   17   14   19 o   67.939   21.564   7.2233   4.2627   7.3240   8.5641   7.1901   4.9147   70.524   29.049   67.638   23.228 2.886589 37.19401 
1 1 1   17   14   20 o   79.961   21.487   10.176   4.5457   17.440   8.9168   7.6249   5.2838   95.292   31.271   68.943   24.061 26.34896 39.45614 
1 1 1   17   14   21 o   55.267   21.993   3.7838   4.7201   13.930   8.8135  -0.2968   5.5893   85.156   30.928   47.913   21.541 37.24279 37.68980 
1 1 1   17   14   22 o  140.729   15.698   28.639   5.6247   23.210   10.750   30.686   6.6004  104.420   34.337  143.261   18.197 -38.84122 38.86122 
1 1 1   17   14   23 o  130.901   16.628   25.237   5.5110   29.910   10.794   23.589   6.4093  121.189   33.341  122.406   20.969 -1.217621 39.38637 
1 1 1   17   14   24 o   79.508   27.901   11.892   7.1094  -6.7590   10.589   27.200   9.5932   52.789   25.512  117.770   31.017 -64.98036 40.16139 
1 1 1   17   14   25 f   47.607   21.806  -0.7295   6.0659   0.0000   0.0000  -0.7295   6.0659  ?   ?    47.607   21.806 0.000000 21.80598 
1 1 1   17   14   26 o   43.098   19.988  -1.7061   5.3272 -11.7300   10.610   1.6726   6.1599   47.899   23.642   51.741   22.980 -3.842636 32.97010 
1 1 1   17   15    0 o  182.509   11.873   44.927   5.5826   29.250   13.921   47.931   6.0941  123.136   38.958  188.082   12.581 -64.94613 40.93873 
1 1 1   17   15    1 o  111.484   20.231   18.226   5.6270   14.550   13.245   19.036   6.2158   92.546   36.837  112.790   22.066 -20.24377 42.94019 
1 1 1   17   15    2 o  158.602   15.313   34.870   6.2129   18.160   13.371   39.471   7.0163   99.448   37.714  168.083   16.321 -68.63551 41.09415 
1 1 1   17   15    3 o  129.174   13.247   22.826   4.3697   11.860   14.468   23.927   4.5837   88.469   37.198  132.098   13.590 -43.62868 39.60300 
1 1 1   17   15    4 o  137.925   12.824   25.920   4.5290   5.6360   13.485   28.499   4.8083   78.315   34.425  144.587   12.977 -66.27190 36.78970 
1 1 1   17   15    5 o  118.065   14.326   19.289   4.2915   5.2160   13.034   21.000   4.5449   76.972   33.839  123.141   14.528 -46.16931 36.82635 
1 1 1   17   15    6 o  218.475   10.274   63.623   5.8141   38.070   14.144   68.818   6.3779  142.898   37.675  226.848   10.854 -83.94966 39.20770 
1 1 1   17   15    7 o   83.558   17.050   10.064   3.5654  -7.4590   10.205   12.500   3.8052   55.136   26.214   93.759   16.257 -38.62340 30.84548 
1 1 1   17   15    8 o   51.649   20.596   2.6417   4.1478  -3.2980   10.235   3.8090   4.5371   59.707   27.696   56.681   21.853 3.026062 35.27891 
1 1 1   17   15    9 o   92.250   16.718   12.203   3.8477   9.1076   5.4863   15.198   5.3977   76.576   24.481  100.372   21.414 -23.79652 32.52509 
1 1 1   17   15   10 o  116.805   14.224   18.965   4.2148   12.012   6.0004   25.737   5.9217   86.715   25.208  134.142   17.456 -47.42731 30.66158 
1 1 1   17   15   11 o   66.607   19.754   6.6167   3.6529   4.6452   5.3268   8.3670   5.0189   60.834   23.615   73.568   23.404 -12.73409 33.24788 
1 1 1   17   15   12 o  115.327   14.890   18.684   4.3441   12.688   6.1840   24.526   6.1038   88.367   25.562  129.627   18.721 -41.25953 31.68441 
1 1 1   17   15   13 o  129.920   25.095   26.877   8.1397   27.710   11.188   25.940   11.864  121.542   34.133  114.802   35.915 6.739914 49.54710 
1 1 1   17   15   14 o   56.783   22.559   3.7691   4.9590   2.6188   5.5622   8.2260   10.949   55.224   23.134   75.945   32.168 -20.72085 39.62275 
1 1 1   17   15   15 f  107.450   16.878   16.753   4.5428   5.7800   7.9107   22.153   5.5490   67.241   27.829  123.002   17.944 -55.76162 33.11239 
1 1 1   17   15   16 o  116.825   15.935   19.601   4.6963   13.920   8.6310   21.990   5.5975   87.106   30.727  122.054   18.266 -34.94857 35.74645 
1 1 1   17   15   17 o  112.816   16.685   18.524   4.7287   27.120   9.0341   15.280   5.5497  124.787   28.566   98.094   22.341 26.69337 36.26434 
1 1 1   17   15   18 o  107.051   17.650   16.979   4.7236   8.3420   8.5272   20.803   5.6736   72.229   29.275  117.281   19.351 -45.05204 35.09275 
1 1 1   17   15   19 o   66.945   22.651   7.1346   4.6719  -0.7315   9.2051   9.8639   5.4222   57.375   26.491   76.745   24.317 -19.36972 35.95975 
1 1 1   17   15   20 o   33.130   16.000  -5.2349   4.1472  -6.4560   8.3654  -4.8370   4.7754   48.209   23.139   36.822   17.623 11.38680 29.08624 
1 1 1   17   15   21 o   51.191   21.355   2.5304   4.7113   5.2560   9.1211   1.5385   5.5021   65.425   28.546   51.039   22.223 14.38594 36.17640 
1 1 1   17   15   22 f   58.770   24.417   4.3574   6.1234  -9.3910   9.4249   14.400   8.0552   47.915   23.365   85.675   29.719 -37.75968 37.80414 
1 1 1   17   15   23 o   58.476   24.750   4.1671   6.4739   0.7602   10.065   6.5710   8.4548   59.206   27.465   65.902   28.103 -6.696297 39.29494 
1 1 1   17   15   24 o   48.590   21.507   1.0312   5.3509 -10.1700   10.019   5.5018   6.3293   48.013   23.555   60.882   25.013 -12.86961 34.35792 
1 1 1   17   15   25 o   72.426   28.808   10.500   8.0955   0.0000   0.0000   10.500   8.0955  ?   ?    72.426   28.808 0.000000 28.80817 
1 1 1   17   16    0 o   52.954   20.601   3.1279   4.0610  -7.4070   13.256   4.2191   4.2661   62.581   29.788   57.384   21.400 5.197464 36.67821 
1 1 1   17   16    1 f  158.713   12.441   34.276   5.0738   22.130   13.922   36.136   5.4486  105.258   38.773  162.601   13.046 -57.34248 40.90931 
1 1 1   17   16    2 o  127.712   13.946   22.540   4.5386   2.3220   12.939   25.376   4.8465   72.175   32.580  135.546   14.006 -63.37103 35.46292 
1 1 1   17   16    3 f  100.894   21.875   15.448   5.5522   4.9420   14.190   17.347   6.0331   77.200   34.542  106.607   22.552 -29.40672 41.25240 
1 1 1   17   16    4 o  266.512   12.348   96.151   8.5247   66.040   16.983  106.293   9.8564  192.541   35.354  278.888   13.644 -86.34721 37.89528 
1 1 1   17   16    5 o   84.753   30.881   11.974   8.7972   16.460   13.074   8.2620   11.892   94.030   36.859   78.919   33.482 15.11155 49.79543 
1 1 1   17   16    6 o  155.919   15.938   34.179   6.3465   24.090   12.847   37.436   7.2994  110.189   37.560  161.794   17.706 -51.60499 41.52415 
1 1 1   17   16    7 o  212.517   13.063   61.773   7.1562   54.070   13.796   64.608   8.3703  179.041   30.863  215.468   15.092 -36.42703 34.35534 
1 1 1   17   16    8 o  196.260   11.001   51.935   5.5702   33.017   7.7226   72.451   8.0422  149.219   20.523  229.589   13.583 -80.37032 24.61088 
1 1 1   17   16    9 o   71.507   27.966   7.3907   7.5137  -4.8370   10.048   22.900   11.317   56.584   26.633  109.009   35.193 -52.42461 44.13456 
1 1 1   17   16   10 o  121.078   27.191   24.192   8.3192   27.730   11.736   20.620   11.794  119.888   35.370  101.885   35.921 18.00288 50.41184 
1 1 1   17   16   11 o   76.115   29.232   9.2732   8.0965   20.110   11.674  -0.7693   11.238  100.214   35.695   63.542   29.315 36.67234 46.18959 
1 1 1   17   16   12 o   77.673   19.664   9.1932   3.9600   7.5738   5.7009   10.703   5.5048   69.827   24.936   81.224   24.286 -11.39718 34.80830 
1 1 1   17   16   13 o   90.458   18.485   12.231   4.1849   17.546   6.0712   7.4195   5.7765  105.324   22.906   69.090   25.047 36.23381 33.94143 
1 1 1   17   16   14 o   92.761   19.003   12.987   4.4126   9.9579   6.3196   15.870   6.1640   77.061   26.343   98.528   24.303 -21.46739 35.84107 
1 1 1   17   16   15 o   36.845   17.315  -3.2151   4.2178  -1.8200   7.1948  -3.9456   5.2062   50.974   23.495   40.372   19.053 10.60222 30.25005 
1 1 1   17   16   16 o  197.377   11.615   53.391   5.9122   28.120   10.785   64.247   7.0689  119.322   33.514  215.399   12.726 -96.07723 35.84877 
1 1 1   17   16   17 o  111.491   17.363   18.408   4.8511   9.9380   8.8381   22.061   5.8035   75.272   30.050  120.595   19.224 -45.32253 35.67295 
1 1 1   17   16   18 o  140.151   14.615   28.028   5.2276   16.400   9.8368   32.604   6.1711   89.208   32.632  149.751   16.165 -60.54288 36.41662 
1 1 1   17   16   19 o   90.774   21.621   13.299   5.0110   8.1470   9.2487   15.440   5.9619   70.750   29.744   95.722   24.069 -24.97150 38.26295 
1 1 1   17   16   20 f  103.721   25.625   18.735   6.8446   11.210   10.531   24.240   9.0065   76.209   31.870  112.318   30.272 -36.10892 43.95543 
1 1 1   17   16   21 f   70.687   26.804   8.8361   6.7534   10.070   9.9882   7.7970   9.1661   73.378   30.883   68.905   29.320 4.472824 42.58392 
1 1 1   17   16   22 o   64.235   24.190   6.8290   5.4772   14.110   10.177   3.8601   6.4986   80.273   32.176   57.529   24.588 22.74408 40.49500 
1 1 1   17   16   23 o   51.974   22.132   2.7497   5.2297   6.0490   10.141   1.5546   6.1038   65.155   29.174   51.486   22.871 13.66825 37.06973 
1 1 1   17   16   24 o   69.323   28.729   9.3784   8.4470   0.0000   0.0000   9.3784   8.4470  ?   ?    69.323   28.729 0.000000 28.72885 
1 1 1   17   17    0 o  100.063   18.861   14.779   4.7093 -10.9900   13.322   18.459   5.0343   58.916   28.508  112.781   17.825 -53.86494 33.62164 
1 1 1   17   17    1 o  132.237   14.564   24.423   4.9058   12.220   13.316   26.340   5.2770   85.220   35.752  136.996   15.123 -51.77623 38.81840 
1 1 1   17   17    2 o  164.568   12.392   36.994   5.2436   29.330   13.601   38.331   5.6829  119.179   38.593  166.919   13.253 -47.73978 40.80534 
1 1 1   17   17    3 o   86.752   20.029   11.363   4.4097   2.4590   12.911   12.538   4.6919   70.988   32.245   91.007   20.407 -20.01910 38.15969 
1 1 1   17   17    4 o   83.481   19.978   10.543   4.2625   3.3080   13.100   11.399   4.5078   72.186   32.666   86.619   20.423 -14.43293 38.52488 
1 1 1   17   17    5 o  172.048   14.779   41.351   6.5225   25.520   12.887   46.803   7.5628  111.328   37.619  181.769   16.233 -70.44086 40.97214 
1 1 1   17   17    6 o  135.420   17.676   26.542   6.0524   27.080   12.783   26.386   6.8715  114.901   37.427  132.578   20.684 -17.67646 42.76282 
1 1 1   17   17    7 o   85.320   20.320   11.110   4.4266   5.5376   6.2812   16.609   6.2395   64.529   25.467  102.016   24.011 -37.48668 35.00173 
1 1 1   17   17    8 o   95.341   18.691   13.528   4.4509   2.8332   6.2450   24.569   6.3452   57.525   24.326  128.361   19.714 -70.83604 31.31148 
1 1 1   17   17    9 o   62.314   21.097   5.7896   4.0531   2.1763   5.6978   9.4909   5.7667   54.339   23.119   76.324   25.152 -21.98536 34.16325 
1 1 1   17   17   10 o  104.497   17.564   16.035   4.5856   9.1528   6.4814   22.933   6.4885   74.676   26.597  122.253   21.262 -47.57750 34.05054 
1 1 1   17   17   11 o   58.719   21.261   4.9347   4.1603   0.4803   6.0919   8.8281   5.6953   51.604   22.889   73.551   25.008 -21.94653 33.90182 
1 1 1   17   17   12 f   67.631   21.483   7.1600   4.2298   9.1146   6.3089   5.5640   5.7009   74.019   26.253   62.770   24.412 11.24962 35.84964 
1 1 1   17   17   13 o   79.829   20.954   10.062   4.3877   2.3163   6.6208   16.129   5.8591   56.412   24.469   99.867   23.108 -43.45574 33.65595 
1 1 1   17   17   14 o  114.179   16.280   18.997   4.6785   12.356   6.8983   24.653   6.3666   83.225   27.514  126.918   20.030 -43.69370 34.03241 
1 1 1   17   17   15 o   53.059   20.983   3.4617   4.2717  -1.6346   6.5184   7.2979   5.6554   48.582   22.382   67.324   24.725 -18.74247 33.35100 
1 1 1   17   17   16 o   74.947   22.143   9.1962   4.5968   4.6040   8.5286   11.076   5.4574   63.614   27.683   80.715   24.192 -17.10053 36.76410 
1 1 1   17   17   17 o   90.890   21.757   13.404   5.0543   18.590   9.0721   11.069   6.0864   95.674   31.549   79.108   25.829 16.56624 40.77322 
1 1 1   17   17   18 o   59.175   24.222   4.6821   5.9085   0.8229   8.5309   8.2400   8.1912   56.890   25.984   69.748   28.532 -12.85786 38.59032 
1 1 1   17   17   19 o   59.342   24.546   4.7204   6.1499   3.4280   9.4468   5.6710   8.1018   61.906   27.901   63.933   27.393 -2.027401 39.10075 
1 1 1   17   17   20 o   62.445   23.440   6.2948   5.1347   26.060   10.062  -0.6642   5.9705  110.640   32.779   47.437   21.694 63.20274 39.30733 
1 1 1   17   17   21 o   52.838   22.309   3.0544   5.2387   6.2380   10.220   1.9197   6.1013   65.677   29.355   52.290   23.064 13.38627 37.33216 
1 1 1   17   17   22 o   85.119   24.120   12.984   5.5610   8.9390   10.755   14.460   6.4969   69.054   30.532   87.138   26.459 -18.08374 40.40101 
1 1 1   17   17   23 o   79.174   30.376   14.163   8.7370   0.0000   0.0000   14.163   8.7370  ?   ?    79.174   30.376 0.000000 30.37576 
1 1 1   17   18    0 o   97.767   19.893   14.481   4.8664   10.610   12.734   15.143   5.2661   80.467   34.406   99.115   21.156 -18.64875 40.39005 
1 1 1   17   18    1 o  126.567   15.310   22.735   4.9174   11.510   12.991   24.612   5.3127   81.972   34.893  131.267   15.953 -49.29474 38.36642 
1 1 1   17   18    2 o   48.558   20.218   1.8254   4.2115   2.6800   11.802   1.7007   4.5084   68.221   30.926   49.274   20.744 18.94730 37.23873 
1 1 1   17   18    3 o  104.926   17.831   16.193   4.6729   16.120   12.994   16.204   5.0079   89.518   36.188  103.926   19.314 -14.40811 41.01999 
1 1 1   17   18    4 o   89.078   19.693   12.072   4.4232   7.7520   13.068   12.631   4.7006   76.210   33.677   90.622   20.504 -14.41219 39.42794 
1 1 1   17   18    5 o   46.267   20.767  -0.6078   5.1722   3.8300   12.364  -1.5490   5.6943   70.117   31.732   46.529   21.242 23.58843 38.18581 
1 1 1   17   18    6 o   82.209   20.855   10.538   4.4479   3.6791   6.3639   17.088   6.2192   59.295   24.784  102.883   23.808 -43.58859 34.36716 
1 1 1   17   18    7 o  108.199   17.141   17.142   4.6439   13.603   6.6562   20.499   6.4823   88.887   26.735  113.790   22.787 -24.90268 35.12809 
1 1 1   17   18    8 o   80.376   21.015   10.162   4.4245   14.017   6.3233   6.4639   6.1932   90.917   25.705   65.948   25.501 24.96925 36.20881 
1 1 1   17   18    9 o   41.175   18.473  -0.6812   4.0876   1.9850   5.8880  -3.1616   5.6792   53.820   23.210   43.486   20.325 10.33412 30.85157 
1 1 1   17   18   10 o  126.982   15.666   23.229   5.0436   19.086   7.2158   27.187   7.0524  105.338   26.476  132.228   21.315 -26.89058 33.98963 
1 1 1   17   18   11 o  161.707   13.128   36.524   5.4514   18.549   7.7175   54.424   7.7015  101.345   28.309  195.028   15.370 -93.68343 32.21192 
1 1 1   17   18   12 o  174.786   12.492   42.424   5.6184   26.461   8.0661   57.469   7.8304  125.004   25.767  200.398   15.198 -75.39394 29.91554 
1 1 1   17   18   13 o   87.523   20.859   12.203   4.6620   4.4943   6.8510   18.850   6.3621   60.757   25.574  106.771   23.629 -46.01351 34.81926 
1 1 1   17   18   14 f   68.372   23.419   7.7326   4.9947   12.090   8.5380   5.4656   6.1584   79.178   30.111   61.823   24.941 17.35537 39.09877 
1 1 1   17   18   15 o   94.910   24.740   15.554   6.1444   18.880   9.2031   12.880   8.2533   95.496   31.789   81.039   29.853 14.45753 43.60915 
1 1 1   17   18   16 o   63.428   23.425   6.4740   5.0871   7.7605   6.9518   4.9910   7.4639   67.834   26.786   61.898   26.400 5.936356 37.60950 
1 1 1   17   18   17 o   83.004   22.777   11.669   5.0453   16.670   9.3686   9.6260   5.9878   87.901   31.893   73.321   25.613 14.57980 40.90416 
1 1 1   17   18   18 o  103.649   20.494   17.227   5.3073   4.6990   9.7189   22.550   6.3352   63.409   28.464  117.763   21.563 -54.35385 35.70934 
1 1 1   17   18   19 o   27.469   13.846 -12.5925   4.5762 -15.2500   8.3999 -11.4708   5.4571   39.898   19.917   32.247   16.090 7.651123 25.60432 
1 1 1   17   18   20 f   66.610   23.991   7.8127   5.2878   7.3760   10.280   7.9699   6.1662   66.563   29.619   66.676   25.533 -0.1131897 39.10509 
1 1 1   17   18   21 o   37.711   18.108  -4.6021   5.1356 -28.4800   9.8316   4.3579   6.0226   36.807   18.737   56.575   23.905 -19.76807 30.37300 
1 1 1   17   18   22 o   57.868   26.004   3.9130   8.1351   0.0000   0.0000   3.9130   8.1351  ?   ?    57.868   26.004 0.000000 26.00432 
1 1 1   17   18   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19    0 o   52.416   22.446   1.9665   5.4346   0.0000   0.0000   1.9665   5.4346  ?   ?    52.416   22.446 0.000000 22.44625 
1 1 1   17   19    1 o   78.344   23.421   10.084   5.1200   0.0000   0.0000   10.084   5.1200  ?   ?    78.344   23.421 0.000000 23.42137 
1 1 1   17   19    2 o   62.848   23.116   5.9424   4.9459   0.0000   0.0000   5.9424   4.9459  ?   ?    62.848   23.116 0.000000 23.11614 
1 1 1   17   19    3 o  171.903   13.788   41.460   6.0880   0.0000   0.0000   41.460   6.0880  ?   ?   171.903   13.788 0.000000 13.78825 
1 1 1   17   19    4 o  121.446   17.321   21.733   5.2946   0.0000   0.0000   21.733   5.2946  ?   ?   121.446   17.321 0.000000 17.32124 
1 1 1   17   19    5 o  162.289   19.471   39.815   8.0216   0.0000   0.0000   39.815   8.0216  ?   ?   162.289   19.471 0.000000 19.47058 
1 1 1   17   19    6 o   91.038   22.396   13.424   5.2452   8.7760   8.6986   16.080   6.5750   72.608   29.518   96.679   25.782 -24.07043 39.19194 
1 1 1   17   19    7 o   38.755   18.083  -2.6811   4.4651  -7.0070   6.8586   0.5009   5.8824   42.720   20.618   50.281   22.387 -7.560986 30.43499 
1 1 1   17   19    8 o  148.068   15.948   31.811   6.0203   22.350   9.4590   38.253   7.8053  106.217   31.853  158.599   19.404 -52.38204 37.29770 
1 1 1   17   19    9 o  113.332   20.352   20.023   5.7550  -0.2350   8.9749   34.169   7.4998   56.876   26.225  149.038   19.926 -92.16175 32.93584 
1 1 1   17   19   10 o   84.877   25.122   12.557   5.9124   14.840   8.7024   10.600   8.0576   86.151   30.804   75.759   29.146 10.39232 42.40715 
1 1 1   17   19   11 o  118.113   21.620   22.330   6.3709   18.090   9.1555   26.310   8.8708   93.580   31.708  119.238   29.000 -25.65806 42.96989 
1 1 1   17   19   12 o   61.151   23.288   5.7512   5.1120   0.1432   6.7431   13.330   7.8389   51.461   23.347   82.616   29.268 -31.15512 37.43955 
1 1 1   17   19   13 o   75.187   24.094   9.8194   5.3118   10.982   6.8584   8.0760   8.3972   76.781   27.358   68.933   28.612 7.847847 39.58639 
1 1 1   17   19   14 o   76.546   23.017   10.026   4.9342   11.383   7.1394   8.7849   6.8270   77.253   27.870   70.091   26.861 7.161697 38.70682 
1 1 1   17   19   15 o   77.553   23.465   10.453   5.1166   2.7946   7.1921   18.302   7.2808   56.552   24.987   98.716   27.468 -42.16386 37.13328 
1 1 1   17   19   16 o   33.737   16.447  -6.3687   4.6612  -8.9458   6.8403  -4.1346   6.3687   39.780   19.505   43.373   20.646 -3.592999 28.40270 
1 1 1   17   19   17 o   89.425   25.376   14.642   6.1505   12.580   9.9134   15.932   7.8424   75.914   31.260   87.854   29.349 -11.94020 42.87784 
1 1 1   17   19   18 o   82.231   23.454   11.999   5.2405  -4.9450   9.7638   18.856   6.2109   51.053   24.630  104.078   23.584 -53.02493 34.10029 
1 1 1   17   19   19 o   76.150   24.406   10.733   5.4501   15.720   10.352   8.8207   6.4104   79.861   32.295   68.259   26.059 11.60133 41.49778 
1 1 1   17   19   20 o   58.754   23.554   5.6497   5.4548  -3.2170   9.9770   9.4303   6.5147   52.138   25.088   69.245   26.309 -17.10706 36.35395 
1 1 1   17   19   21 o   36.542   18.370 -16.0724   7.7654   0.0000   0.0000 -16.0724   7.7654  ?   ?    36.542   18.370 0.000000 18.36960 
1 1 1   17   20    0 o   62.303   22.979   6.0415   4.8922  -2.5260   12.316   7.6465   5.3308   60.381   28.733   67.940   24.129 -7.559299 37.52083 
1 1 1   17   20    1 o  136.594   15.965   27.227   5.5421   16.030   13.002   29.713   6.1265   83.976   35.284  141.682   17.035 -57.70692 39.18095 
1 1 1   17   20    2 o   73.243   22.839   8.9361   4.8021   15.670   12.952   7.8629   5.1706   83.368   35.132   68.747   23.813 14.62080 42.44154 
1 1 1   17   20    3 f  125.882   20.871   24.938   6.5670   20.540   12.950   26.460   7.6192   91.699   36.448  125.990   24.226 -34.29139 43.76528 
1 1 1   17   20    4 o   78.872   26.109   11.115   6.2110   14.180   12.309   10.068   7.1941   80.969   34.191   74.542   27.791 6.427139 44.06134 
1 1 1   17   20    5 o   90.045   22.237   13.346   5.1560   7.2347   7.3949   19.127   7.1925   67.111   27.241  103.523   26.661 -36.41272 38.11628 
1 1 1   17   20    6 o  124.624   17.690   23.364   5.5502   15.752   8.0087   30.399   7.6988   89.523   29.648  136.928   22.487 -47.40533 37.21101 
1 1 1   17   20    7 o  119.997   18.098   21.853   5.4506   21.350   7.6680   22.367   7.7492  108.484   27.307  111.465   27.102 -2.980927 38.47318 
1 1 1   17   20    8 o  130.231   24.469   28.712   7.9513   28.712   7.9513   0.0000   0.0000  130.231   24.469  ?   ?  0.000000 24.46908 
1 1 1   17   20    9 o  105.898   20.143   17.759   5.3235   11.980   7.4907   23.656   7.5669   78.647   28.520  115.945   25.854 -37.29858 38.49464 
1 1 1   17   20   10 o   34.125   16.567  -5.8973   4.5967  -9.8473   6.2800  -1.3387   6.7465   37.090   18.285   48.707   22.556 -11.61740 29.03596 
1 1 1   17   20   11 o   53.502   21.831   3.5977   4.7807   7.2793   6.8250   0.0513   6.6986   65.746   26.350   50.613   23.081 15.13295 35.02951 
1 1 1   17   20   12 f   57.435   22.825   4.8214   5.0780  -7.9798   7.0462   18.654   7.3245   41.405   20.193   99.236   27.529 -57.83072 34.14077 
1 1 1   17   20   13 o   64.065   23.532   6.9496   5.1230   4.3787   7.0568   9.8145   7.4492   58.900   25.405   71.570   27.886 -12.66924 37.72360 
1 1 1   17   20   14 o   70.902   23.826   8.9492   5.1690   1.6200   7.2870   16.372   7.3332   54.019   24.411   90.734   28.212 -36.71446 37.30708 
1 1 1   17   20   15 o   48.846   21.175   1.9015   4.9520   6.7286   6.9708  -3.0164   7.0361   63.342   26.162   46.456   21.993 16.88597 34.17786 
1 1 1   17   20   16 o   39.254   18.647  -3.5111   5.1441  -5.0288   7.3971  -2.0897   7.1583   44.922   21.613   47.759   22.479 -2.837048 31.18395 
1 1 1   17   20   17 o   57.543   22.827   5.2533   5.0703   3.4317   7.3711   6.8893   6.9855   56.285   25.060   62.866   26.095 -6.581886 36.17982 
1 1 1   17   20   18 o   97.468   22.821   16.749   5.6602   26.000   10.997   13.415   6.6018   98.892   34.701   81.098   26.921 17.79337 43.91946 
1 1 1   17   20   19 o   79.336   30.985   15.752   9.2137   0.0000   0.0000   15.752   9.2137  ?   ?    79.336   30.985 0.000000 30.98526 
1 1 1   17   20   20 o   49.126   22.635   0.7239   6.6694   0.3035   10.733   0.9883   8.5124   55.053   26.368   52.809   24.747 2.244076 36.16156 
1 1 1   17   21    0 o   31.447   15.549  -8.5022   4.6593 -19.8100   13.410  -6.9497   4.9688   49.496   24.776   34.540   16.870 14.95592 29.97376 
1 1 1   17   21    1 o  120.529   18.772   22.495   5.6699   13.760   13.462   24.378   6.2514   77.415   34.197  124.070   20.143 -46.65424 39.68845 
1 1 1   17   21    2 o   44.445   20.089  -0.3378   4.9381  -7.7640   12.817   0.9566   5.3511   55.497   27.103   48.478   21.480 7.018681 34.58243 
1 1 1   17   21    3 o  121.910   23.130   24.895   7.0370   20.920   13.801   26.292   8.1804   87.495   36.528  120.423   26.903 -32.92777 45.36629 
1 1 1   17   21    4 o  149.634   15.864   33.055   6.0549   26.385   8.6548   39.450   8.4740  118.016   28.609  156.069   21.535 -38.05304 35.80841 
1 1 1   17   21    5 o  171.040   14.659   42.413   6.4318   28.061   8.9909   57.455   9.2046  121.117   29.035  193.139   18.630 -72.02184 34.49798 
1 1 1   17   21    6 o  104.660   21.244   17.911   5.5624   15.681   7.9542   20.046   7.7815   87.309   29.555  101.707   28.432 -14.39853 41.01059 
1 1 1   17   21    7 o   87.142   23.334   13.201   5.3720   7.9396   7.6420   18.342   7.5531   67.063   27.511   96.853   28.318 -29.78954 39.48080 
1 1 1   17   21    8 o  159.430   14.889   37.139   6.0776   25.843   8.3754   49.702   8.8328  116.786   28.040  177.717   19.508 -60.93102 34.15900 
1 1 1   17   21    9 o  105.974   20.903   18.366   5.5341   14.061   7.7005   22.965   7.9586   82.402   29.028  109.486   27.963 -27.08343 40.30599 
1 1 1   17   21   10 o  113.435   19.995   20.681   5.6605   14.510   7.9237   27.111   8.0891   82.848   29.418  121.677   26.422 -38.82858 39.54158 
1 1 1   17   21   11 o  120.279   18.642   22.710   5.6201   12.778   7.8556   33.124   8.0437   77.877   29.039  139.551   23.057 -61.67480 37.08017 
1 1 1   17   21   12 f  118.550   19.371   22.438   5.7429   20.825   8.1489   24.030   8.0947  100.363   29.433  110.939   28.129 -10.57598 40.71323 
1 1 1   17   21   13 o   90.808   23.600   14.735   5.6021   7.6267   7.9623   21.703   7.8833   64.953   27.468  104.033   28.440 -39.08054 39.53863 
1 1 1   17   21   14 o   69.974   23.988   9.0531   5.2405   8.5168   7.5638   9.5482   7.2676   66.443   27.326   69.036   27.347 -2.592590 38.65973 
1 1 1   17   21   15 o   79.670   24.569   12.022   5.5745   11.336   8.0078   12.666   7.7649   72.153   28.667   75.860   28.747 -3.706924 40.59774 
1 1 1   17   21   16 o   42.718   19.743  -0.9388   5.1309   1.2497   7.5513  -2.8157   6.9932   52.247   24.078   45.541   21.666 6.706009 32.39047 
1 1 1   17   21   17 o   51.072   24.333  -1.2795   8.8892 -13.9400   12.386   12.170   12.766   47.922   23.962   68.763   31.547 -20.84099 39.61509 
1 1 1   17   21   18 o   59.786   28.805   3.7640   13.249   0.0000   0.0000   3.7640   13.249  ?   ?    59.786   28.805 0.000000 28.80464 
1 1 1   17   21   19 o   66.796   25.028   9.2425   5.8492   18.440   10.990   5.6073   6.9091   77.165   32.431   57.242   24.913 19.92286 40.89549 
1 1 1   17   22    0 o   40.866   20.493 -17.4170   9.3737 -33.5500   13.675  -3.1180   12.874   43.477   22.129   57.446   27.851 -13.96976 35.57237 
1 1 1   17   22    1 o   81.208   27.798   13.392   7.0371 -18.6000   14.382   23.461   8.0688   50.613   25.382  109.406   28.270 -58.79333 37.99203 
1 1 1   17   22    2 o   42.266   20.187  -4.1552   6.1984  -9.6010   12.818  -2.4932   7.0813   52.883   26.080   47.083   22.221 5.799362 34.26300 
1 1 1   17   22    3 o   50.934   22.042   2.4516   5.3471  -3.7481   7.4778   8.9380   7.6488   46.608   22.237   68.167   27.692 -21.55838 35.51528 
1 1 1   17   22    4 o   79.378   24.785   11.727   5.6533   20.733   8.2527   3.7641   7.7599   99.520   29.732   57.812   25.729 41.70749 39.31836 
1 1 1   17   22    5 o  133.131   18.169   27.665   6.1021   21.696   8.6347   33.619   8.6246  100.483   30.501  136.943   25.244 -36.46040 39.59232 
1 1 1   17   22    6 o   62.446   23.973   6.7614   5.4443   9.1150   7.7142   4.4260   7.6845   68.241   27.776   58.689   25.885 9.551933 37.96774 
1 1 1   17   22    7 o   85.587   24.185   13.405   5.5991   16.032   8.1390   11.045   7.7146   85.221   29.856   72.712   28.365 12.50925 41.18202 
1 1 1   17   22    8 o  114.937   20.129   21.569   5.7743   11.549   8.1857   31.493   8.1467   73.183   29.013  132.935   24.564 -59.75242 38.01449 
1 1 1   17   22    9 o   81.036   24.586   12.320   5.6113   19.778   8.1248   5.5188   7.7591   95.899   29.675   60.306   26.320 35.59339 39.66577 
1 1 1   17   22   10 o   76.865   24.506   11.171   5.5001   4.3954   7.9282   17.457   7.6366   58.270   25.964   90.425   28.881 -32.15554 38.83558 
1 1 1   17   22   11 o   98.690   22.622   17.108   5.6595   10.667   7.8735   23.994   8.1407   70.559   28.294  108.339   28.591 -37.78077 40.22477 
1 1 1   17   22   12 o  107.629   21.901   19.979   5.8982   15.160   8.1778   25.203   8.5151   80.851   29.726  109.248   29.430 -28.39717 41.83011 
1 1 1   17   22   13 o   55.725   23.092   4.8232   5.4571   4.0783   7.7270   5.5644   7.7081   56.655   25.410   59.211   26.027 -2.556248 36.37405 
1 1 1   17   22   14 o   42.543   19.769  -1.0874   5.2503  -2.1174   7.3668  -0.0241   7.4846   46.899   22.290   49.807   23.297 -2.908253 32.24231 
1 1 1   17   22   15 o   52.110   24.515   0.6889   8.4946   10.520   11.757 -10.0500   12.287   66.008   30.280   49.361   24.551 16.64739 38.98224 
1 1 1   17   22   16 o   36.858   18.577 -16.7339   8.2292 -18.8000   10.813 -13.8900   12.686   41.847   21.117   47.495   23.821 -5.648739 31.83372 
1 1 1   17   22   17 o   80.397   25.416   13.524   5.9261   4.1142   8.5843   22.091   8.1911   55.508   25.613   96.371   29.792 -40.86265 39.28843 
1 1 1   17   23    0 o   59.374   23.754   6.0591   5.5352 -14.6600   14.773   9.4429   5.9702   51.609   25.859   69.219   25.407 -17.61007 36.25146 
1 1 1   17   23    1 o   68.542   24.270   8.9375   5.3894 -11.0600   14.368   12.212   5.8140   52.845   26.327   79.062   25.194 -26.21615 36.43939 
1 1 1   17   23    2 o   77.212   31.702   15.482   10.159   37.290   15.583  -0.6364   13.398  100.179   39.931   58.114   28.229 42.06475 48.90158 
1 1 1   17   23    3 o   71.534   30.121   12.103   9.5084   19.660   13.717   5.1120   13.192   78.426   34.587   62.572   29.765 15.85373 45.63159 
1 1 1   17   23    4 o   46.431   22.737  -7.3387   9.2043 -17.9500   12.711   4.3580   13.346   46.874   23.555   61.921   29.588 -15.04660 37.81938 
1 1 1   17   23    5 o   72.411   30.225   12.639   9.4461   19.050   13.447   6.3940   13.272   77.673   34.251   63.576   30.129 14.09693 45.61694 
1 1 1   17   23    6 o   59.621   27.443   4.7262   9.7693  -6.0850   13.728   15.820   13.906   54.542   26.916   72.944   33.261 -18.40155 42.78695 
1 1 1   17   23    7 o   96.742   28.207   19.714   7.5034   42.730   15.243   12.353   8.6201  110.157   40.571   72.454   29.411 37.70260 50.10999 
1 1 1   17   23    8 o   78.305   27.837   13.467   7.0971   2.3130   13.433   17.786   8.3590   59.631   28.798   86.445   30.258 -26.81405 41.77198 
1 1 1   17   23    9 o   46.029   22.528  -6.7324   9.0022  -6.9450   11.822  -6.4390   13.888   50.960   25.115   53.966   26.712 -3.006126 36.66503 
1 1 1   17   23   10 o   56.976   26.158   4.0153   8.7977   17.570   12.384  -9.7940   12.500   75.117   33.006   49.984   24.845 25.13294 41.31135 
1 1 1   17   23   11 o   78.677   31.051   16.568   9.3375   17.430   12.222   15.360   14.472   74.497   32.759   69.844   32.578 4.652733 46.20055 
1 1 1   17   23   12 o   68.331   29.464   11.808   9.4863   11.200   12.651   12.590   14.338   65.757   30.600   66.611   31.493 -0.8542938 43.91089 
1 1 1   17   23   13 o  110.581   26.543   24.820   7.5063   30.568   8.9533   11.220   13.771  117.852   29.420   64.784   30.698 53.06860 42.51974 
1 1 1   17   23   14 o   62.236   24.461   7.9144   5.7722  -5.2571   7.8805   23.161   8.4785   43.681   21.315   97.360   30.345 -53.67878 37.08290 
1 1 1   17   23   15 o   53.280   22.890   4.6224   5.6848  -3.9930   8.0478   13.202   8.0313   44.870   21.815   71.132   28.558 -26.26162 35.93671 
1 1 1   17   23   16 o   38.604   18.661  -3.9302   5.6744  -5.2347   8.2394  -2.7534   7.8261   43.755   21.445   45.215   21.871 -1.460625 30.63039 
1 1 1   17   24    0 o   64.792   25.445   8.6515   6.2412   0.0000   0.0000   8.6515   6.2412  ?   ?    64.792   25.445 0.000000 25.44507 
1 1 1   17   24    1 o   90.972   28.379   18.469   7.4137  -0.2708   14.477   25.130   8.6313   57.198   28.112  104.654   30.178 -47.45610 41.24340 
1 1 1   17   24    2 o   35.008   17.245  -7.6070   5.5513   4.5798   8.1960 -17.9368   7.5458   56.662   25.719   34.326   17.360 22.33579 31.02988 
1 1 1   17   24    3 o   44.777   20.713  -0.2204   5.6668   0.9304   8.4006  -1.1812   7.6764   51.903   24.406   48.099   22.829 3.804050 33.41862 
1 1 1   17   24    4 o  104.033   23.597   20.134   6.2126   13.384   8.7211   27.088   8.8521   72.436   29.514  108.931   30.280 -36.49554 42.28393 
1 1 1   17   24    5 o   71.625   25.379   10.749   5.8942   7.1870   8.2779   14.413   8.3947   60.698   26.814   75.305   29.530 -14.60674 39.88762 
1 1 1   17   24    6 o  103.106   23.799   19.996   6.2271   12.182   8.7768   27.917   8.8364   69.470   29.077  111.028   30.010 -41.55821 41.78619 
1 1 1   17   24    7 o   71.596   25.322   10.826   5.8655   12.854   8.1899   8.6909   8.4044   71.621   28.809   62.925   27.430 8.695614 39.77873 
1 1 1   17   24    8 o   80.628   25.437   13.582   5.9382   2.0461   8.1362   26.731   8.6866   52.340   24.418  107.521   30.034 -55.18076 38.70716 
1 1 1   17   24    9 f   64.957   24.775   8.8469   5.7907   10.401   7.9593   7.0994   8.4404   65.904   27.644   59.631   26.664 6.272823 38.40755 
1 1 1   17   24   10 o   54.595   23.194   5.0933   5.7200  -1.9324   8.2064   11.732   7.9771   47.371   22.784   68.294   28.072 -20.92369 36.15461 
1 1 1   17   24   11 o  110.384   22.695   22.664   6.2724   22.264   8.5690   23.126   9.2062   92.583   30.668   91.191   31.764 1.392372 44.15264 
1 1 1   17   24   12 o   54.347   23.176   5.2575   5.7503   6.9030   8.1396   3.6180   8.1249   57.996   26.040   53.145   24.661 4.851498 35.86453 
1 1 1   17   24   13 o   28.639   14.505 -14.2909   5.3909  -6.8465   7.3423 -22.9981   7.9406   40.151   19.789   32.312   16.484 7.839130 25.75559 
1 1 1   17   24   14 o   44.846   20.876   0.5913   5.8963 -11.2703   8.2355   13.066   8.4456   38.815   19.427   67.363   28.377 -28.54833 34.39026 
1 1 1   17   25    0 o   57.321   26.113   6.2728   8.5455   0.0000   0.0000   6.2728   8.5455  ?   ?    57.321   26.113 0.000000 26.11257 
1 1 1   17   25    1 f   57.033   23.857   6.2973   5.9033   6.2173   8.2086   6.3830   8.4960   57.174   25.866   57.494   26.132 -0.3202934 36.76853 
1 1 1   17   25    2 o   57.349   24.161   6.4439   6.1235   8.5558   8.9395   4.5771   8.4049   60.731   27.278   54.864   25.325 5.867722 37.22161 
1 1 1   17   25    3 o   41.616   19.720  -1.6892   5.6818  -6.9074   8.1104   3.3399   7.9621   42.246   20.817   52.764   24.459 -10.51867 32.11845 
1 1 1   17   25    4 o   68.063   25.220   10.318   5.9064   5.7064   8.2481   15.172   8.4620   56.249   25.636   73.722   29.412 -17.47346 39.01617 
1 1 1   17   25    5 o   71.220   25.745   11.556   6.0965   8.3711   8.5349   14.874   8.7113   60.226   26.879   72.146   29.458 -11.91993 39.87823 
1 1 1   17   25    6 o   51.072   22.672   3.7381   5.9890  -9.0989   8.3913   17.066   8.5503   41.019   20.383   77.335   29.947 -36.31575 36.22572 
1 1 1   17   25    7 f   96.070   25.428   19.385   6.4265   14.681   8.9360   24.423   9.2490   70.512   29.412   92.244   31.854 -21.73254 43.35601 
1 1 1   17   25    8 o   62.647   24.803   8.8322   5.9753  -2.9283   8.2218   21.998   8.6991   45.352   22.049   88.399   30.872 -43.04767 37.93744 
1 1 1   17   25    9 o   75.637   26.197   13.530   6.2580   6.8307   8.7488   20.548   8.9551   56.712   26.054   82.446   30.954 -25.73394 40.45940 
1 1 1   17   25   10 o   55.244   23.486   6.1668   5.8717   6.8040   8.2219   5.5036   8.3882   56.232   25.615   54.413   25.181 1.818806 35.91986 
1 1 1   17   25   11 o   58.587   24.177   7.7382   5.9457   9.7940   8.2618   5.5297   8.5632   60.441   26.740   54.030   25.154 6.411152 36.71151 
1 1 1   17   25   12 o   45.756   21.808   0.2557   7.1528  -1.6790   11.695   1.4121   9.0412   49.198   24.380   49.248   23.744 -0.5061722E-01 34.03248 
1 1 1   17   26    0 o   55.681   25.580   6.9161   8.4328   0.0000   0.0000   6.9161   8.4328  ?   ?    55.681   25.580 0.000000 25.58025 
1 1 1   17   26    1 o   37.597   18.519  -6.1646   6.3971  -9.6610   10.471  -4.0822   8.0806   43.411   21.754   43.212   21.190 0.1996613 30.36878 
1 1 1   17   26    2 o   64.637   25.244   10.199   6.1153   8.5513   8.9792   11.625   8.3515   57.810   26.498   63.287   27.467 -5.476318 38.16528 
1 1 1   17   26    3 o   81.397   26.420   15.917   6.3717   20.908   9.2177   11.351   8.8176   79.596   31.018   62.041   27.527 17.55547 41.47135 
1 1 1   17   26    4 o   81.702   26.057   15.774   6.2180   18.343   8.8403   13.259   8.7476   75.223   30.046   65.253   28.215 9.970978 41.21722 
1 1 1   17   26    5 o   50.829   22.689   4.4551   6.0836   8.2666   8.6630   0.7468   8.5451   57.096   26.118   48.071   23.153 9.024929 34.90340 
1 1 1   17   26    6 o   45.958   21.301   1.7745   6.0355   0.8119   8.6938   2.6701   8.3856   48.108   23.217   49.751   23.684 -1.643059 33.16598 
1 1 1   17   26    7 o   33.612   16.746  -8.4539   5.8157  -3.0338   8.2237 -13.8764   8.2256   43.783   21.451   36.469   18.406 7.314083 28.26532 
1 1 1   17   26    8 f   52.501   23.094   5.6549   6.0777  -3.8384   8.5366   15.413   8.6551   43.405   21.382   67.924   28.676 -24.51876 35.77047 
1 1 1   17   26    9 o   45.850   21.464   1.8290   6.3773   1.1829   8.8640   2.5224   9.1823   47.785   23.154   49.278   23.801 -1.492836 33.20532 
1 1 1   17   27    0 o   41.822   20.351  -1.7877   7.0444 -20.3400   9.7983   18.060   10.135   35.983   18.353   65.529   29.265 -29.54528 34.54382 
1 1 1   17   27    1 o   55.091   25.176   8.5352   8.0231   13.810   11.489   3.5140   11.209   58.183   27.705   49.924   24.576 8.259174 37.03419 
1 1 1   17   27    2 o   57.264   24.973   9.1768   6.9731   10.060   9.2729   8.0280   10.578   56.116   26.142   53.357   25.715 2.759438 36.66975 
1 1 1   17   27    3 o   39.533   19.355  -3.3277   6.6588  -3.9735   8.7153  -2.4220   10.321   42.471   21.047   45.339   22.542 -2.868004 30.84020 
1 1 1   17   27    4 o   39.731   19.410  -2.8957   6.5896  -4.9825   8.6369   0.0111   10.193   41.554   20.654   46.703   23.075 -5.148952 30.96813 
1 1 1   18    0    0 o  116.975   13.675   18.809   3.9955   18.809   3.9955   18.809   3.9955  116.975   13.675  116.975   13.675 0.000000 0.000000 
1 1 1   18    0    1 o  278.225   16.146  104.400   11.546  104.400   11.546  104.400   11.546  278.225   16.146  278.225   16.146 0.000000 0.000000 
1 1 1   18    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   14 o   49.421   22.766   4.9619   3.2014   4.9619   3.2014   4.9619   3.2014   49.421   22.766   49.421   22.766 0.000000 0.000000 
1 1 1   18    0   15 o  160.442   13.085   35.047   5.3547   35.047   5.3547   35.047   5.3547  160.442   13.085  160.442   13.085 0.000000 0.000000 
1 1 1   18    0   16 o  161.695   13.819   35.860   5.6905   35.860   5.6905   35.860   5.6905  161.695   13.819  161.695   13.819 0.000000 0.000000 
1 1 1   18    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   20 o   79.459   28.963   12.423   5.4894   12.423   5.4894   12.423   5.4894   79.459   28.963   79.459   28.963 0.000000 0.000000 
1 1 1   18    0   21 o   31.197   21.076  -1.0706   4.9801  -1.0706   4.9801  -1.0706   4.9801   31.197   21.076   31.197   21.076 0.000000 0.000000 
1 1 1   18    0   22 o   22.971   16.538  -7.2853   4.8685  -7.2853   4.8685  -7.2853   4.8685   22.971   16.538   22.971   16.538 0.000000 0.000000 
1 1 1   18    0   23 o   84.269   30.868   14.656   6.2195   14.656   6.2195   14.656   6.2195   84.269   30.868   84.269   30.868 0.000000 0.000000 
1 1 1   18    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   25 o  145.730   21.976   33.580   7.7382   33.580   7.7382   33.580   7.7382  145.730   21.976  145.730   21.976 0.000000 0.000000 
1 1 1   18    0   26 o   28.580   20.340  -5.9814   6.5460  -5.9814   6.5460  -5.9814   6.5460   28.580   20.340   28.580   20.340 0.000000 0.000000 
1 1 1   18    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    0 o   59.102   16.352   4.8959   2.5879  -0.0658   5.8737   6.0910   2.8828   52.493   22.905   65.661   16.862 -13.16792 28.44250 
1 1 1   18    1    1 o   97.709   15.775   13.207   3.8565   8.5580   6.7915   15.420   4.6852   77.931   27.274  104.861   17.891 -26.93066 32.61847 
1 1 1   18    1    2 f  223.448   11.449   66.383   6.6042   60.460   9.9249   71.090   8.8472  208.898   18.534  229.172   14.986 -20.27364 23.83500 
1 1 1   18    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   12 o   30.713   13.848  -1.0305   2.3300   0.0000   0.0000  -1.0305   2.3300  ?   ?    30.713   13.848 0.000000 13.84847 
1 1 1   18    1   13 o  201.709   11.683   54.452   6.0782   0.0000   0.0000   54.452   6.0782  ?   ?   201.709   11.683 0.000000 11.68315 
1 1 1   18    1   14 o  188.440   12.381   47.793   6.0096   0.0000   0.0000   47.793   6.0096  ?   ?   188.440   12.381 0.000000 12.38071 
1 1 1   18    1   15 o  185.164   11.871   46.074   5.6639   46.074   5.6639   0.0000   0.0000  185.164   11.871  ?   ?  0.000000 11.87143 
1 1 1   18    1   16 o  120.723   10.890   19.581   3.3687   16.238   4.5633   23.584   4.9940  107.107   17.017  130.568   15.041 -23.46067 22.71150 
1 1 1   18    1   17 o  107.901   17.555   16.615   4.7379   16.615   4.7379   0.0000   0.0000  107.901   17.555  ?   ?  0.000000 17.55527 
1 1 1   18    1   18 o  151.986   10.913   31.048   4.2677   24.979   5.8343   38.032   6.2589  132.573   17.411  165.914   14.716 -33.34065 22.79688 
1 1 1   18    1   19 o  130.768   18.118   24.576   5.9721   0.0000   0.0000   24.576   5.9721  ?   ?   130.768   18.118 0.000000 18.11757 
1 1 1   18    1   20 o  143.714   17.635   29.585   6.4272   0.0000   0.0000   29.585   6.4272  ?   ?   143.714   17.635 0.000000 17.63537 
1 1 1   18    1   21 o  127.695   13.565   22.559   4.4182   22.614   6.1960   22.501   6.3019  123.462   20.063  122.785   20.540 0.6766281 28.71254 
1 1 1   18    1   22 o   60.852   20.572   5.3911   3.8538   8.1576   5.4627   2.6501   5.4375   72.278   24.493   55.167   22.971 17.11102 33.57936 
1 1 1   18    1   23 f  128.366   14.476   23.108   4.7292   26.971   6.7072   19.288   6.6691  134.583   19.834  110.101   24.057 24.48142 31.17917 
1 1 1   18    1   24 o   58.470   21.416   4.7725   4.2387   4.7558   6.0360   4.7887   5.9537   61.633   24.753   61.565   24.634 0.6826019E-01 34.92159 
1 1 1   18    1   25 o   53.157   21.473   3.0567   4.5713   6.7455   6.7160  -0.1274   6.2397   67.514   26.430   50.920   22.836 16.59369 34.92901 
1 1 1   18    1   26 o  125.003   24.893   25.695   7.7772   25.695   7.7772   0.0000   0.0000  125.003   24.893  ?   ?  0.000000 24.89348 
1 1 1   18    1   27 o   43.213   20.639  -5.3704   6.4782   0.0000   0.0000  -5.3704   6.4782  ?   ?    43.213   20.639 0.000000 20.63940 
1 1 1   18    2    0 f   90.254   18.971   11.610   4.2942   9.9160   7.2374   12.530   5.3347   82.476   28.191   92.439   22.493 -9.962532 36.06469 
1 1 1   18    2    1 f  154.617   13.966   32.310   5.5330   26.240   9.1000   35.870   6.9693  131.607   27.577  161.459   16.915 -29.85275 32.35091 
1 1 1   18    2    2 o  242.836   11.997   78.412   7.5461   75.150   11.594   80.810   9.9394  232.227   19.454  243.748   15.828 -11.52077 25.07935 
1 1 1   18    2    3 o  223.665   11.904   66.672   6.8719   63.310   10.550   69.150   9.0567  213.120   19.321  225.549   15.597 -12.42874 24.83108 
1 1 1   18    2    4 o   82.099   14.655   9.3203   3.0022   0.0000   0.0000   9.3203   3.0022  ?   ?    82.099   14.655 0.000000 14.65472 
1 1 1   18    2    5 o  113.853   12.295   17.449   3.5683   0.0000   0.0000   17.449   3.5683  ?   ?   113.853   12.295 0.000000 12.29473 
1 1 1   18    2    6 o  117.676   11.964   18.597   3.5960   0.0000   0.0000   18.597   3.5960  ?   ?   117.676   11.964 0.000000 11.96367 
1 1 1   18    2    7 o  103.343   12.487   14.434   3.2750   0.0000   0.0000   14.434   3.2750  ?   ?   103.343   12.487 0.000000 12.48741 
1 1 1   18    2    8 o   69.732   15.297   6.8192   2.6871   0.0000   0.0000   6.8192   2.6871  ?   ?    69.732   15.297 0.000000 15.29717 
1 1 1   18    2    9 o  120.130   12.488   19.459   3.8292   0.0000   0.0000   19.459   3.8292  ?   ?   120.130   12.488 0.000000 12.48816 
1 1 1   18    2   10 o   52.248   17.126   3.6621   2.6748   0.0000   0.0000   3.6621   2.6748  ?   ?    52.248   17.126 0.000000 17.12575 
1 1 1   18    2   11 o  144.340   12.272   28.016   4.5449   0.0000   0.0000   28.016   4.5449  ?   ?   144.340   12.272 0.000000 12.27227 
1 1 1   18    2   12 o  161.675   12.484   35.180   5.1878   0.0000   0.0000   35.180   5.1878  ?   ?   161.675   12.484 0.000000 12.48439 
1 1 1   18    2   13 o  165.911   12.749   37.138   5.4369   0.0000   0.0000   37.138   5.4369  ?   ?   165.911   12.749 0.000000 12.74865 
1 1 1   18    2   14 o  160.913   13.890   35.259   5.7329   0.0000   0.0000   35.259   5.7329  ?   ?   160.913   13.890 0.000000 13.89033 
1 1 1   18    2   15 o  143.687   15.087   28.466   5.5314   0.0000   0.0000   28.466   5.5314  ?   ?   143.687   15.087 0.000000 15.08674 
1 1 1   18    2   16 o  135.923   13.570   25.257   4.7138   25.257   4.7138   0.0000   0.0000  135.923   13.570  ?   ?  0.000000 13.56967 
1 1 1   18    2   17 o  107.225   12.555   15.698   3.4211   11.727   4.4062   21.724   5.4284   89.268   19.593  123.689   17.426 -34.42107 26.22121 
1 1 1   18    2   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   19 o  124.738   15.020   21.726   4.7556   32.150   7.5109   14.751   6.1440  148.158   20.089   96.811   24.484 51.34798 31.67103 
1 1 1   18    2   20 o   63.061   20.171   5.8427   3.7242   5.0597   5.0490   6.7772   5.5156   61.649   23.223   68.006   24.502 -6.356499 33.75877 
1 1 1   18    2   21 o  102.783   15.978   15.058   4.1158   15.085   5.6667   15.029   5.9879   98.582   22.665   97.502   23.895 1.080276 32.93444 
1 1 1   18    2   22 o  125.001   14.554   21.893   4.6244   16.078   6.3108   28.638   6.7959  100.128   24.526  139.409   19.340 -39.28178 31.23419 
1 1 1   18    2   23 o  113.302   16.364   18.436   4.6635   12.168   6.3857   25.599   6.8268   85.423   26.288  130.044   20.980 -44.62131 33.63353 
1 1 1   18    2   24 o   63.984   22.216   6.1563   4.5018   10.253   6.3629   2.0497   6.3702   78.433   26.435   55.897   24.124 22.53564 35.78758 
1 1 1   18    2   25 o   85.004   22.250   11.527   4.9565   8.2048   6.9573   14.951   7.0629   71.592   27.191   92.603   27.469 -21.01091 38.65104 
1 1 1   18    2   26 o  128.777   24.150   26.940   7.7597   26.940   7.7597   0.0000   0.0000  128.777   24.150  ?   ?  0.000000 24.14974 
1 1 1   18    2   27 o   72.487   23.276   8.6928   4.9554  -2.1370   9.6711   12.548   5.7705   56.285   26.376   85.755   24.660 -29.47077 36.10812 
1 1 1   18    3    0 o  164.071   19.313   37.700   8.0507   0.0000   0.0000   37.700   8.0507  ?   ?   164.071   19.313 0.000000 19.31285 
1 1 1   18    3    1 o   98.026   19.323   13.695   4.7319   12.360   7.6840   14.510   6.0058   90.149   28.989   98.984   23.731 -8.835320 37.46359 
1 1 1   18    3    2 o  200.816   13.137   54.130   6.7957   45.110   10.401   60.850   8.9768  176.792   23.278  210.828   16.571 -34.03648 28.57375 
1 1 1   18    3    3 o  175.404   13.723   41.486   6.1853   21.520   9.4143   56.650   8.2046  116.744   30.717  203.963   15.649 -87.21864 34.47316 
1 1 1   18    3    4 o  235.122   12.283   73.832   7.4545   62.720   11.061   83.080   10.091  211.053   20.490  247.008   15.855 -35.95555 25.90791 
1 1 1   18    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3    6 o  115.796   14.148   18.270   4.1555   0.0000   0.0000   18.270   4.1555  ?   ?   115.796   14.148 0.000000 14.14836 
1 1 1   18    3    7 f  278.093   11.210  102.627   8.0747   0.0000   0.0000  102.627   8.0747  ?   ?   278.093   11.210 0.000000 11.20952 
1 1 1   18    3    8 o  130.529   13.244   23.044   4.4158   0.0000   0.0000   23.044   4.4158  ?   ?   130.529   13.244 0.000000 13.24377 
1 1 1   18    3    9 o   63.586   18.759   5.7375   3.3014   0.0000   0.0000   5.7375   3.3014  ?   ?    63.586   18.759 0.000000 18.75917 
1 1 1   18    3   10 o   79.877   18.434   9.1563   3.7366   0.0000   0.0000   9.1563   3.7366  ?   ?    79.877   18.434 0.000000 18.43379 
1 1 1   18    3   11 o  106.484   16.273   15.802   4.3461   0.0000   0.0000   15.802   4.3461  ?   ?   106.484   16.273 0.000000 16.27340 
1 1 1   18    3   12 o  115.225   15.714   18.399   4.5678   0.0000   0.0000   18.399   4.5678  ?   ?   115.225   15.714 0.000000 15.71384 
1 1 1   18    3   13 o  175.505   13.600   41.784   6.1342   0.0000   0.0000   41.784   6.1342  ?   ?   175.505   13.600 0.000000 13.59951 
1 1 1   18    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   16 o   33.594   14.235   0.2628   2.1454  -2.6269   2.4459   9.9011   4.4670   27.450   12.987   81.407   21.034 -53.95763 24.71985 
1 1 1   18    3   17 o  162.534   12.991   35.973   5.4237   35.973   5.4237   0.0000   0.0000  162.534   12.991  ?   ?  0.000000 12.99108 
1 1 1   18    3   18 o  139.570   17.736   27.792   6.2672   0.0000   0.0000   27.792   6.2672  ?   ?   139.570   17.736 0.000000 17.73580 
1 1 1   18    3   19 o   45.899   18.203   2.0086   3.2236  -0.0116   4.1121   5.2294   5.1922   43.716   19.118   62.622   23.558 -18.90581 30.33941 
1 1 1   18    3   20 o   96.392   24.259   14.709   6.0524   0.0000   0.0000   14.709   6.0524  ?   ?    96.392   24.259 0.000000 24.25905 
1 1 1   18    3   21 o   72.729   20.262   8.0299   3.9592   7.5181   5.2609   8.6984   6.0126   70.077   24.034   74.322   25.682 -4.245224 35.17401 
1 1 1   18    3   22 o   72.371   20.942   8.0444   4.1500   11.065   5.6015   4.3692   6.1789   82.835   24.435   61.337   24.899 21.49793 34.88594 
1 1 1   18    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   24 o   59.002   21.916   4.8482   4.4659   8.5795   6.0747   0.4599   6.5878   72.888   25.771   53.279   23.709 19.60841 35.01814 
1 1 1   18    3   25 o  108.963   23.676   19.155   6.4914   25.040   9.6389   14.270   8.7814  116.086   31.329   87.267   30.971 28.81956 44.05317 
1 1 1   18    3   26 o  190.896   13.982   51.229   6.8655   44.360   11.701   54.836   8.4784  157.972   29.684  193.905   17.054 -35.93272 34.23423 
1 1 1   18    3   27 o  178.267   13.244   44.555   6.0720   52.540   12.257   41.958   6.9900  172.658   28.393  169.987   16.065 2.671204 32.62260 
1 1 1   18    4    0 o  167.330   15.167   38.127   6.5023   40.180   10.091   36.670   8.5025  165.924   24.191  160.652   20.929 5.271698 31.98826 
1 1 1   18    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4    2 o  105.748   24.618   16.690   6.6171   0.0000   0.0000   16.690   6.6171  ?   ?   105.748   24.618 0.000000 24.61776 
1 1 1   18    4    3 o  164.183   15.006   36.684   6.3111   32.020   9.8078   39.980   8.2447  145.884   26.947  168.968   19.177 -23.08423 33.07428 
1 1 1   18    4    4 o   85.909   21.318   10.771   4.7215   9.8410   7.8408   11.300   5.9139   82.442   29.265   86.897   24.957 -4.454453 38.46159 
1 1 1   18    4    5 f  125.672   16.419   21.828   5.2169   19.970   7.8770   23.280   6.9630  114.393   27.015  126.888   21.981 -12.49453 34.82781 
1 1 1   18    4    6 o   81.723   19.135   9.6025   3.9792   0.0000   0.0000   9.6025   3.9792  ?   ?    81.723   19.135 0.000000 19.13500 
1 1 1   18    4    7 o  154.788   13.310   32.338   5.2846   0.0000   0.0000   32.338   5.2846  ?   ?   154.788   13.310 0.000000 13.30981 
1 1 1   18    4    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   10 o  119.448   16.409   19.826   4.9430   0.0000   0.0000   19.826   4.9430  ?   ?   119.448   16.409 0.000000 16.40903 
1 1 1   18    4   11 o  131.116   15.586   23.712   5.1898   0.0000   0.0000   23.712   5.1898  ?   ?   131.116   15.586 0.000000 15.58622 
1 1 1   18    4   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   14 o   38.615   17.708  -2.2061   4.0159   0.0000   0.0000  -2.2061   4.0159  ?   ?    38.615   17.708 0.000000 17.70773 
1 1 1   18    4   15 o   81.341   22.812   10.019   5.0011   0.0000   0.0000   10.019   5.0011  ?   ?    81.341   22.812 0.000000 22.81246 
1 1 1   18    4   16 o   84.236   23.000   10.840   5.1597   0.0000   0.0000   10.840   5.1597  ?   ?    84.236   23.000 0.000000 23.00034 
1 1 1   18    4   17 o   70.944   16.347   7.2444   2.9423   5.0116   3.5312   12.315   5.3215   59.500   19.686   89.611   22.854 -30.11153 30.16353 
1 1 1   18    4   18 o   43.321   17.361   1.6139   2.9622  -0.9142   3.6260   6.6872   5.1366   39.040   17.465   67.671   23.717 -28.63049 29.45413 
1 1 1   18    4   19 o  104.549   14.396   15.269   3.7951   13.655   4.8777   17.744   6.0413   95.477   20.345  107.762   22.375 -12.28550 30.24173 
1 1 1   18    4   20 o   43.023   19.960  -2.9998   5.3184   0.0000   0.0000  -2.9998   5.3184  ?   ?    43.023   19.960 0.000000 19.95971 
1 1 1   18    4   21 o   61.265   20.827   5.4662   3.9500   1.9468   5.2044   10.248   6.0665   52.663   22.235   79.487   25.778 -26.82346 34.04311 
1 1 1   18    4   22 o   59.480   23.758   4.2360   5.5272   4.2360   5.5272   0.0000   0.0000   59.480   23.758  ?   ?  0.000000 23.75768 
1 1 1   18    4   23 o   91.032   19.980   12.612   4.5821   11.060   6.1716   14.517   6.8401   81.532   25.955   92.460   26.924 -10.92809 37.39709 
1 1 1   18    4   24 o   57.952   23.537   3.8785   5.5240   3.4150   8.0395   4.2930   7.6029   62.295   26.993   63.177   26.786 -0.8815842 38.02732 
1 1 1   18    4   25 o   84.660   21.335   11.327   4.6768   17.480   8.6151   8.7560   5.5687   96.398   30.663   73.001   24.729 23.39652 39.39236 
1 1 1   18    4   26 o  146.085   14.539   30.325   5.4284   41.580   10.312   26.010   6.3846  157.215   26.247  130.893   19.420 26.32135 32.65017 
1 1 1   18    4   27 o  101.499   20.365   16.168   5.1680   11.680   9.8426   17.876   6.0724   77.814   31.482  104.270   23.092 -26.45591 39.04333 
1 1 1   18    5    0 o  148.347   16.940   30.426   6.3928   28.950   9.9320   31.470   8.3532  136.918   28.912  147.472   22.586 -10.55444 36.68817 
1 1 1   18    5    1 o  138.682   17.132   26.665   6.0235   26.400   8.6916   26.910   8.3555  132.479   26.256  134.734   24.857 -2.254791 36.15583 
1 1 1   18    5    2 o  110.794   21.033   17.713   5.8155   8.6890   9.3281   23.450   7.4379   81.032   31.308  126.351   23.594 -45.31887 39.20231 
1 1 1   18    5    3 o  113.243   30.578   20.370   9.1799   20.370   9.1799   0.0000   0.0000  113.243   30.578  ?   ?  0.000000 30.57841 
1 1 1   18    5    4 o   62.324   26.297   2.3580   7.2720   2.3580   7.2720   0.0000   0.0000   62.324   26.297  ?   ?  0.000000 26.29739 
1 1 1   18    5    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   11 o   56.967   21.516   3.8073   4.3409   0.0000   0.0000   3.8073   4.3409  ?   ?    56.967   21.516 0.000000 21.51629 
1 1 1   18    5   12 o  156.743   15.124   33.754   6.0642   0.0000   0.0000   33.754   6.0642  ?   ?   156.743   15.124 0.000000 15.12371 
1 1 1   18    5   13 o  171.675   15.267   40.555   6.7182   0.0000   0.0000   40.555   6.7182  ?   ?   171.675   15.267 0.000000 15.26686 
1 1 1   18    5   14 o  141.852   16.677   28.154   6.0109   0.0000   0.0000   28.154   6.0109  ?   ?   141.852   16.677 0.000000 16.67722 
1 1 1   18    5   15 o   59.923   22.801   4.4010   4.8976   0.0000   0.0000   4.4010   4.8976  ?   ?    59.923   22.801 0.000000 22.80095 
1 1 1   18    5   16 o  118.399   19.818   20.455   5.8631   0.0000   0.0000   20.455   5.8631  ?   ?   118.399   19.818 0.000000 19.81769 
1 1 1   18    5   17 o   75.995   15.218   8.2077   2.8912   6.0797   3.3957   13.816   5.5126   64.406   19.032   94.937   22.720 -30.53045 29.63789 
1 1 1   18    5   18 o   91.819   14.934   11.879   3.4299   7.9246   4.2181   19.596   5.8923   72.383   21.162  114.824   20.566 -42.44053 29.50904 
1 1 1   18    5   19 o   68.542   19.283   7.0119   3.5675   6.4342   4.3741   8.1599   6.1658   65.816   21.916   72.913   25.944 -7.097351 33.96179 
1 1 1   18    5   20 o  121.281   17.245   21.175   5.2651   32.030   7.9800   12.807   7.0065  145.497   21.849   87.419   27.636 58.07739 35.22957 
1 1 1   18    5   21 f   70.783   20.680   7.6622   4.0293  -2.5851   5.1617   23.647   6.4468   42.844   19.801  125.483   20.545 -82.63909 28.53425 
1 1 1   18    5   22 o  148.815   12.671   30.483   4.8379   27.830   9.1071   31.525   5.7102  128.388   28.160  149.684   14.926 -21.29671 31.87088 
1 1 1   18    5   23 o  134.375   18.735   26.695   6.3438   23.490   9.2949   29.490   8.6797  113.898   30.775  134.263   25.896 -20.36540 40.22082 
1 1 1   18    5   24 o   64.099   21.634   6.2886   4.2616  -0.2787   8.2473   8.6809   4.9777   56.399   25.677   73.395   23.304 -16.99566 34.67524 
1 1 1   18    5   25 o  159.120   13.420   35.393   5.4797   28.910   10.349   37.919   6.4596  123.430   32.075  162.778   15.507 -39.34782 35.62709 
1 1 1   18    5   26 o   33.668   16.265  -5.3933   4.2932  -0.6140   8.2841  -7.1482   5.0199   55.063   25.317   35.021   17.072 20.04205 30.53537 
1 1 1   18    5   27 o   97.217   21.117   15.127   5.1656   19.270   9.9445   13.597   6.0451   94.833   33.014   88.161   25.206 6.671890 41.53637 
1 1 1   18    6    0 o  199.621   15.150   54.273   7.7755   50.360   11.637   57.430   10.451  184.855   24.939  201.570   20.292 -16.71487 32.15145 
1 1 1   18    6    1 o   89.695   23.370   11.980   5.4844   15.430   7.9541   8.8540   7.5724   99.225   29.074   79.086   28.676 20.13891 40.83626 
1 1 1   18    6    2 o  137.171   18.595   26.437   6.4369   21.780   9.9659   29.770   8.4316  115.859   32.101  142.458   23.680 -26.59988 39.89019 
1 1 1   18    6    3 o  214.361   14.227   62.196   7.8547   50.920   11.572   71.830   10.696  186.156   24.601  227.286   18.324 -41.13031 30.67524 
1 1 1   18    6    4 o  210.249   14.320   59.890   7.7522   55.540   11.564   63.440   10.447  195.614   23.280  212.811   19.157 -17.19789 30.14914 
1 1 1   18    6    5 o  232.952   13.490   73.134   8.1051   72.610   11.949   73.580   11.031  226.388   20.601  229.613   18.709 -3.224899 27.82881 
1 1 1   18    6    6 o   77.746   24.220   8.9309   5.4018   0.3069   7.8762   16.590   7.4225   59.947   26.331  103.498   27.295 -43.55102 37.92565 
1 1 1   18    6    7 o  218.704   14.050   64.765   7.9171   46.550   11.105   83.590   11.290  177.304   24.864  245.359   17.887 -68.05547 30.62948 
1 1 1   18    6    8 o  156.863   15.488   33.782   6.2109   0.0000   0.0000   33.782   6.2109  ?   ?   156.863   15.488 0.000000 15.48796 
1 1 1   18    6    9 o  136.735   16.860   26.032   5.8451   0.0000   0.0000   26.032   5.8451  ?   ?   136.735   16.860 0.000000 16.85996 
1 1 1   18    6   10 o  114.836   19.352   18.889   5.5517   0.0000   0.0000   18.889   5.5517  ?   ?   114.836   19.352 0.000000 19.35172 
1 1 1   18    6   11 o  101.742   20.431   15.096   5.1973   0.0000   0.0000   15.096   5.1973  ?   ?   101.742   20.431 0.000000 20.43061 
1 1 1   18    6   12 o  134.998   17.291   25.599   5.9074   0.0000   0.0000   25.599   5.9074  ?   ?   134.998   17.291 0.000000 17.29096 
1 1 1   18    6   13 o  215.548   13.857   63.252   7.6960   0.0000   0.0000   63.252   7.6960  ?   ?   215.548   13.857 0.000000 13.85733 
1 1 1   18    6   14 o  141.668   17.267   28.295   6.2052   0.0000   0.0000   28.295   6.2052  ?   ?   141.668   17.267 0.000000 17.26673 
1 1 1   18    6   15 o   94.028   23.387   13.576   5.6724   0.0000   0.0000   13.576   5.6724  ?   ?    94.028   23.387 0.000000 23.38665 
1 1 1   18    6   16 o   56.862   22.877   3.2870   5.1655   0.0000   0.0000   3.2870   5.1655  ?   ?    56.862   22.877 0.000000 22.87661 
1 1 1   18    6   17 o   54.235   16.803   4.1711   2.6040   3.6584   2.9625   5.9137   5.4613   52.132   18.026   65.345   24.243 -13.21299 30.21073 
1 1 1   18    6   18 o  126.508   12.009   21.814   3.8881   18.847   4.7009   28.238   6.9179  115.224   16.197  138.620   19.831 -23.39631 25.60554 
1 1 1   18    6   19 o   90.885   16.511   11.902   3.7439   7.3195   4.6465   20.383   6.3213   69.298   22.565  115.666   21.900 -46.36764 31.44534 
1 1 1   18    6   20 o   97.187   16.188   13.563   3.9318   9.9055   4.8634   20.463   6.6805   79.455   22.571  114.419   23.331 -34.96406 32.46235 
1 1 1   18    6   21 o   29.631   14.315  -4.6343   3.3255  -9.8510   5.9058  -2.2122   4.0242   36.666   18.008   37.973   17.527 -1.306862 25.12895 
1 1 1   18    6   22 o   31.717   15.508  -6.9152   4.2325  -8.0820   6.7017  -6.1410   5.4588   41.649   20.169   38.710   18.610 2.938427 27.44248 
1 1 1   18    6   23 o  137.401   14.069   26.487   4.9367   32.170   9.7455   24.525   5.7256  137.058   28.384  129.545   17.512 7.513580 33.35163 
1 1 1   18    6   24 o  113.993   16.711   18.949   4.7879   25.770   9.0371   16.288   5.6453  120.302   29.278  101.406   22.115 18.89680 36.69135 
1 1 1   18    6   25 o  104.900   18.220   16.518   4.7712   16.250   9.2248   16.615   5.5747   90.615   31.783  102.353   21.700 -11.73882 38.48426 
1 1 1   18    6   26 o   56.872   22.014   4.4747   4.6189  -2.0590   8.8138   6.9485   5.4232   54.166   25.318   65.787   24.205 -11.62125 35.02663 
1 1 1   18    7    0 o  186.940   16.101   48.013   7.7205   39.330   11.469   55.210   10.441  159.570   28.806  196.935   20.781 -37.36491 35.51945 
1 1 1   18    7    1 o  127.034   19.595   22.968   6.2404   16.520   9.3194   28.210   8.4022  101.022   31.866  137.857   24.424 -36.83498 40.14922 
1 1 1   18    7    2 o  127.540   19.872   23.206   6.3513   27.230   9.7786   20.270   8.3531  131.689   29.410  113.822   28.418 17.86679 40.89669 
1 1 1   18    7    3 o   94.491   24.069   13.429   5.9076   14.240   9.5131   12.920   7.5369   94.524   32.320   91.147   28.644 3.377113 43.18633 
1 1 1   18    7    4 o   52.394   22.074   1.3589   5.1118   2.0020   7.8621   0.8879   6.7280   63.013   26.991   57.219   24.743 5.793724 36.61641 
1 1 1   18    7    5 o   72.850   24.134   7.6681   5.3068   2.0660   7.8697   12.340   7.1867   63.116   27.019   89.304   27.955 -26.18795 38.87827 
1 1 1   18    7    6 o   50.175   21.566   0.5945   5.0500  -0.1534   7.2406   1.3030   7.0469   56.865   25.101   59.037   25.426 -2.172089 35.72916 
1 1 1   18    7    7 o   47.787   20.853  -0.0659   4.8690  -2.5000   6.8052   2.4870   6.9694   51.148   23.301   61.248   25.789 -10.09996 34.75615 
1 1 1   18    7    8 o  200.731   13.955   54.683   7.2107   0.0000   0.0000   54.683   7.2107  ?   ?   200.731   13.955 0.000000 13.95470 
1 1 1   18    7    9 o   62.917   22.609   5.2518   4.6937   0.0000   0.0000   5.2518   4.6937  ?   ?    62.917   22.609 0.000000 22.60936 
1 1 1   18    7   10 o   66.612   23.323   6.1700   4.9664   0.0000   0.0000   6.1700   4.9664  ?   ?    66.612   23.323 0.000000 23.32282 
1 1 1   18    7   11 o  116.910   19.960   19.780   5.8277   0.0000   0.0000   19.780   5.8277  ?   ?   116.910   19.960 0.000000 19.96045 
1 1 1   18    7   12 o  106.765   21.518   16.882   5.7453   0.0000   0.0000   16.882   5.7453  ?   ?   106.765   21.518 0.000000 21.51802 
1 1 1   18    7   13 o  153.595   17.744   33.355   6.9296   0.0000   0.0000   33.355   6.9296  ?   ?   153.595   17.744 0.000000 17.74388 
1 1 1   18    7   14 o   53.634   22.612   1.7744   5.3693   0.0000   0.0000   1.7744   5.3693  ?   ?    53.634   22.612 0.000000 22.61178 
1 1 1   18    7   15 o  172.066   16.884   41.704   7.4282   0.0000   0.0000   41.704   7.4282  ?   ?   172.066   16.884 0.000000 16.88383 
1 1 1   18    7   16 o  137.563   20.005   27.734   6.9196   0.0000   0.0000   27.734   6.9196  ?   ?   137.563   20.005 0.000000 20.00517 
1 1 1   18    7   17 o  117.038   11.518   18.615   3.4466   15.063   4.0056   28.744   6.7640  103.253   15.452  140.505   19.078 -37.25271 24.55086 
1 1 1   18    7   18 o   70.147   18.354   7.3081   3.3735   5.0319   4.0092   12.828   6.2431   59.685   20.952   88.827   25.681 -29.14176 33.14339 
1 1 1   18    7   19 o  138.290   12.129   26.148   4.3010   16.000   7.3996   31.326   5.2856   97.123   27.923  150.374   13.721 -53.24998 31.11231 
1 1 1   18    7   20 o  212.241   11.134   60.990   6.0995   35.850   9.6714   77.593   7.8596  149.002   26.004  237.816   12.806 -88.81433 28.98632 
1 1 1   18    7   21 o   53.270   21.495   3.0002   4.5752   3.3910   6.7446   2.6670   6.2269   59.850   25.293   56.953   24.198 2.896828 35.00451 
1 1 1   18    7   22 o   52.508   20.494   3.2858   4.0287   7.3780   7.5587   1.6621   4.7613   70.145   27.857   49.917   21.182 20.22859 34.99569 
1 1 1   18    7   23 o  138.774   14.072   27.080   4.9884   28.100   9.6305   26.706   5.8317  125.115   30.085  135.449   16.996 -10.33451 34.55419 
1 1 1   18    7   24 o   44.661   19.406   0.6254   4.1783   2.5590   7.9437  -0.1142   4.9128   59.747   26.337   45.867   20.438 13.87971 33.33666 
1 1 1   18    7   25 o   54.560   21.499   3.8038   4.4699   3.3190   8.4607   3.9915   5.2646   61.489   27.139   56.774   23.006 4.715446 35.57755 
1 1 1   18    7   26 o   43.221   19.383  -0.3337   4.4949   1.5180   8.7683  -0.9937   5.2350   58.530   26.581   44.796   20.419 13.73419 33.51836 
1 1 1   18    8    0 o  121.462   22.022   21.585   6.6734   24.790   10.133   19.130   8.8681  123.323   31.583  108.925   30.317 14.39759 43.77914 
1 1 1   18    8    1 o  110.829   23.439   18.309   6.5187   22.230   10.132   15.540   8.5148  115.962   32.453   98.380   30.369 17.58152 44.44598 
1 1 1   18    8    2 o  108.188   23.300   17.444   6.3366   26.240   9.6637   10.810   8.3928  128.627   29.617   84.624   30.252 44.00237 42.33576 
1 1 1   18    8    3 o  138.000   19.416   27.084   6.7485   34.050   10.649   22.410   8.7238  147.698   28.870  119.306   28.600 28.39220 40.63834 
1 1 1   18    8    4 o  164.032   16.570   37.264   6.9438   29.430   9.9439   44.720   9.7007  136.917   28.944  175.931   21.750 -39.01352 36.20487 
1 1 1   18    8    5 o  154.092   17.155   33.088   6.7310   25.480   9.4389   40.960   9.6011  126.721   29.335  167.452   22.722 -40.73064 37.10566 
1 1 1   18    8    6 o  139.332   18.446   27.425   6.4938   16.380   9.0384   39.210   9.3361  100.081   31.354  163.789   22.608 -63.70853 38.65462 
1 1 1   18    8    7 o   77.832   24.958   9.0726   5.6988   11.140   7.8190   6.7300   8.3233   84.961   29.291   73.790   29.255 11.17033 41.39823 
1 1 1   18    8    8 o  112.564   22.319   18.771   6.2777   19.560   8.8996   17.990   8.8565  109.488   30.334  104.760   30.674 4.727776 43.14009 
1 1 1   18    8    9 o  112.060   20.044   18.209   5.6044   0.0000   0.0000   18.209   5.6044  ?   ?   112.060   20.044 0.000000 20.04353 
1 1 1   18    8   10 o  106.946   21.356   16.886   5.7090   0.0000   0.0000   16.886   5.7090  ?   ?   106.946   21.356 0.000000 21.35625 
1 1 1   18    8   11 o  101.355   23.142   15.561   5.9421   0.0000   0.0000   15.561   5.9421  ?   ?   101.355   23.142 0.000000 23.14174 
1 1 1   18    8   12 o  196.098   15.651   53.254   7.8835   0.0000   0.0000   53.254   7.8835  ?   ?   196.098   15.651 0.000000 15.65051 
1 1 1   18    8   13 o  220.640   15.051   67.168   8.5505   0.0000   0.0000   67.168   8.5505  ?   ?   220.640   15.051 0.000000 15.05081 
1 1 1   18    8   14 o   79.313   26.306   9.8671   6.3041   0.0000   0.0000   9.8671   6.3041  ?   ?    79.313   26.306 0.000000 26.30592 
1 1 1   18    8   15 o  189.833   16.768   50.820   8.1602   0.0000   0.0000   50.820   8.1602  ?   ?   189.833   16.768 0.000000 16.76754 
1 1 1   18    8   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   17 o   80.543   15.547   9.2922   3.1260   4.3144   3.5283   27.463   6.7411   55.947   19.654  136.585   19.617 -80.63823 27.76874 
1 1 1   18    8   18 o  151.430   11.089   31.058   4.3194   49.690   7.8305   22.910   5.1785  187.230   16.309  126.878   16.121 60.35239 22.93151 
1 1 1   18    8   19 o   85.463   17.687   10.771   3.7865   5.7290   6.4088   13.475   4.6932   65.191   25.726   94.494   19.807 -29.30302 32.46784 
1 1 1   18    8   20 o  114.754   26.174   21.760   7.6078   0.0000   0.0000   21.760   7.6078  ?   ?   114.754   26.174 0.000000 26.17368 
1 1 1   18    8   21 o   52.914   20.365   3.4678   3.9354   2.8440   7.1522   3.7386   4.7129   59.362   25.591   55.734   22.040 3.627430 33.77335 
1 1 1   18    8   22 o   74.103   21.080   8.6318   4.2391   7.3510   7.7656   9.1755   5.0595   69.872   28.071   75.204   23.442 -5.331184 36.57193 
1 1 1   18    8   23 o   78.879   21.125   9.8599   4.4027   13.790   8.3440   8.3436   5.1830   85.830   30.219   71.531   23.858 14.29865 38.50210 
1 1 1   18    8   24 o  145.812   13.351   29.833   4.9867   26.550   9.5827   31.052   5.8397  118.695   30.875  146.782   15.598 -28.08701 34.59152 
1 1 1   18    8   25 o   81.589   21.537   10.814   4.6185   15.750   8.9597   9.0276   5.3898   88.240   31.287   72.887   24.330 15.35290 39.63425 
1 1 1   18    8   26 o   61.057   22.677   5.8298   4.7811  -3.4060   8.7277   9.7897   5.7149   51.659   24.468   74.521   25.053 -22.86203 35.01854 
1 1 1   18    9    0 o  166.577   18.106   38.985   7.6868   37.250   11.180   40.540   10.586  153.923   29.108  163.727   25.815 -9.803955 38.90608 
1 1 1   18    9    1 o  163.310   18.383   37.568   7.6413   21.560   11.145   51.770   10.497  111.812   34.781  189.006   21.843 -77.19436 41.07156 
1 1 1   18    9    2 o  217.708   15.594   65.089   8.7357   54.650   12.796   74.200   11.955  189.387   26.835  227.975   20.462 -38.58838 33.74693 
1 1 1   18    9    3 o  158.997   18.801   35.770   7.5932   12.790   11.070   56.190   10.435   90.300   34.299  198.015   20.648 -107.7147 40.03431 
1 1 1   18    9    4 f  142.473   19.929   29.100   7.1534   29.070   10.146   29.130   10.087  134.752   29.854  135.079   29.642 -0.3273468 42.07038 
1 1 1   18    9    5 o  122.758   21.609   22.084   6.6202   19.160   9.1954   25.230   9.5389  107.721   31.174  125.146   29.845 -17.42577 43.15714 
1 1 1   18    9    6 o   55.694   23.403   1.9366   5.7213   6.4780   7.8928  -3.0920   8.3054   72.213   28.533   55.329   25.406 16.88459 38.20493 
1 1 1   18    9    7 f  104.463   23.940   16.577   6.3391   10.670   8.4239   24.290   9.6254   83.418   30.246  121.795   30.560 -38.37757 42.99665 
1 1 1   18    9    8 o   84.610   26.067   11.113   6.2767  -2.9380   8.7499   26.010   9.0091   56.811   26.084  128.290   27.905 -71.47891 38.19733 
1 1 1   18    9    9 o   48.876   21.983  -1.3272   5.8294   4.0770   8.0694  -7.2260   8.4305   66.759   27.907   50.277   23.881 16.48211 36.72956 
1 1 1   18    9   10 o  142.382   19.284   29.135   6.9293   0.0000   0.0000   29.135   6.9293  ?   ?   142.382   19.284 0.000000 19.28444 
1 1 1   18    9   11 o  164.927   17.486   38.411   7.3564   0.0000   0.0000   38.411   7.3564  ?   ?   164.927   17.486 0.000000 17.48628 
1 1 1   18    9   12 o   43.436   20.401  -4.4612   5.8410   0.0000   0.0000  -4.4612   5.8410  ?   ?    43.436   20.401 0.000000 20.40060 
1 1 1   18    9   13 o   44.626   20.707  -3.2967   5.7275   0.0000   0.0000  -3.2967   5.7275  ?   ?    44.626   20.707 0.000000 20.70694 
1 1 1   18    9   14 o  129.290   22.335   25.262   7.2094   0.0000   0.0000   25.262   7.2094  ?   ?   129.290   22.335 0.000000 22.33469 
1 1 1   18    9   15 o  176.802   17.625   44.685   7.9642   0.0000   0.0000   44.685   7.9642  ?   ?   176.802   17.625 0.000000 17.62522 
1 1 1   18    9   16 o  224.024   15.817   70.504   9.1193   0.0000   0.0000   70.504   9.1193  ?   ?   224.024   15.817 0.000000 15.81668 
1 1 1   18    9   17 o  186.038   10.603   46.649   5.0883   23.330   7.7130   64.617   6.7707  120.346   25.533  217.837   12.046 -97.49137 28.23208 
1 1 1   18    9   18 o  176.524   13.247   43.020   6.0129   23.210   8.2689   65.250   8.7594  117.504   27.631  214.801   15.855 -97.29716 31.85713 
1 1 1   18    9   19 o   68.086   19.906   7.0786   3.7323   4.6130   6.4267   8.3333   4.5846   62.007   25.308   72.791   22.253 -10.78417 33.70034 
1 1 1   18    9   20 o  148.872   21.374   33.934   8.0058   0.0000   0.0000   33.934   8.0058  ?   ?   148.872   21.374 0.000000 21.37378 
1 1 1   18    9   21 o  133.485   13.819   24.992   4.7090   20.430   8.5885   26.953   5.6307  105.876   29.966  136.775   16.208 -30.89991 34.06863 
1 1 1   18    9   22 o  138.263   13.858   26.888   4.8962   8.8710   8.9218   34.653   5.8570   73.540   29.895  156.409   14.626 -82.86915 33.28123 
1 1 1   18    9   23 o  127.007   15.202   23.172   4.9018   3.3900   9.2896   30.806   5.7706   63.265   28.153  146.378   15.453 -83.11291 32.11547 
1 1 1   18    9   24 o  132.379   15.066   25.236   5.0741   29.640   9.8809   23.658   5.9133  125.240   30.696  124.740   18.893 0.5007019 36.04440 
1 1 1   18    9   25 o   62.069   22.599   6.0899   4.7098   5.3850   9.0049   6.3554   5.5259   64.703   28.294   63.369   24.194 1.334278 37.22747 
1 1 1   18   10    0 o   62.569   25.413   3.8759   6.4402   4.3930   9.5642   3.4470   8.7112   70.849   30.041   67.221   28.592 3.628044 41.47243 
1 1 1   18   10    1 o   95.172   27.196   14.323   7.0393   7.5200   10.145   20.640   9.7755   77.853   31.789  110.692   32.173 -32.83855 45.22913 
1 1 1   18   10    2 o  198.808   17.307   55.233   8.8237   40.250   12.692   69.250   12.276  155.975   32.470  217.995   22.043 -62.02003 39.24477 
1 1 1   18   10    3 o  198.443   17.231   55.014   8.7694   40.800   12.733   67.840   12.095  157.117   32.363  215.806   21.943 -58.68814 39.10062 
1 1 1   18   10    4 o   90.274   26.843   12.832   6.7386   11.140   9.6081   14.470   9.4533   85.059   32.037   93.509   32.209 -8.450203 45.42925 
1 1 1   18   10    5 o   75.747   26.492   8.5189   6.4069   8.0080   8.6847   9.1290   9.4903   76.692   30.047   80.196   31.412 -3.503754 43.46847 
1 1 1   18   10    6 o   78.511   25.824   9.4045   6.0800   3.4160   7.9582   17.800   9.4228   65.137   27.499  102.542   31.996 -37.40520 42.18867 
1 1 1   18   10    7 o   55.573   23.489   1.8690   5.8179   4.8880   7.7043  -2.1370   8.8748   67.625   27.668   58.108   26.525 9.516666 38.32883 
1 1 1   18   10    8 o  120.378   23.219   21.865   6.9776   19.120   9.5556   25.000   10.213  105.686   32.088  121.297   32.030 -15.61179 45.33840 
1 1 1   18   10    9 o  105.642   24.611   17.295   6.6097   18.940   8.8690   15.240   9.9130  106.082   30.591   94.304   32.954 11.77776 44.96455 
1 1 1   18   10   10 o   77.597   26.289   9.3006   6.2933   9.0350   8.2651   9.6670   9.7082   77.873   29.623   80.560   31.704 -2.686775 43.38932 
1 1 1   18   10   11 o   83.356   25.688   11.000   6.0952   0.0000   0.0000   11.000   6.0952  ?   ?    83.356   25.688 0.000000 25.68792 
1 1 1   18   10   12 o   69.640   26.045   6.9229   6.3280   0.0000   0.0000   6.9229   6.3280  ?   ?    69.640   26.045 0.000000 26.04478 
1 1 1   18   10   13 o  197.247   17.231   55.241   8.7156   0.0000   0.0000   55.241   8.7156  ?   ?   197.247   17.231 0.000000 17.23134 
1 1 1   18   10   14 o   81.200   27.345   10.769   6.8089   0.0000   0.0000   10.769   6.8089  ?   ?    81.200   27.345 0.000000 27.34536 
1 1 1   18   10   15 o   58.926   25.001   2.8292   6.6310   0.0000   0.0000   2.8292   6.6310  ?   ?    58.926   25.001 0.000000 25.00099 
1 1 1   18   10   16 o   41.457   16.489   1.5815   2.6519  -0.1955   3.7105   3.4370   3.7916   40.963   18.031   52.780   20.067 -11.81691 26.97759 
1 1 1   18   10   17 o  138.684   11.622   26.253   4.1365   7.6770   6.5620   38.502   5.3285   70.658   26.503  167.566   12.364 -96.90715 29.24505 
1 1 1   18   10   18 o   95.966   15.998   13.292   3.8367   4.4090   6.6396   17.745   4.7011   61.823   25.533  110.493   16.968 -48.66966 30.65695 
1 1 1   18   10   19 f   36.897   16.600  -0.8995   3.3264   4.0020   5.9869  -3.0883   4.0007   59.249   24.333   36.019   16.906 23.23089 29.62938 
1 1 1   18   10   20 o   47.127   21.967  -3.0249   6.5635   0.0000   0.0000  -3.0249   6.5635  ?   ?    47.127   21.967 0.000000 21.96748 
1 1 1   18   10   21 o   46.368   19.379   1.6374   3.8902   7.2140   7.3007  -0.5738   4.5972   68.606   27.336   43.637   19.583 24.96921 33.62658 
1 1 1   18   10   22 o   69.136   21.730   7.6566   4.3375   6.2120   8.0281   8.2521   5.1546   66.559   27.830   70.826   23.793 -4.267746 36.61452 
1 1 1   18   10   23 o   90.879   19.666   12.870   4.4950   12.190   8.4983   13.134   5.2965   79.834   30.117   89.182   22.830 -9.347572 37.79227 
1 1 1   18   10   24 o  100.560   19.535   15.767   4.9052  -5.1160   9.3458   23.706   5.7627   51.555   24.669  124.923   18.356 -73.36820 30.74934 
1 1 1   18   10   25 o   43.634   19.459   0.0726   4.4635   5.0670   8.7897  -1.6629   5.1813   63.169   27.780   42.993   19.859 20.17551 34.14811 
1 1 1   18   11    0 o  177.841   11.703   42.574   5.3611   0.0000   0.0000   42.574   5.3611  ?   ?   177.841   11.703 0.000000 11.70308 
1 1 1   18   11    1 f   95.081   33.861   15.470   10.505   0.0000   0.0000   15.470   10.505  ?   ?    95.081   33.861 0.000000 33.86106 
1 1 1   18   11    2 o   64.143   28.401   1.0600   9.3386   0.0000   0.0000   1.0600   9.3386  ?   ?    64.143   28.401 0.000000 28.40059 
1 1 1   18   11    3 o   88.903   28.616   12.746   7.4863   6.8430   10.866   18.080   10.329   76.912   32.283  101.798   33.667 -24.88552 46.64387 
1 1 1   18   11    4 o   70.835   27.032   6.8140   6.8966   5.4820   9.9831   8.0300   9.5387   72.985   30.805   77.339   31.097 -4.354179 43.77149 
1 1 1   18   11    5 o  104.463   26.279   17.270   7.1043   8.9460   9.6277   27.220   10.526   79.298   31.456  126.558   32.070 -47.25990 44.92190 
1 1 1   18   11    6 o   80.101   26.685   10.004   6.4847   5.8480   8.6738   15.270   9.7641   71.210   29.272   94.406   32.722 -23.19556 43.90385 
1 1 1   18   11    7 o  120.956   23.186   22.177   7.0000   25.810   9.4998   17.860   10.354  124.967   29.772  100.457   33.722 24.51053 44.98365 
1 1 1   18   11    8 f   81.109   26.864   10.396   6.5752   7.9070   8.9049   13.380   9.7498   75.683   30.179   89.091   32.503 -13.40804 44.35345 
1 1 1   18   11    9 o   89.498   27.052   12.984   6.8028   1.9570   8.9973   27.700   10.394   64.050   28.138  127.048   31.690 -62.99797 42.37941 
1 1 1   18   11   10 o  114.349   24.227   20.329   6.9529   8.1910   8.9504   38.800   11.041   75.851   30.253  154.402   28.662 -78.55147 41.67440 
1 1 1   18   11   11 o   81.226   32.073   10.430   9.9669   0.0000   0.0000   10.430   9.9669  ?   ?    81.226   32.073 0.000000 32.07325 
1 1 1   18   11   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   15 o   39.641   15.443   1.5721   2.2841   3.1780   3.3072   0.1075   3.1584   50.384   18.831   38.871   16.881 11.51352 25.28987 
1 1 1   18   11   16 o   45.874   17.350   2.4857   2.8250   4.1860   4.4891   1.3708   3.6351   56.848   21.782   44.933   18.752 11.91578 28.74194 
1 1 1   18   11   17 o  119.293   13.089   19.796   3.9783   7.6420   6.5026   27.066   5.0293   70.026   26.360  138.877   14.180 -68.85109 29.93154 
1 1 1   18   11   18 o  104.640   15.219   15.677   4.0042   9.9500   6.9211   18.558   4.9092   76.589   27.462  112.427   17.421 -35.83821 32.52155 
1 1 1   18   11   19 o  161.331   19.940   39.356   8.1556   0.0000   0.0000   39.356   8.1556  ?   ?   161.331   19.940 0.000000 19.94025 
1 1 1   18   11   20 o  141.241   13.204   27.887   4.7747   9.7250   8.6676   35.799   5.7210   75.084   29.827  159.448   13.993 -84.36412 32.94592 
1 1 1   18   11   21 o   36.297   16.891  -2.3641   3.8551  -3.6000   7.0710  -1.8414   4.5987   47.562   22.373   40.905   18.828 6.656677 29.24108 
1 1 1   18   11   22 o  121.249   16.088   21.500   4.9281   10.200   8.9809   26.369   5.8949   74.869   30.149  133.060   17.530 -58.19093 34.87529 
1 1 1   18   11   23 o   76.430   21.810   9.6383   4.5305   6.0410   8.6665   10.991   5.3145   65.571   28.219   80.028   23.848 -14.45773 36.94616 
1 1 1   18   11   24 o   74.002   22.690   9.3112   4.7624   2.9720   8.8422   11.902   5.6522   59.921   27.002   81.965   24.632 -22.04356 36.54903 
1 1 1   18   12    0 o   64.343   18.325   6.0382   3.2015   2.8850   10.665   6.3505   3.3563   69.392   30.556   65.843   18.767 3.549118 35.85865 
1 1 1   18   12    1 o  200.762   9.6669   53.553   5.0271   33.240   12.265   57.654   5.5113  136.836   34.587  207.993   10.230 -71.15770 36.06805 
1 1 1   18   12    2 o   57.386   26.748  -4.2460   9.7276  -4.2460   9.7276   0.0000   0.0000   57.386   26.748  ?   ?  0.000000 26.74751 
1 1 1   18   12    3 o   66.323   29.299   1.9900   9.8841   1.9900   9.8841   0.0000   0.0000   66.323   29.299  ?   ?  0.000000 29.29934 
1 1 1   18   12    4 o   76.074   31.349   7.4940   9.9792   7.4940   9.9792   0.0000   0.0000   76.074   31.349  ?   ?  0.000000 31.34876 
1 1 1   18   12    5 o   60.087   27.351  -1.2350   9.3520  -1.2350   9.3520   0.0000   0.0000   60.087   27.351  ?   ?  0.000000 27.35099 
1 1 1   18   12    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12    7 o   99.462   33.991   17.990   10.522   17.990   10.522   0.0000   0.0000   99.462   33.991  ?   ?  0.000000 33.99127 
1 1 1   18   12    8 o  131.092   32.626   30.210   11.035   30.210   11.035   0.0000   0.0000  131.092   32.626  ?   ?  0.000000 32.62557 
1 1 1   18   12    9 o   49.129   23.583  -8.3240   8.6935  -8.3240   8.6935   0.0000   0.0000   49.129   23.583  ?   ?  0.000000 23.58325 
1 1 1   18   12   10 o   66.760   29.191   3.3470   9.5832   3.3470   9.5832   0.0000   0.0000   66.760   29.191  ?   ?  0.000000 29.19077 
1 1 1   18   12   11 o  100.028   27.249   16.694   7.2519   12.180   9.6118   22.660   11.049   84.111   31.957  108.781   34.739 -24.66995 47.20211 
1 1 1   18   12   12 o  200.058   16.812   57.055   8.6312   0.0000   0.0000   57.055   8.6312  ?   ?   200.058   16.812 0.000000 16.81155 
1 1 1   18   12   13 o   67.608   26.053   6.6061   6.4465   0.0000   0.0000   6.6061   6.4465  ?   ?    67.608   26.053 0.000000 26.05280 
1 1 1   18   12   14 o   86.471   13.129   10.469   2.8482   5.2650   4.2973   14.546   3.8037   60.444   21.643  101.154   14.969 -40.70936 26.31495 
1 1 1   18   12   15 o  165.775   10.179   37.085   4.3500   19.350   6.9853   48.320   5.5595  108.441   25.326  188.318   11.451 -79.87637 27.79495 
1 1 1   18   12   16 o   68.716   18.654   7.1753   3.4054   0.5592   5.4955   11.299   4.3389   49.744   21.918   85.725   19.919 -35.98133 29.61702 
1 1 1   18   12   17 o   75.840   18.528   8.7457   3.6086   7.0660   6.1903   9.6104   4.4413   67.625   25.657   77.882   21.370 -10.25701 33.39124 
1 1 1   18   12   18 o   55.334   19.769   4.3677   3.5834   1.7030   6.2208   5.6911   4.3838   54.043   23.577   61.472   21.876 -7.428314 32.16268 
1 1 1   18   12   19 o   54.318   24.217   0.9965   6.9082   0.0000   0.0000   0.9965   6.9082  ?   ?    54.318   24.217 0.000000 24.21705 
1 1 1   18   12   20 o   67.535   21.237   7.2793   4.1423   4.4620   7.6867   8.4323   4.9173   62.229   26.673   71.484   23.210 -9.255600 35.35771 
1 1 1   18   12   21 o   38.005   17.549  -1.8871   4.0400   0.2119   7.2991  -2.8141   4.8509   53.401   24.252   40.092   18.753 13.30961 30.65682 
1 1 1   18   12   22 o   57.579   21.310   4.9609   4.2145   6.6040   8.2209   4.3751   4.9086   66.098   27.929   56.569   22.454 9.529049 35.83587 
1 1 1   18   12   23 o   48.915   20.560   2.2552   4.4173  -1.7100   8.3327   3.8050   5.2095   52.358   24.519   55.064   22.666 -2.706326 33.39036 
1 1 1   18   12   24 o   69.858   23.167   8.4933   4.8894  -1.8530   9.3406   12.398   5.7384   53.788   25.427   82.704   24.811 -28.91586 35.52643 
1 1 1   18   13    0 o   51.592   18.639   3.4318   3.1950  -2.6770   9.7410   4.1682   3.3821   58.862   27.204   55.256   19.252 3.606087 33.32701 
1 1 1   18   13    1 o  110.415   13.413   16.839   3.7573  -1.9520   10.682   19.493   4.0139   62.124   28.632  118.977   13.249 -56.85283 31.54915 
1 1 1   18   13    2 o  127.973   11.453   22.199   3.7563   23.580   11.587   22.036   3.9707  111.693   35.564  127.120   12.209 -15.42718 37.60108 
1 1 1   18   13    3 o  160.577   13.143   35.331   5.4186   20.610   11.675   39.372   6.1174  103.997   35.797  168.865   14.115 -64.86776 38.47881 
1 1 1   18   13    4 o  151.857   21.870   34.590   8.3545   28.880   11.562   40.830   12.086  125.470   34.500  154.992   31.183 -29.52193 46.50439 
1 1 1   18   13    5 o   55.167   24.417   0.4238   6.8955  -1.3160   9.4602   2.3960   10.072   59.694   27.302   66.476   29.461 -6.781963 40.16658 
1 1 1   18   13    6 o  129.756   23.291   25.914   7.5405   20.170   10.229   32.750   11.159  104.656   33.425  136.792   32.054 -32.13640 46.31078 
1 1 1   18   13    7 o  107.102   27.193   18.953   7.5575   24.600   10.319   12.420   11.100  116.482   32.804   85.101   33.769 31.38105 47.07946 
1 1 1   18   13    8 f   81.957   28.132   11.172   7.2085   14.620   9.9079   7.2940   10.507   89.916   32.771   74.651   31.560 15.26447 45.49740 
1 1 1   18   13    9 o   93.349   28.102   14.853   7.3519   8.8860   9.8181   22.470   11.092   76.683   31.288  107.709   34.850 -31.02618 46.83415 
1 1 1   18   13   10 o  123.504   25.443   24.593   7.8686   41.700   11.128   7.4860   11.128  158.435   28.146   75.003   32.119 83.43131 42.70650 
1 1 1   18   13   11 o   66.451   26.709   5.9138   7.0338   3.0120   9.3367   9.7220   10.696   64.720   28.540   78.182   32.358 -13.46198 43.14567 
1 1 1   18   13   12 o   98.782   16.786   14.195   4.1414   11.140   10.300   14.784   4.5231   80.360   32.314   99.974   18.134 -19.61479 37.05423 
1 1 1   18   13   13 o   86.545   13.966   10.609   3.0243   0.6030   4.5930   18.269   4.0185   46.623   20.302  114.068   13.887 -67.44429 24.59717 
1 1 1   18   13   14 o  102.148   13.781   14.700   3.5533   7.8760   5.5775   19.362   4.6098   70.181   24.707  116.102   15.733 -45.92124 29.29115 
1 1 1   18   13   15 o   80.494   17.542   9.6906   3.5542   3.9660   5.5994   13.553   4.5995   58.019   23.645   94.231   19.487 -36.21164 30.64079 
1 1 1   18   13   16 o  134.812   12.779   25.289   4.4092   9.9980   7.4166   33.647   5.4835   75.923   28.235  154.762   13.824 -78.83878 31.43766 
1 1 1   18   13   17 o  104.033   16.305   15.827   4.2493   2.8740   7.2527   22.598   5.2436   58.676   25.531  124.257   16.715 -65.58122 30.51624 
1 1 1   18   13   18 o  102.893   27.575   18.909   7.4984   0.0000   0.0000   18.909   7.4984  ?   ?   102.893   27.575 0.000000 27.57465 
1 1 1   18   13   19 o   70.424   21.100   7.9802   4.1521  -1.9500   7.3549   12.625   5.0304   50.430   23.423   87.992   22.100 -37.56158 32.20305 
1 1 1   18   13   20 o  103.396   18.352   16.298   4.7352   2.3130   8.5235   22.542   5.6949   59.213   26.612  121.597   18.678 -62.38406 32.51284 
1 1 1   18   13   21 o  111.108   17.756   18.711   4.9382   19.900   9.0042   18.199   5.9056   98.189   31.360  105.188   22.363 -6.998878 38.51699 
1 1 1   18   13   22 o  128.651   15.860   24.449   5.1733   17.470   9.7738   27.165   6.0975   88.217   32.488  133.281   18.133 -45.06389 37.20581 
1 1 1   18   13   23 o   50.669   21.188   2.8220   4.6539   4.5940   8.6414   2.0980   5.5234   61.182   27.194   51.031   22.241 10.15135 35.13062 
1 1 1   18   14    0 o   80.779   18.203   9.6602   3.7175  -4.2600   10.543   11.637   3.9727   58.430   27.432   89.063   17.842 -30.63223 32.72372 
1 1 1   18   14    1 o   97.913   15.142   13.580   3.7163   6.1120   11.131   14.517   3.9426   73.438   31.791  101.059   15.560 -27.62086 35.39502 
1 1 1   18   14    2 o   89.305   15.926   11.438   3.5490   15.440   11.554   11.021   3.7293   90.868   34.914   86.974   17.163 3.893616 38.90487 
1 1 1   18   14    3 o  113.148   12.989   17.689   3.7379   23.600   11.819   17.032   3.9401  109.278   36.008  110.403   14.100 -1.124702 38.67040 
1 1 1   18   14    4 o  183.327   10.274   45.182   4.8592   29.980   12.718   47.781   5.2582  122.615   36.972  188.158   10.834 -65.54224 38.52676 
1 1 1   18   14    5 o  107.669   12.621   15.997   3.4533  -3.2280   11.098   18.057   3.6337   60.613   28.357  114.559   12.445 -53.94590 30.96747 
1 1 1   18   14    6 o  100.301   12.356   13.880   3.1423   13.840   9.9822   13.884   3.3106   87.260   32.696   99.946   13.103 -12.68642 35.22425 
1 1 1   18   14    7 o   64.189   15.656   5.9986   2.5799  -5.2550   10.358   6.7429   2.6638   56.394   26.694   68.199   15.439 -11.80448 30.83704 
1 1 1   18   14    8 o   61.294   15.757   5.4854   2.5155  -6.5800   9.7596   6.3439   2.6034   53.315   25.428   66.046   15.486 -12.73151 29.77238 
1 1 1   18   14    9 o   57.395   16.225   4.8213   2.5194   5.5490   9.2275   4.7626   2.6189   68.606   29.310   57.015   16.676 11.59091 33.72214 
1 1 1   18   14   10 o   49.538   16.630   3.4226   2.5183   9.7610   10.439   3.0309   2.5949   77.312   31.980   47.672   16.845 29.64011 36.14499 
1 1 1   18   14   11 o   72.426   20.375   8.1453   3.9831  -3.2440   10.547   10.040   4.3016   58.233   27.370   80.316   20.582 -22.08357 34.24562 
1 1 1   18   14   12 o   98.861   13.466   13.748   3.3587   8.4967   4.6366   19.546   4.8718   72.890   22.395  115.861   16.717 -42.97092 27.94618 
1 1 1   18   14   13 o   56.006   18.452   4.6153   3.1035   4.2493   4.3405   4.9981   4.4393   56.225   21.448   59.037   21.867 -2.812160 30.62947 
1 1 1   18   14   14 o  179.699   11.450   44.243   5.3018   17.800   7.9346   65.573   7.1262   98.561   29.084  217.549   12.701 -118.9887 31.73598 
1 1 1   18   14   15 o   85.766   17.808   11.089   3.8267   3.4740   6.4454   15.234   4.7556   58.125   24.654   99.947   19.065 -41.82121 31.16569 
1 1 1   18   14   16 o   76.982   19.685   9.2825   3.9408   3.7880   6.6300   12.284   4.9003   58.986   25.011   87.269   21.754 -28.28350 33.14821 
1 1 1   18   14   17 o   52.376   23.498   0.6060   6.6141   0.0000   0.0000   0.6060   6.6141  ?   ?    52.376   23.498 0.000000 23.49823 
1 1 1   18   14   18 o   59.782   20.508   5.5264   3.8304   4.9820   6.9328   5.7655   4.5955   61.590   25.815   61.066   22.309 0.5240898 34.11940 
1 1 1   18   14   19 o   69.290   21.398   7.8622   4.2268   5.1270   7.5781   9.0975   5.0926   62.385   26.605   72.987   23.613 -10.60239 35.57246 
1 1 1   18   14   20 o   57.947   21.805   5.0842   4.4490  -3.7650   8.1998   8.7762   5.2964   49.635   23.569   71.082   24.117 -21.44762 33.72091 
1 1 1   18   14   21 o   61.375   22.491   6.1190   4.6761   9.0670   8.6899   4.9174   5.5478   69.928   29.072   58.312   23.621 11.61538 37.45844 
1 1 1   18   14   22 o   55.270   21.797   4.4572   4.5976   19.320   8.7682  -1.1789   5.3994   94.229   31.013   44.115   20.341 50.11407 37.08851 
1 1 1   18   15    0 o   86.512   29.745   13.279   8.0606   1.5300   11.323   25.350   11.477   66.070   30.083  112.650   35.339 -46.57996 46.40877 
1 1 1   18   15    1 f  162.323   11.677   35.951   4.8769   31.430   12.767   36.723   5.2771  124.027   36.963  163.420   12.563 -39.39252 39.03959 
1 1 1   18   15    2 o  176.512   11.277   42.346   5.1291   14.990   13.090   47.309   5.5750   87.729   35.998  186.345   11.607 -98.61611 37.82339 
1 1 1   18   15    3 o  105.222   15.020   15.737   3.9775 -12.5300   11.810   19.354   4.2243   53.349   26.045  117.380   14.181 -64.03128 29.65576 
1 1 1   18   15    4 o  100.388   15.151   14.375   3.8171   12.040   11.520   14.663   4.0457   82.232   33.760  100.880   16.018 -18.64865 37.36744 
1 1 1   18   15    5 f  120.354   13.126   20.142   4.0257   25.810   11.706   19.381   4.2872  112.423   35.741  117.229   14.423 -4.806328 38.54168 
1 1 1   18   15    6 o  121.919   12.441   20.540   3.8739   17.860   11.629   20.874   4.1086   93.329   35.224  122.472   13.157 -29.14283 37.60137 
1 1 1   18   15    7 o  162.837   13.936   37.091   5.8216   30.890   11.892   39.046   6.6764  124.219   35.296  165.417   15.773 -41.19869 38.66031 
1 1 1   18   15    8 o   67.459   18.046   6.8729   3.2149  -8.0060   10.340   8.4653   3.3826   52.866   25.464   75.129   17.677 -22.26318 30.99843 
1 1 1   18   15    9 o   93.276   15.162   12.518   3.5374   4.5410   10.558   13.527   3.7544   67.795   30.099   96.826   15.491 -29.03020 33.85167 
1 1 1   18   15   10 o   87.424   20.579   11.944   4.5829   1.6910   10.538   14.335   5.0894   63.529   28.962   95.611   21.114 -32.08194 35.84164 
1 1 1   18   15   11 o   87.262   16.696   11.255   3.6364   9.0113   5.0543   13.662   5.2358   74.053   23.479   92.241   22.185 -18.18832 32.30232 
1 1 1   18   15   12 o   88.163   16.788   11.524   3.6938   3.7228   5.0316   20.642   5.4397   55.700   22.519  117.151   18.543 -61.45115 29.17100 
1 1 1   18   15   13 o   64.986   19.636   6.5792   3.5847   8.7574   5.0169   4.3072   5.1238   72.718   23.428   57.437   22.896 15.28156 32.75779 
1 1 1   18   15   14 o   69.552   21.094   7.7603   4.1313   2.5050   6.3185   11.685   5.4601   55.384   23.964   83.059   24.017 -27.67551 33.92793 
1 1 1   18   15   15 o   82.383   19.192   10.574   4.0195   10.110   6.6875   10.836   5.0294   75.280   26.994   80.547   22.978 -5.267548 35.44966 
1 1 1   18   15   16 o   86.811   29.795   14.805   8.0861   0.0000   0.0000   14.805   8.0861  ?   ?    86.811   29.795 0.000000 29.79547 
1 1 1   18   15   17 o   62.052   21.370   6.1281   4.1613  -2.1290   7.2584   10.171   5.0788   49.407   23.054   77.198   23.383 -27.79111 32.83680 
1 1 1   18   15   18 o   82.871   20.284   11.066   4.3189   11.630   7.8624   10.823   5.1685   77.175   28.998   79.200   23.499 -2.024551 37.32420 
1 1 1   18   15   19 o  106.551   17.857   17.399   4.7542   14.380   8.6494   18.706   5.6910   82.510   30.530  107.233   21.240 -24.72292 37.19136 
1 1 1   18   15   20 o   66.569   22.155   7.5332   4.4701  -3.2860   8.3011   11.952   5.3050   49.778   23.659   82.276   23.640 -32.49810 33.44544 
1 1 1   18   15   21 o   86.033   22.058   12.689   4.9389   5.0430   9.4870   15.531   5.7845   62.054   27.965   93.570   23.808 -31.51580 36.72692 
1 1 1   18   16    0 o   99.628   17.846   14.754   4.4362   2.4410   11.880   16.749   4.7821   66.875   30.589  106.138   18.040 -39.26338 35.51246 
1 1 1   18   16    1 o   43.212   19.653  -1.2904   4.8162 -11.1800   11.246   0.9309   5.3297   52.339   25.522   49.841   21.782 2.497665 33.55324 
1 1 1   18   16    2 o   65.215   27.068   5.5387   7.5157   3.3690   10.196   8.1200   11.122   65.518   29.300   73.924   31.890 -8.406708 43.30661 
1 1 1   18   16    3 o   98.922   21.595   15.402   5.3783  -4.4340   12.428   19.973   5.9659   60.490   28.807  113.516   21.065 -53.02628 35.68692 
1 1 1   18   16    4 o  138.627   12.712   26.684   4.5140   30.380   12.582   26.138   4.8359  118.664   36.963  136.323   13.889 -17.65878 39.48667 
1 1 1   18   16    5 o  234.833   10.163   74.427   6.1819   41.360   14.951   81.245   6.7894  134.717   39.967  244.813   10.707 -110.0954 41.37578 
1 1 1   18   16    6 o  212.719   10.377   61.207   5.7180   47.110   14.089   63.986   6.2563  152.428   36.219  216.503   11.194 -64.07521 37.90984 
1 1 1   18   16    7 o  150.508   11.856   31.219   4.5849   29.890   11.859   31.453   4.9715  119.088   35.655  150.256   12.898 -31.16813 37.91623 
1 1 1   18   16    8 o  119.215   13.658   20.057   4.1416   10.710   11.649   21.410   4.4311   77.268   32.970  122.816   14.190 -45.54887 35.89355 
1 1 1   18   16    9 o   59.033   21.905   5.1039   4.4591   0.1232   9.8728   6.3803   4.9980   59.561   27.478   63.990   23.283 -4.429134 36.01528 
1 1 1   18   16   10 o  100.879   15.747   14.848   3.9803   9.7056   5.5270   20.389   5.7370   75.529   24.611  114.845   20.012 -39.31659 31.72086 
1 1 1   18   16   11 f   91.612   17.270   12.587   3.9480   8.5892   5.5293   16.745   5.6391   71.324   24.629  101.917   22.005 -30.59262 33.02755 
1 1 1   18   16   12 o   59.150   20.523   5.3586   3.8416   2.8625   5.3371   8.0423   5.5339   53.600   22.568   69.235   24.585 -15.63549 33.37211 
1 1 1   18   16   13 o   42.408   18.285   0.7778   3.6530   3.8639   5.0607  -2.5795   5.2785   55.515   22.535   42.180   19.675 13.33500 29.91498 
1 1 1   18   16   14 o   62.533   26.815   5.0383   7.7751   2.1880   10.200   8.9920   12.013   61.563   28.227   72.473   32.144 -10.91030 42.77866 
1 1 1   18   16   15 f   68.139   21.262   7.6065   4.1612  -0.0113   6.9900   11.788   5.1788   51.687   23.573   83.222   23.170 -31.53440 33.05367 
1 1 1   18   16   16 o   85.727   20.326   11.848   4.4451   6.5550   7.7422   14.451   5.4290   64.932   27.252   92.603   22.788 -27.67106 35.52394 
1 1 1   18   16   17 o   81.435   20.923   10.922   4.4371   6.3170   7.8459   13.088   5.3800   64.080   27.192   87.008   23.374 -22.92729 35.85707 
1 1 1   18   16   18 o   45.417   19.647   1.2896   4.2449   9.8550   7.6499  -2.5213   5.1026   71.443   28.134   40.919   19.170 30.52374 34.04445 
1 1 1   18   16   19 o  133.931   15.665   26.703   5.3317   21.040   9.6147   29.217   6.4071   95.340   32.493  136.745   18.568 -41.40461 37.42430 
1 1 1   18   16   20 o   32.500   16.086  -8.7801   5.0330 -10.0600   7.6989  -7.8250   6.6509   40.967   20.205   39.615   19.384 1.351662 27.99977 
1 1 1   18   17    0 o   93.691   19.070   13.478   4.4707   41.370   12.838   9.6286   4.7693  142.652   35.005   76.552   22.536 66.10038 41.63246 
1 1 1   18   17    1 o   36.203   16.799  -2.1618   3.7696   9.6020   11.462  -3.5884   3.9917   74.883   32.339   34.796   16.500 40.08670 36.30484 
1 1 1   18   17    2 o   71.016   20.952   8.0621   4.1183   10.340   10.872   7.6805   4.4500   75.886   32.094   68.948   22.049 6.938667 38.93813 
1 1 1   18   17    3 o   67.425   20.722   7.2165   3.9694  -4.3420   12.114   8.6068   4.2013   58.899   28.157   73.260   21.034 -14.36125 35.14596 
1 1 1   18   17    4 o  127.426   18.374   24.439   5.8895   4.7310   13.110   29.422   6.5921   69.374   31.880  139.611   18.698 -70.23716 36.95889 
1 1 1   18   17    5 o   44.348   19.623   0.1703   4.4512  -5.0930   11.268   1.1435   4.8452   56.425   27.023   48.091   20.897 8.333984 34.15985 
1 1 1   18   17    6 o  132.140   27.598   30.779   9.1416   23.980   12.536   38.500   13.359  100.177   36.809  131.373   37.440 -31.19586 52.50385 
1 1 1   18   17    7 f   52.878   24.606  -1.7062   8.1780  -3.9210   11.445   0.6044   11.690   57.602   27.490   62.566   29.215 -4.964653 40.11519 
1 1 1   18   17    8 o   53.437   24.685  -0.8913   8.0070  -7.4070   10.781   7.1230   11.957   52.987   25.640   70.495   31.613 -17.50840 40.70397 
1 1 1   18   17    9 o   61.682   22.671   5.9431   4.7559   3.7991   5.1400   18.700   12.538   55.459   22.634   88.343   35.606 -32.88425 42.19124 
1 1 1   18   17   10 o   82.706   30.397   13.766   8.5497   9.1860   11.323   19.840   13.040   72.497   31.714   89.235   36.190 -16.73869 48.11965 
1 1 1   18   17   11 o   63.955   27.730   5.4313   8.4955  -3.1190   11.612   15.280   12.462   57.897   27.647   81.581   34.424 -23.68453 44.15199 
1 1 1   18   17   12 o   32.630   15.868  -5.8394   4.2651  -5.2510   11.139  -5.9405   4.6170   54.906   26.443   34.229   16.614 20.67703 31.22916 
1 1 1   18   17   13 o   41.096   18.255   0.0003   3.8884   0.2694   5.5146  -0.2658   5.4836   47.708   21.426   46.584   21.102 1.123344 30.07335 
1 1 1   18   17   14 o   36.080   16.912  -2.5543   3.9811  -6.2622   5.6554   1.0879   5.6050   38.229   18.516   49.467   21.948 -11.23803 28.71520 
1 1 1   18   17   15 o   90.726   20.286   13.334   4.6478   7.3181   6.4797   19.708   6.6703   65.372   25.846  105.774   24.780 -40.40225 35.80532 
1 1 1   18   17   16 o   43.525   19.334   0.3729   4.3620  -2.1960   7.3485   1.7704   5.4201   48.577   22.837   49.986   21.902 -1.408669 31.64191 
1 1 1   18   17   17 f   81.966   22.043   11.551   4.7818   11.010   8.6294   11.790   5.7443   72.652   29.449   79.636   25.003 -6.984459 38.63164 
1 1 1   18   17   18 o   67.985   25.117   8.6229   5.8500   5.8450   8.6245   10.990   7.9614   62.001   27.381   72.406   28.642 -10.40479 39.62373 
1 1 1   18   17   19 o   49.993   22.159   1.9051   5.6995 -12.2700   8.3393   14.330   7.8075   40.870   20.311   80.448   29.126 -39.57732 35.50849 
1 1 1   18   18    0 o  113.183   17.225   19.213   4.8907   27.860   13.302   17.862   5.2590  104.094   37.967  106.888   19.721 -2.793594 42.78318 
1 1 1   18   18    1 o  105.723   17.518   16.870   4.6294   24.710   12.876   15.706   4.9611   98.752   37.108   99.965   19.859 -1.212357 42.08835 
1 1 1   18   18    2 o   57.244   20.977   4.9165   4.0677  -0.0823   10.987   5.7105   4.3788   60.021   28.123   60.469   21.825 -0.4480820 35.59765 
1 1 1   18   18    3 o   69.509   21.645   7.9523   4.3148  -3.4500   12.605   9.4656   4.5922   59.331   28.458   75.396   22.091 -16.06569 36.02609 
1 1 1   18   18    4 o  133.252   14.154   25.445   4.8106   34.480   13.652   24.164   5.1403  117.125   38.705  128.370   15.792 -11.24501 41.80301 
1 1 1   18   18    5 o   82.175   20.231   10.839   4.2776   7.1030   12.979   11.295   4.5308   70.114   32.033   83.300   21.003 -13.18566 38.30480 
1 1 1   18   18    6 o  139.704   13.830   27.874   4.9391   14.010   12.699   30.345   5.3612   79.073   34.094  145.205   14.445 -66.13204 37.02782 
1 1 1   18   18    7 o  116.619   20.202   21.489   5.8815   4.0530   11.357   27.879   6.8754   64.775   29.731  132.483   20.713 -67.70792 36.23511 
1 1 1   18   18    8 o   85.041   20.175   11.634   4.3772   0.7396   6.1982   22.474   6.1825   50.621   22.727  118.425   20.919 -67.80415 30.88881 
1 1 1   18   18    9 o   79.255   20.977   10.336   4.3737   5.7581   6.1867   14.911   6.1839   61.529   24.937   91.205   25.292 -29.67598 35.51829 
1 1 1   18   18   10 o   54.956   20.999   4.3955   4.1652   5.9448   5.8591   2.8126   5.9224   61.592   24.505   53.909   23.263 7.682304 33.78878 
1 1 1   18   18   11 o   63.799   21.572   6.7328   4.2375   5.1218   6.1318   8.2056   5.8628   59.528   24.557   68.099   25.148 -8.570999 35.14899 
1 1 1   18   18   12 o   85.169   20.871   11.970   4.5684   2.7876   6.5509   20.664   6.3741   54.846   24.054  110.411   23.032 -55.56520 33.30301 
1 1 1   18   18   13 o   43.950   19.467   0.5142   4.3916  -4.5450   7.0352   3.7444   5.6214   44.762   21.415   54.985   23.157 -10.22330 31.54072 
1 1 1   18   18   14 o   52.408   21.697   3.4230   4.8107  -0.5778   7.5635   6.1413   6.2344   51.040   23.721   61.460   24.988 -10.41950 34.45420 
1 1 1   18   18   15 o  102.930   23.340   18.505   6.0796   6.1950   8.7529   29.980   8.4507   62.946   27.700  127.377   26.476 -64.43176 38.31865 
1 1 1   18   18   16 o  102.664   23.600   18.683   6.1445   4.2060   8.6455   33.460   8.7344   59.144   26.671  134.995   25.921 -75.85033 37.19181 
1 1 1   18   18   17 o  165.634   13.951   40.134   5.9299   14.340   10.258   53.080   7.2672   75.588   31.519  188.987   14.968 -113.3989 34.89261 
1 1 1   18   18   18 o   34.939   16.837  -4.4111   4.5318 -17.5500   8.1439   1.4824   5.4543   36.727   18.507   48.109   21.479 -11.38287 28.35226 
1 1 1   18   19    0 f  110.354   20.920   19.740   5.7612 -34.3900   13.468   31.865   6.3739   43.396   22.076  145.086   17.301 -101.6900 28.04749 
1 1 1   18   19    1 o  106.285   22.499   18.918   6.0013   0.0000   0.0000   18.918   6.0013  ?   ?   106.285   22.499 0.000000 22.49935 
1 1 1   18   19    2 o   76.090   24.591   10.414   5.5240   0.0000   0.0000   10.414   5.5240  ?   ?    76.090   24.591 0.000000 24.59051 
1 1 1   18   19    3 o   59.192   23.122   5.4038   5.1313   0.0000   0.0000   5.4038   5.1313  ?   ?    59.192   23.122 0.000000 23.12190 
1 1 1   18   19    4 o  136.130   16.298   27.653   5.6328   0.0000   0.0000   27.653   5.6328  ?   ?   136.130   16.298 0.000000 16.29819 
1 1 1   18   19    5 o   63.852   22.634   6.8455   4.6887   0.0000   0.0000   6.8455   4.6887  ?   ?    63.852   22.634 0.000000 22.63404 
1 1 1   18   19    6 o  104.085   19.677   17.260   5.1107   0.0000   0.0000   17.260   5.1107  ?   ?   104.085   19.677 0.000000 19.67699 
1 1 1   18   19    7 o   72.441   26.480   9.9075   6.4759   0.0000   0.0000   9.9075   6.4759  ?   ?    72.441   26.480 0.000000 26.48013 
1 1 1   18   19    8 o   40.126   18.811  -2.5309   4.9270   2.7450   7.4085  -6.7150   6.5975   56.133   25.049   40.933   19.866 15.20041 31.97041 
1 1 1   18   19    9 o   67.336   23.794   8.0152   5.1777   5.0830   7.6533   10.490   7.0310   60.577   26.292   73.139   27.434 -12.56249 37.99849 
1 1 1   18   19   10 o   85.580   24.381   13.284   5.6662   4.1140   8.1632   21.810   7.8711   59.258   26.379  105.516   28.241 -46.25838 38.64453 
1 1 1   18   19   11 o   70.662   23.181   8.9008   4.9002   9.3910   6.5911   8.2950   7.3271   69.962   26.491   66.756   27.109 3.206253 37.90382 
1 1 1   18   19   12 o   34.869   16.736  -4.2227   4.3756  -7.8884   5.9855  -0.0150   6.4128   37.217   18.248   48.688   22.345 -11.47064 28.84946 
1 1 1   18   19   13 o   46.502   20.128   1.6970   4.4608  -3.0237   6.3670   6.2482   6.2516   43.970   20.847   60.928   24.925 -16.95804 32.49372 
1 1 1   18   19   14 o   42.950   19.163   0.4542   4.3343  -0.2437   6.3804   1.0522   5.9062   47.793   22.063   48.799   22.022 -1.006008 31.17233 
1 1 1   18   19   15 o   39.806   18.448  -1.3584   4.5260 -12.5057   6.6332   8.3526   6.1912   35.266   17.619   65.732   25.475 -30.46665 30.97406 
1 1 1   18   19   16 o   44.333   19.739   0.9095   4.5734  -1.6238   6.4369   3.4918   6.4990   45.331   21.330   53.884   23.783 -8.553181 31.94731 
1 1 1   18   19   17 o   74.830   23.501   10.714   5.0742   5.4930   9.2424   12.967   6.0710   59.245   27.054   79.407   25.790 -20.16275 37.37680 
1 1 1   18   20    0 o  105.187   20.410   18.116   5.3605   10.010   12.837   19.828   5.8995   69.709   31.852  108.663   21.719 -38.95415 38.55198 
1 1 1   18   20    1 o  180.352   16.273   48.936   7.5202   40.560   14.215   52.192   8.8619  119.309   39.498  181.658   19.120 -62.34908 43.88260 
1 1 1   18   20    2 o  158.443   14.309   36.636   5.8091   15.390   13.307   41.639   6.4569   76.371   33.854  168.066   14.989 -91.69516 37.02383 
1 1 1   18   20    3 o   79.999   22.232   11.137   4.7726   7.1440   12.182   11.861   5.1872   66.230   30.543   81.438   23.369 -15.20859 38.45768 
1 1 1   18   20    4 f  206.747   12.186   60.403   6.4973   43.780   14.737   64.414   7.2389  123.110   40.191  211.921   13.254 -88.81127 42.31968 
1 1 1   18   20    5 o  135.328   15.216   27.194   5.2413   9.2690   13.103   30.608   5.7187   68.713   31.684  143.068   15.689 -74.35505 35.35579 
1 1 1   18   20    6 f   88.207   24.647   14.343   5.8492   2.1660   11.894   18.228   6.7176   60.444   28.610   98.333   25.983 -37.88819 38.64737 
1 1 1   18   20    7 o   82.080   22.627   11.891   4.9658   14.193   7.1476   9.7427   6.9042   82.718   28.017   70.110   26.977 12.60812 38.89353 
1 1 1   18   20    8 o  107.600   19.147   18.596   5.1411   11.166   7.1344   26.621   7.4149   73.541   27.625  122.343   24.255 -48.80220 36.76164 
1 1 1   18   20    9 o  114.028   18.174   20.517   5.1879   5.8973   7.2421   35.928   7.4352   60.554   25.921  148.945   19.759 -88.39114 32.59321 
1 1 1   18   20   10 o  108.083   18.659   18.690   5.0350   3.9928   6.8756   35.686   7.3937   56.157   24.636  148.187   19.754 -92.02956 31.57748 
1 1 1   18   20   11 o   44.366   19.675   0.8937   4.4996   4.2589   6.3506  -2.4987   6.3762   55.775   24.079   44.325   20.970 11.45067 31.93031 
1 1 1   18   20   12 o   52.307   21.535   3.8690   4.7036   9.4333   6.6315  -1.7642   6.6725   68.098   26.373   45.950   21.650 22.14808 34.12133 
1 1 1   18   20   13 o   68.944   23.152   8.9142   4.8808   11.024   6.8173   6.6957   6.9909   71.775   26.996   60.820   25.730 10.95478 37.29339 
1 1 1   18   20   14 o   95.164   21.896   16.047   5.2852   12.992   7.4961   19.067   7.4530   75.096   28.295   93.668   28.316 -18.57178 40.03025 
1 1 1   18   20   15 o   68.775   23.657   9.2588   5.0991   2.7936   7.3540   15.245   7.0763   52.994   24.173   82.262   27.876 -29.26799 36.89760 
1 1 1   18   20   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21    0 o  155.022   15.374   36.137   6.0920   11.330   13.734   42.214   6.7973   68.765   31.961  166.782   15.928 -98.01739 35.70992 
1 1 1   18   21    1 o   96.413   21.915   16.143   5.3491   28.560   13.365   13.775   5.8370   93.656   37.090   84.827   24.920 8.828552 44.68395 
1 1 1   18   21    2 o   51.534   21.556   3.4611   4.8185   10.240   12.425   2.2610   5.2277   67.758   31.099   49.412   21.584 18.34556 37.85550 
1 1 1   18   21    3 o  126.332   17.604   25.053   5.6041   23.250   13.380   25.436   6.1715   84.438   35.652  124.604   19.782 -40.16546 40.77247 
1 1 1   18   21    4 o   85.886   22.865   13.300   5.1771   17.150   12.929   12.565   5.6498   76.059   33.560   80.962   24.694 -4.902298 41.66569 
1 1 1   18   21    5 o   55.877   23.914   4.4938   6.1623   2.2650   12.155   5.2648   7.1491   59.202   28.275   58.463   25.393 0.7391129 38.00372 
1 1 1   18   21    6 o   64.412   23.565   7.6869   5.1303   4.7859   7.4392   10.318   7.0844   57.700   25.458   69.912   27.207 -12.21172 37.26053 
1 1 1   18   21    7 o  105.138   20.663   18.675   5.4268   15.723   7.7711   21.484   7.5818   83.046   29.169  102.190   27.872 -19.14397 40.34421 
1 1 1   18   21    8 o  102.319   20.708   17.785   5.3001   13.150   7.4482   22.540   7.5436   76.381   28.317  105.582   27.360 -29.20041 39.37529 
1 1 1   18   21    9 o   89.986   22.811   14.729   5.3243   14.833   7.4072   14.619   7.6584   80.962   28.475   79.519   28.838 1.442703 40.52732 
1 1 1   18   21   10 o   90.974   22.482   14.978   5.2673   10.257   7.3108   20.074   7.5954   68.311   27.310   96.079   28.482 -27.76842 39.45953 
1 1 1   18   21   11 o   62.198   23.315   7.3277   5.0767  -2.2196   7.0156   17.823   7.3556   45.500   21.661   89.433   28.321 -43.93396 35.65493 
1 1 1   18   21   12 o   75.875   24.081   11.420   5.3159   15.625   7.5048   7.1852   7.5308   81.252   28.653   60.554   26.181 20.69762 38.81350 
1 1 1   18   21   13 o   36.378   17.474  -3.6834   4.7905  -0.6508   6.8555  -6.5772   6.6968   46.590   21.950   39.518   19.361 7.072617 29.26857 
1 1 1   18   21   14 o   62.288   23.649   7.8076   5.2616   14.508   7.3788   0.8761   7.5048   76.863   28.240   49.451   23.193 27.41143 36.54364 
1 1 1   18   22    0 o  127.862   23.151   29.558   7.3852   38.170   14.897   26.752   8.5037   99.045   39.179  110.914   29.199 -11.86908 48.86246 
1 1 1   18   22    1 o   44.854   20.236   0.7978   4.9830   5.4550   12.390  -0.1009   5.4426   60.433   28.775   44.458   20.471 15.97515 35.31352 
1 1 1   18   22    2 o   65.195   23.785   8.2789   5.2208 -14.2900   12.524   13.026   5.7437   47.282   23.708   80.573   24.954 -33.29066 34.42023 
1 1 1   18   22    3 o   83.802   23.744   13.447   5.3892   28.080   13.310   10.577   5.8940   88.121   36.246   71.392   25.370 16.72845 44.24223 
1 1 1   18   22    4 o  104.150   26.210   21.725   7.0654   22.350   14.621   21.535   8.0701   76.595   34.599   97.062   29.492 -20.46738 45.46324 
1 1 1   18   22    5 o   42.861   19.762  -0.3688   5.0959  -5.9731   7.0656   5.7064   7.3565   41.436   20.211   57.869   25.432 -16.43300 32.48529 
1 1 1   18   22    6 o   78.960   24.778   12.600   5.6422   7.8306   8.0701   17.160   7.8915   61.757   26.901   84.164   29.403 -22.40692 39.85253 
1 1 1   18   22    7 o   41.610   19.351  -0.9115   5.0457  -0.5559   7.2876  -1.2389   6.9929   47.799   22.554   46.303   21.922 1.496109 31.45237 
1 1 1   18   22    8 o   90.792   23.003   15.489   5.4162   10.637   7.6311   20.414   7.6884   67.238   27.526   94.389   28.810 -27.15108 39.84610 
1 1 1   18   22    9 o   54.864   22.654   5.1981   5.2247   2.8290   7.0400   8.1028   7.7953   51.808   23.640   61.450   26.603 -9.642338 35.58865 
1 1 1   18   22   10 o   55.690   22.672   5.6036   5.1410   9.4383   7.0539   1.2589   7.5083   64.374   26.422   49.905   23.340 14.46918 35.25418 
1 1 1   18   22   11 o   71.875   24.069   10.737   5.2747   1.8724   7.3471   20.166   7.5774   50.190   23.344   92.246   28.677 -42.05632 36.97703 
1 1 1   18   22   12 o   53.413   22.380   5.0015   5.2072   3.7150   7.3617   6.2897   7.3664   52.507   24.040   56.774   25.177 -4.266899 34.81107 
1 1 1   18   23    0 o   49.137   22.512   2.0211   6.4706   11.100   14.219  -0.3500   7.2666   62.566   30.067   47.161   22.334 15.40510 37.45420 
1 1 1   18   23    1 o   47.686   22.059   1.1444   6.4273   1.0090   13.967   1.1808   7.2393   55.530   27.354   49.123   22.956 6.406796 35.71028 
1 1 1   18   23    2 o   52.889   23.857   3.9232   6.9231   9.4410   12.853   1.6681   8.2169   61.398   29.255   51.119   24.068 10.27917 37.88280 
1 1 1   18   23    3 o  106.038   26.148   23.342   7.1370   33.080   14.023   19.937   8.2911   87.767   36.747   87.303   30.159 0.4636002 47.53819 
1 1 1   18   23    4 o  116.747   25.878   27.759   7.6204   38.390   15.189   24.183   8.8093   90.547   38.095   96.218   31.049 -5.671165 49.14570 
1 1 1   18   23    5 o   57.883   23.583   6.6293   5.5678   14.259   8.3202   0.4413   7.4929   72.120   29.027   48.322   22.821 23.79801 36.92427 
1 1 1   18   23    6 o  100.222   23.335   19.387   5.9447   10.134   8.3846   28.739   8.4296   63.316   27.500  112.357   28.823 -49.04075 39.83776 
1 1 1   18   23    7 o   42.047   19.626  -0.4895   5.2668  -3.4460   7.2801   2.7569   7.6287   43.235   20.957   51.197   23.804 -7.962009 31.71481 
1 1 1   18   23    8 o  153.837   16.200   37.917   6.3585   32.975   8.8292   43.243   9.1647  120.665   28.672  147.228   24.921 -26.56263 37.98806 
1 1 1   18   23    9 o   70.013   24.867   11.048   5.6623   13.601   7.7417   8.1124   8.3032   70.443   28.124   58.788   26.355 11.65469 38.54242 
1 1 1   18   24    0 o   50.047   22.195   3.9120   5.7260 -11.4600   13.157   7.5039   6.3599   46.240   23.329   57.786   24.499 -11.54588 33.82999 
1 1 1   18   24    1 o   50.704   22.168   4.2950   5.5258 -17.5800   14.366   8.0937   5.9864   45.253   22.998   59.606   24.388 -14.35390 33.52177 
1 1 1   18   24    2 o   50.763   22.000   4.3857   5.3426 -21.5300   13.150   9.5089   5.8469   42.406   21.595   63.702   24.737 -21.29633 32.83741 
1 1 1   18   24    3 o   42.062   20.205  -1.9571   6.4051 -10.4100   12.921   0.7968   7.3750   46.350   23.351   47.134   22.372 -0.7833023 32.33897 
1 1 1   18   24    4 o   37.752   19.096 -16.1288   9.1513 -20.3800   13.495 -12.5100   12.451   43.105   21.944   44.789   22.609 -1.683647 31.50748 
1 1 1   18   24    5 o   47.245   23.240  -2.3912   9.9600  -5.1360   14.023   0.4036   14.149   49.438   24.830   52.177   26.015 -2.738869 35.96202 
1 1 1   18   24    6 o   61.526   27.926   11.901   9.6608   18.290   13.649   5.4870   13.676   63.997   30.394   54.565   26.915 9.431793 40.59851 
1 1 1   19    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   15 o  200.903   11.450   54.586   5.9145   54.586   5.9145   54.586   5.9145  200.903   11.450  200.903   11.450 0.000000 0.000000 
1 1 1   19    0   16 o   27.663   18.045   0.1730   3.1539   0.1730   3.1539   0.1730   3.1539   27.663   18.045   27.663   18.045 0.000000 0.000000 
1 1 1   19    0   17 o   71.677   25.763   9.8997   4.3771   9.8997   4.3771   9.8997   4.3771   71.677   25.763   71.677   25.763 0.000000 0.000000 
1 1 1   19    0   18 o   38.253   23.051   2.8642   4.1538   2.8642   4.1538   2.8642   4.1538   38.253   23.051   38.253   23.051 0.000000 0.000000 
1 1 1   19    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   20 o   28.648   19.563  -1.4688   4.5338  -1.4688   4.5338  -1.4688   4.5338   28.648   19.563   28.648   19.563 0.000000 0.000000 
1 1 1   19    0   21 o   58.016   29.181   8.4879   5.4024   8.4879   5.4024   8.4879   5.4024   58.016   29.181   58.016   29.181 0.000000 0.000000 
1 1 1   19    0   22 o   33.126   22.156   0.1850   5.2554   0.1850   5.2554   0.1850   5.2554   33.126   22.156   33.126   22.156 0.000000 0.000000 
1 1 1   19    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   24 o   82.517   32.463   16.143   6.6581   16.143   6.6581   16.143   6.6581   82.517   32.463   82.517   32.463 0.000000 0.000000 
1 1 1   19    1    0 o  272.096   11.765   99.118   8.2918   73.780   11.982  122.400   11.486  226.566   20.644  299.534   14.804 -72.96892 25.40332 
1 1 1   19    1    1 o   97.770   14.281   13.221   3.5100   16.760   5.5994   10.930   4.5049  106.791   20.991   86.046   20.503 20.74476 29.34258 
1 1 1   19    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   13 o   77.062   20.227   8.9570   4.0888   0.0000   0.0000   8.9570   4.0888  ?   ?    77.062   20.227 0.000000 20.22742 
1 1 1   19    1   14 o  116.911   13.754   18.964   4.0857   0.0000   0.0000   18.964   4.0857  ?   ?   116.911   13.754 0.000000 13.75440 
1 1 1   19    1   15 o   65.080   19.976   6.3335   3.6900   0.0000   0.0000   6.3335   3.6900  ?   ?    65.080   19.976 0.000000 19.97551 
1 1 1   19    1   16 o  135.498   9.3689   24.587   3.2681   21.297   4.2576   29.306   5.0990  123.901   13.484  145.374   13.703 -21.47360 19.22420 
1 1 1   19    1   17 o   86.569   13.677   10.535   2.9650   8.3142   3.8808   13.648   4.5955   73.856   19.856   95.466   19.248 -21.61049 27.65449 
1 1 1   19    1   18 o   42.475   18.334   0.4652   3.6805   0.4652   3.6805   0.0000   0.0000   42.475   18.334  ?   ?  0.000000 18.33404 
1 1 1   19    1   19 o   68.935   18.267   7.1588   3.3141   5.6662   4.5272   8.8823   4.8647   62.058   22.215   74.599   22.942 -12.54128 31.93505 
1 1 1   19    1   20 o   42.492   19.419  -1.6130   4.7733   0.0000   0.0000  -1.6130   4.7733  ?   ?    42.492   19.419 0.000000 19.41855 
1 1 1   19    1   21 o  119.026   20.279   21.689   6.0282   21.689   6.0282   0.0000   0.0000  119.026   20.279  ?   ?  0.000000 20.27923 
1 1 1   19    1   22 o   50.343   19.843   2.9832   3.8085   8.8578   5.2569  -3.5061   5.5251   73.084   24.012   42.148   19.810 30.93604 31.12886 
1 1 1   19    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   24 o   92.031   19.209   13.194   4.4313   19.018   6.1584   6.9413   6.3810  107.425   22.835   65.630   25.743 41.79495 34.41134 
1 1 1   19    2    0 o  114.937   16.004   18.459   4.6355   13.870   7.6070   21.170   5.8463   92.915   28.708  121.368   19.238 -28.45247 34.55781 
1 1 1   19    2    1 o  146.576   13.603   29.301   5.1060   17.270   7.8406   38.160   6.7283  103.670   28.372  165.999   15.840 -62.32963 32.49399 
1 1 1   19    2    2 o  120.162   13.973   19.819   4.2679   12.820   6.5884   24.880   5.6023   90.392   26.453  133.357   16.576 -42.96455 31.21740 
1 1 1   19    2    3 o   37.773   14.866   1.2429   2.1347   0.0000   0.0000   1.2429   2.1347  ?   ?    37.773   14.866 0.000000 14.86607 
1 1 1   19    2    4 o  126.709   11.391   21.621   3.6989   0.0000   0.0000   21.621   3.6989  ?   ?   126.709   11.391 0.000000 11.39148 
1 1 1   19    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   11 o  134.928   12.046   24.737   4.1658   0.0000   0.0000   24.737   4.1658  ?   ?   134.928   12.046 0.000000 12.04568 
1 1 1   19    2   12 o  240.121   11.356   77.551   7.0633   0.0000   0.0000   77.551   7.0633  ?   ?   240.121   11.356 0.000000 11.35605 
1 1 1   19    2   13 o  180.044   12.318   44.120   5.7100   0.0000   0.0000   44.120   5.7100  ?   ?   180.044   12.318 0.000000 12.31764 
1 1 1   19    2   14 o  103.981   17.005   15.571   4.4219   0.0000   0.0000   15.571   4.4219  ?   ?   103.981   17.005 0.000000 17.00520 
1 1 1   19    2   15 o   86.506   20.171   11.333   4.4366   0.0000   0.0000   11.333   4.4366  ?   ?    86.506   20.171 0.000000 20.17098 
1 1 1   19    2   16 o   58.826   21.476   4.7798   4.2578   0.0000   0.0000   4.7798   4.2578  ?   ?    58.826   21.476 0.000000 21.47642 
1 1 1   19    2   17 o   26.138   12.493  -2.9194   2.3824  -2.9194   2.3824   0.0000   0.0000   26.138   12.493  ?   ?  0.000000 12.49283 
1 1 1   19    2   18 o  105.516   12.726   15.439   3.4081   14.227   4.3784   17.303   5.4286   98.238   17.864  106.724   20.380 -8.486000 27.10144 
1 1 1   19    2   19 o  101.298   14.433   14.535   3.6801   12.241   4.8278   17.717   5.6857   88.529   21.309  107.113   21.242 -18.58356 30.08881 
1 1 1   19    2   20 o  101.896   14.900   14.824   3.8165   19.158   5.0554   9.0817   5.8197  114.036   17.687   74.223   25.280 39.81352 30.85299 
1 1 1   19    2   21 o   58.069   19.738   5.0016   3.5478  -3.6045   4.7143   16.241   5.3874   38.571   18.181  101.960   21.094 -63.38940 27.84837 
1 1 1   19    2   22 o  166.199   11.596   37.979   4.9608   34.163   6.8480   42.192   7.1961  151.910   17.737  170.313   16.519 -18.40282 24.23840 
1 1 1   19    2   23 o   69.352   20.812   7.7024   4.0371   6.8467   5.5486   8.6651   5.8850   65.457   24.406   71.349   25.351 -5.892113 35.18967 
1 1 1   19    2   24 o   89.089   21.029   12.819   4.7749   12.242   6.3942   13.546   7.1793   81.997   26.452   84.561   28.074 -2.563431 38.57277 
1 1 1   19    3    0 o   53.320   22.406   1.7210   5.2442   0.0000   0.0000   1.7210   5.2442  ?   ?    53.320   22.406 0.000000 22.40602 
1 1 1   19    3    1 o  108.399   17.577   16.704   4.7665   14.820   7.5353   17.960   6.1541   95.953   28.350  109.624   22.428 -13.67083 36.14929 
1 1 1   19    3    2 o  182.914   13.014   45.362   6.1257   34.880   8.9195   54.720   8.4274  153.082   23.223  198.317   16.557 -45.23531 28.52063 
1 1 1   19    3    3 o  135.478   14.575   25.277   5.0343   16.680   7.4199   32.610   6.8531  102.274   27.439  152.001   17.739 -49.72695 32.67370 
1 1 1   19    3    4 o   75.699   17.350   8.2628   3.3293   0.0000   0.0000   8.2628   3.3293  ?   ?    75.699   17.350 0.000000 17.35011 
1 1 1   19    3    5 o   88.548   16.008   11.089   3.5365   0.0000   0.0000   11.089   3.5365  ?   ?    88.548   16.008 0.000000 16.00757 
1 1 1   19    3    6 o  102.979   14.676   14.739   3.8040   0.0000   0.0000   14.739   3.8040  ?   ?   102.979   14.676 0.000000 14.67613 
1 1 1   19    3    7 o   52.592   17.770   3.7407   2.8754   0.0000   0.0000   3.7407   2.8754  ?   ?    52.592   17.770 0.000000 17.77009 
1 1 1   19    3    8 o   74.734   17.194   8.0808   3.2593   0.0000   0.0000   8.0808   3.2593  ?   ?    74.734   17.194 0.000000 17.19405 
1 1 1   19    3    9 o  122.599   13.767   20.703   4.2965   0.0000   0.0000   20.703   4.2965  ?   ?   122.599   13.767 0.000000 13.76742 
1 1 1   19    3   10 o  118.377   13.919   19.366   4.1866   0.0000   0.0000   19.366   4.1866  ?   ?   118.377   13.919 0.000000 13.91949 
1 1 1   19    3   11 o  135.581   13.863   25.365   4.8002   0.0000   0.0000   25.365   4.8002  ?   ?   135.581   13.863 0.000000 13.86327 
1 1 1   19    3   12 f   67.903   20.060   6.8864   3.7729   0.0000   0.0000   6.8864   3.7729  ?   ?    67.903   20.060 0.000000 20.06007 
1 1 1   19    3   13 o  129.130   15.278   23.415   5.0111   0.0000   0.0000   23.415   5.0111  ?   ?   129.130   15.278 0.000000 15.27771 
1 1 1   19    3   14 o  142.089   15.020   28.288   5.4442   0.0000   0.0000   28.288   5.4442  ?   ?   142.089   15.020 0.000000 15.01954 
1 1 1   19    3   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   17 o  192.033   14.288   51.434   7.0563   0.0000   0.0000   51.434   7.0563  ?   ?   192.033   14.288 0.000000 14.28801 
1 1 1   19    3   18 o   63.086   17.249   5.9104   2.8997   4.3444   3.5038   9.3140   5.1654   55.566   19.580   76.081   23.681 -20.51498 30.72751 
1 1 1   19    3   19 o   28.369   13.545  -3.2355   2.7845  -2.8675   3.3086  -4.1291   5.1555   32.475   15.284   39.998   18.902 -7.522934 24.30869 
1 1 1   19    3   20 o   49.370   18.765   3.0178   3.3150   5.6123   4.2021  -1.2579   5.3945   61.247   21.453   45.668   20.782 15.57853 29.86818 
1 1 1   19    3   21 o   68.784   25.025   7.6082   5.7742   0.0000   0.0000   7.6082   5.7742  ?   ?    68.784   25.025 0.000000 25.02549 
1 1 1   19    3   22 o   96.246   17.621   13.874   4.2311   5.0485   5.5023   26.644   6.6184   60.276   23.821  131.703   20.032 -71.42696 31.12414 
1 1 1   19    3   23 o   78.471   20.515   9.8447   4.2168   5.9409   5.6751   14.657   6.3006   62.638   24.358   91.473   25.588 -28.83506 35.32809 
1 1 1   19    4    0 o   65.193   27.176   3.8590   7.6226   3.8590   7.6226   0.0000   0.0000   65.193   27.176  ?   ?  0.000000 27.17647 
1 1 1   19    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4    2 o   58.572   23.753   3.2910   5.6167   0.0000   0.0000   3.2910   5.6167  ?   ?    58.572   23.753 0.000000 23.75264 
1 1 1   19    4    3 o   99.494   18.694   14.311   4.6409   10.520   6.6545   17.900   6.4756   82.133   27.017  108.414   23.719 -26.28120 35.95115 
1 1 1   19    4    4 o  146.866   14.755   29.751   5.5373   18.370   8.0118   40.160   7.6617  106.381   28.500  168.591   17.814 -62.21002 33.60978 
1 1 1   19    4    5 f   94.478   17.077   12.739   4.0254   0.0000   0.0000   12.739   4.0254  ?   ?    94.478   17.077 0.000000 17.07726 
1 1 1   19    4    6 o  158.785   13.406   34.421   5.4622   0.0000   0.0000   34.421   5.4622  ?   ?   158.785   13.406 0.000000 13.40563 
1 1 1   19    4    7 o  107.076   16.065   16.157   4.3182   0.0000   0.0000   16.157   4.3182  ?   ?   107.076   16.065 0.000000 16.06456 
1 1 1   19    4    8 o   77.741   19.481   8.9558   3.9151   0.0000   0.0000   8.9558   3.9151  ?   ?    77.741   19.481 0.000000 19.48128 
1 1 1   19    4    9 o  101.816   16.863   14.796   4.2916   0.0000   0.0000   14.796   4.2916  ?   ?   101.816   16.863 0.000000 16.86256 
1 1 1   19    4   10 o   47.310   19.223   1.8628   3.6866   0.0000   0.0000   1.8628   3.6866  ?   ?    47.310   19.223 0.000000 19.22280 
1 1 1   19    4   11 o   53.024   20.023   3.4155   3.7586   0.0000   0.0000   3.4155   3.7586  ?   ?    53.024   20.023 0.000000 20.02254 
1 1 1   19    4   12 o  111.130   17.121   17.730   4.7702   0.0000   0.0000   17.730   4.7702  ?   ?   111.130   17.121 0.000000 17.12123 
1 1 1   19    4   13 o   73.112   21.667   8.2009   4.3960   0.0000   0.0000   8.2009   4.3960  ?   ?    73.112   21.667 0.000000 21.66713 
1 1 1   19    4   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   15 o   76.178   23.167   9.1595   4.9781   0.0000   0.0000   9.1595   4.9781  ?   ?    76.178   23.167 0.000000 23.16703 
1 1 1   19    4   16 o   91.486   22.851   13.238   5.3992   0.0000   0.0000   13.238   5.3992  ?   ?    91.486   22.851 0.000000 22.85094 
1 1 1   19    4   17 o  113.892   20.983   19.811   5.9623   0.0000   0.0000   19.811   5.9623  ?   ?   113.892   20.983 0.000000 20.98313 
1 1 1   19    4   18 o  127.426   10.566   22.033   3.4561   15.543   4.1125   37.639   6.3769  104.005   15.759  163.007   15.281 -59.00146 21.95104 
1 1 1   19    4   19 o  100.186   14.024   14.185   3.5397   10.647   4.3584   21.042   6.0671   82.805   20.443  117.144   20.754 -34.33916 29.13155 
1 1 1   19    4   20 f  151.766   14.870   32.696   5.7705   32.696   5.7705   0.0000   0.0000  151.766   14.870  ?   ?  0.000000 14.86986 
1 1 1   19    4   21 o   59.745   24.266   4.5562   5.8719   0.0000   0.0000   4.5562   5.8719  ?   ?    59.745   24.266 0.000000 24.26600 
1 1 1   19    4   22 o  156.644   18.695   36.954   7.4357   0.0000   0.0000   36.954   7.4357  ?   ?   156.644   18.695 0.000000 18.69498 
1 1 1   19    4   23 o   62.661   21.310   6.2208   4.1354   9.6210   5.4336   1.5400   6.3752   74.770   24.404   53.211   23.518 21.55883 33.89170 
1 1 1   19    5    0 o   51.060   21.805   1.0953   5.1027  -4.3710   7.6571   5.4620   6.8437   50.909   23.729   67.127   26.555 -16.21762 35.61226 
1 1 1   19    5    1 o  113.417   20.676   18.915   5.8505   12.300   8.4415   25.030   8.1159   87.133   30.412  127.165   25.526 -40.03206 39.70495 
1 1 1   19    5    2 o   95.348   22.013   13.689   5.3266   14.870   8.0045   12.750   7.1359   95.036   29.462   89.094   27.851 5.941826 40.54255 
1 1 1   19    5    3 o   80.412   28.348   10.030   7.3451   10.030   7.3451   0.0000   0.0000   80.412   28.348  ?   ?  0.000000 28.34802 
1 1 1   19    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5    6 o  141.738   14.799   27.819   5.3534   0.0000   0.0000   27.819   5.3534  ?   ?   141.738   14.799 0.000000 14.79940 
1 1 1   19    5    7 o  116.105   16.962   19.150   4.9507   0.0000   0.0000   19.150   4.9507  ?   ?   116.105   16.962 0.000000 16.96171 
1 1 1   19    5    8 o  106.382   18.030   16.331   4.7908   0.0000   0.0000   16.331   4.7908  ?   ?   106.382   18.030 0.000000 18.02957 
1 1 1   19    5    9 o   22.942   11.523  -8.5812   3.0226   0.0000   0.0000  -8.5812   3.0226  ?   ?    22.942   11.523 0.000000 11.52316 
1 1 1   19    5   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   12 o   29.175   14.712 -15.2700   5.1981   0.0000   0.0000 -15.2700   5.1981  ?   ?    29.175   14.712 0.000000 14.71236 
1 1 1   19    5   13 o   42.043   18.908  -1.0237   4.3109   0.0000   0.0000  -1.0237   4.3109  ?   ?    42.043   18.908 0.000000 18.90803 
1 1 1   19    5   14 o   73.669   23.410   8.5243   5.0225   0.0000   0.0000   8.5243   5.0225  ?   ?    73.669   23.410 0.000000 23.41018 
1 1 1   19    5   15 o  131.873   18.365   25.460   6.1031   0.0000   0.0000   25.460   6.1031  ?   ?   131.873   18.365 0.000000 18.36514 
1 1 1   19    5   16 o  131.151   19.047   25.473   6.2814   0.0000   0.0000   25.473   6.2814  ?   ?   131.151   19.047 0.000000 19.04685 
1 1 1   19    5   17 f   56.224   22.890   3.4476   5.2405   0.0000   0.0000   3.4476   5.2405  ?   ?    56.224   22.890 0.000000 22.89016 
1 1 1   19    5   18 o   62.128   15.441   5.6471   2.4741   4.2718   2.7605   11.262   5.5778   54.247   17.368   82.664   24.382 -28.41726 29.93578 
1 1 1   19    5   19 o   66.815   17.724   6.7261   3.1179   2.7369   3.6709   17.057   5.9073   49.351   19.472  103.433   22.674 -54.08214 29.88737 
1 1 1   19    5   20 o   62.806   19.432   6.0428   3.4839  -0.9510   4.2268   20.862   6.1527   41.168   18.599  115.594   21.334 -74.42652 28.30316 
1 1 1   19    5   21 o  128.467   12.984   23.103   4.2614   19.801   5.3907   28.604   6.9577  114.352   18.857  136.263   20.335 -21.91150 27.73217 
1 1 1   19    5   22 o   50.142   19.726   3.0508   3.7570   2.0297   4.7551   4.7474   6.1293   49.943   21.179   60.063   24.638 -10.12054 32.49012 
1 1 1   19    5   23 o   54.572   21.060   4.1160   4.2173   4.3100   5.5217   3.8445   6.5334   57.444   23.454   58.116   24.742 -0.6715469 34.09159 
1 1 1   19    6    0 o   59.398   23.610   3.8584   5.4342  -6.4120   7.8136   13.480   7.5627   48.745   23.106   90.784   28.713 -42.03849 36.85564 
1 1 1   19    6    1 o  128.936   19.778   24.174   6.3946   17.520   8.9511   31.110   9.1384  101.474   31.106  141.457   25.894 -39.98329 40.47342 
1 1 1   19    6    2 o  115.927   20.707   19.819   5.9899   17.500   8.6767   21.930   8.2791  101.825   30.501  116.627   27.799 -14.80231 41.26817 
1 1 1   19    6    3 o  179.592   15.239   44.680   7.0223   27.930   9.9549   61.270   9.9072  129.772   30.184  207.252   18.654 -77.48062 35.48353 
1 1 1   19    6    4 o   96.583   22.620   14.219   5.5596   13.010   7.5887   15.620   8.1683   89.100   28.825   96.637   29.730 -7.536736 41.40953 
1 1 1   19    6    5 o  106.573   20.777   16.871   5.5295   13.430   7.7548   20.430   7.8866   90.153   29.136  112.565   27.324 -22.41196 39.94341 
1 1 1   19    6    6 o   84.219   22.889   10.924   5.1238   7.1070   7.3053   14.620   7.1885   71.609   27.695   94.580   27.618 -22.97150 39.11221 
1 1 1   19    6    7 o  134.739   16.263   25.585   5.5614   0.0000   0.0000   25.585   5.5614  ?   ?   134.739   16.263 0.000000 16.26339 
1 1 1   19    6    8 o   96.906   20.882   14.112   5.0871   0.0000   0.0000   14.112   5.0871  ?   ?    96.906   20.882 0.000000 20.88190 
1 1 1   19    6    9 o   34.856   16.509  -3.9063   3.9733   0.0000   0.0000  -3.9063   3.9733  ?   ?    34.856   16.509 0.000000 16.50902 
1 1 1   19    6   10 o   81.278   23.078   10.317   5.0854   0.0000   0.0000   10.317   5.0854  ?   ?    81.278   23.078 0.000000 23.07769 
1 1 1   19    6   11 o   80.630   22.964   10.179   5.0274   0.0000   0.0000   10.179   5.0274  ?   ?    80.630   22.964 0.000000 22.96360 
1 1 1   19    6   12 o  110.744   20.220   18.361   5.5866   0.0000   0.0000   18.361   5.5866  ?   ?   110.744   20.220 0.000000 20.22007 
1 1 1   19    6   13 o   32.735   15.926  -6.5052   4.3074   0.0000   0.0000  -6.5052   4.3074  ?   ?    32.735   15.926 0.000000 15.92555 
1 1 1   19    6   14 o   61.689   23.524   5.1833   5.2203   0.0000   0.0000   5.1833   5.2203  ?   ?    61.689   23.524 0.000000 23.52421 
1 1 1   19    6   15 f   48.408   21.116   0.6391   4.9879   0.0000   0.0000   0.6391   4.9879  ?   ?    48.408   21.116 0.000000 21.11578 
1 1 1   19    6   16 o   69.038   24.191   7.4524   5.3437   0.0000   0.0000   7.4524   5.3437  ?   ?    69.038   24.191 0.000000 24.19141 
1 1 1   19    6   17 o   73.784   24.610   8.8528   5.5146   0.0000   0.0000   8.8528   5.5146  ?   ?    73.784   24.610 0.000000 24.60988 
1 1 1   19    6   18 o   89.728   25.312   13.544   6.1385   0.0000   0.0000   13.544   6.1385  ?   ?    89.728   25.312 0.000000 25.31220 
1 1 1   19    6   19 o   61.886   17.767   5.7734   2.9977   2.5451   3.4625   15.434   5.9898   47.898   18.907   96.819   24.003 -48.92038 30.55527 
1 1 1   19    6   20 o   51.620   18.889   3.6366   3.2963   0.5314   3.8705   11.835   6.2892   43.025   18.686   82.383   26.198 -39.35749 32.17941 
1 1 1   19    6   21 o   43.124   18.131   1.2602   3.4368   1.5588   4.1912   0.6471   6.0050   46.917   19.889   50.789   22.616 -3.872635 30.11757 
1 1 1   19    6   22 o   61.728   22.877   5.9186   4.8603   8.1210   7.2884   4.1548   6.5222   69.311   27.408   59.025   24.905 10.28580 37.03355 
1 1 1   19    6   23 o   67.942   25.009   7.9089   5.7905   7.9089   5.7905   0.0000   0.0000   67.942   25.009  ?   ?  0.000000 25.00866 
1 1 1   19    7    0 o  136.835   19.314   27.150   6.6553   14.650   9.3532   39.970   9.4719   92.355   32.025  162.934   23.089 -70.57872 39.48034 
1 1 1   19    7    1 o   49.873   21.837   0.2356   5.3790   2.8000   7.8026  -2.0870   7.4256   62.772   26.889   53.072   24.240 9.700497 36.20221 
1 1 1   19    7    2 o  141.324   18.797   28.791   6.7102   20.660   9.4643   37.010   9.5152  109.221   31.632  155.428   24.441 -46.20700 39.97394 
1 1 1   19    7    3 o   77.566   25.297   9.3609   5.8388   6.4250   8.2205   12.350   8.2947   71.225   28.787   86.412   30.148 -15.18731 41.68444 
1 1 1   19    7    4 f   68.016   24.497   6.6678   5.5133   14.880   7.9307  -1.0130   7.6699   94.180   29.348   55.474   25.059 38.70679 38.59050 
1 1 1   19    7    5 o  111.453   20.923   18.524   5.8186   13.520   8.1919   23.620   8.2661   89.611   29.995  121.165   27.025 -31.55443 40.37400 
1 1 1   19    7    6 o   82.102   24.464   10.614   5.5928   3.5050   7.7991   18.140   8.0246   63.848   27.103  104.101   28.791 -40.25296 39.54090 
1 1 1   19    7    7 o  100.397   22.585   15.492   5.7313   12.660   7.9229   18.600   8.3008   86.877   29.497  104.709   29.398 -17.83154 41.64500 
1 1 1   19    7    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7    9 o   97.720   22.633   14.788   5.6163   0.0000   0.0000   14.788   5.6163  ?   ?    97.720   22.633 0.000000 22.63270 
1 1 1   19    7   10 o   76.094   24.125   9.1301   5.3361   0.0000   0.0000   9.1301   5.3361  ?   ?    76.094   24.125 0.000000 24.12455 
1 1 1   19    7   11 o  126.349   19.400   23.576   6.1465   0.0000   0.0000   23.576   6.1465  ?   ?   126.349   19.400 0.000000 19.40038 
1 1 1   19    7   12 o   90.131   23.842   12.997   5.6523   0.0000   0.0000   12.997   5.6523  ?   ?    90.131   23.842 0.000000 23.84247 
1 1 1   19    7   13 o   89.921   23.995   13.026   5.6928   0.0000   0.0000   13.026   5.6928  ?   ?    89.921   23.995 0.000000 23.99521 
1 1 1   19    7   14 f   61.657   23.788   5.1571   5.3794   0.0000   0.0000   5.1571   5.3794  ?   ?    61.657   23.788 0.000000 23.78797 
1 1 1   19    7   15 o  112.552   22.365   19.815   6.2906   0.0000   0.0000   19.815   6.2906  ?   ?   112.552   22.365 0.000000 22.36504 
1 1 1   19    7   16 o  140.512   19.569   29.590   6.9291   0.0000   0.0000   29.590   6.9291  ?   ?   140.512   19.569 0.000000 19.56890 
1 1 1   19    7   17 o   46.764   21.143  -0.8472   5.4738   0.0000   0.0000  -0.8472   5.4738  ?   ?    46.764   21.143 0.000000 21.14273 
1 1 1   19    7   18 o   63.624   24.967   5.7981   6.0048   0.0000   0.0000   5.7981   6.0048  ?   ?    63.624   24.967 0.000000 24.96745 
1 1 1   19    7   19 o   69.906   17.333   7.3722   3.1232   4.2510   3.5770   17.386   6.4069   54.718   19.729  102.131   24.527 -47.41256 31.47676 
1 1 1   19    7   20 o   54.679   19.189   4.3518   3.3629   2.1666   3.9275   10.356   6.5100   47.850   19.686   76.700   26.711 -28.85027 33.18163 
1 1 1   19    7   21 o   93.394   17.999   13.251   4.1965   11.667   5.1327   16.445   7.2882   83.559   22.992   94.440   27.875 -10.88155 36.13382 
1 1 1   19    7   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8    0 o  100.783   25.346   16.176   6.6102   11.770   9.1253   21.040   9.5882   84.337   31.328  109.375   31.885 -25.03781 44.69998 
1 1 1   19    8    1 o  111.494   23.522   19.195   6.5796   19.210   9.2235   19.180   9.3886  104.786   31.461  104.364   31.833 0.4225006 44.75594 
1 1 1   19    8    2 o   89.159   25.802   12.782   6.2993   11.790   8.6739   13.890   9.1635   84.342   30.674   89.765   31.661 -5.422394 44.08337 
1 1 1   19    8    3 o   99.777   24.239   15.640   6.2027   11.860   8.8499   19.290   8.6961   84.444   30.942  106.044   30.202 -21.59982 43.23860 
1 1 1   19    8    4 o  106.002   23.580   17.455   6.3073   10.580   8.8600   24.520   8.9810   81.096   30.713  121.234   28.990 -40.13815 42.23424 
1 1 1   19    8    5 o  112.427   22.174   19.242   6.2281   17.720   8.6644   20.870   8.9587  100.993   30.531  109.944   30.426 -8.951218 43.10280 
1 1 1   19    8    6 o   94.924   23.932   14.206   5.8829   7.0970   8.3181   21.320   8.3214   72.115   29.024  112.917   28.460 -40.80190 40.64932 
1 1 1   19    8    7 o  145.073   18.333   30.467   6.7353   32.710   9.5638   28.260   9.4871  142.352   26.923  129.999   28.920 12.35289 39.51231 
1 1 1   19    8    8 o   59.994   23.579   4.4110   5.3635  -3.4250   7.2807   13.710   7.9313   49.986   23.245   89.258   29.502 -39.27193 37.55928 
1 1 1   19    8    9 f  125.621   19.938   23.451   6.2711   0.0000   0.0000   23.451   6.2711  ?   ?   125.621   19.938 0.000000 19.93824 
1 1 1   19    8   10 o   82.444   24.901   11.019   5.7655   0.0000   0.0000   11.019   5.7655  ?   ?    82.444   24.901 0.000000 24.90084 
1 1 1   19    8   11 o   54.736   22.685   2.7521   5.2671   0.0000   0.0000   2.7521   5.2671  ?   ?    54.736   22.685 0.000000 22.68480 
1 1 1   19    8   12 o  110.258   22.338   18.920   6.1610   0.0000   0.0000   18.920   6.1610  ?   ?   110.258   22.338 0.000000 22.33759 
1 1 1   19    8   13 o  125.473   21.159   24.048   6.6325   0.0000   0.0000   24.048   6.6325  ?   ?   125.473   21.159 0.000000 21.15942 
1 1 1   19    8   14 o  110.329   23.299   19.369   6.4496   0.0000   0.0000   19.369   6.4496  ?   ?   110.329   23.299 0.000000 23.29880 
1 1 1   19    8   15 o  113.640   23.682   20.726   6.7450   0.0000   0.0000   20.726   6.7450  ?   ?   113.640   23.682 0.000000 23.68204 
1 1 1   19    8   16 o   66.104   25.072   6.6131   5.9095   0.0000   0.0000   6.6131   5.9095  ?   ?    66.104   25.072 0.000000 25.07152 
1 1 1   19    8   17 o   64.322   25.111   6.0379   6.0493   0.0000   0.0000   6.0379   6.0493  ?   ?    64.322   25.111 0.000000 25.11080 
1 1 1   19    8   18 o   86.268   26.744   13.108   6.5954   0.0000   0.0000   13.108   6.5954  ?   ?    86.268   26.744 0.000000 26.74362 
1 1 1   19    8   19 o   36.486   15.887   0.1048   2.8124   2.2665   3.1606  -8.1180   6.1643   45.596   18.043   38.858   18.937 6.738121 26.15631 
1 1 1   19    8   20 o   41.464   18.302   0.0669   3.8484   0.0669   3.8484   0.0000   0.0000   41.464   18.302  ?   ?  0.000000 18.30166 
1 1 1   19    8   21 o   92.096   17.722   12.905   4.0743  -1.2340   7.0735   19.925   4.9842   50.210   23.197  115.343   17.209 -65.13269 28.88301 
1 1 1   19    8   22 o  102.156   16.902   15.714   4.3161   8.7650   7.8704   18.702   5.1614   69.856   28.191  109.863   18.814 -40.00716 33.89220 
1 1 1   19    9    0 o  111.716   25.470   19.963   7.2068   12.000   10.005   28.550   10.390   84.262   32.460  127.826   31.566 -43.56343 45.27820 
1 1 1   19    9    1 o  159.254   19.020   36.903   7.6907   30.490   10.310   44.950   11.548  133.595   30.467  166.474   27.757 -32.87875 41.21572 
1 1 1   19    9    2 o   71.270   26.241   7.6190   6.3756   9.3880   9.0255   5.8570   9.0074   77.890   30.596   70.345   29.451 7.545708 42.46741 
1 1 1   19    9    3 o  104.857   24.675   17.475   6.5905   17.990   9.2726   16.950   9.3687  100.162   31.806   97.056   32.063 3.106117 45.16288 
1 1 1   19    9    4 o  109.486   23.811   18.790   6.5604   9.9210   9.2290   27.850   9.3275   79.052   30.973  129.204   28.624 -50.15118 42.17406 
1 1 1   19    9    5 o  128.094   21.452   24.777   6.8663   19.670   9.4531   30.480   9.9898  104.324   31.964  134.194   29.539 -29.86990 43.52351 
1 1 1   19    9    6 o   70.211   25.496   7.4663   5.9890   15.650   8.2406  -1.6950   8.7190   94.530   29.981   56.769   26.054 37.76043 39.72003 
1 1 1   19    9    7 o   93.720   25.550   14.357   6.3728   3.8770   8.7668   26.100   9.2800   65.641   28.315  123.490   29.429 -57.84930 40.83848 
1 1 1   19    9    8 o  160.644   17.558   37.215   7.1874   27.640   9.6985   48.880   10.705  126.206   30.091  177.081   23.952 -50.87467 38.46026 
1 1 1   19    9    9 o   78.818   29.728   10.360   8.2794   0.0000   0.0000   10.360   8.2794  ?   ?    78.818   29.728 0.000000 29.72804 
1 1 1   19    9   10 o   73.149   25.256   8.5497   5.8140   0.0000   0.0000   8.5497   5.8140  ?   ?    73.149   25.256 0.000000 25.25569 
1 1 1   19    9   11 o   78.172   25.846   10.102   6.0873   0.0000   0.0000   10.102   6.0873  ?   ?    78.172   25.846 0.000000 25.84603 
1 1 1   19    9   12 f   81.999   26.933   11.449   6.6141   0.0000   0.0000   11.449   6.6141  ?   ?    81.999   26.933 0.000000 26.93285 
1 1 1   19    9   13 o   80.480   26.761   11.040   6.5226   0.0000   0.0000   11.040   6.5226  ?   ?    80.480   26.761 0.000000 26.76106 
1 1 1   19    9   14 o  126.676   22.118   25.079   6.9934   0.0000   0.0000   25.079   6.9934  ?   ?   126.676   22.118 0.000000 22.11767 
1 1 1   19    9   15 o  144.757   20.534   32.010   7.4836   0.0000   0.0000   32.010   7.4836  ?   ?   144.757   20.534 0.000000 20.53385 
1 1 1   19    9   16 o   80.695   27.217   11.442   6.7452   0.0000   0.0000   11.442   6.7452  ?   ?    80.695   27.217 0.000000 27.21704 
1 1 1   19    9   17 o   76.218   26.851   10.105   6.5889   0.0000   0.0000   10.105   6.5889  ?   ?    76.218   26.851 0.000000 26.85127 
1 1 1   19    9   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   19 o  107.330   16.672   17.058   4.4848   17.058   4.4848   0.0000   0.0000  107.330   16.672  ?   ?  0.000000 16.67238 
1 1 1   19    9   20 o  100.551   15.884   14.903   3.9997  -0.1765   6.8127   22.835   4.9409   51.142   23.304  125.044   15.593 -73.90125 28.04012 
1 1 1   19    9   21 o  115.622   14.634   19.390   4.2846   14.010   7.5408   21.955   5.2067   84.363   28.776  120.869   17.108 -36.50584 33.47729 
1 1 1   19   10    0 o   55.711   24.078   1.7282   6.3643 -15.7400   8.8125   20.770   9.2009   42.861   21.227  107.677   31.189 -64.81564 37.72736 
1 1 1   19   10    1 o   55.276   24.100   1.3408   6.4901   8.9560   9.3343  -5.7860   9.0300   76.476   30.758   52.472   24.863 24.00468 39.54988 
1 1 1   19   10    2 o   68.983   26.610   6.8724   6.7303   4.8130   9.6197   8.8470   9.4197   68.776   29.664   76.274   30.820 -7.497948 42.77642 
1 1 1   19   10    3 o   61.316   25.140   4.1766   6.3777  -1.9560   9.3768   9.4560   8.7001   57.987   26.761   77.088   30.109 -19.10019 40.28251 
1 1 1   19   10    4 o   42.284   20.100  -5.3248   5.9952 -16.8000   8.4117   6.5220   8.5468   40.718   20.262   70.293   28.994 -29.57517 35.37266 
1 1 1   19   10    5 o   58.678   24.499   3.3050   6.2084  -4.2760   8.5265   11.860   9.0577   52.564   24.675   82.718   31.116 -30.15333 39.71204 
1 1 1   19   10    6 f   55.374   23.668   2.1324   6.0218   3.9950   8.3364   0.1000   8.7081   64.665   27.749   58.914   26.649 5.751293 38.47281 
1 1 1   19   10    7 o   43.636   20.477  -3.8768   5.8633 -10.9100   7.8743   4.8750   8.7838   43.310   21.171   66.978   28.605 -23.66768 35.58749 
1 1 1   19   10    8 o   66.706   25.885   6.3916   6.3982   3.6570   8.9159   9.2950   9.1870   64.835   28.258   76.194   30.560 -11.35970 41.62221 
1 1 1   19   10    9 o   93.037   26.293   14.596   6.6171   7.1230   8.9604   23.560   9.8138   71.218   29.558  112.408   32.108 -41.18960 43.64164 
1 1 1   19   10   10 o  102.025   24.376   16.943   6.3538   0.0000   0.0000   16.943   6.3538  ?   ?   102.025   24.376 0.000000 24.37579 
1 1 1   19   10   11 f   70.085   25.992   7.7659   6.2761   0.0000   0.0000   7.7659   6.2761  ?   ?    70.085   25.992 0.000000 25.99153 
1 1 1   19   10   12 o  113.291   24.784   21.048   7.0707   0.0000   0.0000   21.048   7.0707  ?   ?   113.291   24.784 0.000000 24.78372 
1 1 1   19   10   13 o   74.423   27.469   9.3448   6.9935   0.0000   0.0000   9.3448   6.9935  ?   ?    74.423   27.469 0.000000 27.46913 
1 1 1   19   10   14 o   72.996   26.601   8.9247   6.5279   0.0000   0.0000   8.9247   6.5279  ?   ?    72.996   26.601 0.000000 26.60095 
1 1 1   19   10   15 o   90.854   27.505   14.741   7.0284   0.0000   0.0000   14.741   7.0284  ?   ?    90.854   27.505 0.000000 27.50479 
1 1 1   19   10   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   18 f   57.549   17.518   5.0243   2.8455  -0.8632   4.5520   8.8008   3.6456   42.367   19.206   75.183   18.776 -32.81646 26.85909 
1 1 1   19   10   19 o   56.793   19.118   4.9226   3.3280   7.2990   5.6202   3.6394   4.1299   66.297   24.594   52.739   20.703 13.55851 32.14757 
1 1 1   19   10   20 o   65.009   20.190   6.8195   3.7569   4.5660   6.6919   7.8566   4.5399   59.465   25.166   68.448   22.306 -8.983475 33.62840 
1 1 1   19   10   21 o   91.477   29.175   16.895   7.7953   0.0000   0.0000   16.895   7.7953  ?   ?    91.477   29.175 0.000000 29.17510 
1 1 1   19   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11    2 o   91.647   33.419   16.080   10.305   0.0000   0.0000   16.080   10.305  ?   ?    91.647   33.419 0.000000 33.41897 
1 1 1   19   11    3 o   55.381   24.274   1.3515   6.6628   2.3330   9.8543   0.5249   9.0432   64.481   28.823   60.092   27.171 4.388920 39.61127 
1 1 1   19   11    4 o   90.089   27.751   14.015   7.1145   15.280   10.121   12.780   10.003   89.667   33.054   83.926   32.422 5.740944 46.30080 
1 1 1   19   11    5 o   47.960   22.116  -2.2776   6.3860  -3.6160   9.0633  -0.9580   8.9994   54.492   25.535   57.735   26.488 -3.243252 36.79183 
1 1 1   19   11    6 o   72.002   26.537   8.2793   6.5230   5.3240   8.6770   12.120   9.8919   67.184   28.556   82.128   32.097 -14.94449 42.96095 
1 1 1   19   11    7 o   42.850   20.338  -4.9467   6.0927  -6.4190   8.2275  -3.1590   9.0661   48.659   23.246   54.859   25.654 -6.200691 34.61892 
1 1 1   19   11    8 o   55.632   23.999   2.1484   6.2983   11.590   8.8700  -7.4530   8.9448   80.634   30.684   49.677   23.866 30.95660 38.87318 
1 1 1   19   11    9 o  117.527   24.947   22.638   7.3597   29.560   10.515   15.990   10.304  125.750   32.156   89.914   33.312 35.83562 46.30028 
1 1 1   19   11   10 o   63.628   25.811   5.4034   6.6348   9.1490   9.1778   1.3030   9.6026   74.602   30.323   61.521   27.892 13.08113 41.20006 
1 1 1   19   11   11 o   38.076   18.572  -8.3369   5.9669   0.0000   0.0000  -8.3369   5.9669  ?   ?    38.076   18.572 0.000000 18.57233 
1 1 1   19   11   12 o   83.660   27.511   12.430   6.9002   0.0000   0.0000   12.430   6.9002  ?   ?    83.660   27.511 0.000000 27.51081 
1 1 1   19   11   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   15 o   33.637   16.726 -11.5433   5.6870   0.0000   0.0000 -11.5433   5.6870  ?   ?    33.637   16.726 0.000000 16.72558 
1 1 1   19   11   16 f   84.937   28.190   13.445   7.2389   0.0000   0.0000   13.445   7.2389  ?   ?    84.937   28.190 0.000000 28.18979 
1 1 1   19   11   17 o  158.433   13.470   35.482   5.4754   0.0000   0.0000   35.482   5.4754  ?   ?   158.433   13.470 0.000000 13.46972 
1 1 1   19   11   18 o  101.641   14.212   14.900   3.6395   13.320   6.0008   15.819   4.5775   86.631   25.216  101.815   18.016 -15.18341 30.99029 
1 1 1   19   11   19 o   61.601   19.483   6.0330   3.4819   1.7740   5.8513   8.3679   4.3324   51.659   22.693   70.818   21.629 -19.15898 31.34954 
1 1 1   19   11   20 o   46.093   18.890   2.2307   3.5986   7.6470   6.5488  -0.1124   4.3073   66.188   26.042   42.339   18.981 23.84917 32.22511 
1 1 1   19   12    0 o  197.246   9.3840   52.088   4.7945   42.790   12.711   53.631   5.1769  151.364   33.323  199.444   10.053 -48.07935 34.80638 
1 1 1   19   12    1 o  133.578   24.738   28.874   8.2445   19.080   11.754   38.360   11.567   95.417   35.533  145.462   31.604 -50.04507 47.55379 
1 1 1   19   12    2 o   48.364   22.366  -2.3660   6.6006  -9.8710   9.4603   4.7530   9.2138   48.905   23.748   66.594   28.876 -17.68896 37.38705 
1 1 1   19   12    3 o   42.912   21.221 -14.3600   8.6893 -14.3600   8.6893   0.0000   0.0000   42.912   21.221  ?   ?  0.000000 21.22081 
1 1 1   19   12    4 o   40.259   20.084 -17.2000   8.4864 -17.2000   8.4864   0.0000   0.0000   40.259   20.084  ?   ?  0.000000 20.08448 
1 1 1   19   12    5 o   63.039   28.048   2.7360   9.2163   2.7360   9.2163   0.0000   0.0000   63.039   28.048  ?   ?  0.000000 28.04812 
1 1 1   19   12    6 o   48.010   23.236  -8.7180   8.8620  -8.7180   8.8620   0.0000   0.0000   48.010   23.236  ?   ?  0.000000 23.23556 
1 1 1   19   12    7 o   47.463   22.733  -6.4810   7.9803  -6.4810   7.9803   0.0000   0.0000   47.463   22.733  ?   ?  0.000000 22.73339 
1 1 1   19   12    8 o   49.106   23.525  -6.5170   8.5547  -6.5170   8.5547   0.0000   0.0000   49.106   23.525  ?   ?  0.000000 23.52505 
1 1 1   19   12    9 o  106.365   33.303   22.780   10.199   22.780   10.199   0.0000   0.0000  106.365   33.303  ?   ?  0.000000 33.30332 
1 1 1   19   12   10 o   69.088   29.331   6.7930   9.1361   6.7930   9.1361   0.0000   0.0000   69.088   29.331  ?   ?  0.000000 29.33110 
1 1 1   19   12   11 o   52.283   23.204   0.8955   6.2694   8.0290   8.0879  -9.8440   9.9238   70.567   28.543   49.512   24.106 21.05552 37.36061 
1 1 1   19   12   12 o  146.629   21.973   33.977   8.0887   0.0000   0.0000   33.977   8.0887  ?   ?   146.629   21.973 0.000000 21.97340 
1 1 1   19   12   13 o   58.230   25.101   3.2692   6.8805   0.0000   0.0000   3.2692   6.8805  ?   ?    58.230   25.101 0.000000 25.10122 
1 1 1   19   12   14 o  187.425   19.109   53.349   9.1476   0.0000   0.0000   53.349   9.1476  ?   ?   187.425   19.109 0.000000 19.10948 
1 1 1   19   12   15 o   75.955   27.858   10.584   7.1759   0.0000   0.0000   10.584   7.1759  ?   ?    75.955   27.858 0.000000 27.85789 
1 1 1   19   12   16 o  108.440   15.735   17.275   4.2907   0.0000   0.0000   17.275   4.2907  ?   ?   108.440   15.735 0.000000 15.73467 
1 1 1   19   12   17 o   41.784   16.762   1.7742   2.7647   1.8110   4.3526   1.7493   3.5796   47.573   20.223   44.777   18.641 2.796562 27.50340 
1 1 1   19   12   18 o   51.837   18.911   3.9016   3.3004   0.7120   5.5425   5.6539   4.1082   48.495   21.651   59.622   21.181 -11.12642 30.28887 
1 1 1   19   12   19 o   45.143   18.404   2.1641   3.3937  -1.8500   5.7341   4.3281   4.2102   44.276   20.603   54.465   21.036 -10.18882 29.44483 
1 1 1   19   13    0 o   66.839   17.584   6.7526   3.0854   0.5385   10.605   7.3272   3.2249   61.998   28.558   69.527   17.823 -7.528957 33.66327 
1 1 1   19   13    1 o   49.748   16.462   3.5213   2.4694   9.4480   10.745   3.1907   2.5373   75.369   31.892   48.108   16.680 27.26065 35.99091 
1 1 1   19   13    2 o   57.930   25.525   2.1389   7.4533  -3.8050   10.677   7.7880   10.409   57.242   27.097   72.274   31.010 -15.03229 41.18155 
1 1 1   19   13    3 o   97.665   28.562   17.275   7.6831   25.890   11.059   9.2390   10.682  111.892   34.622   74.892   31.751 36.99904 46.97631 
1 1 1   19   13    4 o  146.898   23.172   34.471   8.5249   36.380   12.084   32.580   12.028  135.361   34.394  125.588   35.434 9.773285 49.38116 
1 1 1   19   13    5 o   77.759   28.204   10.735   7.3257   11.690   10.229   9.7290   10.496   79.158   32.071   75.458   31.703 3.700890 45.09583 
1 1 1   19   13    6 o   44.857   21.166  -4.0224   6.4198   3.3530   8.6558 -13.0400   9.5710   62.218   27.456   46.098   22.696 16.12084 35.62169 
1 1 1   19   13    7 o   96.362   27.620   16.646   7.2496   16.080   9.9389   17.290   10.598   88.693   32.745   90.583   33.739 -1.889938 47.01617 
1 1 1   19   13    8 o   94.951   28.038   16.396   7.3720   14.890   10.219   18.030   10.646   85.323   32.823   91.935   33.899 -6.612122 47.18570 
1 1 1   19   13    9 o   64.398   26.620   5.8030   7.2262  -9.0860   9.8546   23.120   10.628   49.771   24.184  104.358   34.134 -54.58781 41.83313 
1 1 1   19   13   10 o   68.812   27.197   7.7211   7.1731   6.7350   9.9461   8.7900   10.355   68.919   29.943   72.697   31.054 -3.777962 43.13832 
1 1 1   19   13   11 o   67.352   26.986   7.2198   7.1556  -4.5970   9.7459   21.040   10.540   53.439   25.466   98.421   34.003 -44.98162 42.48210 
1 1 1   19   13   12 o  127.546   35.512   34.940   12.165   0.0000   0.0000   34.940   12.165  ?   ?   127.546   35.512 0.000000 35.51223 
1 1 1   19   13   13 o   90.305   28.793   15.602   7.5929   0.0000   0.0000   15.602   7.5929  ?   ?    90.305   28.793 0.000000 28.79288 
1 1 1   19   13   14 o   81.152   28.414   12.620   7.3716   0.0000   0.0000   12.620   7.3716  ?   ?    81.152   28.414 0.000000 28.41439 
1 1 1   19   13   15 o   91.806   17.960   12.943   4.1180   0.0000   0.0000   12.943   4.1180  ?   ?    91.806   17.960 0.000000 17.95994 
1 1 1   19   13   16 o   84.198   15.270   10.503   3.2077   1.6950   5.0705   16.379   4.1417   49.287   21.397  105.217   15.675 -55.92976 26.52391 
1 1 1   19   13   17 o  100.588   14.629   14.812   3.6999   9.3520   6.2022   17.829   4.6100   71.292   25.937  108.468   16.964 -37.17651 30.99145 
1 1 1   19   13   18 f  135.179   12.634   25.967   4.3726   12.650   7.5782   32.613   5.3536   78.398   28.647  150.216   13.917 -71.81813 31.84873 
1 1 1   19   13   19 o   23.174   11.699  -9.8418   3.3395 -11.9100   5.2021  -8.3920   4.3554   30.576   15.324   29.810   14.791 0.7661228 21.29759 
1 1 1   19   14    0 o   97.868   15.320   13.916   3.7564   5.8590   11.150   14.948   3.9897   68.829   30.721  101.205   15.730 -32.37568 34.51344 
1 1 1   19   14    1 o  135.961   12.146   25.668   4.2325   24.350   13.177   25.819   4.4693  100.036   37.550  135.824   12.856 -35.78745 39.68971 
1 1 1   19   14    2 o   97.556   13.667   13.535   3.3588   8.3180   11.716   14.002   3.5060   72.824   32.047   98.997   14.068 -26.17336 34.99921 
1 1 1   19   14    3 o   87.268   30.126   14.763   8.2725   11.470   11.519   18.270   11.887   77.632   32.945   89.943   35.176 -12.31152 48.19520 
1 1 1   19   14    4 f   80.034   29.394   12.061   7.9932   8.8370   11.240   15.360   11.369   73.204   31.818   84.633   33.978 -11.42847 46.54991 
1 1 1   19   14    5 o  120.868   27.046   25.610   8.2561   13.120   11.559   38.620   11.797   80.226   33.456  140.237   33.021 -60.01100 47.00772 
1 1 1   19   14    6 o  101.431   28.489   19.015   7.7938   7.2280   10.863   31.520   11.188   70.230   30.884  123.958   33.879 -53.72749 45.84292 
1 1 1   19   14    7 o   68.556   27.068   7.7537   7.0980   5.5720   9.3441   10.730   10.914   65.999   28.842   75.753   32.104 -9.754250 43.15664 
1 1 1   19   14    8 o  102.211   28.616   19.472   7.8764   17.130   10.675   22.270   11.669   88.305   33.648   97.843   35.579 -9.538490 48.96996 
1 1 1   19   14    9 o   74.514   28.070   10.130   7.3761   7.7860   10.038   12.880   10.875   69.995   30.245   79.144   32.681 -9.149673 44.52920 
1 1 1   19   14   10 o  160.202   22.075   41.216   8.9173   40.540   12.441   41.930   12.788  139.586   34.585  141.133   35.121 -1.547180 49.29150 
1 1 1   19   14   11 o   59.112   25.401   3.9706   7.0025  -2.4800   9.0302   13.700   11.090   53.490   25.198   79.866   32.993 -26.37635 41.51522 
1 1 1   19   14   12 o   73.145   28.129   9.9218   7.5035   0.8107   9.9726   21.810   11.391   59.084   27.383   95.620   35.095 -36.53576 44.51409 
1 1 1   19   14   13 o   63.101   25.860   6.1175   6.7444   0.0000   0.0000   6.1175   6.7444  ?   ?    63.101   25.860 0.000000 25.86018 
1 1 1   19   14   14 o   38.048   15.568   1.2198   2.4396  -0.9558   3.6069   3.0543   3.3121   37.445   17.022   48.402   18.668 -10.95734 25.26328 
1 1 1   19   14   15 o   33.721   14.964  -0.2643   2.6067  -3.4400   4.0105   2.0587   3.4301   34.608   16.448   44.978   18.439 -10.37038 24.70847 
1 1 1   19   14   16 o   38.772   16.666   0.7053   3.0166  -7.2430   4.9253   5.4766   3.8161   33.798   16.568   58.430   20.445 -24.63219 26.31496 
1 1 1   19   14   17 o   49.493   18.904   3.4329   3.3745   2.8250   5.6618   3.7679   4.2026   52.495   22.699   52.162   20.754 0.3325882 30.75657 
1 1 1   19   14   18 f   28.427   13.858  -4.8072   3.3081  -1.8440   5.6936  -6.3173   4.0646   43.522   20.345   30.552   14.992 12.96996 25.27177 
1 1 1   19   15    0 o   65.388   19.922   6.8037   3.6787   9.3380   11.504   6.5151   3.8826   72.831   31.911   63.869   20.613 8.962006 37.98930 
1 1 1   19   15    1 o   83.761   18.302   10.823   3.8599  -4.5140   11.636   12.719   4.0915   56.941   27.320   91.277   17.945 -34.33649 32.68640 
1 1 1   19   15    2 o  139.096   12.422   27.074   4.4285   10.220   12.501   29.493   4.7356   74.435   32.913  144.934   12.743 -70.49873 35.29413 
1 1 1   19   15    3 o  187.477   10.517   48.066   5.0865   25.840   12.908   52.152   5.5342  101.316   37.332  194.809   11.012 -93.49350 38.92281 
1 1 1   19   15    4 o  112.977   12.750   17.995   3.6660   16.150   11.905   18.188   3.8533   83.918   34.371  113.113   13.413 -29.19473 36.89533 
1 1 1   19   15    5 o   77.249   14.960   8.7748   2.8854   23.010   11.191   7.7612   2.9863   99.687   35.005   71.693   16.432 27.99444 38.66991 
1 1 1   19   15    6 o  104.416   12.011   15.268   3.1894   12.550   11.008   15.518   3.3323   77.729   32.552  104.952   12.504 -27.22299 34.87120 
1 1 1   19   15    7 o   53.664   24.312   0.7517   7.2814   6.4940   10.231  -5.1430   10.366   67.333   29.774   53.558   25.720 13.77474 39.34496 
1 1 1   19   15    8 o   73.318   28.509   10.056   7.7738   6.2790   10.499   14.640   11.566   67.053   29.878   80.701   33.544 -13.64746 44.92111 
1 1 1   19   15    9 o   45.664   21.619  -3.6914   6.7996   6.9090   8.8098 -19.3100   10.694   66.537   28.538   44.052   22.062 22.48550 36.07148 
1 1 1   19   15   10 o   65.291   14.981   6.3547   2.4799   5.9950   10.748   6.3749   2.5487   66.380   29.854   65.204   15.346 1.176109 33.56695 
1 1 1   19   15   11 o  105.948   12.305   15.848   3.3140   11.070   11.521   16.279   3.4602   73.733   32.129  107.097   12.722 -33.36471 34.55616 
1 1 1   19   15   12 o  198.509   10.019   53.903   5.1353   32.440   12.548   58.221   5.6282  113.764   37.084  205.676   10.600 -91.91183 38.56879 
1 1 1   19   15   13 o   30.328   14.086  -1.6538   2.6595  -4.8200   3.7673   1.4918   3.7551   31.191   15.109   44.238   18.794 -13.04681 24.11368 
1 1 1   19   15   14 o   63.993   18.837   6.6030   3.3322   0.9982   5.2213   10.454   4.3282   47.630   21.156   79.097   20.835 -31.46607 29.69276 
1 1 1   19   15   15 o   74.119   19.060   8.9273   3.6800  -8.1100   5.7892   20.479   4.7670   36.331   17.840  116.408   16.253 -80.07657 24.13344 
1 1 1   19   15   16 o  108.308   15.532   17.627   4.2328   3.7170   6.9401   25.867   5.3412   56.155   24.690  130.775   16.108 -74.62020 29.47984 
1 1 1   19   15   17 o   42.526   18.467   1.0961   3.7794  -0.9389   5.7870   2.6096   4.9908   44.982   20.852   49.855   21.434 -4.872875 29.90338 
1 1 1   19   16    0 o   35.638   17.072  -4.4150   4.5041 -19.9700   11.285  -1.4676   4.9123   44.945   22.532   42.202   19.438 2.742538 29.75761 
1 1 1   19   16    1 o   39.803   18.485  -2.0416   4.5796  -4.0490   11.316  -1.6484   5.0081   55.884   26.847   42.268   19.525 13.61589 33.19604 
1 1 1   19   16    2 o  126.640   13.406   22.882   4.3308   13.970   12.273   24.150   4.6286   78.274   33.631  129.590   14.012 -51.31551 36.43311 
1 1 1   19   16    3 o   60.786   19.525   5.8697   3.4867 -13.3700   11.879   7.6835   3.6473   50.034   24.755   69.128   19.515 -19.09364 31.52223 
1 1 1   19   16    4 o  117.535   13.403   19.741   4.0076   22.010   11.031   19.396   4.3015   95.754   34.627  115.418   14.723 -19.66409 37.62749 
1 1 1   19   16    5 f  115.767   13.500   19.191   3.9723   23.020   12.508   18.761   4.1892   93.768   36.246  113.587   14.574 -19.81869 39.06617 
1 1 1   19   16    6 o  139.048   11.769   27.019   4.1992   18.130   11.490   28.390   4.5113   85.925   34.275  141.997   12.389 -56.07258 36.44539 
1 1 1   19   16    7 o   48.996   18.045   3.3664   3.0153   2.6380   10.069   3.4382   3.1603   60.646   27.895   49.577   18.432 11.06873 33.43454 
1 1 1   19   16    8 o   60.972   18.159   5.8573   3.0821   22.110   11.014   4.4766   3.2104   95.012   34.564   54.171   18.764 40.84137 39.32891 
1 1 1   19   16    9 o   86.323   16.044   11.227   3.4554  -2.3190   9.8191   13.142   3.6915   54.172   25.743   93.764   15.758 -39.59226 30.18290 
1 1 1   19   16   10 o   94.316   15.528   13.272   3.6616 -15.2100   11.047   16.787   3.8809   46.534   23.166  107.249   14.328 -60.71502 27.23926 
1 1 1   19   16   11 o  176.274   11.145   43.230   5.0628   11.500   12.996   48.907   5.4971   72.392   32.667  187.244   11.388 -114.8522 34.59521 
1 1 1   19   16   12 o   84.993   21.717   12.319   4.7987   10.570   11.254   12.708   5.3053   70.738   31.256   84.523   23.422 -13.78458 39.05813 
1 1 1   19   16   13 o   39.299   17.117   0.5793   3.2664   1.2902   4.6023  -0.1422   4.6367   46.074   20.185   43.021   19.454 3.052559 28.03402 
1 1 1   19   16   14 o   69.969   20.502   8.3259   3.9554   3.4580   5.9837   12.104   5.2712   53.978   23.338   81.457   23.611 -27.47857 33.19862 
1 1 1   19   16   15 o   47.295   19.154   2.8171   3.6470  -1.9730   6.0541   5.5455   4.5690   44.156   20.748   57.718   22.008 -13.56189 30.24680 
1 1 1   19   16   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17    0 o   30.997   15.016  -4.7582   3.7236  -7.5370   11.824  -4.4523   3.9233   53.050   25.934   32.497   15.661 20.55304 30.29604 
1 1 1   19   17    1 o   75.317   20.551   9.4274   4.1210   8.1900   12.666   9.5739   4.3582   68.665   31.473   75.226   21.365 -6.561615 38.04001 
1 1 1   19   17    2 o   58.269   22.735   5.2795   4.9569   23.690   12.197   1.6372   5.4251   93.635   35.898   49.637   21.827 43.99799 42.01258 
1 1 1   19   17    3 o  155.193   15.749   35.759   6.2433   38.830   13.929   34.987   6.9842  119.486   39.076  150.257   18.324 -30.77159 43.15942 
1 1 1   19   17    4 o  135.647   13.382   26.416   4.6406   32.780   13.537   25.569   4.9399  107.742   38.430  132.164   14.677 -24.42180 41.13785 
1 1 1   19   17    5 o  117.220   15.113   20.300   4.4818   4.7850   12.217   22.713   4.8177   64.397   30.002  123.818   15.350 -59.42087 33.70110 
1 1 1   19   17    6 o  143.629   12.768   29.380   4.7007   8.7330   12.437   32.821   5.0773   68.831   31.412  151.538   13.062 -82.70692 34.01988 
1 1 1   19   17    7 o   46.579   18.775   2.5642   3.4864  -2.3300   11.650   3.0457   3.6539   56.549   27.186   48.685   19.357 7.863842 33.37324 
1 1 1   19   17    8 o   89.222   17.612   12.427   3.9259   15.390   11.333   12.023   4.1850   78.244   32.912   86.305   19.214 -8.061012 38.10966 
1 1 1   19   17    9 o  156.877   11.897   34.723   4.7987   32.100   11.727   35.251   5.2591  112.867   35.761  156.763   13.071 -43.89657 38.07480 
1 1 1   19   17   10 o   86.304   17.972   11.794   3.8871  -5.2770   11.266   14.101   4.1414   52.867   25.728   95.056   17.463 -42.18954 31.09487 
1 1 1   19   17   11 o   75.238   23.844   10.478   5.2132   9.2190   11.678   10.791   5.8258   67.483   30.658   74.735   25.294 -7.252426 39.74535 
1 1 1   19   17   12 o   77.704   19.868   10.123   4.0146   8.3620   5.6454   11.926   5.7101   66.563   24.658   78.728   24.955 -12.16414 35.08229 
1 1 1   19   17   13 o   78.075   20.109   10.342   4.0916   5.4056   5.6756   15.683   5.9038   57.605   23.679   91.471   24.448 -33.86589 34.03508 
1 1 1   19   17   14 o   41.819   19.268  -0.7440   4.8321  -2.2641   5.2767   7.1530   12.027   40.836   19.245   63.213   29.556 -22.37677 35.26902 
1 1 1   19   18    0 o   49.775   20.960   2.8021   4.6045   0.0000   0.0000   2.8021   4.6045  ?   ?    49.775   20.960 0.000000 20.95988 
1 1 1   19   18    1 f   58.678   21.738   5.7052   4.3879  -6.7930   12.859   7.3522   4.6681   54.186   26.604   64.628   22.612 -10.44172 34.91541 
1 1 1   19   18    2 o  156.473   13.107   35.224   5.2635   11.850   12.528   40.234   5.8003   71.162   32.097  166.721   13.548 -95.55941 34.83890 
1 1 1   19   18    3 o   83.960   20.380   11.791   4.3877   18.550   12.772   10.886   4.6720   80.280   34.395   78.888   22.023 1.392128 40.84145 
1 1 1   19   18    4 o  124.403   19.587   24.992   6.1031   32.040   13.963   23.328   6.7855  100.359   38.425  115.188   23.537 -14.82855 45.06092 
1 1 1   19   18    5 o   78.788   24.503   11.663   5.5316   2.3310   13.136   13.674   6.0987   61.145   29.255   84.162   25.653 -23.01660 38.90942 
1 1 1   19   18    6 o   46.775   22.531  -4.5729   8.0956   0.6339   10.888 -11.0100   12.106   57.128   27.136   50.017   24.790 7.111805 36.75472 
1 1 1   19   18    7 o   56.659   25.547   3.4869   7.9298  -9.2660   10.198   22.990   12.611   47.426   23.364   86.819   35.446 -39.39335 42.45377 
1 1 1   19   18    8 o  100.693   23.009   17.979   5.8701   33.760   12.147   13.171   6.7050  111.140   36.499   79.660   27.134 31.48010 45.47988 
1 1 1   19   18    9 o  178.986   15.319   48.116   7.0339   43.920   13.581   49.654   8.2227  125.348   38.297  177.029   18.190 -51.68110 42.39774 
1 1 1   19   18   10 o   66.849   28.135   9.5075   8.2898  -3.0450   11.807   21.710   11.642   54.117   26.337   85.117   34.308 -31.00051 43.25154 
1 1 1   19   18   11 o   70.398   29.200   11.674   8.7378  -1.6350   12.254   25.440   12.463   55.356   26.914   88.673   35.584 -33.31693 44.61592 
1 1 1   19   18   12 o   74.813   32.929   17.470   12.374   0.0000   0.0000   17.470   12.374  ?   ?    74.813   32.929 0.000000 32.92905 
1 1 1   19   18   13 o   66.700   25.279   9.1869   6.0047   0.0000   0.0000   9.1869   6.0047  ?   ?    66.700   25.279 0.000000 25.27863 
1 1 1   19   19    0 o   74.741   22.753   10.277   4.7999   27.560   13.268   7.6741   5.1486   90.632   36.593   64.171   23.588 26.46053 43.53653 
1 1 1   19   19    1 o   60.798   22.494   6.5773   4.6950   3.5070   12.154   7.1158   5.0901   59.932   28.526   62.376   23.353 -2.443398 36.86602 
1 1 1   19   19    2 o  172.804   14.064   44.043   6.2405   35.550   13.896   46.188   6.9844  103.174   38.594  174.571   15.610 -71.39749 41.63136 
1 1 1   19   19    3 o   66.259   23.691   8.2888   5.1473   0.0000   0.0000   8.2888   5.1473  ?   ?    66.259   23.691 0.000000 23.69077 
1 1 1   19   19    4 o  136.545   18.228   29.811   6.2861   0.0000   0.0000   29.811   6.2861  ?   ?   136.545   18.228 0.000000 18.22805 
1 1 1   19   19    5 o  104.740   21.343   18.910   5.5939   0.0000   0.0000   18.910   5.5939  ?   ?   104.740   21.343 0.000000 21.34285 
1 1 1   19   19    6 o   37.986   17.773  -1.8548   4.3616   0.0000   0.0000  -1.8548   4.3616  ?   ?    37.986   17.773 0.000000 17.77299 
1 1 1   19   19    7 o  175.146   15.405   46.597   6.9178   0.0000   0.0000   46.597   6.9178  ?   ?   175.146   15.405 0.000000 15.40493 
1 1 1   19   19    8 o   82.955   23.435   12.997   5.2579   0.0000   0.0000   12.997   5.2579  ?   ?    82.955   23.435 0.000000 23.43514 
1 1 1   19   19    9 o   43.675   20.797  -2.5330   6.4735   0.0000   0.0000  -2.5330   6.4735  ?   ?    43.675   20.797 0.000000 20.79660 
1 1 1   19   19   10 o  122.321   18.085   24.304   5.5574   16.184   7.1882   36.370   8.7621   84.260   28.097  137.194   25.598 -52.93341 38.00890 
1 1 1   19   19   11 o   87.326   22.305   14.101   5.0634   3.5401   6.6854   28.310   7.7544   52.795   23.660  119.748   25.763 -66.95267 34.97914 
1 1 1   19   20    0 o   63.726   22.918   7.7915   4.8235   23.820   12.297   4.8769   5.2437   82.900   34.534   54.496   22.614 28.40409 41.27970 
1 1 1   19   20    1 o   72.855   22.794   10.136   4.7788  -0.7409   12.801   11.897   5.1513   55.152   26.966   78.354   23.508 -23.20152 35.77463 
1 1 1   19   20    2 o   83.296   22.129   12.756   4.8556   13.010   12.485   12.711   5.2705   67.355   31.010   80.988   23.648 -13.63339 38.99842 
1 1 1   19   20    3 o   55.789   21.737   5.4289   4.5259   17.320   11.989   3.4525   4.8876   73.252   32.319   50.352   21.417 22.90059 38.77124 
1 1 1   19   20    4 o   54.518   21.456   5.0649   4.4466  -3.4010   11.742   6.4820   4.8044   51.997   25.508   59.101   22.560 -7.103294 34.05310 
1 1 1   19   20    5 o   51.078   20.782   4.0331   4.3166   12.970   11.738   2.6355   4.6419   67.251   30.624   47.721   20.594 19.53048 36.90417 
1 1 1   19   20    6 o   48.167   20.419   3.0111   4.4175   5.6240   11.347   2.5443   4.7959   58.814   27.868   47.695   20.757 11.11860 34.74920 
1 1 1   19   20    7 o   58.838   21.850   6.4397   4.4384  -2.4490   10.847   8.2274   4.8643   51.060   24.935   64.593   23.037 -13.53354 33.94807 
1 1 1   19   20    8 o   54.667   23.097   5.1617   5.6219  -4.2680   11.315   8.2526   6.4781   50.071   24.656   62.080   25.382 -12.00959 35.38610 
1 1 1   19   20    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21    0 o   36.402   17.463  -3.2163   4.7495  -7.1140   12.011  -2.4940   5.1709   48.465   24.133   38.866   18.529 9.599224 30.42537 
1 1 1   19   21    1 o   62.328   23.407   7.9993   5.1217 -24.9200   13.040   14.004   5.5692   42.193   21.488   82.301   24.387 -40.10868 32.50350 
1 1 1   19   21    2 o   46.063   20.396   2.1351   4.8169   19.210   12.556  -0.8117   5.2160   71.165   32.112   41.510   19.426 29.65493 37.53067 
1 1 1   19   21    3 o   70.009   23.306   10.046   4.9467   2.1700   12.548   11.495   5.3826   54.763   26.760   73.671   24.301 -18.90823 36.14747 
1 1 1   19   21    4 o   88.720   22.416   15.040   5.1533   14.280   13.755   15.164   5.5581   64.237   30.509   86.555   23.970 -22.31856 38.79869 
1 1 1   19   21    5 o   47.227   20.584   2.8007   4.7317   3.5900   13.234   2.6851   5.0667   55.725   27.283   47.522   20.986 8.203297 34.42079 
1 1 1   20    0    0 o   34.916   20.479   2.2720   3.1173   2.2720   3.1173   2.2720   3.1173   34.916   20.479   34.916   20.479 0.000000 0.000000 
1 1 1   20    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   17 o   23.812   16.080  -0.7502   2.8933  -0.7502   2.8933  -0.7502   2.8933   23.812   16.080   23.812   16.080 0.000000 0.000000 
1 1 1   20    0   18 o   40.543   23.057   3.9057   3.7704   3.9057   3.7704   3.9057   3.7704   40.543   23.057   40.543   23.057 0.000000 0.000000 
1 1 1   20    0   19 o   25.783   17.742  -1.5611   3.8944  -1.5611   3.8944  -1.5611   3.8944   25.783   17.742   25.783   17.742 0.000000 0.000000 
1 1 1   20    1    0 o  170.818   12.103   39.849   5.3206   23.620   7.4450   56.790   7.6066  121.984   24.414  201.706   14.659 -79.72167 28.47685 
1 1 1   20    1    1 o  165.346   17.026   39.190   7.1878   39.190   7.1878   0.0000   0.0000  165.346   17.026  ?   ?  0.000000 17.02583 
1 1 1   20    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   16 o  116.679   14.766   19.502   4.3629   0.0000   0.0000   19.502   4.3629  ?   ?   116.679   14.766 0.000000 14.76607 
1 1 1   20    1   17 o  110.297   16.970   18.033   4.6930   0.0000   0.0000   18.033   4.6930  ?   ?   110.297   16.970 0.000000 16.97032 
1 1 1   20    1   18 o   93.407   12.452   12.281   2.9379   10.454   3.7911   15.029   4.6482   82.454   18.234   98.829   18.845 -16.37575 26.22260 
1 1 1   20    1   19 o   36.348   16.571  -1.1628   3.4496  -1.1628   3.4496   0.0000   0.0000   36.348   16.571  ?   ?  0.000000 16.57066 
1 1 1   20    2    0 o  120.913   15.665   20.781   4.7909   11.020   6.7878   30.470   6.7630   81.196   27.303  144.334   18.516 -63.13893 32.98959 
1 1 1   20    2    1 o   55.542   19.286   4.3279   3.3925   10.580   4.8954  -1.4490   4.7057   82.010   22.408   42.859   19.467 39.15157 29.68308 
1 1 1   20    2    2 o  143.587   12.546   28.327   4.6193   22.960   6.5683   33.580   6.4975  122.751   21.438  153.230   16.638 -30.47845 27.13628 
1 1 1   20    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   14 o   32.567   14.700  -0.9023   2.6335   0.0000   0.0000  -0.9023   2.6335  ?   ?    32.567   14.700 0.000000 14.69980 
1 1 1   20    2   15 o   55.309   19.565   4.4163   3.5016   0.0000   0.0000   4.4163   3.5016  ?   ?    55.309   19.565 0.000000 19.56499 
1 1 1   20    2   16 o   95.795   18.925   14.029   4.5294   0.0000   0.0000   14.029   4.5294  ?   ?    95.795   18.925 0.000000 18.92493 
1 1 1   20    2   17 o   89.455   20.828   12.743   4.7360   0.0000   0.0000   12.743   4.7360  ?   ?    89.455   20.828 0.000000 20.82775 
1 1 1   20    2   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   19 o   71.191   23.534   8.6659   5.0469   0.0000   0.0000   8.6659   5.0469  ?   ?    71.191   23.534 0.000000 23.53373 
1 1 1   20    3    0 o   27.660   13.634  -6.7940   3.4871 -14.3200   5.1249  -0.3057   4.7585   29.386   14.792   45.440   20.189 -16.05463 25.02792 
1 1 1   20    3    1 o   70.240   20.925   7.5881   4.0920   5.8130   5.9471   9.1840   5.6390   64.680   24.996   75.552   24.871 -10.87197 35.26122 
1 1 1   20    3    2 o   52.706   19.669   3.5649   3.6052   1.8790   5.0805   5.2750   5.1168   51.842   21.933   61.777   23.354 -9.935299 32.03833 
1 1 1   20    3    3 o   47.976   18.566   2.6007   3.2846   4.3950   4.5831   0.7058   4.7098   57.888   22.050   47.572   20.636 10.31631 30.20019 
1 1 1   20    3    4 o  105.831   14.460   15.793   3.8603   0.0000   0.0000   15.793   3.8603  ?   ?   105.831   14.460 0.000000 14.46031 
1 1 1   20    3    5 o  148.007   12.129   30.024   4.6091   0.0000   0.0000   30.024   4.6091  ?   ?   148.007   12.129 0.000000 12.12857 
1 1 1   20    3    6 o   92.914   13.890   12.159   3.2404   0.0000   0.0000   12.159   3.2404  ?   ?    92.914   13.890 0.000000 13.89022 
1 1 1   20    3    7 o  122.434   12.087   20.611   3.7833   0.0000   0.0000   20.611   3.7833  ?   ?   122.434   12.087 0.000000 12.08711 
1 1 1   20    3    8 o  132.212   11.930   23.990   4.0417   0.0000   0.0000   23.990   4.0417  ?   ?   132.212   11.930 0.000000 11.93019 
1 1 1   20    3    9 o  120.365   12.616   20.057   3.8750   0.0000   0.0000   20.057   3.8750  ?   ?   120.365   12.616 0.000000 12.61606 
1 1 1   20    3   10 o   61.582   17.133   5.6430   2.8329   0.0000   0.0000   5.6430   2.8329  ?   ?    61.582   17.133 0.000000 17.13346 
1 1 1   20    3   11 f   57.467   17.918   4.8895   2.9559   0.0000   0.0000   4.8895   2.9559  ?   ?    57.467   17.918 0.000000 17.91835 
1 1 1   20    3   12 o   45.705   17.669   2.3816   2.9723   0.0000   0.0000   2.3816   2.9723  ?   ?    45.705   17.669 0.000000 17.66857 
1 1 1   20    3   13 o  105.982   16.129   16.314   4.2881   0.0000   0.0000   16.314   4.2881  ?   ?   105.982   16.129 0.000000 16.12890 
1 1 1   20    3   14 f   61.252   20.831   5.7129   3.9517   0.0000   0.0000   5.7129   3.9517  ?   ?    61.252   20.831 0.000000 20.83129 
1 1 1   20    3   15 o   37.268   17.050  -1.4852   3.6933   0.0000   0.0000  -1.4852   3.6933  ?   ?    37.268   17.050 0.000000 17.05007 
1 1 1   20    3   16 f  118.728   17.716   21.039   5.2817   0.0000   0.0000   21.039   5.2817  ?   ?   118.728   17.716 0.000000 17.71633 
1 1 1   20    3   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   18 o   37.509   17.648  -3.0570   4.4036   0.0000   0.0000  -3.0570   4.4036  ?   ?    37.509   17.648 0.000000 17.64771 
1 1 1   20    3   19 f  104.474   22.804   18.191   5.9979   0.0000   0.0000   18.191   5.9979  ?   ?   104.474   22.804 0.000000 22.80377 
1 1 1   20    4    0 o   48.735   22.134  -1.2180   6.0809  -1.2180   6.0809   0.0000   0.0000   48.735   22.134  ?   ?  0.000000 22.13382 
1 1 1   20    4    1 o   75.352   26.291   9.2460   6.3085   0.0000   0.0000   9.2460   6.3085  ?   ?    75.352   26.291 0.000000 26.29125 
1 1 1   20    4    2 o  166.308   13.953   38.519   5.9551   21.130   8.1133   58.830   8.7684  111.052   28.163  202.599   16.862 -91.54659 32.82502 
1 1 1   20    4    3 o   59.934   21.107   5.1974   4.0709  -0.3225   5.6771   11.040   5.8407   48.915   21.870   81.920   25.129 -33.00552 33.31343 
1 1 1   20    4    4 o  111.019   16.720   17.831   4.6589   8.7970   6.4219   27.870   6.7693   73.817   26.455  136.639   19.694 -62.82269 32.98050 
1 1 1   20    4    5 o  213.218   12.423   62.355   6.8316   0.0000   0.0000   62.355   6.8316  ?   ?   213.218   12.423 0.000000 12.42323 
1 1 1   20    4    6 o   62.282   20.258   5.8289   3.7454   0.0000   0.0000   5.8289   3.7454  ?   ?    62.282   20.258 0.000000 20.25816 
1 1 1   20    4    7 o   56.441   19.597   4.5591   3.5030   0.0000   0.0000   4.5591   3.5030  ?   ?    56.441   19.597 0.000000 19.59719 
1 1 1   20    4    8 o   59.428   19.821   5.2297   3.5774   0.0000   0.0000   5.2297   3.5774  ?   ?    59.428   19.821 0.000000 19.82143 
1 1 1   20    4    9 o  146.428   13.583   29.921   5.0933   0.0000   0.0000   29.921   5.0933  ?   ?   146.428   13.583 0.000000 13.58316 
1 1 1   20    4   10 o  148.105   13.615   30.646   5.1647   0.0000   0.0000   30.646   5.1647  ?   ?   148.105   13.615 0.000000 13.61491 
1 1 1   20    4   11 o   36.361   16.424  -1.0113   3.2937   0.0000   0.0000  -1.0113   3.2937  ?   ?    36.361   16.424 0.000000 16.42355 
1 1 1   20    4   12 o   66.397   20.893   6.8726   4.0085   0.0000   0.0000   6.8726   4.0085  ?   ?    66.397   20.893 0.000000 20.89311 
1 1 1   20    4   13 o   36.541   16.799  -1.7477   3.6459   0.0000   0.0000  -1.7477   3.6459  ?   ?    36.541   16.799 0.000000 16.79920 
1 1 1   20    4   14 o   47.446   19.825   1.8202   4.0696   0.0000   0.0000   1.8202   4.0696  ?   ?    47.446   19.825 0.000000 19.82454 
1 1 1   20    4   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   16 o   47.091   20.028   1.5378   4.2730   0.0000   0.0000   1.5378   4.2730  ?   ?    47.091   20.028 0.000000 20.02759 
1 1 1   20    4   17 o   49.213   20.915   1.9320   4.6536   0.0000   0.0000   1.9320   4.6536  ?   ?    49.213   20.915 0.000000 20.91470 
1 1 1   20    4   18 o   45.785   20.337   0.3522   4.8263   0.0000   0.0000   0.3522   4.8263  ?   ?    45.785   20.337 0.000000 20.33746 
1 1 1   20    4   19 o   48.883   21.665   0.9765   5.4473   0.0000   0.0000   0.9765   5.4473  ?   ?    48.883   21.665 0.000000 21.66518 
1 1 1   20    5    0 o   54.327   21.885   3.2330   4.7337   6.4550   6.8124   0.2249   6.5824   67.219   26.525   52.887   23.605 14.33174 35.50685 
1 1 1   20    5    1 o   65.183   23.119   6.4148   4.8924   5.6840   7.1331   7.0640   6.7228   65.734   26.727   68.763   26.575 -3.029625 37.69059 
1 1 1   20    5    2 o   64.726   26.000   5.5670   6.6610   5.5670   6.6610   0.0000   0.0000   64.726   26.000  ?   ?  0.000000 26.00004 
1 1 1   20    5    3 o   91.197   27.233   14.280   6.9249   14.280   6.9249   0.0000   0.0000   91.197   27.233  ?   ?  0.000000 27.23264 
1 1 1   20    5    4 o   99.384   28.032   17.170   7.5290   0.0000   0.0000   17.170   7.5290  ?   ?    99.384   28.032 0.000000 28.03155 
1 1 1   20    5    5 o  124.628   25.191   25.280   7.8526   0.0000   0.0000   25.280   7.8526  ?   ?   124.628   25.191 0.000000 25.19117 
1 1 1   20    5    6 o  105.463   18.290   16.505   4.8154   0.0000   0.0000   16.505   4.8154  ?   ?   105.463   18.290 0.000000 18.29009 
1 1 1   20    5    7 o   43.602   18.854   0.5611   3.9062   0.0000   0.0000   0.5611   3.9062  ?   ?    43.602   18.854 0.000000 18.85408 
1 1 1   20    5    8 o  109.012   17.676   17.515   4.8202   0.0000   0.0000   17.515   4.8202  ?   ?   109.012   17.676 0.000000 17.67561 
1 1 1   20    5    9 o   51.738   20.444   3.0934   4.0525   0.0000   0.0000   3.0934   4.0525  ?   ?    51.738   20.444 0.000000 20.44444 
1 1 1   20    5   10 o   37.257   17.041  -1.5529   3.6864   0.0000   0.0000  -1.5529   3.6864  ?   ?    37.257   17.041 0.000000 17.04096 
1 1 1   20    5   11 o   55.971   21.066   4.2759   4.1530   0.0000   0.0000   4.2759   4.1530  ?   ?    55.971   21.066 0.000000 21.06650 
1 1 1   20    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   14 o  108.395   20.044   18.158   5.4204   0.0000   0.0000   18.158   5.4204  ?   ?   108.395   20.044 0.000000 20.04356 
1 1 1   20    5   15 o   39.148   18.231  -2.5099   4.5034   0.0000   0.0000  -2.5099   4.5034  ?   ?    39.148   18.231 0.000000 18.23072 
1 1 1   20    5   16 o   33.589   16.342  -6.2948   4.5369   0.0000   0.0000  -6.2948   4.5369  ?   ?    33.589   16.342 0.000000 16.34184 
1 1 1   20    5   17 f   78.502   24.017   10.629   5.3392   0.0000   0.0000   10.629   5.3392  ?   ?    78.502   24.017 0.000000 24.01735 
1 1 1   20    5   18 o   96.115   23.532   15.728   5.8117   0.0000   0.0000   15.728   5.8117  ?   ?    96.115   23.532 0.000000 23.53231 
1 1 1   20    6    0 o   66.409   24.265   6.7244   5.4370   6.7680   7.4987   6.6760   7.8946   68.506   27.563   68.739   28.052 -0.2323303 39.32719 
1 1 1   20    6    1 o   55.592   22.724   3.3092   5.1908   5.9750   7.1146   0.2752   7.5902   66.139   26.764   55.703   25.067 10.43592 36.66948 
1 1 1   20    6    2 o  125.731   19.466   23.703   6.1350   21.440   8.5988   26.050   8.7557  109.513   29.605  123.233   28.058 -13.72005 40.78852 
1 1 1   20    6    3 o   44.458   19.764  -0.2607   4.5666   7.8540   6.5318  -8.0200   6.3871   70.548   26.446   40.325   19.566 30.22259 32.89677 
1 1 1   20    6    4 o   68.334   23.437   7.3361   5.0027   1.5960   6.9632   13.460   7.1922   56.303   24.744   87.514   28.036 -31.21092 37.39310 
1 1 1   20    6    5 o   39.860   18.459  -2.3998   4.5186  -0.3028   6.4451  -4.4270   6.3368   51.244   23.076   44.426   20.983 6.818237 31.18960 
1 1 1   20    6    6 o   58.543   21.078   4.9349   4.0811   0.0000   0.0000   4.9349   4.0811  ?   ?    58.543   21.078 0.000000 21.07771 
1 1 1   20    6    7 o   28.228   13.965  -7.6560   3.7758   0.0000   0.0000  -7.6560   3.7758  ?   ?    28.228   13.965 0.000000 13.96456 
1 1 1   20    6    8 o  119.936   17.824   21.243   5.3691   0.0000   0.0000   21.243   5.3691  ?   ?   119.936   17.824 0.000000 17.82429 
1 1 1   20    6    9 o   41.319   18.546  -0.6990   4.1245   0.0000   0.0000  -0.6990   4.1245  ?   ?    41.319   18.546 0.000000 18.54551 
1 1 1   20    6   10 o  103.929   20.487   16.705   5.3192   0.0000   0.0000   16.705   5.3192  ?   ?   103.929   20.487 0.000000 20.48705 
1 1 1   20    6   11 o   83.666   23.059   11.470   5.1580   0.0000   0.0000   11.470   5.1580  ?   ?    83.666   23.059 0.000000 23.05941 
1 1 1   20    6   12 o   68.686   23.384   7.6303   4.9794   0.0000   0.0000   7.6303   4.9794  ?   ?    68.686   23.384 0.000000 23.38365 
1 1 1   20    6   13 o  119.183   19.666   21.757   5.8595   0.0000   0.0000   21.757   5.8595  ?   ?   119.183   19.666 0.000000 19.66593 
1 1 1   20    6   14 o   81.653   23.916   11.268   5.3830   0.0000   0.0000   11.268   5.3830  ?   ?    81.653   23.916 0.000000 23.91553 
1 1 1   20    6   15 o   88.105   24.256   13.257   5.7109   0.0000   0.0000   13.257   5.7109  ?   ?    88.105   24.256 0.000000 24.25608 
1 1 1   20    6   16 o   47.876   21.052   0.8938   5.0463   0.0000   0.0000   0.8938   5.0463  ?   ?    47.876   21.052 0.000000 21.05151 
1 1 1   20    6   17 o   33.053   16.224  -7.5804   4.7714   0.0000   0.0000  -7.5804   4.7714  ?   ?    33.053   16.224 0.000000 16.22352 
1 1 1   20    6   18 o   54.047   22.874   3.2064   5.5290   0.0000   0.0000   3.2064   5.5290  ?   ?    54.047   22.874 0.000000 22.87439 
1 1 1   20    7    0 o   75.660   25.160   9.5051   5.7655   2.6580   8.0328   16.780   8.2800   60.561   26.596   95.347   30.032 -34.78594 40.11609 
1 1 1   20    7    1 o   82.619   24.848   11.400   5.7501   10.750   8.2287   12.020   8.0384   78.339   29.615   81.812   29.564 -3.473152 41.84582 
1 1 1   20    7    2 o   64.713   24.258   6.2655   5.4955   2.1740   7.8090   10.280   7.7352   59.221   26.108   77.187   28.810 -17.96642 38.87975 
1 1 1   20    7    3 o   59.038   23.203   4.5784   5.1933  -8.6220   7.2336   18.620   7.4605   42.790   20.776  103.619   27.383 -60.82893 34.37246 
1 1 1   20    7    4 o   55.801   22.800   3.4448   5.2230  -6.8800   7.0308   16.160   7.8023   43.876   21.100   94.459   29.056 -50.58263 35.90877 
1 1 1   20    7    5 o   40.854   18.933  -2.4315   4.7662  -9.9000   6.8881   4.4290   6.6018   40.233   19.695   61.194   25.382 -20.96153 32.12672 
1 1 1   20    7    6 o   72.726   23.875   8.6261   5.1978   0.9439   7.2721   16.650   7.4321   55.581   24.809   96.825   28.028 -41.24377 37.42999 
1 1 1   20    7    7 o  135.080   17.407   26.787   5.9490   0.0000   0.0000   26.787   5.9490  ?   ?   135.080   17.407 0.000000 17.40706 
1 1 1   20    7    8 o  113.742   20.046   19.810   5.6903   0.0000   0.0000   19.810   5.6903  ?   ?   113.742   20.046 0.000000 20.04608 
1 1 1   20    7    9 o   55.121   22.388   3.4967   4.9984   0.0000   0.0000   3.4967   4.9984  ?   ?    55.121   22.388 0.000000 22.38837 
1 1 1   20    7   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   11 o   56.301   22.596   3.9480   5.0263   0.0000   0.0000   3.9480   5.0263  ?   ?    56.301   22.596 0.000000 22.59623 
1 1 1   20    7   12 o   90.254   23.605   13.567   5.5814   0.0000   0.0000   13.567   5.5814  ?   ?    90.254   23.605 0.000000 23.60513 
1 1 1   20    7   13 o   75.390   24.906   9.7524   5.6528   0.0000   0.0000   9.7524   5.6528  ?   ?    75.390   24.906 0.000000 24.90553 
1 1 1   20    7   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   15 o   68.757   24.969   8.0188   5.7441   0.0000   0.0000   8.0188   5.7441  ?   ?    68.757   24.969 0.000000 24.96867 
1 1 1   20    7   16 o   65.174   24.448   7.0122   5.5838   0.0000   0.0000   7.0122   5.5838  ?   ?    65.174   24.448 0.000000 24.44758 
1 1 1   20    7   17 o   82.754   25.338   12.389   5.9412   0.0000   0.0000   12.389   5.9412  ?   ?    82.754   25.338 0.000000 25.33801 
1 1 1   20    7   18 o   75.488   31.013   12.120   9.7298   0.0000   0.0000   12.120   9.7298  ?   ?    75.488   31.013 0.000000 31.01290 
1 1 1   20    8    0 o   49.597   22.230  -0.0576   5.9045 -13.2600   8.5259   12.110   8.1849   42.968   21.206   81.364   29.766 -38.39558 36.54686 
1 1 1   20    8    1 o   61.735   24.516   5.2146   5.8539   10.870   8.3746  -0.1888   8.1859   78.069   29.789   55.966   25.519 22.10321 39.22548 
1 1 1   20    8    2 o   86.823   25.412   12.833   6.0798   12.700   8.6845   12.960   8.5142   82.555   30.583   83.384   30.381 -0.8290024 43.10786 
1 1 1   20    8    3 o   48.075   21.360   0.1813   5.3267   0.1849   7.5735   0.1778   7.4934   54.955   24.856   54.732   24.742 0.2226334 35.07098 
1 1 1   20    8    4 o   62.889   23.994   5.8134   5.4325   5.9810   7.7942   5.6550   7.5758   66.247   27.537   65.252   27.138 0.9949188 38.66194 
1 1 1   20    8    5 f   41.033   19.109  -2.7296   4.9487   2.6550   7.0032  -8.1000   6.9940   57.881   25.136   42.251   20.494 15.62959 32.43244 
1 1 1   20    8    6 o   41.950   19.365  -2.1006   4.9146  -7.7560   6.8985   3.7280   7.0033   42.230   20.453   60.020   25.586 -17.78967 32.75590 
1 1 1   20    8    7 o   61.606   23.920   5.4359   5.4661  -2.7890   7.7280   13.670   7.7323   50.847   23.747   85.957   29.140 -35.11039 37.59035 
1 1 1   20    8    8 o   95.226   23.675   14.979   5.8148   0.0000   0.0000   14.979   5.8148  ?   ?    95.226   23.675 0.000000 23.67473 
1 1 1   20    8    9 o   67.592   24.135   7.3772   5.3405   0.0000   0.0000   7.3772   5.3405  ?   ?    67.592   24.135 0.000000 24.13507 
1 1 1   20    8   10 o  101.130   23.806   16.954   6.1328   0.0000   0.0000   16.954   6.1328  ?   ?   101.130   23.806 0.000000 23.80634 
1 1 1   20    8   11 o  129.152   20.330   25.846   6.5763   0.0000   0.0000   25.846   6.5763  ?   ?   129.152   20.330 0.000000 20.32958 
1 1 1   20    8   12 o   95.305   24.485   15.456   6.0767   0.0000   0.0000   15.456   6.0767  ?   ?    95.305   24.485 0.000000 24.48472 
1 1 1   20    8   13 o   88.120   25.391   13.638   6.1122   0.0000   0.0000   13.638   6.1122  ?   ?    88.120   25.391 0.000000 25.39090 
1 1 1   20    8   14 o   68.764   25.166   8.0578   5.8518   0.0000   0.0000   8.0578   5.8518  ?   ?    68.764   25.166 0.000000 25.16644 
1 1 1   20    8   15 o   47.987   21.639   0.0439   5.6904   0.0000   0.0000   0.0439   5.6904  ?   ?    47.987   21.639 0.000000 21.63889 
1 1 1   20    8   16 o   59.686   24.066   5.2470   5.7306   0.0000   0.0000   5.2470   5.7306  ?   ?    59.686   24.066 0.000000 24.06644 
1 1 1   20    8   17 o   69.148   25.150   8.5669   5.8313   0.0000   0.0000   8.5669   5.8313  ?   ?    69.148   25.150 0.000000 25.15028 
1 1 1   20    9    0 o   56.683   24.429   2.7437   6.5143   1.9470   9.3766   3.4870   9.0569   61.254   27.685   63.051   27.940 -1.796364 39.33357 
1 1 1   20    9    1 o   74.782   26.303   9.6054   6.3201  -0.4771   8.8769   19.970   9.0002   56.838   26.161  101.502   31.204 -44.66415 40.71968 
1 1 1   20    9    2 o   52.016   22.732   1.4153   5.8051  -0.4652   8.5058   3.0550   7.9424   55.992   25.711   60.343   26.475 -4.350624 36.90504 
1 1 1   20    9    3 o   81.340   26.361   11.587   6.3449   10.150   9.2389   12.870   8.7290   75.692   30.545   82.239   30.622 -6.547585 43.25147 
1 1 1   20    9    4 o   35.916   17.449  -6.8265   5.1236  -0.8314   7.5558 -11.9300   6.9713   52.988   24.295   38.500   19.033 14.48754 30.86281 
1 1 1   20    9    5 o   74.546   25.604   9.4903   5.9717   3.1370   8.4105   15.950   8.4806   61.256   27.046   90.862   30.519 -29.60629 40.77813 
1 1 1   20    9    6 o   66.151   24.935   6.9114   5.8224   9.0650   8.1865   4.7070   8.2826   72.839   28.971   63.767   27.514 9.072662 39.95386 
1 1 1   20    9    7 o   92.282   26.088   14.894   6.5135   0.0798   9.1942   29.820   9.2289   58.038   26.680  129.659   28.275 -71.62070 38.87596 
1 1 1   20    9    8 o   55.231   23.434   2.9373   5.8261   0.2029   8.2567   5.6490   8.2222   56.031   25.580   65.260   27.769 -9.228733 37.75498 
1 1 1   20    9    9 o   99.268   24.309   16.605   6.2008   0.0000   0.0000   16.605   6.2008  ?   ?    99.268   24.309 0.000000 24.30912 
1 1 1   20    9   10 o   77.556   25.493   10.520   5.9256   0.0000   0.0000   10.520   5.9256  ?   ?    77.556   25.493 0.000000 25.49349 
1 1 1   20    9   11 o   36.103   17.606  -7.3570   5.3523   0.0000   0.0000  -7.3570   5.3523  ?   ?    36.103   17.606 0.000000 17.60553 
1 1 1   20    9   12 o  156.087   19.037   37.252   7.5374   0.0000   0.0000   37.252   7.5374  ?   ?   156.087   19.037 0.000000 19.03698 
1 1 1   20    9   13 o   95.811   26.367   16.562   6.7496   0.0000   0.0000   16.562   6.7496  ?   ?    95.811   26.367 0.000000 26.36658 
1 1 1   20    9   14 o  113.495   24.193   21.962   6.8949   0.0000   0.0000   21.962   6.8949  ?   ?   113.495   24.193 0.000000 24.19256 
1 1 1   20    9   15 o  112.566   24.037   21.712   6.7956   0.0000   0.0000   21.712   6.7956  ?   ?   112.566   24.037 0.000000 24.03683 
1 1 1   20    9   16 o   64.556   25.725   7.0622   6.4663   0.0000   0.0000   7.0622   6.4663  ?   ?    64.556   25.725 0.000000 25.72497 
1 1 1   20   10    0 o  103.385   27.092   19.012   7.3427   18.480   10.401   19.540   10.368   92.783   33.613   95.465   33.677 -2.682396 47.58084 
1 1 1   20   10    1 o   71.350   26.896   8.6972   6.7745   8.3210   9.6283   9.0660   9.5335   71.492   30.218   72.857   30.384 -1.364967 42.85169 
1 1 1   20   10    2 o   85.225   27.122   13.118   6.7398   16.500   9.8677   10.160   9.2275   89.006   32.664   75.002   30.435 14.00423 44.64549 
1 1 1   20   10    3 o   77.473   26.714   10.659   6.5036   6.3320   9.1847   15.010   9.2102   67.499   29.049   86.307   31.575 -18.80834 42.90493 
1 1 1   20   10    4 o   48.627   22.119  -0.6659   6.1025   4.6800   8.6370  -5.9950   8.6234   63.848   27.820   49.224   23.591 14.62393 36.47625 
1 1 1   20   10    5 o   69.935   25.839   8.2384   6.1909   3.7320   8.5854   13.120   8.9356   62.077   27.371   81.746   30.871 -19.66892 41.25793 
1 1 1   20   10    6 o   52.877   23.025   1.8764   5.9074   0.8652   8.2758   2.9270   8.4352   56.829   25.814   60.396   26.854 -3.566525 37.24970 
1 1 1   20   10    7 o   74.959   26.766   9.9815   6.5682   0.6839   8.9993   20.580   9.6083   57.994   26.563   99.753   32.447 -41.75889 41.93310 
1 1 1   20   10    8 o   56.643   24.117   3.3272   6.2087   7.6160   8.6729  -1.1810   8.8920   69.002   28.895   55.183   25.671 13.81921 38.65173 
1 1 1   20   10    9 o   85.014   26.385   13.039   6.4178   13.910   8.9112   12.100   9.2505   82.980   30.932   78.351   30.912 4.628860 43.72983 
1 1 1   20   10   10 o   65.418   25.158   6.9482   6.0022   0.0000   0.0000   6.9482   6.0022  ?   ?    65.418   25.158 0.000000 25.15813 
1 1 1   20   10   11 o  140.603   20.571   31.149   7.2703   0.0000   0.0000   31.149   7.2703  ?   ?   140.603   20.571 0.000000 20.57080 
1 1 1   20   10   12 o   50.963   22.800   0.8876   6.1804   0.0000   0.0000   0.8876   6.1804  ?   ?    50.963   22.800 0.000000 22.79996 
1 1 1   20   10   13 o   97.227   26.160   17.181   6.7328   0.0000   0.0000   17.181   6.7328  ?   ?    97.227   26.160 0.000000 26.15994 
1 1 1   20   10   14 o   90.404   27.618   15.738   7.0633   0.0000   0.0000   15.738   7.0633  ?   ?    90.404   27.618 0.000000 27.61850 
1 1 1   20   10   15 f   59.603   24.860   5.1758   6.3839   0.0000   0.0000   5.1758   6.3839  ?   ?    59.603   24.860 0.000000 24.86039 
1 1 1   20   10   16 o   87.302   27.843   15.265   7.0998   0.0000   0.0000   15.265   7.0998  ?   ?    87.302   27.843 0.000000 27.84297 
1 1 1   20   11    0 o   43.600   21.615 -14.3300   9.2261 -14.3300   9.2261   0.0000   0.0000   43.600   21.615  ?   ?  0.000000 21.61538 
1 1 1   20   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11    2 o   46.184   22.410  -8.0690   8.3805   0.0000   0.0000  -8.0690   8.3805  ?   ?    46.184   22.410 0.000000 22.40956 
1 1 1   20   11    3 o   67.862   29.433   6.7280   9.5779   0.0000   0.0000   6.7280   9.5779  ?   ?    67.862   29.433 0.000000 29.43343 
1 1 1   20   11    4 o   63.180   25.717   5.8833   6.6133   6.5360   9.4937   5.2680   9.2177   67.402   29.269   64.980   28.515 2.421585 40.86285 
1 1 1   20   11    5 o   46.884   21.759  -1.9903   6.3295  -3.4960   9.1416  -0.6038   8.7723   52.813   25.022   55.444   25.691 -2.631126 35.86268 
1 1 1   20   11    6 o   66.459   26.225   7.2012   6.6596   5.4440   9.4268   8.9520   9.4095   65.332   28.749   71.523   30.032 -6.190918 41.57423 
1 1 1   20   11    7 o   45.815   21.406  -2.5515   6.2903  -7.6510   8.8437   2.6700   8.9489   47.705   23.118   60.205   27.144 -12.50003 35.65403 
1 1 1   20   11    8 o   49.538   22.507  -0.1760   6.2946   1.6010   8.6874  -2.1400   9.1332   58.017   26.390   54.054   25.427 3.962418 36.64647 
1 1 1   20   11    9 o   53.988   23.714   2.1494   6.3882  -0.7281   9.1960   4.8330   8.8808   55.729   25.986   63.175   27.848 -7.446705 38.08853 
1 1 1   20   11   10 o   75.337   31.075   11.440   9.8170   0.0000   0.0000   11.440   9.8170  ?   ?    75.337   31.075 0.000000 31.07461 
1 1 1   20   11   11 o   43.774   20.648  -3.2561   6.0995   0.0000   0.0000  -3.2561   6.0995  ?   ?    43.774   20.648 0.000000 20.64822 
1 1 1   20   11   12 o   68.897   26.537   8.5720   6.6858   0.0000   0.0000   8.5720   6.6858  ?   ?    68.897   26.537 0.000000 26.53700 
1 1 1   20   11   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12    0 o   89.545   28.842   15.647   7.6038   4.6670   10.800   26.440   10.707   65.088   29.537  109.480   34.098 -44.39135 45.11183 
1 1 1   20   12    1 o   80.928   28.590   12.716   7.4748   23.220   11.014   3.7470   10.177  100.033   34.749   63.164   28.667 36.86869 45.04729 
1 1 1   20   12    2 o   52.340   23.783   0.3560   7.0323   3.6550   10.375  -2.4480   9.5648   63.301   28.812   54.498   25.753 8.802994 38.64331 
1 1 1   20   12    3 o   67.223   27.049   7.5853   7.2228   11.120   10.453   4.3560   9.9916   74.934   31.569   63.777   28.724 11.15705 42.68121 
1 1 1   20   12    4 o   53.996   25.456  -2.2450   9.2475  -2.2450   9.2475   0.0000   0.0000   53.996   25.456  ?   ?  0.000000 25.45585 
1 1 1   20   12    5 o   40.738   20.195 -12.9500   8.0496 -12.9500   8.0496   0.0000   0.0000   40.738   20.195  ?   ?  0.000000 20.19537 
1 1 1   20   12    6 o   45.906   22.198  -6.8430   8.0444  -6.8430   8.0444   0.0000   0.0000   45.906   22.198  ?   ?  0.000000 22.19797 
1 1 1   20   12    7 o   61.342   27.562   3.7200   9.1352   3.7200   9.1352   0.0000   0.0000   61.342   27.562  ?   ?  0.000000 27.56189 
1 1 1   20   12    8 o   41.519   20.588 -13.0700   8.3882 -13.0700   8.3882   0.0000   0.0000   41.519   20.588  ?   ?  0.000000 20.58844 
1 1 1   20   12    9 o   47.165   23.002  -8.4230   9.1416  -8.4230   9.1416   0.0000   0.0000   47.165   23.002  ?   ?  0.000000 23.00166 
1 1 1   20   12   10 o   56.027   25.882   0.7790   8.8032   0.7790   8.8032   0.0000   0.0000   56.027   25.882  ?   ?  0.000000 25.88199 
1 1 1   20   12   11 o   63.963   28.960   5.3670   10.312   0.0000   0.0000   5.3670   10.312  ?   ?    63.963   28.960 0.000000 28.96007 
1 1 1   20   12   12 o   83.225   28.368   14.132   7.3287   0.0000   0.0000   14.132   7.3287  ?   ?    83.225   28.368 0.000000 28.36840 
1 1 1   20   12   13 o   70.002   27.306   9.5813   7.1490   0.0000   0.0000   9.5813   7.1490  ?   ?    70.002   27.306 0.000000 27.30630 
1 1 1   20   12   14 o   45.460   21.452  -2.4773   6.5956   0.0000   0.0000  -2.4773   6.5956  ?   ?    45.460   21.452 0.000000 21.45199 
1 1 1   20   13    0 o   71.490   27.641   9.6084   7.2749   4.9190   10.161   14.540   10.420   63.844   28.841   80.125   32.402 -16.28064 43.37835 
1 1 1   20   13    1 o   79.741   29.027   12.839   7.7699  -4.0070   10.971   29.790   11.005   55.051   26.444  115.221   34.314 -60.17026 43.32103 
1 1 1   20   13    2 o   84.078   29.430   14.465   7.9076   12.810   11.132   16.150   11.235   76.418   32.406   82.354   33.520 -5.935646 46.62370 
1 1 1   20   13    3 o   78.918   28.696   12.452   7.5909   0.1289   10.897   24.070   10.580   58.950   27.743  101.836   34.089 -42.88614 43.95123 
1 1 1   20   13    4 o   87.480   28.953   15.408   7.6383   11.830   10.476   19.470   11.161   74.850   31.572   88.999   34.285 -14.14883 46.60718 
1 1 1   20   13    5 o   59.586   25.728   4.5165   7.2519   8.7060   10.063  -0.0106   10.460   69.350   30.124   57.974   27.251 11.37667 40.62154 
1 1 1   20   13    6 o   52.156   23.490   1.1702   6.6815  -2.1290   9.1109   5.0090   9.8279   53.044   25.086   63.318   28.505 -10.27367 37.97219 
1 1 1   20   13    7 f   67.767   26.803   8.3190   6.9715   7.2210   9.3769   9.6760   10.424   66.221   28.917   70.608   30.666 -4.386703 42.14956 
1 1 1   20   13    8 o   61.572   25.689   5.8743   6.8193   4.5200   9.2134   7.5150   10.141   61.548   27.665   66.838   29.595 -5.290138 40.51161 
1 1 1   20   13    9 o   79.474   28.434   12.941   7.4160   27.780   10.330  -2.8430   10.653  110.894   33.294   54.756   26.237 56.13799 42.38925 
1 1 1   20   13   10 o   61.870   25.787   6.1973   6.8618  -0.6709   9.1440   15.050   10.381   54.066   25.435   79.105   32.213 -25.03884 41.04399 
1 1 1   20   13   11 o   67.683   26.978   8.7493   7.1135  -2.2480   9.5478   22.470   10.665   52.819   25.180   93.964   34.037 -41.14505 42.33886 
1 1 1   20   13   12 o   62.526   26.162   6.7404   7.1018   0.0000   0.0000   6.7404   7.1018  ?   ?    62.526   26.162 0.000000 26.16237 
1 1 1   20   13   13 o   68.889   27.843   9.7807   7.6896   0.0000   0.0000   9.7807   7.6896  ?   ?    68.889   27.843 0.000000 27.84265 
1 1 1   20   14    0 o   60.168   17.856   5.7272   2.9840   6.3300   10.403   5.6732   3.1148   64.901   29.263   59.696   18.358 5.204845 34.54460 
1 1 1   20   14    1 o   40.714   17.114   1.2559   3.0608   6.9140   11.175   0.7970   3.1825   66.189   30.040   39.768   17.107 26.42051 34.56930 
1 1 1   20   14    2 o   53.633   24.676   0.7088   7.8870 -16.6900   11.074   18.620   11.236   45.585   22.773   85.295   33.935 -39.71033 40.86777 
1 1 1   20   14    3 o   72.248   28.832   10.585   8.1336   10.830   11.275   10.320   11.744   71.621   31.481   70.863   31.586 0.7580872 44.59481 
1 1 1   20   14    4 o   83.083   29.642   14.781   8.0538   12.860   11.170   16.860   11.623   74.714   32.093   81.107   33.663 -6.393440 46.50941 
1 1 1   20   14    5 o   68.721   27.517   9.0384   7.4347   13.710   10.362   4.0810   10.674   76.642   31.795   61.951   28.577 14.69062 42.74971 
1 1 1   20   14    6 o   49.520   22.870  -0.3545   6.8660  -6.2510   9.9100   5.0890   9.5216   49.986   24.281   62.035   27.981 -12.04856 37.04694 
1 1 1   20   14    7 o   44.421   21.114  -3.4497   6.6124  -6.4940   9.0591   0.0219   9.6740   47.762   23.204   55.547   26.141 -7.784683 34.95388 
1 1 1   20   14    8 o   53.034   23.965   1.7957   7.0220   3.8590   9.5803  -0.5997   10.322   59.931   27.434   55.698   26.447 4.232899 38.10556 
1 1 1   20   14    9 o   56.688   25.011   3.8383   7.1799   1.6060   9.9605   6.2530   10.359   57.309   26.828   63.491   28.856 -6.181664 39.40073 
1 1 1   20   14   10 o   65.481   27.037   8.1988   7.4420   10.430   10.689   6.1000   10.367   69.069   30.493   62.890   28.693 6.178459 41.87010 
1 1 1   20   14   11 f   55.915   24.728   3.8180   7.0587  -2.5050   9.4895   11.650   10.561   51.562   24.721   70.424   30.723 -18.86222 39.43378 
1 1 1   20   14   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15    0 o   26.521   12.909  -4.1605   2.8396   0.6211   10.384  -4.5470   2.9521   56.745   26.820   26.649   13.013 30.09562 29.81029 
1 1 1   20   15    1 o  104.160   14.098   15.945   3.7061   15.930   11.828   15.947   3.9026   77.380   33.125  103.381   15.012 -26.00063 36.36798 
1 1 1   20   15    2 o   52.360   17.259   4.2555   2.7151  -0.2981   11.236   4.5378   2.7980   56.977   27.204   53.792   17.510 3.184467 32.35246 
1 1 1   20   15    3 o   91.520   30.073   18.482   8.2457   10.030   11.649   26.970   11.674   68.761   30.988   99.265   35.658 -30.50364 47.24117 
1 1 1   20   15    4 o   44.982   21.629  -4.5940   7.3821   8.0470   10.687 -16.1300   10.209   65.851   29.678   43.283   21.659 22.56739 36.74121 
1 1 1   20   15    5 o   39.523   19.414  -8.4989   6.8750 -18.7200   9.9257   0.9266   9.5316   41.145   20.695   55.648   26.112 -14.50236 33.31851 
1 1 1   20   15    6 o   59.975   25.888   5.6747   7.3387   6.3320   10.405   5.0240   10.352   63.053   28.759   61.336   28.239 1.716553 40.30495 
1 1 1   20   15    7 o   52.455   23.901   1.6848   7.1648   3.1080   9.8789   0.1054   10.407   58.310   27.103   55.643   26.459 2.667374 37.87731 
1 1 1   20   15    8 o   47.440   22.414  -1.8372   7.2408   11.430   9.9950 -16.4900   10.504   70.041   30.223   43.358   21.736 26.68282 37.22762 
1 1 1   20   15    9 f   45.705   21.809  -3.0304   7.1986  -7.7320   9.7581   2.5830   10.663   47.186   23.169   57.936   27.320 -10.75014 35.82105 
1 1 1   20   15   10 o   49.342   23.123  -0.3865   7.4342   8.9680   10.523  -9.7090   10.505   65.153   29.399   47.028   23.270 18.12531 37.49348 
1 1 1   20   16    0 o   38.874   17.275   0.2316   3.4855   7.9300   11.027  -0.6229   3.6739   64.252   29.419   37.647   17.139 26.60548 34.04762 
1 1 1   20   16    1 o   40.799   17.497   1.1728   3.3112   20.900   11.387  -0.6493   3.4608   84.396   33.962   36.620   16.657 47.77552 37.82684 
1 1 1   20   16    2 o   40.626   17.199   1.3431   3.1269   17.390   11.898   0.1525   3.2409   77.113   33.122   37.593   16.684 39.51931 37.08671 
1 1 1   20   16    3 o   90.972   15.736   12.698   3.5739  -0.2193   11.285   14.138   3.7679   55.769   26.797   96.136   15.671 -40.36663 31.04256 
1 1 1   20   16    4 o   88.523   14.854   11.849   3.2853  -4.7490   11.752   13.256   3.4218   52.664   25.768   94.000   14.521 -41.33573 29.57831 
1 1 1   20   16    5 o   73.559   28.853   12.549   8.0162   10.060   11.415   14.970   11.260   66.518   30.255   73.579   31.913 -7.061707 43.97504 
1 1 1   20   16    6 o   64.584   26.925   8.5215   7.4827   2.9530   10.189   15.040   11.024   57.276   26.915   73.641   31.759 -16.36430 41.62957 
1 1 1   20   16    7 o  101.262   29.857   23.047   8.3650   13.640   11.707   32.860   11.957   70.441   31.457  106.027   36.234 -35.58658 47.98370 
1 1 1   20   16    8 o   44.315   21.368  -4.0419   7.3255  -4.0920   10.050  -3.9850   10.701   49.849   24.268   50.966   24.862 -1.116562 34.74303 
1 1 1   20   17    0 o   48.121   20.769   2.5986   4.7221 -11.0300   11.346   5.4537   5.1932   46.945   23.389   56.259   22.831 -9.313770 32.68455 
1 1 1   20   17    1 o   75.344   23.988   11.173   5.2715   0.2616   10.890   14.513   6.0245   54.378   26.178   84.496   25.439 -30.11804 36.50216 
1 1 1   20   17    2 o  107.927   15.802   18.047   4.2868   29.260   12.983   16.675   4.5415   90.924   36.378  101.387   17.950 -10.46303 40.56532 
1 1 1   20   17    3 o  148.887   12.740   32.338   4.8660  -0.5950   13.479   37.274   5.2179   56.058   27.465  159.949   12.698 -103.8916 30.25811 
1 1 1   20   17    4 o  101.994   15.486   16.064   3.9627   13.300   11.802   16.415   4.2069   68.342   30.959  102.086   16.470 -33.74391 35.06702 
1 1 1   20   17    5 o   29.013   13.731  -2.1870   2.7380  -8.3800   10.463  -1.7318   2.8368   46.810   23.173   30.558   14.309 16.25227 27.23472 
1 1 1   20   17    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18    0 f   43.477   19.329   1.3357   4.3682   0.0000   0.0000   1.3357   4.3682  ?   ?    43.477   19.329 0.000000 19.32863 
1 1 1   20   18    1 o   71.940   26.432   11.942   6.4641   0.0000   0.0000   11.942   6.4641  ?   ?    71.940   26.432 0.000000 26.43192 
1 1 1   21    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    0 o   48.434   16.677   3.3025   2.5343   0.0030   3.9515   5.6080   3.3032   41.829   18.500   60.394   18.960 -18.56521 26.48996 
1 1 1   21    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    0 f  174.807   12.827   42.701   5.7678   22.980   8.1005   62.980   8.2144  113.129   27.834  209.369   15.251 -96.23972 31.73815 
1 1 1   21    2    1 o   91.816   15.719   12.361   3.6040   8.2700   5.3587   15.740   4.8700   70.288   24.248  101.050   19.309 -30.76185 30.99706 
1 1 1   21    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    0 o  144.436   14.993   30.018   5.5277   9.3630   7.7860   51.010   7.8492   72.761   28.465  186.821   16.385 -114.0599 32.84436 
1 1 1   21    3    1 o   87.201   19.049   11.781   4.1823  -0.4303   5.9909   23.390   5.8413   48.562   22.022  124.025   18.769 -75.46330 28.93543 
1 1 1   21    3    2 o   36.988   16.426  -0.3243   3.1461  -1.9000   4.9019   0.7795   4.1026   41.906   19.343   44.367   19.253 -2.461510 27.29164 
1 1 1   21    3    3 o  101.070   14.594   14.724   3.7100   0.0000   0.0000   14.724   3.7100  ?   ?   101.070   14.594 0.000000 14.59373 
1 1 1   21    3    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4    0 o   75.079   27.726   10.240   7.1269   10.240   7.1269   0.0000   0.0000   75.079   27.726  ?   ?  0.000000 27.72630 
1 1 1   21    4    1 o   72.569   26.126   9.2100   6.2699   0.0000   0.0000   9.2100   6.2699  ?   ?    72.569   26.126 0.000000 26.12562 
1 1 1   21    4    2 o  152.966   14.277   33.383   5.5915   20.330   7.8113   47.100   8.0076  105.234   28.120  177.763   17.623 -72.52908 33.18554 
1 1 1   21    4    3 o   86.930   19.529   11.838   4.2900   12.620   6.3712   11.190   5.8025   83.766   26.338   79.918   25.136 3.847321 36.40697 
1 1 1   21    4    4 o   40.430   17.352   0.6956   3.2609   0.0000   0.0000   0.6956   3.2609  ?   ?    40.430   17.352 0.000000 17.35230 
1 1 1   21    4    5 o   57.768   19.120   5.1068   3.3310   0.0000   0.0000   5.1068   3.3310  ?   ?    57.768   19.120 0.000000 19.12011 
1 1 1   21    4    6 o   37.522   16.225   0.3575   2.8927   0.0000   0.0000   0.3575   2.8927  ?   ?    37.522   16.225 0.000000 16.22495 
1 1 1   21    4    7 o   93.818   15.729   12.980   3.6872   0.0000   0.0000   12.980   3.6872  ?   ?    93.818   15.729 0.000000 15.72942 
1 1 1   21    4    8 o   66.543   18.279   6.9117   3.2475   0.0000   0.0000   6.9117   3.2475  ?   ?    66.543   18.279 0.000000 18.27923 
1 1 1   21    4    9 o  156.807   12.553   34.519   5.0559   0.0000   0.0000   34.519   5.0559  ?   ?   156.807   12.553 0.000000 12.55269 
1 1 1   21    4   10 o   35.976   15.798   0.0116   2.8333   0.0000   0.0000   0.0116   2.8333  ?   ?    35.976   15.798 0.000000 15.79765 
1 1 1   21    4   11 o   63.344   19.347   6.4182   3.4663   0.0000   0.0000   6.4182   3.4663  ?   ?    63.344   19.347 0.000000 19.34676 
1 1 1   21    4   12 o   95.640   17.313   13.995   4.1311   0.0000   0.0000   13.995   4.1311  ?   ?    95.640   17.313 0.000000 17.31279 
1 1 1   21    4   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5    0 o   50.027   21.149   2.2076   4.7177  -0.2594   6.8417   4.4440   6.5141   51.131   23.321   59.500   24.986 -8.368744 34.17802 
1 1 1   21    5    1 o   64.121   22.872   6.6367   4.7948   5.1160   7.0305   7.9590   6.5560   61.800   25.955   68.522   26.307 -6.721500 36.95553 
1 1 1   21    5    2 o   48.710   21.912   0.1241   5.7935   0.1241   5.7935   0.0000   0.0000   48.710   21.912  ?   ?  0.000000 21.91174 
1 1 1   21    5    3 o   92.286   27.417   15.730   7.0324   0.0000   0.0000   15.730   7.0324  ?   ?    92.286   27.417 0.000000 27.41711 
1 1 1   21    5    4 o  112.309   26.188   22.190   7.4783   0.0000   0.0000   22.190   7.4783  ?   ?   112.309   26.188 0.000000 26.18816 
1 1 1   21    5    5 o  139.893   15.119   28.362   5.3914   0.0000   0.0000   28.362   5.3914  ?   ?   139.893   15.119 0.000000 15.11881 
1 1 1   21    5    6 o   34.061   15.948  -2.4409   3.5223   0.0000   0.0000  -2.4409   3.5223  ?   ?    34.061   15.948 0.000000 15.94763 
1 1 1   21    5    7 o   62.981   20.872   6.3684   3.9690   0.0000   0.0000   6.3684   3.9690  ?   ?    62.981   20.872 0.000000 20.87216 
1 1 1   21    5    8 o   68.796   21.250   7.7904   4.1684   0.0000   0.0000   7.7904   4.1684  ?   ?    68.796   21.250 0.000000 21.25010 
1 1 1   21    5    9 o   79.427   20.647   10.297   4.2872   0.0000   0.0000   10.297   4.2872  ?   ?    79.427   20.647 0.000000 20.64704 
1 1 1   21    5   10 o  139.969   14.794   28.487   5.2824   0.0000   0.0000   28.487   5.2824  ?   ?   139.969   14.794 0.000000 14.79376 
1 1 1   21    5   11 o   34.892   16.197  -1.8698   3.5098   0.0000   0.0000  -1.8698   3.5098  ?   ?    34.892   16.197 0.000000 16.19715 
1 1 1   21    5   12 o   84.956   21.017   11.989   4.5995   0.0000   0.0000   11.989   4.5995  ?   ?    84.956   21.017 0.000000 21.01673 
1 1 1   21    6    0 o  148.756   17.962   33.451   6.7810   23.270   9.3692   44.650   9.8267  106.677   31.636  163.762   23.867 -57.08501 39.62920 
1 1 1   21    6    1 o   92.484   23.510   14.530   5.6442   16.700   8.1190   12.500   7.8519   91.586   29.828   79.952   29.168 11.63419 41.71954 
1 1 1   21    6    2 o   47.420   20.629   1.2145   4.7329  -4.2760   6.6934   6.7050   6.6934   44.738   21.258   64.908   26.067 -20.16988 33.63598 
1 1 1   21    6    3 o  126.237   18.592   24.395   5.8975   20.840   8.0976   28.410   8.6062  104.615   28.917  125.997   27.169 -21.38260 39.67767 
1 1 1   21    6    4 o   72.856   23.249   9.0550   4.9497   18.360   7.0498   0.0085   6.9511  100.709   26.621   51.605   23.525 49.10415 35.52582 
1 1 1   21    6    5 o   46.342   21.178  -0.8256   5.6775  -0.8256   5.6775   0.0000   0.0000   46.342   21.178  ?   ?  0.000000 21.17810 
1 1 1   21    6    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   12 o   41.974   20.184  -5.1350   6.4304   0.0000   0.0000  -5.1350   6.4304  ?   ?    41.974   20.184 0.000000 20.18351 
1 1 1   21    7    0 o   60.432   23.960   5.5234   5.5833   8.0320   7.7622   2.8340   8.0370   68.172   27.818   58.340   26.057 9.832027 38.11584 
1 1 1   21    7    1 o   42.090   19.603  -2.2646   5.2093  -1.8160   7.4759  -2.6880   7.2627   50.104   23.385   48.346   22.720 1.758408 32.60466 
1 1 1   21    7    2 o   40.139   18.806  -2.7191   4.9124  -2.8220   7.1092  -2.6250   6.7958   47.716   22.441   47.041   22.065 0.6746902 31.47213 
1 1 1   21    7    3 f   43.706   19.835  -0.6331   4.8716   3.9710   6.9474  -5.0870   6.8331   58.563   25.234   44.008   21.067 14.55479 32.87225 
1 1 1   21    7    4 o   73.486   24.028   9.4512   5.2664   8.7340   7.5527   10.130   7.3473   69.689   27.792   73.331   27.921 -3.641785 39.39544 
1 1 1   21    7    5 o   47.868   21.053   1.0874   5.0497  -7.0860   7.1701   9.1310   7.1129   42.851   20.777   70.664   27.328 -27.81311 34.32970 
1 1 1   21    7    6 o   69.715   23.352   8.3819   4.9651   7.9460   6.6716   8.9230   7.4334   67.423   26.357   69.907   27.668 -2.483719 38.21299 
1 1 1   21    7    7 o  114.397   19.563   20.630   5.5886   0.0000   0.0000   20.630   5.5886  ?   ?   114.397   19.563 0.000000 19.56297 
1 1 1   21    7    8 o   82.076   22.901   11.633   5.0535   0.0000   0.0000   11.633   5.0535  ?   ?    82.076   22.901 0.000000 22.90102 
1 1 1   21    7    9 o  102.495   21.663   17.428   5.5713   0.0000   0.0000   17.428   5.5713  ?   ?   102.495   21.663 0.000000 21.66289 
1 1 1   21    7   10 o   94.202   23.061   15.349   5.5819   0.0000   0.0000   15.349   5.5819  ?   ?    94.202   23.061 0.000000 23.06140 
1 1 1   21    7   11 o   88.032   24.066   13.923   5.6448   0.0000   0.0000   13.923   5.6448  ?   ?    88.032   24.066 0.000000 24.06554 
1 1 1   21    8    0 o   57.079   23.943   4.1876   5.9709   1.1450   8.4617   7.2050   8.4266   56.095   25.716   66.164   28.132 -10.06905 38.11456 
1 1 1   21    8    1 o   51.131   22.386   1.8635   5.6520   7.8710   8.0347  -4.0210   7.9520   67.364   27.976   48.343   23.028 19.02147 36.23470 
1 1 1   21    8    2 o   68.858   25.250   8.4232   5.8949   5.8410   8.1822   11.210   8.5001   63.381   27.347   74.724   29.583 -11.34304 40.28703 
1 1 1   21    8    3 o  104.456   23.288   18.571   6.1405   12.860   8.6661   24.330   8.7019   78.415   30.210  111.103   29.675 -32.68779 42.34697 
1 1 1   21    8    4 o   61.295   23.878   6.0042   5.4610   2.1300   7.4786   10.430   7.9933   55.639   24.973   73.048   28.761 -17.40862 38.09000 
1 1 1   21    8    5 o   45.634   20.565   0.0141   5.1298   0.9580   7.0657  -1.0380   7.4597   52.735   23.915   50.667   23.551 2.068016 33.56488 
1 1 1   21    8    6 o   54.483   22.567   3.7715   5.2083  -2.5280   7.2578   10.460   7.4785   48.041   22.619   73.174   28.096 -25.13284 36.06957 
1 1 1   21    8    7 o   69.104   27.945   8.9560   7.7506   0.0000   0.0000   8.9560   7.7506  ?   ?    69.104   27.945 0.000000 27.94479 
1 1 1   21    8    8 o   73.951   24.460   9.9536   5.4516   0.0000   0.0000   9.9536   5.4516  ?   ?    73.951   24.460 0.000000 24.45961 
1 1 1   21    8    9 f   39.822   18.791  -2.9783   5.0597   0.0000   0.0000  -2.9783   5.0597  ?   ?    39.822   18.791 0.000000 18.79058 
1 1 1   21    8   10 o   63.989   24.038   7.1923   5.4021   0.0000   0.0000   7.1923   5.4021  ?   ?    63.989   24.038 0.000000 24.03796 
1 1 1   21    9    0 o   56.883   24.141   4.1451   6.1856  -3.5280   8.7359   11.860   8.7596   50.448   24.060   75.131   29.941 -24.68300 38.40963 
1 1 1   21    9    1 o   71.971   26.249   9.7354   6.3582   9.5940   9.0690   9.8720   8.9167   70.255   29.491   70.832   29.449 -0.5773621 41.67647 
1 1 1   21    9    2 o   87.227   26.730   14.546   6.6102   12.920   9.3074   16.200   9.3896   76.955   30.797   84.371   31.692 -7.415382 44.19078 
1 1 1   21    9    3 o   51.149   22.391   2.0464   5.6528   5.1340   7.9228  -1.1550   8.0676   61.142   26.643   51.670   24.174 9.472168 35.97553 
1 1 1   21    9    4 o   32.165   15.910  -8.6999   4.8964  -7.3990   6.8611 -10.0500   6.9897   41.093   20.015   39.081   19.271 2.011826 27.78458 
1 1 1   21    9    5 o   99.137   24.503   17.526   6.2563   17.970   8.8849   17.090   8.8110   89.847   31.210   87.670   31.033 2.177208 44.01243 
1 1 1   21    9    6 o   60.671   24.040   5.9880   5.6176  -2.3870   7.9814   14.210   7.9082   49.696   23.496   81.837   29.354 -32.14079 37.59932 
1 1 1   21    9    7 o   50.953   22.268   2.1965   5.5701   0.8213   7.7371   3.6760   8.0253   53.268   24.483   58.203   26.014 -4.935818 35.72337 
1 1 1   21    9    8 o   73.661   24.757   10.123   5.5809   0.0000   0.0000   10.123   5.5809  ?   ?    73.661   24.757 0.000000 24.75727 
1 1 1   21    9    9 o   51.936   22.472   2.7964   5.5558   0.0000   0.0000   2.7964   5.5558  ?   ?    51.936   22.472 0.000000 22.47163 
1 1 1   21   10    0 o   42.370   20.170  -3.7523   6.0801  -7.3900   8.4417   0.1690   8.7646   45.501   22.171   54.268   25.326 -8.767239 33.65949 
1 1 1   21   10    1 o   62.789   25.653   6.6932   6.6110   5.6400   9.6113   7.6390   9.1079   62.866   28.256   65.755   28.611 -2.888481 40.21209 
1 1 1   21   10    2 o  106.860   26.361   21.353   7.2516   22.600   10.371   20.160   10.143   95.815   33.695   90.590   33.137 5.225128 47.25848 
1 1 1   21   10    3 o   71.651   26.507   9.9691   6.5195   8.3820   9.4339   11.420   9.0199   67.036   29.144   72.869   29.890 -5.832245 41.74606 
1 1 1   21   10    4 o   54.069   23.350   3.3093   5.9758  -3.5740   8.7017   9.4530   8.2209   49.737   23.801   68.998   28.446 -19.26104 37.08936 
1 1 1   21   10    5 o   53.496   23.189   3.1184   5.9385   4.8730   8.4424   1.4000   8.3549   60.297   26.835   54.930   25.319 5.367393 36.89414 
1 1 1   21   10    6 o  103.255   25.496   19.755   6.7785   22.680   9.4680   16.680   9.7089   98.826   32.213   82.675   31.941 16.15146 45.36354 
1 1 1   21   10    7 o  104.428   25.670   20.361   6.8948   14.700   9.7860   25.940   9.7157   77.836   31.427  106.339   32.371 -28.50366 45.11660 
1 1 1   21   10    8 o   53.469   23.230   3.2690   5.9855  -3.8440   8.5453   10.120   8.3865   48.586   23.338   69.351   28.674 -20.76519 36.97090 
1 1 1   21   11    0 o   57.620   26.891   2.1450   9.8824   2.1450   9.8824   0.0000   0.0000   57.620   26.891  ?   ?  0.000000 26.89110 
1 1 1   21   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11    2 o   62.117   28.103   5.7700   9.6896   0.0000   0.0000   5.7700   9.6896  ?   ?    62.117   28.103 0.000000 28.10284 
1 1 1   21   11    3 o  180.802   27.987   62.870   12.684   0.0000   0.0000   62.870   12.684  ?   ?   180.802   27.987 0.000000 27.98731 
1 1 1   21   11    4 o   57.251   24.513   4.7204   6.4795  -4.2680   9.0768   14.060   9.2524   49.272   23.765   76.748   30.709 -27.47636 38.83044 
1 1 1   21   11    5 o   37.701   18.393  -6.7060   5.8611 -12.9600   8.3234  -0.5548   8.2547   40.295   20.068   51.511   24.212 -11.21584 31.44773 
1 1 1   21   11    6 o   40.199   19.364  -4.8029   5.9813  -4.3360   8.3336  -5.2990   8.5900   47.350   22.821   47.006   22.780 0.3434486 32.24493 
1 1 1   21   12    0 o   95.099   28.299   19.098   7.4875   14.970   10.828   22.880   10.365   74.835   31.856   92.348   33.539 -17.51229 46.25659 
1 1 1   21   12    1 o   50.821   23.203   1.3369   6.7943   9.3370   9.7550  -6.2000   9.4684   66.306   29.209   47.834   23.346 18.47164 37.39249 
1 1 1   21   12    2 o   87.644   28.430   16.649   7.3785   15.910   10.464   17.380   10.406   77.043   31.956   80.006   32.370 -2.962883 45.48610 
1 1 1   21   12    3 o   49.322   22.658   0.6749   6.6152  -2.9450   9.4005   4.2260   9.3107   50.529   24.324   58.527   26.884 -7.998264 36.25500 
1 1 1   21   12    4 o   58.445   26.795   4.3350   9.1889   4.3350   9.1889   0.0000   0.0000   58.445   26.795  ?   ?  0.000000 26.79545 
1 1 1   21   13    0 o   73.004   28.513   12.571   7.8022   9.8720   11.718   14.720   10.457   65.147   30.012   72.922   31.179 -7.775223 43.27682 
1 1 1   21   13    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2    0 o   32.036   15.408  -3.9930   3.7518  -3.9930   3.7518   0.0000   0.0000   32.036   15.408  ?   ?  0.000000 15.40777 
1 1 1   22    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
#END OF REFLECTIONS
